data_nef_c19554_2mfl save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19550 PDB 2KHI PDB 2KHJ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -2 GLY start . false 2 A -1 SER middle . . 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 THR middle . . 6 A 3 GLU middle . . 7 A 4 SER middle . . 8 A 5 PHE middle . . 9 A 6 ALA middle . . 10 A 7 GLN middle . . 11 A 8 LEU middle . . 12 A 9 PHE middle . . 13 A 10 GLU middle . . 14 A 11 GLU middle . . 15 A 12 SER middle . . 16 A 13 LEU middle . . 17 A 14 LYS middle . . 18 A 15 GLU middle . . 19 A 16 ILE middle . . 20 A 17 GLU middle . . 21 A 18 THR middle . . 22 A 19 ARG middle . . 23 A 20 PRO middle . false 24 A 21 GLY middle . false 25 A 22 SER middle . . 26 A 23 ILE middle . . 27 A 24 VAL middle . . 28 A 25 ARG middle . . 29 A 26 GLY middle . false 30 A 27 VAL middle . . 31 A 28 VAL middle . . 32 A 29 VAL middle . . 33 A 30 ALA middle . . 34 A 31 ILE middle . . 35 A 32 ASP middle . . 36 A 33 LYS middle . . 37 A 34 ASP middle . . 38 A 35 VAL middle . . 39 A 36 VAL middle . . 40 A 37 LEU middle . . 41 A 38 VAL middle . . 42 A 39 ASP middle . . 43 A 40 ALA middle . . 44 A 41 GLY middle . false 45 A 42 LEU middle . . 46 A 43 LYS middle . . 47 A 44 SER middle . . 48 A 45 GLU middle . . 49 A 46 SER middle . . 50 A 47 ALA middle . . 51 A 48 ILE middle . . 52 A 49 PRO middle . false 53 A 50 ALA middle . . 54 A 51 GLU middle . . 55 A 52 GLN middle . . 56 A 53 PHE middle . . 57 A 54 LYS middle . . 58 A 55 ASN middle . . 59 A 56 ALA middle . . 60 A 57 GLN middle . . 61 A 58 GLY middle . false 62 A 59 GLU middle . . 63 A 60 LEU middle . . 64 A 61 GLU middle . . 65 A 62 ILE middle . . 66 A 63 GLN middle . . 67 A 64 VAL middle . . 68 A 65 GLY middle . false 69 A 66 ASP middle . . 70 A 67 GLU middle . . 71 A 68 VAL middle . . 72 A 69 ASP middle . . 73 A 70 VAL middle . . 74 A 71 ALA middle . . 75 A 72 LEU middle . . 76 A 73 ASP middle . . 77 A 74 ALA middle . . 78 A 75 VAL middle . . 79 A 76 GLU middle . . 80 A 77 ASP middle . . 81 A 78 GLY middle . false 82 A 79 PHE middle . . 83 A 80 GLY middle . false 84 A 81 GLU middle . . 85 A 82 THR middle . . 86 A 83 LEU middle . . 87 A 84 LEU middle . . 88 A 85 SER middle . . 89 A 86 ARG middle . . 90 A 87 GLU middle . . 91 A 88 LYS middle . . 92 A 89 ALA middle . . 93 A 90 LYS middle . . 94 A 91 ARG middle . . 95 A 92 HIS middle . . 96 A 93 GLU middle . . 97 A 94 ALA middle . . 98 A 95 TRP middle . . 99 A 96 ILE middle . . 100 A 97 THR middle . . 101 A 98 LEU middle . . 102 A 99 GLU middle . . 103 A 100 LYS middle . . 104 A 101 ALA middle . . 105 A 102 TYR middle . . 106 A 103 GLU middle . . 107 A 104 ASP middle . . 108 A 105 ALA middle . . 109 A 106 GLU middle . . 110 A 107 THR middle . . 111 A 108 VAL middle . . 112 A 109 THR middle . . 113 A 110 GLY middle . false 114 A 111 VAL middle . . 115 A 112 ILE middle . . 116 A 113 ASN middle . . 117 A 114 GLY middle . false 118 A 115 LYS middle . . 119 A 116 VAL middle . . 120 A 117 LYS middle . . 121 A 118 GLY middle . false 122 A 119 GLY middle . false 123 A 120 PHE middle . . 124 A 121 THR middle . . 125 A 122 VAL middle . . 126 A 123 GLU middle . . 127 A 124 LEU middle . . 128 A 125 ASN middle . . 129 A 126 GLY middle . false 130 A 127 ILE middle . . 131 A 128 ARG middle . . 132 A 129 ALA middle . . 133 A 130 PHE middle . . 134 A 131 LEU middle . . 135 A 132 PRO middle . false 136 A 133 GLY middle . false 137 A 134 SER middle . . 138 A 135 LEU middle . . 139 A 136 VAL middle . . 140 A 137 ASP middle . . 141 A 138 VAL middle . . 142 A 139 ARG middle . . 143 A 140 PRO middle . false 144 A 141 VAL middle . . 145 A 142 ARG middle . . 146 A 143 ASP middle . . 147 A 144 THR middle . . 148 A 145 LEU middle . . 149 A 146 HIS middle . . 150 A 147 LEU middle . . 151 A 148 GLU middle . . 152 A 149 GLY middle . false 153 A 150 LYS middle . . 154 A 151 GLU middle . . 155 A 152 LEU middle . . 156 A 153 GLU middle . . 157 A 154 PHE middle . . 158 A 155 LYS middle . . 159 A 156 VAL middle . . 160 A 157 ILE middle . . 161 A 158 LYS middle . . 162 A 159 LEU middle . . 163 A 160 ASP middle . . 164 A 161 GLN middle . . 165 A 162 LYS middle . . 166 A 163 ARG middle . . 167 A 164 ASN middle . . 168 A 165 ASN middle . . 169 A 166 VAL middle . . 170 A 167 VAL middle . . 171 A 168 VAL middle . . 172 A 169 SER middle . . 173 A 170 ARG middle . . 174 A 171 ARG middle . . 175 A 172 ALA middle . . 176 A 173 VAL middle . . 177 A 174 ILE middle . . 178 A 175 GLU middle . . 179 A 176 SER middle . . 180 A 177 GLU middle . . 181 A 178 ASN middle . . 182 A 179 SER end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 0 HIS H H 1 8.33 0.02 A 0 HIS HA H 1 4.12 0.02 A 0 HIS C C 13 175.98 0.25 A 0 HIS N N 15 121.49 0.15 A 1 MET H H 1 8.52 0.02 A 1 MET HA H 1 4.38 0.02 A 1 MET HBx H 1 1.88 0.02 A 1 MET HBy H 1 1.97 0.02 A 1 MET HE% H 1 1.95 0.02 A 1 MET HGx H 1 2.36 0.02 A 1 MET HGy H 1 2.42 0.02 A 1 MET C C 13 176.27 0.25 A 1 MET CA C 13 55.57 0.25 A 1 MET CB C 13 32.69 0.25 A 1 MET CE C 13 16.82 0.25 A 1 MET CG C 13 31.79 0.25 A 1 MET N N 15 124.69 0.15 A 2 THR H H 1 8.10 0.02 A 2 THR HA H 1 4.18 0.02 A 2 THR HB H 1 4.14 0.02 A 2 THR HG2% H 1 1.09 0.02 A 2 THR C C 13 174.68 0.25 A 2 THR CA C 13 61.95 0.25 A 2 THR CB C 13 69.52 0.25 A 2 THR CG2 C 13 21.57 0.25 A 2 THR N N 15 115.24 0.15 A 3 GLU H H 1 8.38 0.02 A 3 GLU HA H 1 4.14 0.02 A 3 GLU HBx H 1 1.82 0.02 A 3 GLU HBy H 1 1.94 0.02 A 3 GLU HG2 H 1 2.11 0.02 A 3 GLU HG3 H 1 2.11 0.02 A 3 GLU C C 13 176.58 0.25 A 3 GLU CA C 13 56.60 0.25 A 3 GLU CB C 13 30.04 0.25 A 3 GLU CG C 13 36.31 0.25 A 3 GLU N N 15 123.19 0.15 A 4 SER H H 1 8.18 0.02 A 4 SER HA H 1 4.39 0.02 A 4 SER HBy H 1 3.71 0.02 A 4 SER HBx H 1 3.67 0.02 A 4 SER C C 13 174.58 0.25 A 4 SER CA C 13 58.05 0.25 A 4 SER CB C 13 63.72 0.25 A 4 SER N N 15 116.25 0.15 A 5 PHE H H 1 8.12 0.02 A 5 PHE HA H 1 4.43 0.02 A 5 PHE HBy H 1 3.05 0.02 A 5 PHE HBx H 1 2.94 0.02 A 5 PHE HDx H 1 7.13 0.02 A 5 PHE HDy H 1 7.13 0.02 A 5 PHE HEx H 1 7.20 0.02 A 5 PHE HEy H 1 7.20 0.02 A 5 PHE C C 13 175.83 0.25 A 5 PHE CA C 13 58.22 0.25 A 5 PHE CB C 13 39.12 0.25 A 5 PHE N N 15 122.11 0.15 A 6 ALA H H 1 8.07 0.02 A 6 ALA HA H 1 4.09 0.02 A 6 ALA HB% H 1 1.25 0.02 A 6 ALA C C 13 177.95 0.25 A 6 ALA CA C 13 53.06 0.25 A 6 ALA CB C 13 18.84 0.25 A 6 ALA N N 15 124.00 0.15 A 7 GLN H H 1 8.03 0.02 A 7 GLN HA H 1 4.10 0.02 A 7 GLN HBy H 1 1.91 0.02 A 7 GLN HBx H 1 1.87 0.02 A 7 GLN HE21 H 1 7.46 0.02 A 7 GLN HE22 H 1 6.76 0.02 A 7 GLN HGy H 1 2.21 0.02 A 7 GLN HGx H 1 2.19 0.02 A 7 GLN C C 13 176.24 0.25 A 7 GLN CA C 13 56.26 0.25 A 7 GLN CB C 13 29.02 0.25 A 7 GLN CG C 13 33.70 0.25 A 7 GLN N N 15 118.64 0.15 A 7 GLN NE2 N 15 112.42 0.15 A 8 LEU H H 1 7.96 0.02 A 8 LEU HA H 1 4.10 0.02 A 8 LEU HBx H 1 1.31 0.02 A 8 LEU HBy H 1 1.43 0.02 A 8 LEU HDx% H 1 0.76 0.02 A 8 LEU HDy% H 1 0.70 0.02 A 8 LEU C C 13 177.55 0.25 A 8 LEU CA C 13 55.66 0.25 A 8 LEU CB C 13 42.28 0.25 A 8 LEU CDy C 13 24.96 0.25 A 8 LEU CDx C 13 23.28 0.25 A 8 LEU CG C 13 26.77 0.25 A 8 LEU N N 15 122.27 0.15 A 9 PHE H H 1 8.12 0.02 A 9 PHE HA H 1 4.42 0.02 A 9 PHE HBx H 1 2.86 0.02 A 9 PHE HBy H 1 3.02 0.02 A 9 PHE HDx H 1 7.09 0.02 A 9 PHE HDy H 1 7.09 0.02 A 9 PHE HEx H 1 7.18 0.02 A 9 PHE HEy H 1 7.18 0.02 A 9 PHE C C 13 176.07 0.25 A 9 PHE CA C 13 58.24 0.25 A 9 PHE CB C 13 39.23 0.25 A 9 PHE N N 15 120.29 0.15 A 10 GLU H H 1 8.15 0.02 A 10 GLU HA H 1 4.04 0.02 A 10 GLU HBy H 1 1.91 0.02 A 10 GLU HBx H 1 1.84 0.02 A 10 GLU HG2 H 1 2.12 0.02 A 10 GLU C C 13 176.96 0.25 A 10 GLU CA C 13 56.90 0.25 A 10 GLU CB C 13 29.68 0.25 A 10 GLU N N 15 121.66 0.15 A 11 GLU H H 1 8.17 0.02 A 11 GLU HA H 1 4.18 0.02 A 11 GLU N N 15 122.51 0.15 A 12 SER HA H 1 4.26 0.02 A 12 SER HBy H 1 3.73 0.02 A 12 SER HBx H 1 3.68 0.02 A 12 SER C C 13 174.84 0.25 A 12 SER CA C 13 58.37 0.25 A 12 SER CB C 13 63.45 0.25 A 13 LEU H H 1 7.95 0.02 A 13 LEU HA H 1 4.15 0.02 A 13 LEU HBy H 1 1.51 0.02 A 13 LEU HBx H 1 1.44 0.02 A 13 LEU HD1% H 1 0.74 0.02 A 13 LEU C C 13 177.56 0.25 A 13 LEU CA C 13 55.51 0.25 A 13 LEU CB C 13 42.19 0.25 A 13 LEU CDx C 13 23.57 0.25 A 13 LEU CDy C 13 24.99 0.25 A 13 LEU CG C 13 26.94 0.25 A 13 LEU N N 15 123.28 0.15 A 14 LYS H H 1 7.93 0.02 A 14 LYS HA H 1 4.13 0.02 A 14 LYS HBy H 1 1.72 0.02 A 14 LYS HBx H 1 1.66 0.02 A 14 LYS HE3 H 1 2.87 0.02 A 14 LYS HGx H 1 1.30 0.02 A 14 LYS HGy H 1 1.36 0.02 A 14 LYS C C 13 176.74 0.25 A 14 LYS CA C 13 56.82 0.25 A 14 LYS CB C 13 32.78 0.25 A 14 LYS CD C 13 29.00 0.25 A 14 LYS CE C 13 41.90 0.25 A 14 LYS CG C 13 24.67 0.25 A 14 LYS N N 15 120.90 0.15 A 15 GLU H H 1 8.13 0.02 A 15 GLU HA H 1 4.16 0.02 A 15 GLU C C 13 176.49 0.25 A 15 GLU CA C 13 56.90 0.25 A 15 GLU CB C 13 29.45 0.25 A 15 GLU CG C 13 36.31 0.25 A 15 GLU N N 15 121.14 0.15 A 16 ILE H H 1 8.01 0.02 A 16 ILE HA H 1 4.00 0.02 A 16 ILE HB H 1 1.75 0.02 A 16 ILE HD1% H 1 0.73 0.02 A 16 ILE HG1x H 1 1.07 0.02 A 16 ILE HG1y H 1 1.37 0.02 A 16 ILE HG2% H 1 0.78 0.02 A 16 ILE C C 13 175.69 0.25 A 16 ILE CA C 13 61.20 0.25 A 16 ILE CB C 13 38.62 0.25 A 16 ILE CD1 C 13 13.01 0.25 A 16 ILE CG1 C 13 27.27 0.25 A 16 ILE CG2 C 13 17.45 0.25 A 16 ILE N N 15 120.71 0.15 A 17 GLU H H 1 8.30 0.02 A 17 GLU HA H 1 4.21 0.02 A 17 GLU HBx H 1 1.89 0.02 A 17 GLU HBy H 1 1.91 0.02 A 17 GLU HG2 H 1 2.15 0.02 A 17 GLU C C 13 176.39 0.25 A 17 GLU CA C 13 56.52 0.25 A 17 GLU CB C 13 29.59 0.25 A 17 GLU CG C 13 36.32 0.25 A 17 GLU N N 15 124.38 0.15 A 18 THR H H 1 8.06 0.02 A 18 THR HA H 1 4.20 0.02 A 18 THR HB H 1 4.04 0.02 A 18 THR HG2% H 1 1.06 0.02 A 18 THR C C 13 174.20 0.25 A 18 THR CA C 13 61.56 0.25 A 18 THR CB C 13 69.61 0.25 A 18 THR CG2 C 13 21.58 0.25 A 18 THR N N 15 115.78 0.15 A 19 ARG H H 1 8.33 0.02 A 19 ARG HA H 1 4.52 0.02 A 19 ARG HBx H 1 1.63 0.02 A 19 ARG HBy H 1 1.73 0.02 A 19 ARG HD2 H 1 3.07 0.02 A 19 ARG HD3 H 1 3.07 0.02 A 19 ARG HGx H 1 1.54 0.02 A 19 ARG HGy H 1 1.55 0.02 A 19 ARG C C 13 174.15 0.25 A 19 ARG CA C 13 53.86 0.25 A 19 ARG CB C 13 30.10 0.25 A 19 ARG CD C 13 43.17 0.25 A 19 ARG CG C 13 26.73 0.25 A 19 ARG N N 15 124.80 0.15 A 20 PRO HA H 1 4.31 0.02 A 20 PRO HBx H 1 1.82 0.02 A 20 PRO HBy H 1 2.19 0.02 A 20 PRO HDy H 1 3.71 0.02 A 20 PRO HDx H 1 3.52 0.02 A 20 PRO HGx H 1 1.88 0.02 A 20 PRO HGy H 1 1.95 0.02 A 20 PRO C C 13 177.35 0.25 A 20 PRO CA C 13 63.38 0.25 A 20 PRO CB C 13 32.01 0.25 A 20 PRO CD C 13 50.56 0.25 A 20 PRO CG C 13 27.36 0.25 A 21 GLY H H 1 8.47 0.02 A 21 GLY HA2 H 1 3.86 0.02 A 21 GLY HA3 H 1 3.86 0.02 A 21 GLY C C 13 174.04 0.25 A 21 GLY CA C 13 45.11 0.25 A 21 GLY N N 15 109.79 0.15 A 22 SER H H 1 8.10 0.02 A 22 SER HA H 1 4.38 0.02 A 22 SER HBy H 1 3.75 0.02 A 22 SER HBx H 1 3.74 0.02 A 22 SER C C 13 173.11 0.25 A 22 SER CA C 13 58.35 0.25 A 22 SER CB C 13 63.85 0.25 A 22 SER N N 15 115.12 0.15 A 23 ILE H H 1 7.95 0.02 A 23 ILE HA H 1 4.67 0.02 A 23 ILE HB H 1 1.61 0.02 A 23 ILE HD1% H 1 0.63 0.02 A 23 ILE HG1x H 1 0.98 0.02 A 23 ILE HG1y H 1 1.33 0.02 A 23 ILE HG2% H 1 0.64 0.02 A 23 ILE C C 13 176.00 0.25 A 23 ILE CA C 13 59.64 0.25 A 23 ILE CB C 13 39.31 0.25 A 23 ILE CD1 C 13 12.21 0.25 A 23 ILE CG1 C 13 27.14 0.25 A 23 ILE CG2 C 13 17.70 0.25 A 23 ILE N N 15 122.51 0.15 A 24 VAL H H 1 8.94 0.02 A 24 VAL HA H 1 4.45 0.02 A 24 VAL HB H 1 2.03 0.02 A 24 VAL HGx% H 1 0.75 0.02 A 24 VAL HGy% H 1 0.78 0.02 A 24 VAL C C 13 173.38 0.25 A 24 VAL CA C 13 59.48 0.25 A 24 VAL CB C 13 34.95 0.25 A 24 VAL CGx C 13 19.85 0.25 A 24 VAL CGy C 13 21.44 0.25 A 24 VAL N N 15 123.65 0.15 A 25 ARG H H 1 8.19 0.02 A 25 ARG HA H 1 5.03 0.02 A 25 ARG HBy H 1 1.70 0.02 A 25 ARG HBx H 1 1.60 0.02 A 25 ARG HD2 H 1 3.03 0.02 A 25 ARG C C 13 176.19 0.25 A 25 ARG CA C 13 54.22 0.25 A 25 ARG CB C 13 30.70 0.25 A 25 ARG CD C 13 42.77 0.25 A 25 ARG CG C 13 26.50 0.25 A 25 ARG N N 15 