data_nef_c19604_2mgu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MGU stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 133 ASP OD1 3 2 CA CA 1 20 ASP OD1 3 3 CA CA 1 67 GLU OE1 3 4 CA CA 1 131 ASP OD1 3 2 CA CA 1 31 GLU OE2 3 3 CA CA 1 140 GLU OE2 3 2 CA CA 1 24 ASP OD1 3 3 CA CA 1 67 GLU OE2 3 4 CA CA 1 31 GLU OE1 3 3 CA CA 1 99 TYR O 3 1 CA CA 1 60 ASN OD1 3 4 CA CA 1 140 GLU OE1 3 2 CA CA 1 58 ASP OD1 3 4 CA CA 1 104 GLU OE2 3 1 CA CA 1 93 ASP OD1 3 1 CA CA 1 95 ASP OD1 3 1 CA CA 1 104 GLU OE1 3 1 CA CA 1 26 THR O 3 3 CA CA 1 97 ASN OD1 3 1 CA CA 1 22 ASP OD1 3 3 CA CA 1 135 GLN O 3 2 CA CA 1 62 THR O 3 4 CA CA 1 56 ASP OD1 3 4 CA CA 1 129 ASP OD1 3 2 CA CA 1 131 ASP OD2 3 2 CA CA 1 133 ASP OD2 3 2 CA CA stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 ASP middle . . 3 A 3 GLN middle . . 4 A 4 LEU middle . . 5 A 5 THR middle . . 6 A 6 GLU middle . . 7 A 7 GLU middle . . 8 A 8 GLN middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 GLU middle . . 12 A 12 PHE middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 SER middle . . 18 A 18 LEU middle . . 19 A 19 PHE middle . . 20 A 20 ASP middle . . 21 A 21 LYS middle . . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 ILE middle . . 28 A 28 THR middle . . 29 A 29 THR middle . . 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 LEU middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 VAL middle . . 36 A 36 MET middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 LEU middle . . 40 A 40 GLY middle . false 41 A 41 GLN middle . . 42 A 42 ASN middle . . 43 A 43 PRO middle . false 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 ALA middle . . 47 A 47 GLU middle . . 48 A 48 LEU middle . . 49 A 49 GLN middle . . 50 A 50 ASP middle . . 51 A 51 MET middle . . 52 A 52 ILE middle . . 53 A 53 ASN middle . . 54 A 54 GLU middle . . 55 A 55 VAL middle . . 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 ASP middle . . 59 A 59 GLY middle . false 60 A 60 ASN middle . . 61 A 61 GLY middle . false 62 A 62 THR middle . . 