123.42 0.15 A 26 GLY H H 1 8.89 0.02 A 26 GLY HAx H 1 3.17 0.02 A 26 GLY HAy H 1 4.67 0.02 A 26 GLY C C 13 171.10 0.25 A 26 GLY CA C 13 43.93 0.25 A 26 GLY N N 15 111.49 0.15 A 27 VAL H H 1 7.75 0.02 A 27 VAL HA H 1 4.79 0.02 A 27 VAL HB H 1 1.79 0.02 A 27 VAL HGx% H 1 0.74 0.02 A 27 VAL HGy% H 1 0.82 0.02 A 27 VAL C C 13 175.67 0.25 A 27 VAL CA C 13 59.72 0.25 A 27 VAL CB C 13 35.04 0.25 A 27 VAL CGx C 13 20.68 0.25 A 27 VAL CGy C 13 21.49 0.25 A 27 VAL N N 15 117.64 0.15 A 28 VAL H H 1 8.89 0.02 A 28 VAL HA H 1 3.78 0.02 A 28 VAL HB H 1 2.08 0.02 A 28 VAL HGx% H 1 0.58 0.02 A 28 VAL HGy% H 1 0.54 0.02 A 28 VAL C C 13 176.99 0.25 A 28 VAL CA C 13 63.89 0.25 A 28 VAL CB C 13 31.50 0.25 A 28 VAL CGx C 13 22.15 0.25 A 28 VAL CGy C 13 22.17 0.25 A 28 VAL N N 15 126.69 0.15 A 29 VAL H H 1 9.18 0.02 A 29 VAL HA H 1 4.31 0.02 A 29 VAL HB H 1 1.98 0.02 A 29 VAL HGx% H 1 0.75 0.02 A 29 VAL HGy% H 1 0.89 0.02 A 29 VAL C C 13 175.62 0.25 A 29 VAL CA C 13 62.17 0.25 A 29 VAL CB C 13 33.20 0.25 A 29 VAL CGx C 13 19.96 0.25 A 29 VAL CGy C 13 21.67 0.25 A 29 VAL N N 15 126.29 0.15 A 30 ALA H H 1 7.65 0.02 A 30 ALA HA H 1 4.32 0.02 A 30 ALA HB% H 1 1.29 0.02 A 30 ALA C C 13 174.35 0.25 A 30 ALA CA C 13 52.39 0.25 A 30 ALA CB C 13 21.91 0.25 A 30 ALA N N 15 121.33 0.15 A 31 ILE H H 1 8.46 0.02 A 31 ILE HA H 1 4.27 0.02 A 31 ILE HB H 1 1.44 0.02 A 31 ILE HD1% H 1 0.58 0.02 A 31 ILE HG1y H 1 1.17 0.02 A 31 ILE HG1x H 1 0.65 0.02 A 31 ILE HG2% H 1 0.65 0.02 A 31 ILE C C 13 174.34 0.25 A 31 ILE CA C 13 61.52 0.25 A 31 ILE CB C 13 41.19 0.25 A 31 ILE CD1 C 13 14.65 0.25 A 31 ILE CG1 C 13 27.96 0.25 A 31 ILE CG2 C 13 17.58 0.25 A 31 ILE N N 15 120.33 0.15 A 32 ASP H H 1 8.51 0.02 A 32 ASP HA H 1 4.72 0.02 A 32 ASP HBy H 1 2.63 0.02 A 32 ASP HBx H 1 2.57 0.02 A 32 ASP C C 13 174.69 0.25 A 32 ASP CA C 13 52.63 0.25 A 32 ASP CB C 13 42.84 0.25 A 32 ASP N N 15 128.17 0.15 A 33 LYS H H 1 8.44 0.02 A 33 LYS HA H 1 3.75 0.02 A 33 LYS HBy H 1 1.79 0.02 A 33 LYS HBx H 1 1.69 0.02 A 33 LYS HDy H 1 1.60 0.02 A 33 LYS HDx H 1 1.57 0.02 A 33 LYS HEy H 1 2.91 0.02 A 33 LYS HEx H 1 2.85 0.02 A 33 LYS HGx H 1 1.30 0.02 A 33 LYS HGy H 1 1.36 0.02 A 33 LYS C C 13 175.88 0.25 A 33 LYS CA C 13 58.70 0.25 A 33 LYS CB C 13 31.10 0.25 A 33 LYS CD C 13 28.83 0.25 A 33 LYS CE C 13 41.70 0.25 A 33 LYS CG C 13 24.49 0.25 A 33 LYS N N 15 118.54 0.15 A 34 ASP H H 1 8.61 0.02 A 34 ASP HA H 1 4.68 0.02 A 34 ASP HBy H 1 2.73 0.02 A 34 ASP HBx H 1 2.63 0.02 A 34 ASP C C 13 176.51 0.25 A 34 ASP CA C 13 55.07 0.25 A 34 ASP CB C 13 42.00 0.25 A 34 ASP N N 15 116.09 0.15 A 35 VAL H H 1 8.10 0.02 A 35 VAL HA H 1 4.55 0.02 A 35 VAL HB H 1 1.81 0.02 A 35 VAL HGx% H 1 0.74 0.02 A 35 VAL HGy% H 1 0.69 0.02 A 35 VAL C C 13 172.77 0.25 A 35 VAL CA C 13 61.10 0.25 A 35 VAL CB C 13 36.11 0.25 A 35 VAL CGx C 13 20.56 0.25 A 35 VAL CGy C 13 21.74 0.25 A 35 VAL N N 15 120.83 0.15 A 36 VAL H H 1 9.04 0.02 A 36 VAL HA H 1 4.18 0.02 A 36 VAL HGx% H 1 0.69 0.02 A 36 VAL HGy% H 1 0.44 0.02 A 36 VAL C C 13 174.14 0.25 A 36 VAL CA C 13 61.02 0.25 A 36 VAL CB C 13 33.61 0.25 A 36 VAL CG2 C 13 21.79 0.25 A 36 VAL N N 15 125.49 0.15 A 37 LEU H H 1 8.68 0.02 A 37 LEU HA H 1 5.07 0.02 A 37 LEU HBy H 1 1.50 0.02 A 37 LEU HBx H 1 1.13 0.02 A 37 LEU HDx% H 1 0.65 0.02 A 37 LEU HDy% H 1 0.67 0.02 A 37 LEU HG H 1 1.34 0.02 A 37 LEU C C 13 176.61 0.25 A 37 LEU CA C 13 53.29 0.25 A 37 LEU CB C 13 43.28 0.25 A 37 LEU CDx C 13 23.75 0.25 A 37 LEU CDy C 13 24.41 0.25 A 37 LEU CG C 13 27.11 0.25 A 37 LEU N N 15 127.38 0.15 A 38 VAL H H 1 9.11 0.02 A 38 VAL HA H 1 4.65 0.02 A 38 VAL HB H 1 1.66 0.02 A 38 VAL HGx% H 1 0.51 0.02 A 38 VAL HGy% H 1 0.66 0.02 A 38 VAL C C 13 174.48 0.25 A 38 VAL CA C 13 59.79 0.25 A 38 VAL CB C 13 35.40 0.25 A 38 VAL CGx C 13 21.07 0.25 A 38 VAL CGy C 13 21.84 0.25 A 38 VAL N N 15 123.21 0.15 A 39 ASP H H 1 9.13 0.02 A 39 ASP HA H 1 4.86 0.02 A 39 ASP HBy H 1 2.83 0.02 A 39 ASP HBx H 1 2.44 0.02 A 39 ASP C C 13 175.67 0.25 A 39 ASP CA C 13 52.62 0.25 A 39 ASP CB C 13 41.03 0.25 A 39 ASP N N 15 124.79 0.15 A 40 ALA H H 1 9.20 0.02 A 40 ALA HA H 1 4.73 0.02 A 40 ALA HB% H 1 1.13 0.02 A 40 ALA C C 13 176.40 0.25 A 40 ALA CA C 13 50.24 0.25 A 40 ALA CB C 13 19.27 0.25 A 40 ALA N N 15 131.94 0.15 A 41 GLY H H 1 8.47 0.02 A 41 GLY HAx H 1 3.73 0.02 A 41 GLY HAy H 1 4.00 0.02 A 41 GLY C C 13 174.97 0.25 A 41 GLY CA C 13 45.74 0.25 A 41 GLY N N 15 106.93 0.15 A 42 LEU H H 1 7.52 0.02 A 42 LEU HA H 1 4.48 0.02 A 42 LEU HBx H 1 1.69 0.02 A 42 LEU HBy H 1 1.90 0.02 A 42 LEU HDx% H 1 0.79 0.02 A 42 LEU HDy% H 1 0.72 0.02 A 42 LEU HG H 1 1.41 0.02 A 42 LEU C C 13 177.17 0.25 A 42 LEU CA C 13 53.97 0.25 A 42 LEU CB C 13 40.96 0.25 A 42 LEU CDy C 13 25.51 0.25 A 42 LEU CDx C 13 22.52 0.25 A 42 LEU CG C 13 27.39 0.25 A 42 LEU N N 15 119.15 0.15 A 43 LYS H H 1 8.36 0.02 A 43 LYS HA H 1 3.90 0.02 A 43 LYS HBx H 1 1.69 0.02 A 43 LYS HBy H 1 1.79 0.02 A 43 LYS HDx H 1 1.57 0.02 A 43 LYS HDy H 1 1.57 0.02 A 43 LYS HE3 H 1 2.88 0.02 A 43 LYS HGy H 1 1.37 0.02 A 43 LYS HGx H 1 1.34 0.02 A 43 LYS C C 13 176.42 0.25 A 43 LYS CA C 13 58.63 0.25 A 43 LYS CB C 13 31.69 0.25 A 43 LYS CD C 13 28.80 0.25 A 43 LYS CE C 13 41.74 0.25 A 43 LYS CG C 13 24.75 0.25 A 43 LYS N N 15 119.01 0.15 A 44 SER H H 1 7.41 0.02 A 44 SER HA H 1 4.48 0.02 A 44 SER HBx H 1 3.62 0.02 A 44 SER HBy H 1 3.66 0.02 A 44 SER C C 13 173.65 0.25 A 44 SER CA C 13 56.37 0.25 A 44 SER CB C 13 64.94 0.25 A 44 SER N N 15 110.68 0.15 A 45 GLU H H 1 8.83 0.02 A 45 GLU HA H 1 4.30 0.02 A 45 GLU HBy H 1 1.78 0.02 A 45 GLU HBx H 1 1.64 0.02 A 45 GLU HGy H 1 2.12 0.02 A 45 GLU HGx H 1 2.08 0.02 A 45 GLU C C 13 176.52 0.25 A 45 GLU CA C 13 57.80 0.25 A 45 GLU CB C 13 29.77 0.25 A 45 GLU CG C 13 36.63 0.25 A 45 GLU N N 15 122.64 0.15 A 46 SER H H 1 8.99 0.02 A 46 SER HA H 1 4.54 0.02 A 46 SER HBx H 1 3.48 0.02 A 46 SER HBy H 1 3.67 0.02 A 46 SER C C 13 172.15 0.25 A 46 SER CA C 13 58.37 0.25 A 46 SER CB C 13 64.46 0.25 A 46 SER N N 15 119.33 0.15 A 47 ALA H H 1 8.53 0.02 A 47 ALA HA H 1 4.82 0.02 A 47 ALA HB% H 1 1.13 0.02 A 47 ALA C C 13 176.19 0.25 A 47 ALA CA C 13 50.93 0.25 A 47 ALA CB C 13 19.50 0.25 A 47 ALA N N 15 128.62 0.15 A 48 ILE H H 1 9.19 0.02 A 48 ILE HA H 1 4.65 0.02 A 48 ILE HB H 1 1.90 0.02 A 48 ILE HD1% H 1 0.66 0.02 A 48 ILE HG12 H 1 1.20 0.02 A 48 ILE HG2% H 1 0.91 0.02 A 48 ILE CA C 13 57.37 0.25 A 48 ILE CB C 13 40.82 0.25 A 48 ILE CD1 C 13 13.00 0.25 A 48 ILE CG1 C 13 27.10 0.25 A 48 ILE CG2 C 13 17.58 0.25 A 48 ILE N N 15 125.71 0.15 A 49 PRO HA H 1 4.44 0.02 A 49 PRO HDy H 1 3.81 0.02 A 49 PRO HDx H 1 3.55 0.02 A 49 PRO HG2 H 1 2.07 0.02 A 49 PRO C C 13 177.67 0.25 A 49 PRO CA C 13 63.85 0.25 A 49 PRO CB C 13 32.49 0.25 A 49 PRO CD C 13 51.06 0.25 A 49 PRO CG C 13 28.01 0.25 A 50 ALA H H 1 8.22 0.02 A 50 ALA HA H 1 3.97 0.02 A 50 ALA HB% H 1 1.18 0.02 A 50 ALA C C 13 178.92 0.25 A 50 ALA CA C 13 54.77 0.25 A 50 ALA CB C 13 17.92 0.25 A 50 ALA N N 15 125.73 0.15 A 51 GLU H H 1 8.56 0.02 A 51 GLU HA H 1 3.69 0.02 A 51 GLU HBx H 1 1.92 0.02 A 51 GLU HBy H 1 2.04 0.02 A 51 GLU HGy H 1 2.22 0.02 A 51 GLU HGx H 1 2.16 0.02 A 51 GLU C C 13 177.85 0.25 A 51 GLU CA C 13 58.99 0.25 A 51 GLU CB C 13 29.12 0.25 A 51 GLU CG C 13 35.42 0.25 A 51 GLU N N 15 115.15 0.15 A 52 GLN H H 1 7.44 0.02 A 52 GLN HA H 1 3.88 0.02 A 52 GLN HB3 H 1 1.55 0.02 A 52 GLN HG3 H 1 1.92 0.02 A 52 GLN C C 13 175.84 0.25 A 52 GLN CA C 13 57.46 0.25 A 52 GLN CB C 13 27.89 0.25 A 52 GLN CG C 13 33.60 0.25 A 52 GLN N N 15 115.78 0.15 A 53 PHE H H 1 7.84 0.02 A 53 PHE HA H 1 4.69 0.02 A 53 PHE HDx H 1 7.13 0.02 A 53 PHE HDy H 1 7.13 0.02 A 53 PHE HEx H 1 7.04 0.02 A 53 PHE HEy H 1 7.04 0.02 A 53 PHE HZ H 1 6.87 0.02 A 53 PHE C C 13 174.78 0.25 A 53 PHE CA C 13 56.68 0.25 A 53 PHE CB C 13 40.23 0.25 A 53 PHE N N 15 115.82 0.15 A 54 LYS H H 1 7.01 0.02 A 54 LYS HA H 1 4.67 0.02 A 54 LYS HBx H 1 1.49 0.02 A 54 LYS HBy H 1 1.65 0.02 A 54 LYS HD2 H 1 1.44 0.02 A 54 LYS HEx H 1 2.50 0.02 A 54 LYS HEy H 1 2.72 0.02 A 54 LYS HG3 H 1 0.87 0.02 A 54 LYS C C 13 176.79 0.25 A 54 LYS CA C 13 55.82 0.25 A 54 LYS CB C 13 34.93 0.25 A 54 LYS CE C 13 41.94 0.25 A 54 LYS CG C 13 26.46 0.25 A 54 LYS N N 15 119.72 0.15 A 55 ASN H H 1 8.53 0.02 A 55 ASN HA H 1 4.66 0.02 A 55 ASN HBx H 1 2.92 0.02 A 55 ASN HBy H 1 3.44 0.02 A 55 ASN HD21 H 1 7.88 0.02 A 55 ASN HD22 H 1 7.34 0.02 A 55 ASN C C 13 177.67 0.25 A 55 ASN CA C 13 50.67 0.25 A 55 ASN CB C 13 38.57 0.25 A 55 ASN N N 15 120.17 0.15 A 55 ASN ND2 N 15 112.80 0.15 A 56 ALA H H 1 8.43 0.02 A 56 ALA HA H 1 4.03 0.02 A 56 ALA HB% H 1 1.34 0.02 A 56 ALA C C 13 178.59 0.25 A 56 ALA CA C 13 54.54 0.25 A 56 ALA CB C 13 17.98 0.25 A 56 ALA N N 15 120.74 0.15 A 57 GLN H H 1 7.58 0.02 A 57 GLN HA H 1 4.30 0.02 A 57 GLN HBy H 1 2.21 0.02 A 57 GLN HBx H 1 1.95 0.02 A 57 GLN HE21 H 1 7.43 0.02 A 57 GLN HE22 H 1 6.72 0.02 A 57 GLN HGy H 1 2.33 0.02 A 57 GLN HGx H 1 2.20 0.02 A 57 GLN C C 13 176.13 0.25 A 57 GLN CA C 13 55.73 0.25 A 57 GLN CB C 13 28.54 0.25 A 57 GLN CG C 13 34.74 0.25 A 57 GLN N N 15 114.92 0.15 A 57 GLN NE2 N 15 112.05 0.15 A 58 GLY H H 1 8.16 0.02 A 58 GLY HAy H 1 4.12 0.02 A 58 GLY HAx H 1 3.56 0.02 A 58 GLY C C 13 173.66 0.25 A 58 GLY CA C 13 45.42 0.25 A 58 GLY N N 15 107.93 0.15 A 59 GLU H H 1 7.72 0.02 A 59 GLU HA H 1 4.33 0.02 A 59 GLU HBy H 1 1.86 0.02 A 59 GLU HBx H 1 1.81 0.02 A 59 GLU HGx H 1 2.00 0.02 A 59 GLU HGy H 1 2.08 0.02 A 59 GLU C C 13 175.84 0.25 A 59 GLU CA C 13 54.31 0.25 A 59 GLU CB C 13 30.74 0.25 A 59 GLU CG C 13 35.69 0.25 A 59 GLU N N 15 119.72 0.15 A 60 LEU H H 1 8.71 0.02 A 60 LEU HA H 1 4.29 0.02 A 60 LEU HB3 H 1 1.51 0.02 A 60 LEU HDx% H 1 0.76 0.02 A 60 LEU HDy% H 1 0.75 0.02 A 60 LEU HG H 1 1.56 0.02 A 60 LEU C C 13 177.68 0.25 A 60 LEU CA C 13 55.14 0.25 A 60 LEU CB C 13 43.05 0.25 A 60 LEU CDy C 13 25.49 0.25 A 60 LEU CDx C 13 25.30 0.25 A 60 LEU CG C 13 27.73 0.25 A 60 LEU N N 15 123.06 0.15 A 61 GLU H H 1 8.81 0.02 A 61 GLU HA H 1 4.39 0.02 A 61 GLU HBx H 1 1.86 0.02 A 61 GLU HBy H 1 2.13 0.02 A 61 GLU HGy H 1 2.21 0.02 A 61 GLU HGx H 1 2.08 0.02 A 61 GLU C C 13 175.52 0.25 A 61 GLU CA C 13 55.78 0.25 A 61 GLU CB C 13 30.24 0.25 A 61 GLU CG C 13 36.72 0.25 A 61 GLU N N 15 123.55 0.15 A 62 ILE H H 1 6.78 0.02 A 62 ILE HA H 1 4.42 0.02 A 62 ILE HB H 1 1.53 0.02 A 62 ILE HD1% H 1 0.29 0.02 A 62 ILE HG1x H 1 0.68 0.02 A 62 ILE HG1y H 1 1.20 0.02 A 62 ILE HG2% H 1 0.64 0.02 A 62 ILE C C 13 172.66 0.25 A 62 ILE CA C 13 58.94 0.25 A 62 ILE CB C 13 41.90 0.25 A 62 ILE CD1 C 13 14.93 0.25 A 62 ILE CG1 C 13 27.04 0.25 A 62 ILE CG2 C 13 18.40 0.25 A 62 ILE N N 15 113.60 0.15 A 63 GLN H H 1 8.37 0.02 A 63 GLN HA H 1 4.37 0.02 A 63 GLN HBx H 1 1.71 0.02 A 63 GLN HBy H 1 1.88 0.02 A 63 GLN HE21 H 1 6.64 0.02 A 63 GLN HE22 H 1 7.58 0.02 A 63 GLN HGx H 1 2.13 0.02 A 63 GLN HGy H 1 2.19 0.02 A 63 GLN C C 13 175.17 0.25 A 63 GLN CA C 13 53.16 0.25 A 63 GLN CB C 13 32.80 0.25 A 63 GLN CG C 13 33.29 0.25 A 63 GLN N N 15 119.37 0.15 A 63 GLN NE2 N 15 112.89 0.15 A 64 VAL H H 1 8.37 0.02 A 64 VAL HA H 1 3.09 0.02 A 64 VAL HB H 1 1.75 0.02 A 64 VAL HGx% H 1 0.77 0.02 A 64 VAL HGy% H 1 0.79 0.02 A 64 VAL C C 13 177.19 0.25 A 64 VAL CA C 13 65.59 0.25 A 64 VAL CB C 13 31.02 0.25 A 64 VAL CGx C 13 21.23 0.25 A 64 VAL CGy C 13 22.61 0.25 A 64 VAL N N 15 120.76 0.15 A 65 GLY H H 1 8.87 0.02 A 65 GLY HAx H 1 3.36 0.02 A 65 GLY HAy H 1 4.36 0.02 A 65 GLY C C 13 174.19 0.25 A 65 GLY CA C 13 44.38 0.25 A 65 GLY N N 15 116.75 0.15 A 66 ASP H H 1 7.80 0.02 A 66 ASP HA H 1 4.48 0.02 A 66 ASP HBx H 1 2.46 0.02 A 66 ASP HBy H 1 2.65 0.02 A 66 ASP C C 13 175.24 0.25 A 66 ASP CA C 13 54.73 0.25 A 66 ASP CB C 13 40.93 0.25 A 66 ASP N N 15 121.36 0.15 A 67 GLU H H 1 8.32 0.02 A 67 GLU HA H 1 5.13 0.02 A 67 GLU HBy H 1 1.82 0.02 A 67 GLU HBx H 1 1.77 0.02 A 67 GLU HGy H 1 2.24 0.02 A 67 GLU HGx H 1 1.99 0.02 A 67 GLU C C 13 176.50 0.25 A 67 GLU CA C 13 54.99 0.25 A 67 GLU CB C 13 31.19 0.25 A 67 GLU CG C 13 36.99 0.25 A 67 GLU N N 15 119.51 0.15 A 68 VAL H H 1 8.68 0.02 A 68 VAL HA H 1 4.51 0.02 A 68 VAL HB H 1 2.00 0.02 A 68 VAL HGx% H 1 0.48 0.02 A 68 VAL HGy% H 1 0.58 0.02 A 68 VAL CA C 13 58.83 0.25 A 68 VAL CB C 13 35.82 0.25 A 68 VAL CGx C 13 19.07 0.25 A 68 VAL CGy C 13 22.25 0.25 A 68 VAL N N 15 116.48 0.15 A 69 ASP HA H 1 5.12 0.02 A 69 ASP HBx H 1 2.25 0.02 A 69 ASP HBy H 1 2.43 0.02 A 69 ASP CA C 13 53.79 0.25 A 69 ASP CB C 13 41.68 0.25 A 70 VAL H H 1 9.07 0.02 A 70 VAL HA H 1 4.24 0.02 A 70 VAL HB H 1 1.85 0.02 A 70 VAL HGx% H 1 0.69 0.02 A 70 VAL HGy% H 1 0.72 0.02 A 70 VAL CA C 13 60.09 0.25 A 70 VAL CB C 13 34.77 0.25 A 70 VAL CGx C 13 20.79 0.25 A 70 VAL CGy C 13 21.66 0.25 A 70 VAL N N 15 120.66 0.15 A 71 ALA H H 1 8.47 0.02 A 71 ALA HA H 1 4.64 0.02 A 71 ALA HB% H 1 1.22 0.02 A 71 ALA C C 13 177.38 0.25 A 71 ALA CA C 13 50.81 0.25 A 71 ALA CB C 13 18.96 0.25 A 71 ALA N N 15 127.65 0.15 A 72 LEU H H 1 8.39 0.02 A 72 LEU HA H 1 4.18 0.02 A 72 LEU HBy H 1 1.50 0.02 A 72 LEU HBx H 1 1.45 0.02 A 72 LEU HD1% H 1 0.70 0.02 A 72 LEU CA C 13 55.20 0.25 A 72 LEU CB C 13 42.77 0.25 A 72 LEU N N 15 124.33 0.15 A 73 ASP HA H 1 4.34 0.02 A 73 ASP HB3 H 1 2.56 0.02 A 73 ASP CA C 13 54.80 0.25 A 73 ASP CB C 13 42.01 0.25 A 74 ALA H H 1 7.91 0.02 A 74 ALA HA H 1 4.25 0.02 A 74 ALA HB% H 1 1.28 0.02 A 74 ALA CA C 13 52.18 0.25 A 74 ALA CB C 13 19.20 0.25 A 74 ALA N N 15 122.62 0.15 A 75 VAL H H 1 7.84 0.02 A 75 VAL HA H 1 3.96 0.02 A 75 VAL HB H 1 2.00 0.02 A 75 VAL HGx% H 1 0.80 0.02 A 75 VAL HGy% H 1 0.81 0.02 A 75 VAL C C 13 176.46 0.25 A 75 VAL CA C 13 62.26 0.25 A 75 VAL CB C 13 32.64 0.25 A 75 VAL CGx C 13 20.68 0.25 A 75 VAL CGy C 13 21.25 0.25 A 75 VAL N N 15 118.41 0.15 A 76 GLU H H 1 8.38 0.02 A 76 GLU HA H 1 4.14 0.02 A 76 GLU HBy H 1 1.94 0.02 A 76 GLU HBx H 1 1.81 0.02 A 76 GLU HG2 H 1 2.13 0.02 A 76 GLU HG3 H 1 2.13 0.02 A 76 GLU C C 13 176.41 0.25 A 76 GLU CA C 13 56.91 0.25 A 76 GLU CB C 13 29.89 0.25 A 76 GLU CG C 13 36.35 0.25 A 76 GLU N N 15 123.87 0.15 A 77 ASP H H 1 8.27 0.02 A 77 ASP HA H 1 4.44 0.02 A 77 ASP HBy H 1 2.58 0.02 A 77 ASP HBx H 1 2.56 0.02 A 77 ASP C C 13 176.86 0.25 A 77 ASP CA C 13 54.52 0.25 A 77 ASP CB C 13 41.08 0.25 A 77 ASP N N 15 121.30 0.15 A 78 GLY H H 1 8.18 0.02 A 78 GLY HAx H 1 3.77 0.02 A 78 GLY HAy H 1 3.78 0.02 A 78 GLY C C 13 174.46 0.25 A 78 GLY CA C 13 45.54 0.25 A 78 GLY N N 15 108.55 0.15 A 79 PHE H H 1 8.08 0.02 A 79 PHE HA H 1 4.49 0.02 A 79 PHE HBx H 1 2.98 0.02 A 79 PHE HBy H 1 3.10 0.02 A 79 PHE HDx H 1 7.15 0.02 A 79 PHE HDy H 1 7.15 0.02 A 79 PHE HEx H 1 7.22 0.02 A 79 PHE HEy H 1 7.22 0.02 A 79 PHE HZ H 1 7.02 0.02 A 79 PHE C C 13 176.52 0.25 A 79 PHE CA C 13 58.22 0.25 A 79 PHE CB C 13 39.41 0.25 A 79 PHE N N 15 120.13 0.15 A 80 GLY H H 1 8.32 0.02 A 80 GLY HAy H 1 3.83 0.02 A 80 GLY HAx H 1 3.74 0.02 A 80 GLY C C 13 174.29 0.25 A 80 GLY CA C 13 45.33 0.25 A 80 GLY N N 15 110.02 0.15 A 81 GLU H H 1 8.17 0.02 A 81 GLU HA H 1 4.20 0.02 A 81 GLU HBx H 1 1.88 0.02 A 81 GLU HBy H 1 1.94 0.02 A 81 GLU HGx H 1 2.12 0.02 A 81 GLU HGy H 1 2.18 0.02 A 81 GLU C C 13 177.14 0.25 A 81 GLU CA C 13 56.90 0.25 A 81 GLU CB C 13 29.52 0.25 A 81 GLU CG C 13 36.30 0.25 A 81 GLU N N 15 120.56 0.15 A 82 THR H H 1 8.19 0.02 A 82 THR HA H 1 4.21 0.02 A 82 THR HB H 1 4.21 0.02 A 82 THR HG2% H 1 1.11 0.02 A 82 THR CA C 13 62.20 0.25 A 82 THR CB C 13 69.61 0.25 A 82 THR CG2 C 13 21.57 0.25 A 82 THR N N 15 114.98 0.15 A 89 ALA HA H 1 4.16 0.02 A 89 ALA HB% H 1 1.42 0.02 A 89 ALA C C 13 179.72 0.25 A 89 ALA CA C 13 54.49 0.25 A 89 ALA CB C 13 18.22 0.25 A 90 LYS H H 1 7.98 0.02 A 90 LYS C C 13 179.09 0.25 A 90 LYS N N 15 119.50 0.15 A 91 ARG H H 1 8.01 0.02 A 91 ARG HA H 1 4.15 0.02 A 91 ARG HBx H 1 1.86 0.02 A 91 ARG HBy H 1 1.91 0.02 A 91 ARG HDx H 1 3.14 0.02 A 91 ARG HDy H 1 3.15 0.02 A 91 ARG HGy H 1 1.70 0.02 A 91 ARG HGx H 1 1.65 0.02 A 91 ARG CA C 13 58.30 0.25 A 91 ARG CB C 13 30.02 0.25 A 91 ARG CD C 13 43.09 0.25 A 91 ARG CG C 13 27.63 0.25 A 91 ARG N N 15 120.51 0.15 A 92 HIS HA H 1 4.12 0.02 A 92 HIS HBx H 1 3.01 0.02 A 92 HIS HBy H 1 3.09 0.02 A 92 HIS HD2 H 1 7.57 0.02 A 92 HIS HE1 H 1 7.87 0.02 A 92 HIS C C 13 177.36 0.25 A 92 HIS CB C 13 29.87 0.25 A 92 HIS CE1 C 13 136.95 0.25 A 93 GLU H H 1 8.19 0.02 A 93 GLU HA H 1 3.90 0.02 A 93 GLU HB2 H 1 2.03 0.02 A 93 GLU HGy H 1 2.35 0.02 A 93 GLU HGx H 1 2.26 0.02 A 93 GLU C C 13 178.74 0.25 A 93 GLU CA C 13 59.16 0.25 A 93 GLU CB C 13 28.96 0.25 A 93 GLU CG C 13 36.24 0.25 A 93 GLU N N 15 118.47 0.15 A 94 ALA H H 1 8.09 0.02 A 94 ALA HA H 1 4.07 0.02 A 94 ALA HB% H 1 1.44 0.02 A 94 ALA C C 13 180.33 0.25 A 94 ALA CA C 13 54.94 0.25 A 94 ALA CB C 13 18.25 0.25 A 94 ALA N N 15 123.08 0.15 A 95 TRP H H 1 8.06 0.02 A 95 TRP HA H 1 4.04 0.02 A 95 TRP HBy H 1 3.22 0.02 A 95 TRP HBx H 1 3.18 0.02 A 95 TRP HD1 H 1 7.11 0.02 A 95 TRP HE1 H 1 10.05 0.02 A 95 TRP HE3 H 1 7.39 0.02 A 95 TRP HH2 H 1 6.69 0.02 A 95 TRP HZ2 H 1 7.34 0.02 A 95 TRP HZ3 H 1 6.62 0.02 A 95 TRP C C 13 178.59 0.25 A 95 TRP CA C 13 61.00 0.25 A 95 TRP CB C 13 29.16 0.25 A 95 TRP CD1 C 13 126.81 0.25 A 95 TRP CE3 C 13 121.00 0.25 A 95 TRP CH2 C 13 124.47 0.25 A 95 TRP CZ2 C 13 114.26 0.25 A 95 TRP CZ3 C 13 124.70 0.25 A 95 TRP N N 15 119.19 0.15 A 95 TRP NE1 N 15 128.37 0.15 A 96 ILE H H 1 7.85 0.02 A 96 ILE HA H 1 3.81 0.02 A 96 ILE HB H 1 1.94 0.02 A 96 ILE HD1% H 1 0.69 0.02 A 96 ILE HG1x H 1 1.11 0.02 A 96 ILE HG1y H 1 1.42 0.02 A 96 ILE HG2% H 1 0.84 0.02 A 96 ILE C C 13 179.30 0.25 A 96 ILE CA C 13 64.54 0.25 A 96 ILE CB C 13 37.13 0.25 A 96 ILE CD1 C 13 12.46 0.25 A 96 ILE CG1 C 13 28.27 0.25 A 96 ILE CG2 C 13 17.33 0.25 A 96 ILE N N 15 119.57 0.15 A 97 THR H H 1 7.90 0.02 A 97 THR HA H 1 3.83 0.02 A 97 THR HB H 1 4.19 0.02 A 97 THR HG2% H 1 1.13 0.02 A 97 THR C C 13 177.08 0.25 A 97 THR CA C 13 66.43 0.25 A 97 THR CB C 13 68.45 0.25 A 97 THR CG2 C 13 21.59 0.25 A 97 THR N N 15 117.03 0.15 A 98 LEU H H 1 7.83 0.02 A 98 LEU HA H 1 3.93 0.02 A 98 LEU HBy H 1 1.60 0.02 A 98 LEU HBx H 1 1.59 0.02 A 98 LEU HDx% H 1 0.50 0.02 A 98 LEU HDy% H 1 0.47 0.02 A 98 LEU HG H 1 1.17 0.02 A 98 LEU C C 13 178.16 0.25 A 98 LEU CA C 13 57.73 0.25 A 98 LEU CB C 13 41.54 0.25 A 98 LEU CDx C 13 23.98 0.25 A 98 LEU CDy C 13 25.93 0.25 A 98 LEU N N 15 123.11 0.15 A 99 GLU H H 1 8.56 0.02 A 99 GLU HA H 1 3.88 0.02 A 99 GLU HBx H 1 2.10 0.02 A 99 GLU HBy H 1 2.21 0.02 A 99 GLU HGx H 1 2.21 0.02 A 99 GLU HGy H 1 2.36 0.02 A 99 GLU C C 13 179.01 0.25 A 99 GLU CA C 13 59.92 0.25 A 99 GLU CB C 13 29.35 0.25 A 99 GLU CG C 13 36.45 0.25 A 99 GLU N N 15 120.52 0.15 A 100 LYS H H 1 7.80 0.02 A 100 LYS HA H 1 4.03 0.02 A 100 LYS HBx H 1 1.78 0.02 A 100 LYS HBy H 1 1.85 0.02 A 100 LYS HDx H 1 1.61 0.02 A 100 LYS HDy H 1 1.63 0.02 A 100 LYS HEx H 1 2.85 0.02 A 100 LYS HEy H 1 2.85 0.02 A 100 LYS HGx H 1 1.34 0.02 A 100 LYS HGy H 1 1.38 0.02 A 100 LYS C C 13 177.87 0.25 A 100 LYS CA C 13 58.57 0.25 A 100 LYS CB C 13 31.72 0.25 A 100 LYS CD C 13 28.90 0.25 A 100 LYS CE C 13 41.86 0.25 A 100 LYS CG C 13 24.67 0.25 A 100 LYS N N 15 119.95 0.15 A 101 ALA H H 1 7.80 0.02 A 101 ALA HA H 1 4.02 0.02 A 101 ALA HB% H 1 1.37 0.02 A 101 ALA C C 13 180.99 0.25 A 101 ALA CA C 13 55.12 0.25 A 101 ALA CB C 13 17.58 0.25 A 101 ALA N N 15 120.69 0.15 A 102 TYR H H 1 8.58 0.02 A 102 TYR HA H 1 4.32 0.02 A 102 TYR HBy H 1 3.19 0.02 A 102 TYR HBx H 1 2.90 0.02 A 102 TYR HDx H 1 7.03 0.02 A 102 TYR HDy H 1 7.03 0.02 A 102 TYR HEx H 1 6.69 0.02 A 102 TYR HEy H 1 6.69 0.02 A 102 TYR C C 13 178.59 0.25 A 102 TYR CA C 13 59.81 0.25 A 102 TYR CB C 13 38.69 0.25 A 102 TYR CDx C 13 133.39 0.25 A 102 TYR CDy C 13 133.39 0.25 A 102 TYR CEx C 13 118.33 0.25 A 102 TYR CEy C 13 118.33 0.25 A 102 TYR N N 15 118.44 0.15 A 103 GLU H H 1 8.29 0.02 A 103 GLU HA H 1 3.59 0.02 A 103 GLU HBy H 1 2.07 0.02 A 103 GLU HBx H 1 2.00 0.02 A 103 GLU HGx H 1 2.29 0.02 A 103 GLU HGy H 1 2.42 0.02 A 103 GLU C C 13 178.10 0.25 A 103 GLU CA C 13 59.08 0.25 A 103 GLU CB C 13 29.42 0.25 A 103 GLU CG C 13 35.99 0.25 A 103 GLU N N 15 120.86 0.15 A 104 ASP H H 1 8.12 0.02 A 104 ASP HA H 1 4.61 0.02 A 104 ASP HBx H 1 2.47 0.02 A 104 ASP HBy H 1 2.76 0.02 A 104 ASP C C 13 174.97 0.25 A 104 ASP CA C 13 54.12 0.25 A 104 ASP CB C 13 40.48 0.25 A 104 ASP N N 15 116.12 0.15 A 105 ALA H H 1 7.71 0.02 A 105 ALA HA H 1 4.15 0.02 A 105 ALA HB% H 1 1.28 0.02 A 105 ALA C C 13 177.13 0.25 A 105 ALA CA C 13 52.64 0.25 A 105 ALA CB C 13 16.30 0.25 A 105 ALA N N 15 123.33 0.15 A 106 GLU H H 1 8.44 0.02 A 106 GLU HA H 1 4.30 0.02 A 106 GLU HBy H 1 1.97 0.02 A 106 GLU HBx H 1 1.69 0.02 A 106 GLU HGx H 1 2.17 0.02 A 106 GLU HGy H 1 2.25 0.02 A 106 GLU C C 13 176.73 0.25 A 106 GLU CA C 13 55.44 0.25 A 106 GLU CB C 13 31.76 0.25 A 106 GLU CG C 13 36.21 0.25 A 106 GLU N N 15 118.95 0.15 A 107 THR H H 1 8.74 0.02 A 107 THR HA H 1 4.55 0.02 A 107 THR HB H 1 3.98 0.02 A 107 THR HG2% H 1 1.09 0.02 A 107 THR C C 13 174.25 0.25 A 107 THR CA C 13 62.36 0.25 A 107 THR CB C 13 69.39 0.25 A 107 THR CG2 C 13 23.55 0.25 A 107 THR N N 15 118.78 0.15 A 108 VAL H H 1 9.04 0.02 A 108 VAL HA H 1 4.63 0.02 A 108 VAL HB H 1 2.00 0.02 A 108 VAL HGx% H 1 0.70 0.02 A 108 VAL HGy% H 1 0.54 0.02 A 108 VAL C C 13 174.44 0.25 A 108 VAL CA C 13 59.00 0.25 A 108 VAL CB C 13 34.65 0.25 A 108 VAL CGy C 13 21.80 0.25 A 108 VAL CGx C 13 19.36 0.25 A 108 VAL N N 15 120.54 0.15 A 109 THR H H 1 8.17 0.02 A 109 THR HA H 1 5.38 0.02 A 109 THR HB H 1 3.88 0.02 A 109 THR HG2% H 1 1.00 0.02 A 109 THR C C 13 174.58 0.25 A 109 THR CA C 13 60.41 0.25 A 109 THR CB C 13 70.61 0.25 A 109 THR CG2 C 13 21.75 0.25 A 109 THR N N 15 115.10 0.15 A 110 GLY H H 1 8.78 0.02 A 110 GLY HAy H 1 4.66 0.02 A 110 GLY HAx H 1 3.63 0.02 A 110 GLY C C 13 170.81 0.25 A 110 GLY CA C 13 45.38 0.25 A 110 GLY N N 15 108.58 0.15 A 111 VAL H H 1 7.81 0.02 A 111 VAL HA H 1 4.78 0.02 A 111 VAL HB H 1 1.82 0.02 A 111 VAL HGx% H 1 0.77 0.02 A 111 VAL HGy% H 1 0.71 0.02 A 111 VAL C C 13 176.06 0.25 A 111 VAL CA C 13 59.77 0.25 A 111 VAL CB C 13 35.75 0.25 A 111 VAL CGy C 13 20.79 0.25 A 111 VAL CGx C 13 20.70 0.25 A 111 VAL N N 15 116.93 0.15 A 112 ILE H H 1 9.24 0.02 A 112 ILE HA H 1 4.23 0.02 A 112 ILE HB H 1 1.87 0.02 A 112 ILE HD1% H 1 0.40 0.02 A 112 ILE HG1y H 1 1.70 0.02 A 112 ILE HG1x H 1 0.83 0.02 A 112 ILE HG2% H 1 0.86 0.02 A 112 ILE C C 13 176.18 0.25 A 112 ILE CA C 13 62.22 0.25 A 112 ILE CB C 13 37.48 0.25 A 112 ILE CD1 C 13 13.42 0.25 A 112 ILE CG1 C 13 28.54 0.25 A 112 ILE CG2 C 13 17.66 0.25 A 112 ILE N N 15 127.06 0.15 A 113 ASN H H 1 9.01 0.02 A 113 ASN HA H 1 4.94 0.02 A 113 ASN HBy H 1 2.73 0.02 A 113 ASN HBx H 1 2.51 0.02 A 113 ASN HD21 H 1 6.54 0.02 A 113 ASN HD22 H 1 7.52 0.02 A 113 ASN C C 13 175.02 0.25 A 113 ASN CA C 13 52.29 0.25 A 113 ASN CB C 13 39.58 0.25 A 113 ASN N N 15 127.51 0.15 A 113 ASN ND2 N 15 110.09 0.15 A 114 GLY H H 1 7.62 0.02 A 114 GLY HAx H 1 4.04 0.02 A 114 GLY HAy H 1 4.11 0.02 A 114 GLY C C 13 171.36 0.25 A 114 GLY CA C 13 45.52 0.25 A 114 GLY N N 15 107.15 0.15 A 115 LYS H H 1 8.55 0.02 A 115 LYS HA H 1 4.59 0.02 A 115 LYS HBx H 1 1.57 0.02 A 115 LYS HBy H 1 1.69 0.02 A 115 LYS HE3 H 1 2.81 0.02 A 115 LYS HGy H 1 1.46 0.02 A 115 LYS HGx H 1 1.20 0.02 A 115 LYS C C 13 175.95 0.25 A 115 LYS CA C 13 55.94 0.25 A 115 LYS CB C 13 34.04 0.25 A 115 LYS CD C 13 29.08 0.25 A 115 LYS CE C 13 41.91 0.25 A 115 LYS CG C 13 24.81 0.25 A 115 LYS N N 15 121.67 0.15 A 116 VAL H H 1 8.07 0.02 A 116 VAL HA H 1 4.47 0.02 A 116 VAL HB H 1 2.15 0.02 A 116 VAL HGx% H 1 0.55 0.02 A 116 VAL HGy% H 1 0.73 0.02 A 116 VAL C C 13 175.11 0.25 A 116 VAL CA C 13 59.03 0.25 A 116 VAL CB C 13 35.50 0.25 A 116 VAL CGx C 13 18.44 0.25 A 116 VAL CGy C 13 22.27 0.25 A 116 VAL N N 15 118.75 0.15 A 117 LYS H H 1 8.25 0.02 A 117 LYS HA H 1 3.93 0.02 A 117 LYS HBx H 1 1.57 0.02 A 117 LYS HBy H 1 1.62 0.02 A 117 LYS HDx H 1 1.56 0.02 A 117 LYS HDy H 1 1.58 0.02 A 117 LYS HE3 H 1 2.91 0.02 A 117 LYS C C 13 177.97 0.25 A 117 LYS CA C 13 58.67 0.25 A 117 LYS CB C 13 30.94 0.25 A 117 LYS CD C 13 28.99 0.25 A 117 LYS CE C 13 41.86 0.25 A 117 LYS CG C 13 24.73 0.25 A 117 LYS N N 15 122.52 0.15 A 118 GLY H H 1 8.82 0.02 A 118 GLY HAy H 1 4.27 0.02 A 118 GLY HAx H 1 3.85 0.02 A 118 GLY C C 13 175.54 0.25 A 118 GLY CA C 13 45.20 0.25 A 118 GLY N N 15 113.44 0.15 A 119 GLY H H 1 7.93 0.02 A 119 GLY HAx H 1 3.35 0.02 A 119 GLY HAy H 1 4.47 0.02 A 119 GLY C C 13 170.53 0.25 A 119 GLY CA C 13 46.84 0.25 A 119 GLY N N 15 109.13 0.15 A 120 PHE H H 1 8.82 0.02 A 120 PHE HA H 1 5.27 0.02 A 120 PHE HBy H 1 3.31 0.02 A 120 PHE HBx H 1 2.47 0.02 A 120 PHE HDx H 1 6.96 0.02 A 120 PHE HDy H 1 6.96 0.02 A 120 PHE HEx H 1 7.26 0.02 A 120 PHE HEy H 1 7.26 0.02 A 120 PHE HZ H 1 6.96 0.02 A 120 PHE C C 13 174.26 0.25 A 120 PHE CA C 13 56.34 0.25 A 120 PHE CB C 13 43.73 0.25 A 120 PHE N N 15 123.37 0.15 A 121 THR H H 1 8.67 0.02 A 121 THR HA H 1 5.00 0.02 A 121 THR HB H 1 4.02 0.02 A 121 THR HG2% H 1 1.09 0.02 A 121 THR C C 13 173.78 0.25 A 121 THR CA C 13 60.50 0.25 A 121 THR CB C 13 69.91 0.25 A 121 THR CG2 C 13 22.29 0.25 A 121 THR N N 15 114.67 0.15 A 122 VAL H H 1 8.56 0.02 A 122 VAL HA H 1 4.60 0.02 A 122 VAL HB H 1 1.10 0.02 A 122 VAL HGx% H 1 0.07 0.02 A 122 VAL HGy% H 1 0.31 0.02 A 122 VAL C C 13 174.24 0.25 A 122 VAL CA C 13 59.30 0.25 A 122 VAL CB C 13 35.86 0.25 A 122 VAL CGx C 13 21.42 0.25 A 122 VAL CGy C 13 23.20 0.25 A 122 VAL N N 15 124.34 0.15 A 123 GLU H H 1 8.95 0.02 A 123 GLU HA H 1 4.61 0.02 A 123 GLU HBx H 1 1.80 0.02 A 123 GLU HBy H 1 1.86 0.02 A 123 GLU HGy H 1 1.99 0.02 A 123 GLU HGx H 1 1.98 0.02 A 123 GLU C C 13 175.84 0.25 A 123 GLU CA C 13 55.16 0.25 A 123 GLU CB C 13 30.91 0.25 A 123 GLU CG C 13 36.20 0.25 A 123 GLU N N 15 126.95 0.15 A 124 LEU H H 1 8.94 0.02 A 124 LEU HA H 1 4.66 0.02 A 124 LEU HBx H 1 1.29 0.02 A 124 LEU HBy H 1 1.41 0.02 A 124 LEU HDx% H 1 0.36 0.02 A 124 LEU HDy% H 1 0.37 0.02 A 124 LEU HG H 1 1.15 0.02 A 124 LEU C C 13 175.35 0.25 A 124 LEU CA C 13 53.20 0.25 A 124 LEU CB C 13 42.19 0.25 A 124 LEU CDy C 13 27.26 0.25 A 124 LEU CDx C 13 25.28 0.25 A 124 LEU CG C 13 26.26 0.25 A 124 LEU N N 15 129.58 0.15 A 125 ASN H H 1 8.95 0.02 A 125 ASN HA H 1 4.19 0.02 A 125 ASN HBx H 1 2.50 0.02 A 125 ASN HBy H 1 2.95 0.02 A 125 ASN HD21 H 1 6.79 0.02 A 125 ASN HD22 H 1 7.37 0.02 A 125 ASN C C 13 174.69 0.25 A 125 ASN CA C 13 53.88 0.25 A 125 ASN CB C 13 37.25 0.25 A 125 ASN N N 15 121.88 0.15 A 125 ASN ND2 N 15 111.35 0.15 A 126 GLY H H 1 8.07 0.02 A 126 GLY HAx H 1 3.44 0.02 A 126 GLY HAy H 1 4.04 0.02 A 126 GLY C C 13 173.68 0.25 A 126 GLY CA C 13 44.88 0.25 A 126 GLY N N 15 103.14 0.15 A 127 ILE H H 1 7.38 0.02 A 127 ILE HA H 1 3.97 0.02 A 127 ILE HB H 1 1.56 0.02 A 127 ILE HD1% H 1 -0.03 0.02 A 127 ILE HG1y H 1 0.93 0.02 A 127 ILE HG1x H 1 0.63 0.02 A 127 ILE HG2% H 1 0.34 0.02 A 127 ILE C C 13 174.37 0.25 A 127 ILE CA C 13 59.53 0.25 A 127 ILE CB C 13 38.97 0.25 A 127 ILE CD1 C 13 11.62 0.25 A 127 ILE CG1 C 13 27.82 0.25 A 127 ILE CG2 C 13 17.24 0.25 A 127 ILE N N 15 122.12 0.15 A 128 ARG H H 1 8.17 0.02 A 128 ARG HA H 1 4.64 0.02 A 128 ARG HB3 H 1 1.67 0.02 A 128 ARG HD2 H 1 3.07 0.02 A 128 ARG HD3 H 1 3.07 0.02 A 128 ARG HGy H 1 1.56 0.02 A 128 ARG HGx H 1 1.45 0.02 A 128 ARG C C 13 174.72 0.25 A 128 ARG CA C 13 55.65 0.25 A 128 ARG CB C 13 31.00 0.25 A 128 ARG CD C 13 43.41 0.25 A 128 ARG CG C 13 27.64 0.25 A 128 ARG N N 15 126.63 0.15 A 129 ALA H H 1 9.24 0.02 A 129 ALA HA H 1 4.85 0.02 A 129 ALA HB% H 1 0.84 0.02 A 129 ALA C C 13 174.97 0.25 A 129 ALA CA C 13 49.66 0.25 A 129 ALA CB C 13 24.39 0.25 A 129 ALA N N 15 127.32 0.15 A 130 PHE H H 1 8.66 0.02 A 130 PHE HA H 1 5.16 0.02 A 130 PHE HBy H 1 3.06 0.02 A 130 PHE HBx H 1 2.82 0.02 A 130 PHE HDx H 1 7.03 0.02 A 130 PHE HDy H 1 7.03 0.02 A 130 PHE HEx H 1 7.00 0.02 A 130 PHE HEy H 1 7.00 0.02 A 130 PHE HZ H 1 6.71 0.02 A 130 PHE C C 13 172.43 0.25 A 130 PHE CA C 13 55.00 0.25 A 130 PHE CB C 13 42.40 0.25 A 130 PHE N N 15 121.06 0.15 A 131 LEU H H 1 8.55 0.02 A 131 LEU HA H 1 4.98 0.02 A 131 LEU HDx% H 1 0.68 0.02 A 131 LEU HDy% H 1 0.67 0.02 A 131 LEU CA C 13 49.67 0.25 A 131 LEU CB C 13 44.33 0.25 A 131 LEU CDy C 13 26.75 0.25 A 131 LEU CDx C 13 26.05 0.25 A 131 LEU N N 15 130.25 0.15 A 132 PRO HA H 1 4.00 0.02 A 132 PRO C C 13 179.38 0.25 A 132 PRO CA C 13 62.16 0.25 A 133 GLY H H 1 9.14 0.02 A 133 GLY HAy H 1 4.05 0.02 A 133 GLY HAx H 1 3.75 0.02 A 133 GLY C C 13 175.59 0.25 A 133 GLY CA C 13 47.53 0.25 A 133 GLY N N 15 111.47 0.15 A 134 SER HA H 1 4.35 0.02 A 134 SER HBy H 1 3.90 0.02 A 134 SER HBx H 1 3.84 0.02 A 134 SER C C 13 175.28 0.25 A 134 SER CA C 13 59.21 0.25 A 134 SER CB C 13 62.73 0.25 A 135 LEU H H 1 8.03 0.02 A 135 LEU HA H 1 4.58 0.02 A 135 LEU C C 13 177.50 0.25 A 135 LEU CA C 13 53.77 0.25 A 135 LEU N N 15 118.77 0.15 A 136 VAL H H 1 7.55 0.02 A 136 VAL HA H 1 3.61 0.02 A 136 VAL HB H 1 2.04 0.02 A 136 VAL HGx% H 1 0.78 0.02 A 136 VAL HGy% H 1 0.96 0.02 A 136 VAL C C 13 173.15 0.25 A 136 VAL CA C 13 65.22 0.25 A 136 VAL CB C 13 32.02 0.25 A 136 VAL CGx C 13 21.77 0.25 A 136 VAL CGy C 13 23.02 0.25 A 136 VAL N N 15 123.08 0.15 A 137 ASP H H 1 7.94 0.02 A 137 ASP HA H 1 4.34 0.02 A 137 ASP HBx H 1 2.26 0.02 A 137 ASP HBy H 1 2.94 0.02 A 137 ASP C C 13 174.84 0.25 A 137 ASP CA C 13 52.07 0.25 A 137 ASP CB C 13 44.46 0.25 A 137 ASP N N 15 117.30 0.15 A 138 VAL H H 1 10.00 0.02 A 138 VAL HA H 1 4.14 0.02 A 138 VAL HB H 1 2.01 0.02 A 138 VAL HGx% H 1 0.85 0.02 A 138 VAL HGy% H 1 0.84 0.02 A 138 VAL CA C 13 61.19 0.25 A 138 VAL CB C 13 33.33 0.25 A 138 VAL CGx C 13 20.55 0.25 A 138 VAL CGy C 13 21.80 0.25 A 138 VAL N N 15 116.75 0.15 A 140 PRO HA H 1 4.51 0.02 A 140 PRO HDx H 1 3.49 0.02 A 140 PRO HDy H 1 3.69 0.02 A 140 PRO C C 13 175.86 0.25 A 140 PRO CD C 13 50.50 0.25 A 141 VAL H H 1 8.11 0.02 A 141 VAL HA H 1 3.90 0.02 A 141 VAL HB H 1 2.19 0.02 A 141 VAL HGx% H 1 0.82 0.02 A 141 VAL HGy% H 1 0.86 0.02 A 141 VAL C C 13 175.12 0.25 A 141 VAL CA C 13 62.72 0.25 A 141 VAL CB C 13 31.87 0.25 A 141 VAL CGx C 13 19.44 0.25 A 141 VAL CGy C 13 22.12 0.25 A 141 VAL N N 15 124.91 0.15 A 142 ARG H H 1 7.44 0.02 A 142 ARG HA H 1 4.62 0.02 A 142 ARG HBx H 1 1.57 0.02 A 142 ARG HBy H 1 1.73 0.02 A 142 ARG HDx H 1 3.08 0.02 A 142 ARG HDy H 1 3.09 0.02 A 142 ARG HGx H 1 1.44 0.02 A 142 ARG HGy H 1 1.53 0.02 A 142 ARG C C 13 173.52 0.25 A 142 ARG CA C 13 53.02 0.25 A 142 ARG CB C 13 30.48 0.25 A 142 ARG CD C 13 42.90 0.25 A 142 ARG CG C 13 26.42 0.25 A 142 ARG N N 15 119.73 0.15 A 143 ASP H H 1 7.88 0.02 A 143 ASP HA H 1 4.67 0.02 A 143 ASP HBx H 1 2.61 0.02 A 143 ASP HBy H 1 2.70 0.02 A 143 ASP C C 13 175.97 0.25 A 143 ASP CA C 13 54.03 0.25 A 143 ASP CB C 13 41.73 0.25 A 143 ASP N N 15 119.78 0.15 A 144 THR H H 1 8.03 0.02 A 144 THR HA H 1 4.11 0.02 A 144 THR HB H 1 4.29 0.02 A 144 THR HG2% H 1 0.94 0.02 A 144 THR C C 13 175.73 0.25 A 144 THR CA C 13 61.52 0.25 A 144 THR CB C 13 68.61 0.25 A 144 THR CG2 C 13 21.70 0.25 A 144 THR N N 15 110.06 0.15 A 145 LEU H H 1 8.05 0.02 A 145 LEU HA H 1 4.70 0.02 A 145 LEU HBx H 1 1.47 0.02 A 145 LEU HBy H 1 1.60 0.02 A 145 LEU HDx% H 1 0.77 0.02 A 145 LEU HDy% H 1 0.84 0.02 A 145 LEU C C 13 178.01 0.25 A 145 LEU CA C 13 57.35 0.25 A 145 LEU CB C 13 42.10 0.25 A 145 LEU CDx C 13 24.12 0.25 A 145 LEU CDy C 13 24.44 0.25 A 145 LEU CG C 13 27.05 0.25 A 145 LEU N N 15 124.82 0.15 A 146 HIS H H 1 8.12 0.02 A 146 HIS HA H 1 4.54 0.02 A 146 HIS HBx H 1 2.06 0.02 A 146 HIS HBy H 1 3.02 0.02 A 146 HIS HD2 H 1 6.96 0.02 A 146 HIS HE1 H 1 7.98 0.02 A 146 HIS C C 13 175.00 0.25 A 146 HIS CD2 C 13 120.34 0.25 A 146 HIS CE1 C 13 136.89 0.25 A 146 HIS N N 15 116.31 0.15 A 147 LEU H H 1 7.62 0.02 A 147 LEU HA H 1 4.07 0.02 A 147 LEU HB3 H 1 1.23 0.02 A 147 LEU HDx% H 1 0.37 0.02 A 147 LEU HDy% H 1 0.48 0.02 A 147 LEU HG H 1 0.85 0.02 A 147 LEU C C 13 176.81 0.25 A 147 LEU CA C 13 54.71 0.25 A 147 LEU CB C 13 41.96 0.25 A 147 LEU CDy C 13 25.28 0.25 A 147 LEU CDx C 13 22.31 0.25 A 147 LEU CG C 13 25.76 0.25 A 147 LEU N N 15 120.32 0.15 A 148 GLU H H 1 7.76 0.02 A 148 GLU HA H 1 3.78 0.02 A 148 GLU HBx H 1 1.84 0.02 A 148 GLU HBy H 1 1.89 0.02 A 148 GLU HGx H 1 2.10 0.02 A 148 GLU HGy H 1 2.21 0.02 A 148 GLU C C 13 177.48 0.25 A 148 GLU CA C 13 58.43 0.25 A 148 GLU CB C 13 29.68 0.25 A 148 GLU CG C 13 36.72 0.25 A 148 GLU N N 15 118.95 0.15 A 149 GLY H H 1 8.63 0.02 A 149 GLY HAy H 1 4.05 0.02 A 149 GLY HAx H 1 3.58 0.02 A 149 GLY C C 13 173.82 0.25 A 149 GLY CA C 13 45.53 0.25 A 149 GLY N N 15 111.07 0.15 A 150 LYS H H 1 7.52 0.02 A 150 LYS HA H 1 4.33 0.02 A 150 LYS HDy H 1 1.63 0.02 A 150 LYS HDx H 1 1.52 0.02 A 150 LYS HEy H 1 2.89 0.02 A 150 LYS HEx H 1 2.88 0.02 A 150 LYS HGy H 1 1.25 0.02 A 150 LYS HGx H 1 1.17 0.02 A 150 LYS C C 13 175.11 0.25 A 150 LYS CA C 13 55.17 0.25 A 150 LYS CB C 13 33.55 0.25 A 150 LYS CD C 13 28.61 0.25 A 150 LYS CE C 13 41.99 0.25 A 150 LYS CG C 13 24.81 0.25 A 150 LYS N N 15 119.38 0.15 A 151 GLU H H 1 8.41 0.02 A 151 GLU HA H 1 4.47 0.02 A 151 GLU HBx H 1 1.78 0.02 A 151 GLU HBy H 1 1.88 0.02 A 151 GLU HGx H 1 1.89 0.02 A 151 GLU HGy H 1 2.06 0.02 A 151 GLU C C 13 175.51 0.25 A 151 GLU CA C 13 56.34 0.25 A 151 GLU CB C 13 30.01 0.25 A 151 GLU CG C 13 36.97 0.25 A 151 GLU N N 15 122.85 0.15 A 152 LEU H H 1 8.85 0.02 A 152 LEU HA H 1 4.54 0.02 A 152 LEU C C 13 173.75 0.25 A 152 LEU CA C 13 52.82 0.25 A 152 LEU N N 15 127.52 0.15 A 153 GLU H H 1 7.11 0.02 A 153 GLU HA H 1 4.58 0.02 A 153 GLU HBy H 1 1.83 0.02 A 153 GLU HBx H 1 1.60 0.02 A 153 GLU HGx H 1 1.65 0.02 A 153 GLU HGy H 1 2.07 0.02 A 153 GLU C C 13 175.12 0.25 A 153 GLU CA C 13 55.16 0.25 A 153 GLU CG C 13 36.97 0.25 A 153 GLU N N 15 116.50 0.15 A 154 PHE H H 1 8.91 0.02 A 154 PHE HA H 1 4.86 0.02 A 154 PHE HBx H 1 2.21 0.02 A 154 PHE HBy H 1 2.85 0.02 A 154 PHE HDx H 1 6.74 0.02 A 154 PHE HDy H 1 6.74 0.02 A 154 PHE HEx H 1 6.86 0.02 A 154 PHE HEy H 1 6.86 0.02 A 154 PHE HZ H 1 6.72 0.02 A 154 PHE C C 13 175.63 0.25 A 154 PHE CA C 13 57.19 0.25 A 154 PHE CB C 13 44.25 0.25 A 154 PHE N N 15 115.15 0.15 A 155 LYS H H 1 8.10 0.02 A 155 LYS HA H 1 4.71 0.02 A 155 LYS C C 13 176.50 0.25 A 155 LYS CA C 13 53.60 0.25 A 155 LYS CB C 13 33.96 0.25 A 155 LYS CE C 13 41.79 0.25 A 155 LYS N N 15 114.56 0.15 A 156 VAL H H 1 9.92 0.02 A 156 VAL HB H 1 1.98 0.02 A 156 VAL HGx% H 1 0.72 0.02 A 156 VAL HGy% H 1 0.72 0.02 A 156 VAL C C 13 175.63 0.25 A 156 VAL CA C 13 62.69 0.25 A 156 VAL CB C 13 31.60 0.25 A 156 VAL CGx C 13 21.52 0.25 A 156 VAL CGy C 13 22.93 0.25 A 156 VAL N N 15 124.53 0.15 A 157 ILE H H 1 8.53 0.02 A 157 ILE HA H 1 4.72 0.02 A 157 ILE HB H 1 1.97 0.02 A 157 ILE HD1% H 1 0.69 0.02 A 157 ILE HG2% H 1 0.76 0.02 A 157 ILE C C 13 176.19 0.25 A 157 ILE CA C 13 61.05 0.25 A 157 ILE CB C 13 39.17 0.25 A 157 ILE CD1 C 13 14.04 0.25 A 157 ILE CG1 C 13 26.86 0.25 A 157 ILE CG2 C 13 18.48 0.25 A 157 ILE N N 15 119.59 0.15 A 158 LYS H H 1 7.60 0.02 A 158 LYS HA H 1 4.20 0.02 A 158 LYS HG3 H 1 1.33 0.02 A 158 LYS C C 13 173.00 0.25 A 158 LYS CA C 13 56.80 0.25 A 158 LYS CB C 13 35.64 0.25 A 158 LYS CE C 13 43.01 0.25 A 158 LYS N N 15 122.46 0.15 A 159 LEU H H 1 7.95 0.02 A 159 LEU HA H 1 4.62 0.02 A 159 LEU HB3 H 1 1.25 0.02 A 159 LEU HD1% H 1 0.70 0.02 A 159 LEU C C 13 174.39 0.25 A 159 LEU CA C 13 54.51 0.25 A 159 LEU N N 15 125.43 0.15 A 160 ASP H H 1 8.76 0.02 A 160 ASP HA H 1 4.67 0.02 A 160 ASP HBx H 1 2.39 0.02 A 160 ASP HBy H 1 2.43 0.02 A 160 ASP C C 13 176.02 0.25 A 160 ASP CA C 13 52.62 0.25 A 160 ASP CB C 13 42.05 0.25 A 160 ASP N N 15 124.74 0.15 A 161 GLN H H 1 9.11 0.02 A 161 GLN HA H 1 3.12 0.02 A 161 GLN HBx H 1 1.50 0.02 A 161 GLN HBy H 1 1.55 0.02 A 161 GLN HE21 H 1 6.61 0.02 A 161 GLN HE22 H 1 7.01 0.02 A 161 GLN HGx H 1 1.23 0.02 A 161 GLN HGy H 1 1.56 0.02 A 161 GLN C C 13 178.28 0.25 A 161 GLN CA C 13 58.77 0.25 A 161 GLN CB C 13 27.84 0.25 A 161 GLN CG C 13 32.85 0.25 A 161 GLN N N 15 126.49 0.15 A 161 GLN NE2 N 15 110.77 0.15 A 162 LYS H H 1 8.07 0.02 A 162 LYS HA H 1 3.80 0.02 A 162 LYS C C 13 177.90 0.25 A 162 LYS CA C 13 58.70 0.25 A 162 LYS CB C 13 31.39 0.25 A 162 LYS CD C 13 28.88 0.25 A 162 LYS CE C 13 41.83 0.25 A 162 LYS CG C 13 24.86 0.25 A 162 LYS N N 15 119.15 0.15 A 163 ARG H H 1 7.01 0.02 A 163 ARG HA H 1 4.15 0.02 A 163 ARG HBy H 1 1.85 0.02 A 163 ARG HBx H 1 1.44 0.02 A 163 ARG C C 13 174.75 0.25 A 163 ARG CA C 13 54.80 0.25 A 163 ARG N N 15 114.85 0.15 A 164 ASN H H 1 7.75 0.02 A 164 ASN HA H 1 4.13 0.02 A 164 ASN HBx H 1 2.52 0.02 A 164 ASN HBy H 1 3.04 0.02 A 164 ASN HD21 H 1 7.26 0.02 A 164 ASN HD22 H 1 6.55 0.02 A 164 ASN C C 13 173.88 0.25 A 164 ASN CA C 13 53.96 0.25 A 164 ASN CB C 13 37.53 0.25 A 164 ASN N N 15 117.81 0.15 A 164 ASN ND2 N 15 111.04 0.15 A 165 ASN H H 1 8.02 0.02 A 165 ASN HA H 1 5.06 0.02 A 165 ASN HBx H 1 2.35 0.02 A 165 ASN HBy H 1 2.57 0.02 A 165 ASN HD21 H 1 7.46 0.02 A 165 ASN HD22 H 1 6.48 0.02 A 165 ASN C C 13 172.99 0.25 A 165 ASN CA C 13 52.44 0.25 A 165 ASN CB C 13 41.82 0.25 A 165 ASN N N 15 116.17 0.15 A 165 ASN ND2 N 15 110.40 0.15 A 166 VAL H H 1 8.38 0.02 A 166 VAL HA H 1 4.50 0.02 A 166 VAL HB H 1 1.88 0.02 A 166 VAL HG2% H 1 0.75 0.02 A 166 VAL C C 13 174.19 0.25 A 166 VAL CA C 13 61.03 0.25 A 166 VAL CB C 13 34.62 0.25 A 166 VAL CG2 C 13 21.92 0.25 A 166 VAL N N 15 124.79 0.15 A 167 VAL H H 1 8.71 0.02 A 167 VAL HA H 1 5.25 0.02 A 167 VAL HB H 1 1.76 0.02 A 167 VAL HGx% H 1 0.96 0.02 A 167 VAL HGy% H 1 0.97 0.02 A 167 VAL C C 13 176.00 0.25 A 167 VAL CA C 13 60.61 0.25 A 167 VAL CB C 13 33.90 0.25 A 167 VAL CGx C 13 21.53 0.25 A 167 VAL CGy C 13 21.55 0.25 A 167 VAL N N 15 128.00 0.15 A 168 VAL H H 1 8.56 0.02 A 168 VAL HA H 1 5.24 0.02 A 168 VAL HB H 1 1.86 0.02 A 168 VAL HGx% H 1 -0.04 0.02 A 168 VAL HGy% H 1 0.36 0.02 A 168 VAL C C 13 172.80 0.25 A 168 VAL CA C 13 57.86 0.25 A 168 VAL CB C 13 35.35 0.25 A 168 VAL CGx C 13 18.18 0.25 A 168 VAL CGy C 13 22.04 0.25 A 168 VAL N N 15 118.36 0.15 A 169 SER H H 1 8.60 0.02 A 169 SER HA H 1 4.48 0.02 A 169 SER HBx H 1 3.60 0.02 A 169 SER HBy H 1 3.66 0.02 A 169 SER C C 13 175.95 0.25 A 169 SER CA C 13 55.55 0.25 A 169 SER CB C 13 64.98 0.25 A 169 SER N N 15 106.72 0.15 A 170 ARG H H 1 7.61 0.02 A 170 ARG HA H 1 4.71 0.02 A 170 ARG C C 13 177.87 0.25 A 170 ARG CA C 13 57.15 0.25 A 170 ARG N N 15 129.62 0.15 A 171 ARG H H 1 8.26 0.02 A 171 ARG HA H 1 3.47 0.02 A 171 ARG HB3 H 1 1.44 0.02 A 171 ARG HDx H 1 3.06 0.02 A 171 ARG HDy H 1 3.17 0.02 A 171 ARG HG3 H 1 1.22 0.02 A 171 ARG C C 13 175.76 0.25 A 171 ARG CA C 13 59.43 0.25 A 171 ARG CB C 13 30.41 0.25 A 171 ARG CD C 13 43.65 0.25 A 171 ARG CG C 13 27.11 0.25 A 171 ARG N N 15 122.23 0.15 A 172 ALA H H 1 7.76 0.02 A 172 ALA HA H 1 4.05 0.02 A 172 ALA HB% H 1 1.20 0.02 A 172 ALA C C 13 179.48 0.25 A 172 ALA CA C 13 54.01 0.25 A 172 ALA CB C 13 18.89 0.25 A 172 ALA N N 15 116.49 0.15 A 173 VAL H H 1 7.21 0.02 A 173 VAL HA H 1 3.47 0.02 A 173 VAL HB H 1 2.09 0.02 A 173 VAL HGx% H 1 0.81 0.02 A 173 VAL HGy% H 1 0.75 0.02 A 173 VAL C C 13 177.68 0.25 A 173 VAL CA C 13 65.08 0.25 A 173 VAL CB C 13 31.88 0.25 A 173 VAL CGy C 13 22.99 0.25 A 173 VAL CGx C 13 21.29 0.25 A 173 VAL N N 15 116.44 0.15 A 174 ILE H H 1 7.16 0.02 A 174 ILE HA H 1 3.68 0.02 A 174 ILE HB H 1 1.68 0.02 A 174 ILE HD1% H 1 0.75 0.02 A 174 ILE HG1y H 1 1.39 0.02 A 174 ILE HG1x H 1 1.09 0.02 A 174 ILE HG2% H 1 0.84 0.02 A 174 ILE C C 13 178.31 0.25 A 174 ILE CA C 13 63.77 0.25 A 174 ILE CB C 13 38.45 0.25 A 174 ILE CD1 C 13 13.55 0.25 A 174 ILE CG1 C 13 27.67 0.25 A 174 ILE CG2 C 13 17.67 0.25 A 174 ILE N N 15 119.79 0.15 A 175 GLU H H 1 8.25 0.02 A 175 GLU HA H 1 4.03 0.02 A 175 GLU HBy H 1 1.91 0.02 A 175 GLU HBx H 1 1.84 0.02 A 175 GLU HGx H 1 2.10 0.02 A 175 GLU HGy H 1 2.15 0.02 A 175 GLU C C 13 177.17 0.25 A 175 GLU CA C 13 57.19 0.25 A 175 GLU CB C 13 29.64 0.25 A 175 GLU CG C 13 36.14 0.25 A 175 GLU N N 15 117.81 0.15 A 176 SER H H 1 7.46 0.02 A 176 SER HA H 1 4.32 0.02 A 176 SER HBy H 1 3.89 0.02 A 176 SER HBx H 1 3.85 0.02 A 176 SER C C 13 174.93 0.25 A 176 SER CA C 13 59.06 0.25 A 176 SER CB C 13 63.64 0.25 A 176 SER N N 15 114.30 0.15 A 177 GLU H H 1 7.89 0.02 A 177 GLU HA H 1 4.17 0.02 A 177 GLU HBy H 1 1.96 0.02 A 177 GLU HBx H 1 1.89 0.02 A 177 GLU HGx H 1 2.13 0.02 A 177 GLU HGy H 1 2.23 0.02 A 177 GLU C C 13 176.34 0.25 A 177 GLU CA C 13 56.64 0.25 A 177 GLU CB C 13 29.75 0.25 A 177 GLU CG C 13 36.21 0.25 A 177 GLU N N 15 121.86 0.15 A 178 ASN H H 1 8.11 0.02 A 178 ASN HA H 1 4.70 0.02 A 178 ASN HBy H 1 2.77 0.02 A 178 ASN HBx H 1 2.62 0.02 A 178 ASN HD21 H 1 6.84 0.02 A 178 ASN HD22 H 1 7.52 0.02 A 178 ASN C C 13 174.23 0.25 A 178 ASN CA C 13 53.01 0.25 A 178 ASN CB C 13 39.08 0.25 A 178 ASN N N 15 119.03 0.15 A 178 ASN ND2 N 15 113.23 0.15 A 179 SER H H 1 7.76 0.02 A 179 SER HA H 1 4.15 0.02 A 179 SER HB2 H 1 3.75 0.02 A 179 SER HB3 H 1 3.75 0.02 A 179 SER CA C 13 59.92 0.25 A 179 SER CB C 13 64.68 0.25 A 179 SER N N 15 121.47 0.15 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 108 VAL HB A 109 THR H 1.0 . 2.89 2 2 A 94 ALA H A 94 ALA HB% 1.0 . 3.66 3 3 A 94 ALA HB% A 95 TRP H 1.0 . 3.48 4 4 A 95 TRP H A 96 ILE H 1.0 . 3.19 5 5 A 96 ILE H A 96 ILE HG2% 1.0 . 3.97 6 6 A 96 ILE H A 96 ILE HG1x 1.0 . 3.75 7 7 A 96 ILE H A 96 ILE HG1y 1.0 . 3.75 8 8 A 96 ILE H A 96 ILE HB 1.0 . 3.64 9 9 A 97 THR H A 97 THR HB 1.0 . 3.63 10 10 A 97 THR H A 97 THR HG2% 1.0 . 3.88 11 11 A 96 ILE HG2% A 97 THR H 1.0 . 4.08 12 12 A 96 ILE HB A 97 THR H 1.0 . 4.13 13 13 A 98 LEU H A 98 LEU HG 1.0 . 4.13 14 14 A 98 LEU HG A 99 GLU H 1.0 . 4.14 15 15 A 98 LEU H A 99 GLU H 1.0 . 3.51 16 16 A 99 GLU H A 100 LYS H 1.0 . 3.88 17 17 A 100 LYS H A 100 LYS HGx 1.0 . 4.31 18 18 A 100 LYS H A 100 LYS HGy 1.0 . 4.31 19 19 A 100 LYS H A 100 LYS HBy 1.0 . 3.75 20 20 A 100 LYS H A 100 LYS HBx 1.0 . 3.75 21 21 A 101 ALA H A 100 LYS HBx 1.0 . 4.08 22 22 A 101 ALA H A 101 ALA HB% 1.0 . 3.02 23 23 A 101 ALA H A 103 GLU H 1.0 . 4.17 24 24 A 102 TYR H A 102 TYR HD% 1.0 . 4.30 25 25 A 101 ALA HB% A 102 TYR H 1.0 . 3.56 26 26 A 102 TYR H A 102 TYR HBx 1.0 . 4.20 27 27 A 103 GLU H A 102 TYR H 1.0 . 2.86 28 28 A 104 ASP H A 104 ASP HBx 1.0 . 3.86 29 29 A 104 ASP H A 104 ASP HBy 1.0 . 3.86 30 30 A 104 ASP HA A 105 ALA H 1.0 . 3.53 31 31 A 105 ALA H A 105 ALA HB% 1.0 . 3.55 32 32 A 105 ALA H A 106 GLU H 1.0 . 3.83 33 33 A 104 ASP H A 105 ALA H 1.0 . 3.60 34 34 A 103 GLU H A 104 ASP H 1.0 . 3.20 35 35 A 106 GLU H A 156 VAL HB 1.0 . 4.04 36 36 A 107 THR H A 107 THR HB 1.0 . 3.72 37 37 A 107 THR H A 106 GLU HA 1.0 . 3.31 38 38 A 107 THR H A 107 THR HG2% 1.0 . 3.99 39 39 A 107 THR H A 106 GLU HBx 1.0 . 4.38 40 40 A 107 THR H A 106 GLU HGx 1.0 . 4.49 41 41 A 107 THR HA A 108 VAL H 1.0 . 3.35 42 42 A 107 THR HG2% A 108 VAL H 1.0 . 3.97 43 43 A 108 VAL H A 108 VAL HGy% 1.0 . 3.84 44 44 A 108 VAL H A 108 VAL HGx% 1.0 . 3.84 45 45 A 109 THR H A 109 THR HB 1.0 . 3.68 46 46 A 109 THR H A 108 VAL HA 1.0 . 2.99 47 47 A 109 THR H A 109 THR HG2% 1.0 . 3.96 48 48 A 109 THR H A 108 VAL HGx% 1.0 . 3.87 49 49 A 109 THR H A 108 VAL HGy% 1.0 . 3.87 50 50 A 109 THR H A 110 GLY H 1.0 . 4.08 51 51 A 110 GLY H A 154 PHE HD% 1.0 . 4.11 52 52 A 109 THR HG2% A 110 GLY H 1.0 . 4.15 53 53 A 111 VAL H A 111 VAL HB 1.0 . 3.99 54 54 A 111 VAL H A 111 VAL HGx% 1.0 . 3.80 55 55 A 112 ILE HG2% A 113 ASN H 1.0 . 3.92 56 56 A 113 ASN H A 122 VAL HA 1.0 . 3.74 57 57 A 113 ASN H A 114 GLY H 1.0 . 3.25 58 58 A 114 GLY H A 112 ILE HA 1.0 . 3.94 59 59 A 112 ILE HG2% A 114 GLY H 1.0 . 3.03 60 60 A 115 LYS H A 115 LYS HBy 1.0 . 3.77 61 61 A 115 LYS H A 115 LYS HGy 1.0 . 4.10 62 62 A 115 LYS H A 115 LYS HBx 1.0 . 3.77 63 63 A 115 LYS H A 114 GLY HAx 1.0 . 3.44 64 64 A 115 LYS HA A 116 VAL H 1.0 . 2.98 65 65 A 116 VAL H A 120 PHE HA 1.0 . 3.49 66 66 A 116 VAL H A 116 VAL HGy% 1.0 . 3.26 67 67 A 116 VAL H A 116 VAL HGx% 1.0 . 3.60 68 68 A 116 VAL HGy% A 117 LYS H 1.0 . 3.87 69 69 A 117 LYS H A 116 VAL HA 1.0 . 3.36 70 70 A 117 LYS H A 117 LYS HBy 1.0 . 3.93 71 71 A 117 LYS H A 116 VAL HB 1.0 . 3.56 72 72 A 117 LYS HA A 118 GLY H 1.0 . 3.31 73 73 A 119 GLY H A 130 PHE HE% 1.0 . 4.50 74 74 A 118 GLY H A 119 GLY H 1.0 . 3.67 75 75 A 120 PHE HA A 121 THR H 1.0 . 3.46 76 76 A 121 THR H A 120 PHE HBy 1.0 . 4.58 77 77 A 121 THR H A 121 THR HG2% 1.0 . 4.17 78 78 A 116 VAL HGx% A 121 THR H 1.0 . 4.83 79 79 A 122 VAL H A 122 VAL HGx% 1.0 . 3.97 80 80 A 122 VAL H A 122 VAL HGy% 1.0 . 3.97 81 81 A 122 VAL H A 121 THR HA 1.0 . 3.19 82 82 A 122 VAL H A 129 ALA H 1.0 . 4.18 83 83 A 111 VAL H A 123 GLU H 1.0 . 3.85 84 84 A 122 VAL HA A 123 GLU H 1.0 . 3.56 85 85 A 123 GLU H A 122 VAL HGy% 1.0 . 4.48 86 86 A 124 LEU H A 124 LEU HDx% 1.0 . 4.81 87 87 A 124 LEU H A 124 LEU HDy% 1.0 . 4.81 88 88 A 124 LEU H A 124 LEU HBx 1.0 . 4.02 89 89 A 124 LEU H A 124 LEU HBy 1.0 . 4.02 90 90 A 124 LEU H A 123 GLU HA 1.0 . 3.38 91 91 A 124 LEU HA A 125 ASN H 1.0 . 2.74 92 92 A 125 ASN H A 125 ASN HA 1.0 . 2.71 93 93 A 125 ASN H A 125 ASN HBy 1.0 . 3.95 94 94 A 125 ASN H A 125 ASN HBx 1.0 . 3.95 95 95 A 125 ASN H A 124 LEU HBx 1.0 . 4.66 96 96 A 126 GLY H A 127 ILE H 1.0 . 3.73 97 97 A 127 ILE H A 127 ILE HB 1.0 . 3.25 98 98 A 123 GLU HA A 127 ILE H 1.0 . 4.99 99 99 A 125 ASN H A 126 GLY H 1.0 . 3.92 100 100 A 124 LEU H A 127 ILE H 1.0 . 3.64 101 101 A 125 ASN HA A 127 ILE H 1.0 . 4.51 102 102 A 127 ILE H A 127 ILE HG2% 1.0 . 3.94 103 103 A 127 ILE H A 127 ILE HG1y 1.0 . 4.10 104 104 A 127 ILE H A 127 ILE HG1x 1.0 . 4.10 105 105 A 127 ILE HA A 128 ARG H 1.0 . 3.40 106 106 A 127 ILE HB A 128 ARG H 1.0 . 4.17 107 107 A 129 ALA H A 128 ARG HA 1.0 . 3.45 108 108 A 129 ALA H A 129 ALA HB% 1.0 . 3.76 109 109 A 129 ALA H A 122 VAL HB 1.0 . 4.20 110 110 A 130 PHE H A 130 PHE HD% 1.0 . 4.57 111 111 A 129 ALA HB% A 130 PHE H 1.0 . 3.31 112 112 A 131 LEU H A 131 LEU HDx% 1.0 . 4.25 113 113 A 131 LEU H A 131 LEU HDy% 1.0 . 4.25 114 114 A 131 LEU H A 130 PHE HA 1.0 . 3.25 115 115 A 121 THR HA A 131 LEU H 1.0 . 4.37 116 116 A 130 PHE HD% A 131 LEU H 1.0 . 3.82 117 117 A 136 VAL H A 136 VAL HB 1.0 . 3.36 118 118 A 136 VAL H A 136 VAL HGy% 1.0 . 3.80 119 119 A 136 VAL H A 136 VAL HGx% 1.0 . 3.80 120 120 A 136 VAL H A 137 ASP H 1.0 . 3.18 121 121 A 136 VAL HB A 137 ASP H 1.0 . 3.19 122 122 A 137 ASP H A 137 ASP HBx 1.0 . 4.14 123 123 A 137 ASP H A 136 VAL HGx% 1.0 . 4.22 124 124 A 142 ARG H A 142 ARG HGx 1.0 . 4.33 125 125 A 142 ARG H A 142 ARG HBy 1.0 . 4.20 126 126 A 142 ARG H A 142 ARG HGy 1.0 . 4.33 127 127 A 142 ARG H A 142 ARG HBx 1.0 . 4.20 128 128 A 142 ARG H A 141 VAL HB 1.0 . 4.05 129 129 A 143 ASP HA A 144 THR H 1.0 . 3.53 130 130 A 145 LEU H A 145 LEU HBy 1.0 . 3.56 131 131 A 145 LEU H A 145 LEU HBx 1.0 . 3.56 132 132 A 147 LEU H A 148 GLU H 1.0 . 3.40 133 133 A 147 LEU H A 147 LEU HDy% 1.0 . 4.64 134 134 A 147 LEU H A 147 LEU HG 1.0 . 4.29 135 135 A 147 LEU H A 145 LEU HA 1.0 . 4.22 136 136 A 149 GLY H A 150 LYS H 1.0 . 4.10 137 137 A 149 GLY H A 148 GLU HA 1.0 . 3.44 138 138 A 149 GLY H A 148 GLU HBy 1.0 . 4.12 139 139 A 150 LYS HA A 151 GLU H 1.0 . 2.59 140 140 A 151 GLU HA A 152 LEU H 1.0 . 3.22 141 141 A 151 GLU H A 150 LYS HDx 1.0 . 4.46 142 142 A 152 LEU H A 150 LYS HDx 1.0 . 4.34 143 143 A 111 VAL HB A 152 LEU H 1.0 . 5.11 144 144 A 152 LEU HA A 153 GLU H 1.0 . 3.41 145 145 A 151 GLU H A 150 LYS HGy 1.0 . 4.21 146 146 A 153 GLU H A 153 GLU HGx 1.0 . 4.46 147 147 A 154 PHE HD% A 154 PHE H 1.0 . 4.02 148 148 A 157 ILE H A 157 ILE HG2% 1.0 . 3.72 149 149 A 157 ILE H A 158 LYS H 1.0 . 3.86 150 150 A 158 LYS HA A 159 LEU H 1.0 . 3.36 151 151 A 162 LYS H A 163 ARG H 1.0 . 3.80 152 152 A 163 ARG H A 164 ASN H 1.0 . 3.99 153 153 A 164 ASN H A 165 ASN H 1.0 . 3.93 154 154 A 165 ASN H A 165 ASN HBx 1.0 . 4.00 155 155 A 165 ASN H A 165 ASN HBy 1.0 . 4.00 156 156 A 166 VAL HA A 167 VAL H 1.0 . 3.34 157 157 A 167 VAL H A 159 LEU HA 1.0 . 3.94 158 158 A 168 VAL H A 167 VAL HGx% 1.0 . 4.37 159 159 A 168 VAL H A 167 VAL HGy% 1.0 . 4.37 160 160 A 168 VAL H A 168 VAL HGy% 1.0 . 4.42 161 161 A 168 VAL H A 167 VAL HA 1.0 . 3.53 162 162 A 101 ALA H A 102 TYR H 1.0 . 3.81 163 163 A 172 ALA H A 172 ALA HB% 1.0 . 3.57 164 164 A 179 SER H A 179 SER HA 1.0 . 2.66 165 165 A 179 SER H A 179 SER HB2 1.0 . 3.62 166 166 A 179 SER H A 179 SER HB3 1.0 . 3.62 167 167 A 178 ASN H A 177 GLU HBx 1.0 . 3.58 168 168 A 177 GLU H A 177 GLU HGx 1.0 . 3.58 169 169 A 177 GLU H A 177 GLU HGy 1.0 . 3.58 170 170 A 177 GLU H A 176 SER HBy 1.0 . 4.48 171 171 A 177 GLU H A 176 SER HBx 1.0 . 4.48 172 172 A 177 GLU H A 176 SER H 1.0 . 3.12 173 173 A 176 SER H A 175 GLU H 1.0 . 3.46 174 174 A 176 SER H A 175 GLU HBx 1.0 . 4.14 175 175 A 173 VAL HB A 174 ILE H 1.0 . 4.16 176 176 A 174 ILE H A 174 ILE HB 1.0 . 3.85 177 177 A 174 ILE H A 174 ILE HG1y 1.0 . 3.90 178 178 A 174 ILE H A 174 ILE HG2% 1.0 . 3.84 179 179 A 174 ILE H A 174 ILE HG1x 1.0 . 3.90 180 180 A 172 ALA HB% A 174 ILE H 1.0 . 4.68 181 181 A 173 VAL HB A 173 VAL H 1.0 . 3.65 182 182 A 172 ALA HB% A 173 VAL H 1.0 . 4.11 183 183 A 115 LYS H A 114 GLY HAy 1.0 . 3.44 184 184 A 114 GLY H A 121 THR HB 1.0 . 4.00 185 185 A 117 LYS HA A 119 GLY H 1.0 . 4.32 186 186 A 115 LYS HA A 121 THR H 1.0 . 4.42 187 187 A 129 ALA HB% A 168 VAL H 1.0 . 4.14 188 188 A 168 VAL H A 168 VAL HGx% 1.0 . 4.42 189 189 A 168 VAL H A 167 VAL HB 1.0 . 4.30 190 190 A 178 ASN H A 177 GLU HBy 1.0 . 3.58 191 191 A 176 SER H A 175 GLU HBy 1.0 . 4.14 192 192 A 176 SER H A 173 VAL HA 1.0 . 4.01 193 193 A 175 GLU H A 175 GLU HGy 1.0 . 3.87 194 194 A 175 GLU H A 175 GLU HBy 1.0 . 3.66 195 195 A 175 GLU H A 174 ILE HB 1.0 . 4.15 196 196 A 175 GLU H A 174 ILE HG2% 1.0 . 4.05 197 197 A 175 GLU H A 175 GLU HBx 1.0 . 3.66 198 198 A 175 GLU H A 174 ILE H 1.0 . 3.76 199 199 A 175 GLU H A 174 ILE HG1x 1.0 . 4.31 200 200 A 172 ALA HB% A 175 GLU H 1.0 . 4.85 201 201 A 175 GLU H A 174 ILE HG1y 1.0 . 4.31 202 202 A 175 GLU H A 175 GLU HGx 1.0 . 3.87 203 203 A 151 GLU H A 151 GLU HGy 1.0 . 4.01 204 204 A 151 GLU H A 151 GLU HGx 1.0 . 4.01 205 205 A 149 GLY H A 148 GLU HBx 1.0 . 4.12 206 206 A 123 GLU H A 123 GLU HGy 1.0 . 5.38 207 207 A 123 GLU H A 123 GLU HGx 1.0 . 5.38 208 208 A 151 GLU H A 150 LYS HGx 1.0 . 4.21 209 209 A 99 GLU H A 96 ILE HA 1.0 . 4.04 210 210 A 178 ASN H A 177 GLU H 1.0 . 3.14 211 211 A 179 SER H A 178 ASN H 1.0 . 3.46 212 212 A 102 TYR H A 102 TYR HBy 1.0 . 4.20 213 213 A 157 ILE H A 157 ILE HD1% 1.0 . 4.38 214 214 A 108 VAL H A 154 PHE H 1.0 . 4.18 215 215 A 137 ASP H A 136 VAL HGy% 1.0 . 4.22 216 216 A 127 ILE HG2% A 128 ARG H 1.0 . 3.90 217 217 A 127 ILE H A 123 GLU HGy 1.0 . 5.50 218 218 A 127 ILE H A 123 GLU HGx 1.0 . 5.50 219 219 A 125 ASN H A 124 LEU HBy 1.0 . 4.66 220 220 A 122 VAL H A 129 ALA HB% 1.0 . 4.51 221 221 A 121 THR H A 120 PHE HD% 1.0 . 4.23 222 222 A 120 PHE HD% A 120 PHE H 1.0 . 3.98 223 223 A 130 PHE HE% A 120 PHE H 1.0 . 4.13 224 224 A 116 VAL HGy% A 119 GLY H 1.0 . 3.65 225 225 A 119 GLY H A 133 GLY H 1.0 . 5.50 226 226 A 116 VAL H A 115 LYS HBy 1.0 . 4.69 227 227 A 115 LYS H A 116 VAL HGx% 1.0 . 4.32 228 228 A 115 LYS H A 115 LYS HGx 1.0 . 4.10 229 229 A 114 GLY H A 113 ASN HBy 1.0 . 4.05 230 230 A 114 GLY H A 113 ASN HBx 1.0 . 4.05 231 231 A 114 GLY H A 112 ILE HB 1.0 . 5.50 232 232 A 114 GLY H A 120 PHE HD% 1.0 . 5.19 233 233 A 114 GLY H A 121 THR H 1.0 . 4.09 234 234 A 129 ALA H A 127 ILE HG2% 1.0 . 5.42 235 235 A 112 ILE H A 122 VAL HGy% 1.0 . 4.48 236 236 A 110 GLY H A 154 PHE HE% 1.0 . 4.15 237 237 A 101 ALA H A 98 LEU HA 1.0 . 3.97 238 238 A 101 ALA H A 100 LYS HBy 1.0 . 4.08 239 239 A 96 ILE H A 97 THR H 1.0 . 3.45 240 240 A 96 ILE H A 94 ALA HA 1.0 . 4.34 241 241 A 99 GLU H A 95 TRP HA 1.0 . 5.08 242 242 A 104 ASP H A 106 GLU H 1.0 . 4.12 243 243 A 107 THR H A 106 GLU HBy 1.0 . 4.38 244 244 A 112 ILE H A 112 ILE HG1y 1.0 . 4.28 245 245 A 111 VAL HB A 112 ILE H 1.0 . 4.39 246 246 A 114 GLY H A 121 THR HG2% 1.0 . 4.25 247 247 A 114 GLY H A 115 LYS H 1.0 . 4.49 248 248 A 116 VAL HGx% A 117 LYS H 1.0 . 4.19 249 249 A 122 VAL H A 122 VAL HB 1.0 . 3.65 250 250 A 125 ASN H A 124 LEU HG 1.0 . 5.25 251 251 A 112 ILE H A 122 VAL HGx% 1.0 . 4.48 252 252 A 136 VAL H A 135 LEU H 1.0 . 3.96 253 253 A 145 LEU HA A 146 HIS H 1.0 . 3.42 254 254 A 121 THR H A 120 PHE HBx 1.0 . 4.58 255 255 A 124 LEU H A 124 LEU HG 1.0 . 4.47 256 256 A 117 LYS H A 117 LYS HBx 1.0 . 3.93 257 257 A 96 ILE H A 96 ILE HD1% 1.0 . 4.48 258 258 A 97 THR HB A 98 LEU H 1.0 . 4.55 259 259 A 103 GLU H A 102 TYR HD% 1.0 . 4.27 260 260 A 107 THR H A 106 GLU HGy 1.0 . 4.49 261 261 A 107 THR HB A 108 VAL H 1.0 . 4.70 262 262 A 109 THR HB A 110 GLY H 1.0 . 4.85 263 263 A 110 GLY H A 154 PHE H 1.0 . 4.52 264 264 A 111 VAL H A 111 VAL HGy% 1.0 . 3.80 265 265 A 111 VAL H A 112 ILE HA 1.0 . 5.50 266 266 A 111 VAL H A 151 GLU HA 1.0 . 5.50 267 267 A 112 ILE H A 112 ILE HG1x 1.0 . 3.99 268 268 A 151 GLU HA A 112 ILE H 1.0 . 4.65 269 269 A 152 LEU H A 112 ILE H 1.0 . 4.67 270 270 A 112 ILE HG2% A 115 LYS H 1.0 . 4.54 271 271 A 115 LYS H A 120 PHE HD% 1.0 . 4.85 272 272 A 116 VAL H A 121 THR H 1.0 . 4.35 273 273 A 115 LYS H A 116 VAL H 1.0 . 4.43 274 274 A 116 VAL H A 115 LYS HBx 1.0 . 4.69 275 275 A 117 LYS H A 118 GLY H 1.0 . 4.37 276 276 A 118 GLY H A 117 LYS HBx 1.0 . 5.47 277 277 A 118 GLY H A 117 LYS HBy 1.0 . 5.47 278 278 A 116 VAL HGx% A 119 GLY H 1.0 . 4.98 279 279 A 119 GLY H A 130 PHE HZ 1.0 . 4.46 280 280 A 116 VAL H A 119 GLY H 1.0 . 4.37 281 281 A 117 LYS H A 119 GLY H 1.0 . 4.36 282 282 A 116 VAL HGx% A 120 PHE H 1.0 . 5.31 283 283 A 116 VAL HGy% A 120 PHE H 1.0 . 4.63 284 284 A 116 VAL HGy% A 121 THR H 1.0 . 4.47 285 285 A 122 VAL H A 121 THR HB 1.0 . 4.56 286 286 A 122 VAL H A 129 ALA HA 1.0 . 4.58 287 287 A 123 GLU H A 122 VAL HGx% 1.0 . 4.48 288 288 A 123 GLU H A 129 ALA HB% 1.0 . 5.00 289 289 A 123 GLU H A 111 VAL HA 1.0 . 5.50 290 290 A 124 LEU HA A 126 GLY H 1.0 . 4.62 291 291 A 127 ILE H A 127 ILE HD1% 1.0 . 4.47 292 292 A 129 ALA H A 124 LEU HG 1.0 . 4.40 293 293 A 130 PHE H A 168 VAL HGx% 1.0 . 4.75 294 294 A 130 PHE H A 168 VAL HGy% 1.0 . 4.75 295 295 A 130 PHE H A 168 VAL HB 1.0 . 5.50 296 296 A 130 PHE H A 167 VAL HA 1.0 . 4.52 297 297 A 130 PHE H A 168 VAL H 1.0 . 4.28 298 298 A 129 ALA HB% A 131 LEU H 1.0 . 4.76 299 299 A 130 PHE H A 131 LEU H 1.0 . 4.42 300 300 A 137 ASP H A 137 ASP HBy 1.0 . 4.14 301 301 A 147 LEU H A 147 LEU HDx% 1.0 . 4.64 302 302 A 148 GLU H A 148 GLU HGx 1.0 . 4.70 303 303 A 148 GLU H A 148 GLU HGy 1.0 . 4.70 304 304 A 150 LYS H A 150 LYS HDy 1.0 . 4.68 305 305 A 150 LYS H A 112 ILE HB 1.0 . 4.09 306 306 A 150 LYS H A 150 LYS HGy 1.0 . 4.91 307 307 A 150 LYS H A 150 LYS HGx 1.0 . 4.91 308 308 A 112 ILE HG2% A 150 LYS H 1.0 . 4.36 309 309 A 150 LYS H A 112 ILE HD1% 1.0 . 4.34 310 310 A 151 GLU H A 112 ILE HD1% 1.0 . 5.10 311 311 A 150 LYS H A 151 GLU H 1.0 . 4.76 312 312 A 151 GLU H A 152 LEU H 1.0 . 4.33 313 313 A 152 LEU H A 112 ILE HD1% 1.0 . 4.57 314 314 A 152 LEU H A 154 PHE HE% 1.0 . 4.57 315 315 A 152 LEU H A 153 GLU H 1.0 . 4.59 316 316 A 109 THR H A 154 PHE H 1.0 . 4.99 317 317 A 155 LYS H A 169 SER H 1.0 . 4.62 318 318 A 157 ILE H A 168 VAL HA 1.0 . 4.72 319 319 A 157 ILE HG2% A 158 LYS H 1.0 . 4.45 320 320 A 158 LYS H A 168 VAL HA 1.0 . 5.00 321 321 A 158 LYS H A 159 LEU H 1.0 . 4.68 322 322 A 165 ASN H A 161 GLN H 1.0 . 5.50 323 323 A 162 LYS H A 160 ASP HA 1.0 . 3.90 324 324 A 164 ASN H A 164 ASN HD21 1.0 . 4.63 325 325 A 165 ASN H A 164 ASN HD21 1.0 . 5.01 326 326 A 165 ASN H A 166 VAL H 1.0 . 5.50 327 327 A 168 VAL H A 131 LEU HA 1.0 . 4.44 328 328 A 157 ILE HG2% A 169 SER H 1.0 . 4.64 329 329 A 175 GLU H A 173 VAL H 1.0 . 4.63 330 330 A 175 GLU H A 173 VAL HA 1.0 . 4.63 331 331 A 177 GLU H A 173 VAL HGx% 1.0 . 5.16 332 332 A 177 GLU H A 173 VAL HGy% 1.0 . 5.16 333 333 A 179 SER H A 178 ASN HBx 1.0 . 4.78 334 334 A 179 SER H A 178 ASN HBy 1.0 . 4.78 335 335 A 166 VAL H A 165 ASN HA 1.0 . 3.39 336 336 A 152 LEU H A 150 LYS HDy 1.0 . 4.54 337 337 A 176 SER H A 154 PHE HA 1.0 . 4.55 338 338 A 112 ILE HG2% A 120 PHE H 1.0 . 5.50 339 339 A 175 GLU H A 174 ILE HD1% 1.0 . 4.88 340 340 A 108 VAL H A 155 LYS H 1.0 . 5.50 341 341 A 113 ASN H A 121 THR HG2% 1.0 . 5.50 342 342 A 113 ASN H A 122 VAL HB 1.0 . 5.50 343 343 A 112 ILE HA A 123 GLU H 1.0 . 4.57 344 344 A 120 PHE HZ A 147 LEU HDy% 1.0 . 3.62 345 345 A 120 PHE HZ A 147 LEU HDx% 1.0 . 3.62 346 346 A 154 PHE HE% A 131 LEU HDx% 1.0 . 3.87 347 347 A 154 PHE HE% A 131 LEU HDy% 1.0 . 3.87 348 348 A 168 VAL HA A 168 VAL HGy% 1.0 . 3.99 349 349 A 130 PHE HD% A 167 VAL HA 1.0 . 5.24 350 350 A 121 THR HG2% A 130 PHE HA 1.0 . 4.32 351 351 A 130 PHE HA A 167 VAL HB 1.0 . 5.50 352 352 A 102 TYR HD% A 102 TYR HA 1.0 . 3.77 353 353 A 127 ILE HB A 127 ILE HD1% 1.0 . 3.77 354 354 A 112 ILE HA A 122 VAL HGy% 1.0 . 4.44 355 355 A 154 PHE HE% A 122 VAL HGy% 1.0 . 4.05 356 356 A 112 ILE HA A 122 VAL HGx% 1.0 . 4.44 357 357 A 127 ILE HD1% A 98 LEU HDx% 1.0 . 3.82 358 358 A 120 PHE HE% A 136 VAL HGx% 1.0 . 3.57 359 359 A 121 THR HG2% A 130 PHE HD% 1.0 . 4.10 360 360 A 120 PHE HA A 116 VAL HGx% 1.0 . 4.30 361 361 A 112 ILE HG2% A 113 ASN HA 1.0 . 4.25 362 362 A 109 THR HG2% A 109 THR HA 1.0 . 3.55 363 363 A 112 ILE HG2% A 120 PHE HA 1.0 . 4.47 364 364 A 129 ALA HB% A 167 VAL HA 1.0 . 4.81 365 365 A 157 ILE HG2% A 168 VAL HA 1.0 . 4.56 366 366 A 120 PHE HE% A 115 LYS HGx 1.0 . 4.67 367 367 A 102 TYR HD% A 156 VAL HB 1.0 . 4.33 368 368 A 91 ARG HA A 91 ARG HDx 1.0 . 4.51 369 369 A 91 ARG HA A 91 ARG HDy 1.0 . 4.51 370 370 A 130 PHE HE% A 132 PRO HA 1.0 . 4.03 371 371 A 98 LEU HG A 127 ILE HD1% 1.0 . 4.73 372 372 A 154 PHE HD% A 168 VAL HGy% 1.0 . 3.78 373 373 A 154 PHE HD% A 154 PHE HA 1.0 . 3.94 374 374 A 115 LYS HA A 120 PHE HA 1.0 . 3.96 375 375 A 130 PHE HD% A 130 PHE HA 1.0 . 3.21 376 376 A 120 PHE HA A 120 PHE HE% 1.0 . 4.33 377 377 A 92 HIS HA A 95 TRP HZ2 1.0 . 4.41 378 378 A 154 PHE HE% A 168 VAL HGy% 1.0 . 4.97 379 379 A 127 ILE HD1% A 95 TRP HD1 1.0 . 4.51 380 380 A 127 ILE HD1% A 95 TRP HE3 1.0 . 4.44 381 381 A 120 PHE HA A 120 PHE HD% 1.0 . 3.69 382 382 A 127 ILE HG2% A 95 TRP HZ2 1.0 . 4.53 383 383 A 95 TRP HE3 A 95 TRP HBx 1.0 . 4.10 384 384 A 95 TRP HE3 A 95 TRP HBy 1.0 . 4.10 385 385 A 154 PHE HD% A 109 THR HA 1.0 . 4.44 386 386 A 154 PHE HD% A 168 VAL HA 1.0 . 5.50 387 387 A 154 PHE HZ A 122 VAL HGy% 1.0 . 4.09 388 388 A 92 HIS HA A 95 TRP HH2 1.0 . 4.54 389 389 A 120 PHE HZ A 147 LEU HA 1.0 . 4.86 390 390 A 136 VAL HB A 120 PHE HE% 1.0 . 4.77 391 391 A 120 PHE HE% A 115 LYS HBx 1.0 . 4.46 392 392 A 120 PHE HE% A 115 LYS HBy 1.0 . 4.46 393 393 A 120 PHE HE% A 115 LYS HGy 1.0 . 4.67 394 394 A 112 ILE HG2% A 120 PHE HE% 1.0 . 3.33 395 395 A 120 PHE HE% A 147 LEU HDx% 1.0 . 4.90 396 396 A 94 ALA HB% A 95 TRP HD1 1.0 . 3.72 397 397 A 153 GLU H A 153 GLU HGy 1.0 . 4.46 398 398 A 127 ILE HD1% A 95 TRP HZ2 1.0 . 4.83 399 399 A 154 PHE HE% A 112 ILE HD1% 1.0 . 3.93 400 400 A 120 PHE HD% A 136 VAL HGy% 1.0 . 4.39 401 401 A 154 PHE HD% A 168 VAL HB 1.0 . 4.02 402 402 A 112 ILE HG1x A 154 PHE HZ 1.0 . 3.69 403 403 A 116 VAL HGx% A 130 PHE HZ 1.0 . 3.74 404 404 A 116 VAL HGy% A 130 PHE HZ 1.0 . 3.78 405 405 A 154 PHE HD% A 168 VAL HGx% 1.0 . 3.78 406 406 A 112 ILE HD1% A 154 PHE HZ 1.0 . 3.89 407 407 A 150 LYS HDy A 154 PHE HZ 1.0 . 5.07 408 408 A 102 TYR HE% A 156 VAL HGx% 1.0 . 4.96 409 409 A 102 TYR HE% A 156 VAL HGy% 1.0 . 4.96 410 410 A 116 VAL HGx% A 130 PHE HE% 1.0 . 3.59 411 411 A 130 PHE HE% A 121 THR HG2% 1.0 . 4.50 412 412 A 130 PHE HD% A 167 VAL HB 1.0 . 4.96 413 413 A 102 TYR HA A 102 TYR HE% 1.0 . 4.67 414 414 A 130 PHE HD% A 132 PRO HA 1.0 . 4.24 415 415 A 147 LEU HG A 146 HIS HE1 1.0 . 3.70 416 416 A 146 HIS HE1 A 147 LEU HDx% 1.0 . 4.43 417 417 A 146 HIS HE1 A 147 LEU HDy% 1.0 . 4.43 418 418 A 144 THR H A 144 THR HG2% 1.0 . 4.10 419 419 A 116 VAL HGy% A 130 PHE HE% 1.0 . 3.17 420 420 A 146 HIS HE1 A 144 THR HG2% 1.0 . 4.48 421 421 A 120 PHE HD% A 136 VAL HGx% 1.0 . 4.39 422 422 A 112 ILE HG2% A 120 PHE HD% 1.0 . 3.16 423 423 A 150 LYS HDx A 154 PHE HE% 1.0 . 5.50 424 424 A 154 PHE HE% A 150 LYS HDy 1.0 . 5.23 425 425 A 127 ILE HG2% A 127 ILE HD1% 1.0 . 3.18 426 426 A 112 ILE HB A 112 ILE HD1% 1.0 . 3.69 427 427 A 127 ILE HG2% A 127 ILE HA 1.0 . 3.22 428 428 A 168 VAL HA A 168 VAL HGx% 1.0 . 3.99 429 429 A 127 ILE HG2% A 129 ALA HA 1.0 . 5.50 430 430 A 154 PHE HZ A 122 VAL HGx% 1.0 . 4.09 431 431 A 154 PHE HE% A 122 VAL HGx% 1.0 . 4.05 432 432 A 154 PHE HE% A 168 VAL HGx% 1.0 . 4.97 433 433 A 120 PHE HE% A 147 LEU HDy% 1.0 . 4.90 434 434 A 154 PHE HZ A 131 LEU HDx% 1.0 . 3.96 435 435 A 154 PHE HZ A 131 LEU HDy% 1.0 . 3.96 436 436 A 154 PHE HE% A 112 ILE HG1x 1.0 . 4.94 437 437 A 129 ALA HB% A 154 PHE HE% 1.0 . 5.33 438 438 A 120 PHE HE% A 136 VAL HGy% 1.0 . 3.57 439 439 A 112 ILE HA A 154 PHE HZ 1.0 . 5.06 440 440 A 91 ARG HA A 95 TRP HD1 1.0 . 4.67 441 441 A 127 ILE HA A 127 ILE HD1% 1.0 . 4.05 442 442 A 121 THR HA A 130 PHE HA 1.0 . 3.96 443 443 A 121 THR HG2% A 121 THR HA 1.0 . 3.69 444 444 A 120 PHE HA A 116 VAL HGy% 1.0 . 3.97 445 445 A 127 ILE HD1% A 98 LEU HDy% 1.0 . 3.82 446 446 A 95 TRP HA A 127 ILE HD1% 1.0 . 5.02 447 447 A 91 ARG H A 91 ARG HBx 1.0 . 3.60 448 447 A 91 ARG H A 91 ARG HBy 1.0 . 3.60 449 448 A 91 ARG H A 91 ARG HGy 1.0 . 4.20 450 448 A 91 ARG H A 91 ARG HGx 1.0 . 4.20 451 449 A 91 ARG HA A 91 ARG HDy 1.0 . 3.84 452 449 A 91 ARG HA A 91 ARG HDx 1.0 . 3.84 453 450 A 95 TRP HD1 A 91 ARG HBx 1.0 . 4.13 454 450 A 95 TRP HD1 A 91 ARG HBy 1.0 . 4.13 455 451 A 95 TRP HD1 A 91 ARG HGy 1.0 . 4.19 456 451 A 95 TRP HD1 A 91 ARG HGx 1.0 . 4.19 457 452 A 93 GLU H A 93 GLU HB2 1.0 . 3.68 458 452 A 93 GLU H A 93 GLU HBy 1.0 . 3.68 459 453 A 93 GLU H A 93 GLU HGy 1.0 . 4.29 460 453 A 93 GLU H A 93 GLU HGx 1.0 . 4.29 461 454 A 94 ALA H A 93 GLU HB2 1.0 . 3.82 462 454 A 94 ALA H A 93 GLU HBy 1.0 . 3.82 463 455 A 95 TRP H A 95 TRP HBx 1.0 . 3.55 464 455 A 95 TRP H A 95 TRP HBy 1.0 . 3.55 465 456 A 96 ILE H A 95 TRP HBx 1.0 . 3.68 466 456 A 96 ILE H A 95 TRP HBy 1.0 . 3.68 467 457 A 95 TRP HE3 A 98 LEU HDx% 1.0 . 4.52 468 457 A 95 TRP HE3 A 98 LEU HDy% 1.0 . 4.52 469 458 A 95 TRP HZ2 A 127 ILE HG1x 1.0 . 4.48 470 458 A 95 TRP HZ2 A 127 ILE HG1y 1.0 . 4.48 471 459 A 97 THR H A 96 ILE HG1y 1.0 . 4.42 472 459 A 97 THR H A 96 ILE HG1x 1.0 . 4.42 473 460 A 98 LEU H A 98 LEU HBy 1.0 . 3.51 474 460 A 98 LEU H A 98 LEU HBx 1.0 . 3.51 475 461 A 98 LEU H A 98 LEU HDx% 1.0 . 4.02 476 461 A 98 LEU H A 98 LEU HDy% 1.0 . 4.02 477 462 A 99 GLU H A 98 LEU HBy 1.0 . 3.86 478 462 A 99 GLU H A 98 LEU HBx 1.0 . 3.86 479 463 A 127 ILE HD1% A 98 LEU HDx% 1.0 . 3.19 480 463 A 127 ILE HD1% A 98 LEU HDy% 1.0 . 3.19 481 464 A 99 GLU H A 99 GLU HBx 1.0 . 3.02 482 464 A 99 GLU H A 99 GLU HBy 1.0 . 3.02 483 465 A 99 GLU H A 99 GLU HGx 1.0 . 3.61 484 465 A 99 GLU H A 99 GLU HGy 1.0 . 3.61 485 466 A 100 LYS H A 99 GLU HBx 1.0 . 3.99 486 466 A 100 LYS H A 99 GLU HBy 1.0 . 3.99 487 467 A 100 LYS H A 99 GLU HGx 1.0 . 4.23 488 467 A 100 LYS H A 99 GLU HGy 1.0 . 4.23 489 468 A 100 LYS H A 100 LYS HBy 1.0 . 3.21 490 468 A 100 LYS H A 100 LYS HBx 1.0 . 3.21 491 469 A 100 LYS H A 100 LYS HGx 1.0 . 3.71 492 469 A 100 LYS H A 100 LYS HGy 1.0 . 3.71 493 470 A 100 LYS H A 100 LYS HDx 1.0 . 3.73 494 470 A 100 LYS H A 100 LYS HDy 1.0 . 3.73 495 471 A 101 ALA H A 100 LYS HDx 1.0 . 5.34 496 471 A 101 ALA H A 100 LYS HDy 1.0 . 5.34 497 472 A 102 TYR H A 102 TYR HBx 1.0 . 3.37 498 472 A 102 TYR H A 102 TYR HBy 1.0 . 3.37 499 473 A 102 TYR H A 159 LEU HD1% 1.0 . 3.86 500 473 A 102 TYR H A 159 LEU HD21 1.0 . 3.86 501 474 A 103 GLU H A 102 TYR HBx 1.0 . 4.29 502 474 A 103 GLU H A 102 TYR HBy 1.0 . 4.29 503 475 A 102 TYR HD% A 156 VAL HGx% 1.0 . 3.10 504 475 A 102 TYR HD% A 156 VAL HGy% 1.0 . 3.10 505 476 A 102 TYR HE% A 156 VAL HGx% 1.0 . 4.10 506 476 A 102 TYR HE% A 156 VAL HGy% 1.0 . 4.10 507 477 A 103 GLU H A 103 GLU HBy 1.0 . 3.15 508 477 A 103 GLU H A 103 GLU HBx 1.0 . 3.15 509 478 A 103 GLU H A 103 GLU HGx 1.0 . 3.64 510 478 A 103 GLU H A 103 GLU HGy 1.0 . 3.64 511 479 A 104 ASP H A 103 GLU HBy 1.0 . 2.98 512 479 A 104 ASP H A 103 GLU HBx 1.0 . 2.98 513 480 A 104 ASP H A 104 ASP HBy 1.0 . 3.21 514 480 A 104 ASP H A 104 ASP HBx 1.0 . 3.21 515 481 A 106 GLU H A 106 GLU HBx 1.0 . 3.56 516 481 A 106 GLU H A 106 GLU HBy 1.0 . 3.56 517 482 A 106 GLU H A 106 GLU HGx 1.0 . 3.98 518 482 A 106 GLU H A 106 GLU HGy 1.0 . 3.98 519 483 A 107 THR H A 106 GLU HBx 1.0 . 3.58 520 483 A 107 THR H A 106 GLU HBy 1.0 . 3.58 521 484 A 107 THR H A 106 GLU HGx 1.0 . 3.90 522 484 A 107 THR H A 106 GLU HGy 1.0 . 3.90 523 485 A 109 THR H A 108 VAL HGx% 1.0 . 3.19 524 485 A 109 THR H A 108 VAL HGy% 1.0 . 3.19 525 486 A 154 PHE H A 108 VAL HGx% 1.0 . 3.79 526 486 A 154 PHE H A 108 VAL HGy% 1.0 . 3.79 527 487 A 109 THR H A 110 GLY HAy 1.0 . 4.55 528 487 A 109 THR H A 110 GLY HAx 1.0 . 4.55 529 488 A 111 VAL H A 122 VAL HGx% 1.0 . 3.69 530 488 A 111 VAL H A 122 VAL HGy% 1.0 . 3.69 531 489 A 111 VAL H A 124 LEU HDx% 1.0 . 5.44 532 489 A 111 VAL H A 124 LEU HDy% 1.0 . 5.44 533 490 A 112 ILE H A 111 VAL HGx% 1.0 . 4.18 534 490 A 112 ILE H A 111 VAL HGy% 1.0 . 4.18 535 491 A 111 VAL HGx% A 122 VAL HGx% 1.0 . 4.46 536 491 A 111 VAL HGy% A 122 VAL HGx% 1.0 . 4.46 537 491 A 122 VAL HGy% A 111 VAL HGx% 1.0 . 4.46 538 491 A 122 VAL HGy% A 111 VAL HGy% 1.0 . 4.46 539 492 A 123 GLU H A 111 VAL HGx% 1.0 . 4.51 540 492 A 123 GLU H A 111 VAL HGy% 1.0 . 4.51 541 493 A 149 GLY H A 111 VAL HGx% 1.0 . 3.86 542 493 A 149 GLY H A 111 VAL HGy% 1.0 . 3.86 543 494 A 150 LYS H A 111 VAL HGx% 1.0 . 3.87 544 494 A 150 LYS H A 111 VAL HGy% 1.0 . 3.87 545 495 A 151 GLU H A 111 VAL HGx% 1.0 . 5.09 546 495 A 151 GLU H A 111 VAL HGy% 1.0 . 5.09 547 496 A 152 LEU H A 111 VAL HGx% 1.0 . 4.00 548 496 A 152 LEU H A 111 VAL HGy% 1.0 . 4.00 549 497 A 112 ILE H A 122 VAL HGx% 1.0 . 3.91 550 497 A 112 ILE H A 122 VAL HGy% 1.0 . 3.91 551 498 A 112 ILE H A 149 GLY HAy 1.0 . 4.42 552 498 A 112 ILE H A 149 GLY HAx 1.0 . 4.42 553 499 A 112 ILE HA A 122 VAL HGx% 1.0 . 3.79 554 499 A 112 ILE HA A 122 VAL HGy% 1.0 . 3.79 555 500 A 112 ILE HG1x A 122 VAL HGx% 1.0 . 3.92 556 500 A 112 ILE HG1x A 122 VAL HGy% 1.0 . 3.92 557 501 A 113 ASN H A 114 GLY HAx 1.0 . 4.93 558 501 A 113 ASN H A 114 GLY HAy 1.0 . 4.93 559 502 A 113 ASN H A 122 VAL HGx% 1.0 . 4.36 560 502 A 113 ASN H A 122 VAL HGy% 1.0 . 4.36 561 503 A 113 ASN HBy A 113 ASN HD22 1.0 . 3.14 562 503 A 113 ASN HD21 A 113 ASN HBx 1.0 . 3.14 563 503 A 113 ASN HBy A 113 ASN HD21 1.0 . 3.14 564 503 A 113 ASN HBx A 113 ASN HD22 1.0 . 3.14 565 504 A 113 ASN HD21 A 123 GLU HBx 1.0 . 3.52 566 504 A 113 ASN HD22 A 123 GLU HBx 1.0 . 3.52 567 504 A 123 GLU HBy A 113 ASN HD22 1.0 . 3.52 568 504 A 113 ASN HD21 A 123 GLU HBy 1.0 . 3.52 569 505 A 113 ASN HD21 A 123 GLU HGy 1.0 . 4.76 570 505 A 113 ASN HD22 A 123 GLU HGy 1.0 . 4.76 571 505 A 123 GLU HGx A 113 ASN HD22 1.0 . 4.76 572 505 A 113 ASN HD21 A 123 GLU HGx 1.0 . 4.76 573 506 A 114 GLY H A 122 VAL HGx% 1.0 . 4.43 574 506 A 114 GLY H A 122 VAL HGy% 1.0 . 4.43 575 507 A 115 LYS H A 114 GLY HAx 1.0 . 2.84 576 507 A 115 LYS H A 114 GLY HAy 1.0 . 2.84 577 508 A 121 THR H A 114 GLY HAx 1.0 . 4.42 578 508 A 121 THR H A 114 GLY HAy 1.0 . 4.42 579 509 A 115 LYS H A 115 LYS HGy 1.0 . 3.59 580 509 A 115 LYS H A 115 LYS HGx 1.0 . 3.59 581 510 A 116 VAL H A 115 LYS HBy 1.0 . 4.05 582 510 A 116 VAL H A 115 LYS HBx 1.0 . 4.05 583 511 A 120 PHE HA A 115 LYS HBy 1.0 . 4.48 584 511 A 120 PHE HA A 115 LYS HBx 1.0 . 4.48 585 512 A 120 PHE HD% A 115 LYS HBy 1.0 . 4.03 586 512 A 120 PHE HD% A 115 LYS HBx 1.0 . 4.03 587 513 A 120 PHE HE% A 115 LYS HBy 1.0 . 3.82 588 513 A 120 PHE HE% A 115 LYS HBx 1.0 . 3.82 589 514 A 116 VAL H A 115 LYS HGy 1.0 . 4.18 590 514 A 116 VAL H A 115 LYS HGx 1.0 . 4.18 591 515 A 120 PHE HD% A 115 LYS HGy 1.0 . 5.13 592 515 A 120 PHE HD% A 115 LYS HGx 1.0 . 5.13 593 516 A 120 PHE HE% A 115 LYS HGy 1.0 . 3.92 594 516 A 120 PHE HE% A 115 LYS HGx 1.0 . 3.92 595 517 A 117 LYS H A 117 LYS HBy 1.0 . 3.23 596 517 A 117 LYS H A 117 LYS HBx 1.0 . 3.23 597 518 A 119 GLY H A 118 GLY HAy 1.0 . 3.12 598 518 A 119 GLY H A 118 GLY HAx 1.0 . 3.12 599 519 A 119 GLY H A 133 GLY HAy 1.0 . 5.23 600 519 A 119 GLY H A 133 GLY HAx 1.0 . 5.23 601 520 A 130 PHE HE% A 119 GLY HAx 1.0 . 4.36 602 520 A 130 PHE HE% A 119 GLY HAy 1.0 . 4.36 603 521 A 120 PHE H A 120 PHE HBx 1.0 . 3.58 604 521 A 120 PHE H A 120 PHE HBy 1.0 . 3.58 605 522 A 120 PHE HA A 131 LEU HDx% 1.0 . 5.44 606 522 A 120 PHE HA A 131 LEU HDy% 1.0 . 5.44 607 523 A 121 THR H A 120 PHE HBx 1.0 . 3.84 608 523 A 121 THR H A 120 PHE HBy 1.0 . 3.84 609 524 A 131 LEU H A 120 PHE HBx 1.0 . 4.50 610 524 A 131 LEU H A 120 PHE HBy 1.0 . 4.50 611 525 A 120 PHE HD% A 122 VAL HGx% 1.0 . 5.01 612 525 A 120 PHE HD% A 122 VAL HGy% 1.0 . 5.01 613 526 A 120 PHE HD% A 131 LEU HDx% 1.0 . 4.18 614 526 A 120 PHE HD% A 131 LEU HDy% 1.0 . 4.18 615 527 A 120 PHE HD% A 136 VAL HGx% 1.0 . 3.29 616 527 A 120 PHE HD% A 136 VAL HGy% 1.0 . 3.29 617 528 A 120 PHE HE% A 147 LEU HBx 1.0 . 5.03 618 528 A 120 PHE HE% A 147 LEU HB3 1.0 . 5.03 619 529 A 120 PHE HE% A 147 LEU HDx% 1.0 . 4.28 620 529 A 120 PHE HE% A 147 LEU HDy% 1.0 . 4.28 621 530 A 120 PHE HZ A 136 VAL HGx% 1.0 . 4.87 622 530 A 120 PHE HZ A 136 VAL HGy% 1.0 . 4.87 623 531 A 120 PHE HZ A 147 LEU HBx 1.0 . 4.06 624 531 A 120 PHE HZ A 147 LEU HB3 1.0 . 4.06 625 532 A 121 THR H A 131 LEU HDx% 1.0 . 5.27 626 532 A 121 THR H A 131 LEU HDy% 1.0 . 5.27 627 533 A 121 THR HG2% A 130 PHE HBy 1.0 . 4.32 628 533 A 121 THR HG2% A 130 PHE HBx 1.0 . 4.32 629 534 A 122 VAL H A 122 VAL HGx% 1.0 . 3.37 630 534 A 122 VAL H A 122 VAL HGy% 1.0 . 3.37 631 535 A 122 VAL H A 131 LEU HDx% 1.0 . 4.83 632 535 A 122 VAL H A 131 LEU HDy% 1.0 . 4.83 633 536 A 122 VAL HB A 168 VAL HGx% 1.0 . 4.06 634 536 A 122 VAL HB A 168 VAL HGy% 1.0 . 4.06 635 537 A 123 GLU H A 122 VAL HGx% 1.0 . 3.60 636 537 A 123 GLU H A 122 VAL HGy% 1.0 . 3.60 637 538 A 122 VAL HGy% A 123 GLU HBx 1.0 . 4.04 638 538 A 122 VAL HGx% A 123 GLU HBx 1.0 . 4.04 639 538 A 123 GLU HBy A 122 VAL HGx% 1.0 . 4.04 640 538 A 122 VAL HGy% A 123 GLU HBy 1.0 . 4.04 641 539 A 124 LEU HG A 122 VAL HGx% 1.0 . 3.90 642 539 A 124 LEU HG A 122 VAL HGy% 1.0 . 3.90 643 540 A 122 VAL HGy% A 124 LEU HDx% 1.0 . 3.02 644 540 A 122 VAL HGx% A 124 LEU HDx% 1.0 . 3.02 645 540 A 124 LEU HDy% A 122 VAL HGx% 1.0 . 3.02 646 540 A 122 VAL HGy% A 124 LEU HDy% 1.0 . 3.02 647 541 A 129 ALA H A 122 VAL HGx% 1.0 . 5.07 648 541 A 129 ALA H A 122 VAL HGy% 1.0 . 5.07 649 542 A 129 ALA HB% A 122 VAL HGx% 1.0 . 4.09 650 542 A 129 ALA HB% A 122 VAL HGy% 1.0 . 4.09 651 543 A 131 LEU H A 122 VAL HGx% 1.0 . 3.96 652 543 A 131 LEU H A 122 VAL HGy% 1.0 . 3.96 653 544 A 122 VAL HGx% A 131 LEU HDx% 1.0 . 4.86 654 544 A 122 VAL HGy% A 131 LEU HDx% 1.0 . 4.86 655 544 A 131 LEU HDy% A 122 VAL HGx% 1.0 . 4.86 656 544 A 122 VAL HGy% A 131 LEU HDy% 1.0 . 4.86 657 545 A 154 PHE HD% A 122 VAL HGx% 1.0 . 4.08 658 545 A 154 PHE HD% A 122 VAL HGy% 1.0 . 4.08 659 546 A 154 PHE HE% A 122 VAL HGx% 1.0 . 3.55 660 546 A 154 PHE HE% A 122 VAL HGy% 1.0 . 3.55 661 547 A 123 GLU H A 123 GLU HBx 1.0 . 3.45 662 547 A 123 GLU H A 123 GLU HBy 1.0 . 3.45 663 548 A 123 GLU H A 123 GLU HGy 1.0 . 4.61 664 548 A 123 GLU H A 123 GLU HGx 1.0 . 4.61 665 549 A 125 ASN H A 123 GLU HGy 1.0 . 4.79 666 549 A 125 ASN H A 123 GLU HGx 1.0 . 4.79 667 550 A 126 GLY H A 123 GLU HGy 1.0 . 3.41 668 550 A 126 GLY H A 123 GLU HGx 1.0 . 3.41 669 551 A 127 ILE H A 123 GLU HGy 1.0 . 4.82 670 551 A 127 ILE H A 123 GLU HGx 1.0 . 4.82 671 552 A 124 LEU H A 124 LEU HBx 1.0 . 3.53 672 552 A 124 LEU H A 124 LEU HBy 1.0 . 3.53 673 553 A 124 LEU H A 124 LEU HDx% 1.0 . 4.05 674 553 A 124 LEU H A 124 LEU HDy% 1.0 . 4.05 675 554 A 124 LEU HA A 124 LEU HDx% 1.0 . 3.85 676 554 A 124 LEU HA A 124 LEU HDy% 1.0 . 3.85 677 555 A 124 LEU HBy A 124 LEU HDx% 1.0 . 2.73 678 555 A 124 LEU HBx A 124 LEU HDx% 1.0 . 2.73 679 555 A 124 LEU HDy% A 124 LEU HBx 1.0 . 2.73 680 555 A 124 LEU HDy% A 124 LEU HBy 1.0 . 2.73 681 556 A 125 ASN H A 124 LEU HBx 1.0 . 3.97 682 556 A 125 ASN H A 124 LEU HBy 1.0 . 3.97 683 557 A 124 LEU HBx A 125 ASN HD22 1.0 . 3.89 684 557 A 125 ASN HD21 A 124 LEU HBx 1.0 . 3.89 685 557 A 124 LEU HBy A 125 ASN HD21 1.0 . 3.89 686 557 A 124 LEU HBy A 125 ASN HD22 1.0 . 3.89 687 558 A 127 ILE H A 124 LEU HBx 1.0 . 3.83 688 558 A 127 ILE H A 124 LEU HBy 1.0 . 3.83 689 559 A 125 ASN H A 124 LEU HDx% 1.0 . 4.03 690 559 A 125 ASN H A 124 LEU HDy% 1.0 . 4.03 691 560 A 124 LEU HDx% A 125 ASN HD22 1.0 . 4.60 692 560 A 124 LEU HDy% A 125 ASN HD22 1.0 . 4.60 693 560 A 125 ASN HD21 A 124 LEU HDx% 1.0 . 4.60 694 560 A 124 LEU HDy% A 125 ASN HD21 1.0 . 4.60 695 561 A 129 ALA H A 124 LEU HDx% 1.0 . 5.00 696 561 A 129 ALA H A 124 LEU HDy% 1.0 . 5.00 697 562 A 129 ALA HA A 124 LEU HDx% 1.0 . 5.22 698 562 A 129 ALA HA A 124 LEU HDy% 1.0 . 5.22 699 563 A 154 PHE HE% A 124 LEU HDx% 1.0 . 4.87 700 563 A 154 PHE HE% A 124 LEU HDy% 1.0 . 4.87 701 564 A 125 ASN H A 125 ASN HD22 1.0 . 4.33 702 564 A 125 ASN H A 125 ASN HD21 1.0 . 4.33 703 565 A 125 ASN HBx A 125 ASN HD22 1.0 . 3.07 704 565 A 125 ASN HBy A 125 ASN HD22 1.0 . 3.07 705 565 A 125 ASN HD21 A 125 ASN HBy 1.0 . 3.07 706 565 A 125 ASN HD21 A 125 ASN HBx 1.0 . 3.07 707 566 A 126 GLY H A 125 ASN HBy 1.0 . 4.22 708 566 A 126 GLY H A 125 ASN HBx 1.0 . 4.22 709 567 A 127 ILE H A 127 ILE HG1x 1.0 . 3.33 710 567 A 127 ILE H A 127 ILE HG1y 1.0 . 3.33 711 568 A 128 ARG H A 128 ARG HBx 1.0 . 3.52 712 568 A 128 ARG H A 128 ARG HB3 1.0 . 3.52 713 569 A 128 ARG H A 128 ARG HGy 1.0 . 4.34 714 569 A 128 ARG H A 128 ARG HGx 1.0 . 4.34 715 570 A 129 ALA H A 128 ARG HGy 1.0 . 4.22 716 570 A 129 ALA H A 128 ARG HGx 1.0 . 4.22 717 571 A 130 PHE H A 130 PHE HBy 1.0 . 3.63 718 571 A 130 PHE H A 130 PHE HBx 1.0 . 3.63 719 572 A 130 PHE H A 131 LEU HDx% 1.0 . 4.34 720 572 A 130 PHE H A 131 LEU HDy% 1.0 . 4.34 721 573 A 130 PHE H A 166 VAL HG11 1.0 . 4.29 722 573 A 130 PHE H A 166 VAL HG2% 1.0 . 4.29 723 574 A 130 PHE H A 167 VAL HGx% 1.0 . 4.38 724 574 A 130 PHE H A 167 VAL HGy% 1.0 . 4.38 725 575 A 130 PHE HA A 167 VAL HGx% 1.0 . 5.16 726 575 A 130 PHE HA A 167 VAL HGy% 1.0 . 5.16 727 576 A 167 VAL HA A 130 PHE HBy 1.0 . 4.37 728 576 A 167 VAL HA A 130 PHE HBx 1.0 . 4.37 729 577 A 130 PHE HBx A 167 VAL HGx% 1.0 . 4.00 730 577 A 130 PHE HBy A 167 VAL HGx% 1.0 . 4.00 731 577 A 167 VAL HGy% A 130 PHE HBy 1.0 . 4.00 732 577 A 130 PHE HBx A 167 VAL HGy% 1.0 . 4.00 733 578 A 130 PHE HD% A 167 VAL HGx% 1.0 . 4.04 734 578 A 130 PHE HD% A 167 VAL HGy% 1.0 . 4.04 735 579 A 131 LEU H A 131 LEU HDx% 1.0 . 3.66 736 579 A 131 LEU H A 131 LEU HDy% 1.0 . 3.66 737 580 A 131 LEU H A 168 VAL HGx% 1.0 . 3.98 738 580 A 131 LEU H A 168 VAL HGy% 1.0 . 3.98 739 581 A 131 LEU HA A 168 VAL HGx% 1.0 . 4.28 740 581 A 131 LEU HA A 168 VAL HGy% 1.0 . 4.28 741 582 A 154 PHE HD% A 131 LEU HDx% 1.0 . 4.12 742 582 A 154 PHE HD% A 131 LEU HDy% 1.0 . 4.12 743 583 A 154 PHE HE% A 131 LEU HDx% 1.0 . 3.37 744 583 A 154 PHE HE% A 131 LEU HDy% 1.0 . 3.37 745 584 A 154 PHE HZ A 131 LEU HDx% 1.0 . 3.40 746 584 A 154 PHE HZ A 131 LEU HDy% 1.0 . 3.40 747 585 A 168 VAL H A 131 LEU HDx% 1.0 . 4.08 748 585 A 168 VAL H A 131 LEU HDy% 1.0 . 4.08 749 586 A 131 LEU HDy% A 168 VAL HGx% 1.0 . 3.36 750 586 A 131 LEU HDx% A 168 VAL HGx% 1.0 . 3.36 751 586 A 168 VAL HGy% A 131 LEU HDx% 1.0 . 3.36 752 586 A 131 LEU HDy% A 168 VAL HGy% 1.0 . 3.36 753 587 A 136 VAL H A 136 VAL HGx% 1.0 . 3.28 754 587 A 136 VAL H A 136 VAL HGy% 1.0 . 3.28 755 588 A 137 ASP H A 136 VAL HGx% 1.0 . 3.64 756 588 A 137 ASP H A 136 VAL HGy% 1.0 . 3.64 757 589 A 137 ASP H A 137 ASP HBy 1.0 . 3.38 758 589 A 137 ASP H A 137 ASP HBx 1.0 . 3.38 759 590 A 142 ARG H A 141 VAL HGx% 1.0 . 3.94 760 590 A 142 ARG H A 141 VAL HGy% 1.0 . 3.94 761 591 A 142 ARG H A 142 ARG HBx 1.0 . 3.62 762 591 A 142 ARG H A 142 ARG HBy 1.0 . 3.62 763 592 A 142 ARG H A 142 ARG HGy 1.0 . 3.54 764 592 A 142 ARG H A 142 ARG HGx 1.0 . 3.54 765 593 A 145 LEU H A 145 LEU HBx 1.0 . 3.04 766 593 A 145 LEU H A 145 LEU HBy 1.0 . 3.04 767 594 A 145 LEU H A 145 LEU HDx% 1.0 . 3.68 768 594 A 145 LEU H A 145 LEU HDy% 1.0 . 3.68 769 595 A 146 HIS HA A 147 LEU HDx% 1.0 . 5.14 770 595 A 147 LEU HDy% A 146 HIS HA 1.0 . 5.14 771 596 A 146 HIS HE1 A 147 LEU HDx% 1.0 . 3.61 772 596 A 146 HIS HE1 A 147 LEU HDy% 1.0 . 3.61 773 597 A 147 LEU H A 147 LEU HBx 1.0 . 3.34 774 597 A 147 LEU H A 147 LEU HB3 1.0 . 3.34 775 598 A 147 LEU H A 147 LEU HDx% 1.0 . 3.85 776 598 A 147 LEU H A 147 LEU HDy% 1.0 . 3.85 777 599 A 147 LEU H A 148 GLU HBy 1.0 . 5.34 778 599 A 147 LEU H A 148 GLU HBx 1.0 . 5.34 779 600 A 147 LEU H A 148 GLU HGx 1.0 . 4.54 780 600 A 147 LEU H A 148 GLU HGy 1.0 . 4.54 781 601 A 147 LEU HA A 147 LEU HDx% 1.0 . 3.49 782 601 A 147 LEU HA A 147 LEU HDy% 1.0 . 3.49 783 602 A 149 GLY H A 148 GLU HBy 1.0 . 3.28 784 602 A 149 GLY H A 148 GLU HBx 1.0 . 3.28 785 603 A 150 LYS H A 150 LYS HGy 1.0 . 4.15 786 603 A 150 LYS H A 150 LYS HGx 1.0 . 4.15 787 604 A 151 GLU H A 150 LYS HGy 1.0 . 3.41 788 604 A 151 GLU H A 150 LYS HGx 1.0 . 3.41 789 605 A 151 GLU H A 151 GLU HBx 1.0 . 2.90 790 605 A 151 GLU H A 151 GLU HBy 1.0 . 2.90 791 606 A 151 GLU H A 151 GLU HGx 1.0 . 3.45 792 606 A 151 GLU H A 151 GLU HGy 1.0 . 3.45 793 607 A 152 LEU H A 151 GLU HBx 1.0 . 4.26 794 607 A 152 LEU H A 151 GLU HBy 1.0 . 4.26 795 608 A 152 LEU H A 151 GLU HGx 1.0 . 4.44 796 608 A 152 LEU H A 151 GLU HGy 1.0 . 4.44 797 609 A 153 GLU H A 153 GLU HBy 1.0 . 3.26 798 609 A 153 GLU H A 153 GLU HBx 1.0 . 3.26 799 610 A 153 GLU H A 153 GLU HGx 1.0 . 3.80 800 610 A 153 GLU H A 153 GLU HGy 1.0 . 3.80 801 611 A 154 PHE H A 153 GLU HBy 1.0 . 4.33 802 611 A 154 PHE H A 153 GLU HBx 1.0 . 4.33 803 612 A 154 PHE HA A 168 VAL HGx% 1.0 . 5.44 804 612 A 154 PHE HA A 168 VAL HGy% 1.0 . 5.44 805 613 A 154 PHE HBx A 168 VAL HGx% 1.0 . 3.85 806 613 A 168 VAL HGy% A 154 PHE HBx 1.0 . 3.85 807 613 A 168 VAL HGy% A 154 PHE HBy 1.0 . 3.85 808 613 A 154 PHE HBy A 168 VAL HGx% 1.0 . 3.85 809 614 A 154 PHE HD% A 168 VAL HGx% 1.0 . 3.20 810 614 A 154 PHE HD% A 168 VAL HGy% 1.0 . 3.20 811 615 A 154 PHE HE% A 168 VAL HGx% 1.0 . 4.04 812 615 A 154 PHE HE% A 168 VAL HGy% 1.0 . 4.04 813 616 A 156 VAL H A 156 VAL HGx% 1.0 . 3.64 814 616 A 156 VAL HGy% A 156 VAL H 1.0 . 3.64 815 617 A 158 LYS H A 156 VAL HGx% 1.0 . 3.41 816 617 A 158 LYS H A 156 VAL HGy% 1.0 . 3.41 817 618 A 157 ILE H A 168 VAL HGx% 1.0 . 4.59 818 618 A 157 ILE H A 168 VAL HGy% 1.0 . 4.59 819 619 A 158 LYS H A 167 VAL HGx% 1.0 . 4.93 820 619 A 158 LYS H A 167 VAL HGy% 1.0 . 4.93 821 620 A 159 LEU H A 159 LEU HD1% 1.0 . 4.29 822 620 A 159 LEU H A 159 LEU HD21 1.0 . 4.29 823 621 A 160 ASP H A 159 LEU HBx 1.0 . 4.39 824 621 A 159 LEU HB3 A 160 ASP H 1.0 . 4.39 825 622 A 167 VAL H A 159 LEU HBx 1.0 . 3.81 826 622 A 167 VAL H A 159 LEU HB3 1.0 . 3.81 827 623 A 165 ASN H A 160 ASP HBx 1.0 . 5.13 828 623 A 165 ASN H A 160 ASP HBy 1.0 . 5.13 829 624 A 161 GLN H A 161 GLN HBx 1.0 . 3.39 830 624 A 161 GLN H A 161 GLN HBy 1.0 . 3.39 831 625 A 161 GLN H A 161 GLN HGx 1.0 . 4.33 832 625 A 161 GLN H A 161 GLN HGy 1.0 . 4.33 833 626 A 161 GLN HBy A 161 GLN HE22 1.0 . 3.61 834 626 A 161 GLN HBx A 161 GLN HE22 1.0 . 3.61 835 626 A 161 GLN HE21 A 161 GLN HBx 1.0 . 3.61 836 626 A 161 GLN HBy A 161 GLN HE21 1.0 . 3.61 837 627 A 165 ASN HA A 166 VAL HG11 1.0 . 4.32 838 627 A 165 ASN HA A 166 VAL HG2% 1.0 . 4.32 839 628 A 166 VAL H A 165 ASN HD22 1.0 . 4.02 840 628 A 166 VAL H A 165 ASN HD21 1.0 . 4.02 841 629 A 165 ASN HD21 A 167 VAL HGx% 1.0 . 4.19 842 629 A 165 ASN HD22 A 167 VAL HGx% 1.0 . 4.19 843 629 A 167 VAL HGy% A 165 ASN HD22 1.0 . 4.19 844 629 A 167 VAL HGy% A 165 ASN HD21 1.0 . 4.19 845 630 A 166 VAL H A 166 VAL HG11 1.0 . 4.00 846 630 A 166 VAL H A 166 VAL HG2% 1.0 . 4.00 847 631 A 167 VAL H A 166 VAL HG11 1.0 . 4.11 848 631 A 167 VAL H A 166 VAL HG2% 1.0 . 4.11 849 632 A 167 VAL HA A 166 VAL HG11 1.0 . 4.48 850 632 A 167 VAL HA A 166 VAL HG2% 1.0 . 4.48 851 633 A 167 VAL H A 167 VAL HGx% 1.0 . 3.62 852 633 A 167 VAL H A 167 VAL HGy% 1.0 . 3.62 853 634 A 167 VAL HA A 167 VAL HGx% 1.0 . 3.14 854 634 A 167 VAL HA A 167 VAL HGy% 1.0 . 3.14 855 635 A 167 VAL HA A 168 VAL HGx% 1.0 . 4.61 856 635 A 167 VAL HA A 168 VAL HGy% 1.0 . 4.61 857 636 A 168 VAL H A 167 VAL HGx% 1.0 . 3.73 858 636 A 168 VAL H A 167 VAL HGy% 1.0 . 3.73 859 637 A 168 VAL H A 168 VAL HGx% 1.0 . 3.60 860 637 A 168 VAL H A 168 VAL HGy% 1.0 . 3.60 861 638 A 169 SER H A 168 VAL HGx% 1.0 . 4.60 862 638 A 169 SER H A 168 VAL HGy% 1.0 . 4.60 863 639 A 172 ALA H A 169 SER HBx 1.0 . 4.52 864 639 A 172 ALA H A 169 SER HBy 1.0 . 4.52 865 640 A 171 ARG HBx A 171 ARG HDx 1.0 . 3.28 866 640 A 171 ARG HB3 A 171 ARG HDx 1.0 . 3.28 867 640 A 171 ARG HDy A 171 ARG HBx 1.0 . 3.28 868 640 A 171 ARG HB3 A 171 ARG HDy 1.0 . 3.28 869 641 A 172 ALA H A 171 ARG HBx 1.0 . 3.82 870 641 A 172 ALA H A 171 ARG HB3 1.0 . 3.82 871 642 A 173 VAL H A 173 VAL HGx% 1.0 . 3.46 872 642 A 173 VAL H A 173 VAL HGy% 1.0 . 3.46 873 643 A 174 ILE H A 173 VAL HGx% 1.0 . 3.26 874 643 A 174 ILE H A 173 VAL HGy% 1.0 . 3.26 875 644 A 175 GLU H A 173 VAL HGx% 1.0 . 4.68 876 644 A 175 GLU H A 173 VAL HGy% 1.0 . 4.68 877 645 A 176 SER H A 173 VAL HGx% 1.0 . 4.68 878 645 A 176 SER H A 173 VAL HGy% 1.0 . 4.68 879 646 A 177 GLU H A 173 VAL HGx% 1.0 . 4.07 880 646 A 177 GLU H A 173 VAL HGy% 1.0 . 4.07 881 647 A 175 GLU H A 175 GLU HBx 1.0 . 3.16 882 647 A 175 GLU H A 175 GLU HBy 1.0 . 3.16 883 648 A 175 GLU H A 175 GLU HGx 1.0 . 3.33 884 648 A 175 GLU H A 175 GLU HGy 1.0 . 3.33 885 649 A 175 GLU H A 176 SER HBx 1.0 . 4.77 886 649 A 175 GLU H A 176 SER HBy 1.0 . 4.77 887 650 A 176 SER H A 175 GLU HBx 1.0 . 3.59 888 650 A 176 SER H A 175 GLU HBy 1.0 . 3.59 889 651 A 176 SER H A 175 GLU HGx 1.0 . 4.00 890 651 A 176 SER H A 175 GLU HGy 1.0 . 4.00 891 652 A 176 SER H A 176 SER HBx 1.0 . 2.99 892 652 A 176 SER H A 176 SER HBy 1.0 . 2.99 893 653 A 177 GLU H A 176 SER HBx 1.0 . 3.93 894 653 A 177 GLU H A 176 SER HBy 1.0 . 3.93 895 654 A 177 GLU H A 177 GLU HBx 1.0 . 2.79 896 654 A 177 GLU H A 177 GLU HBy 1.0 . 2.79 897 655 A 178 ASN H A 177 GLU HBx 1.0 . 2.94 898 655 A 178 ASN H A 177 GLU HBy 1.0 . 2.94 899 656 A 178 ASN H A 177 GLU HGx 1.0 . 4.51 900 656 A 178 ASN H A 177 GLU HGy 1.0 . 4.51 901 657 A 178 ASN H A 178 ASN HBx 1.0 . 2.94 902 657 A 178 ASN H A 178 ASN HBy 1.0 . 2.94 903 658 A 178 ASN HBx A 178 ASN HD22 1.0 . 3.07 904 658 A 178 ASN HBy A 178 ASN HD22 1.0 . 3.07 905 658 A 178 ASN HD21 A 178 ASN HBx 1.0 . 3.07 906 658 A 178 ASN HBy A 178 ASN HD21 1.0 . 3.07 907 659 A 179 SER H A 178 ASN HBx 1.0 . 4.09 908 659 A 179 SER H A 178 ASN HBy 1.0 . 4.09 909 660 A 179 SER H A 179 SER HB3 1.0 . 3.07 910 660 A 179 SER H A 179 SER HB2 1.0 . 3.07 stop_ save_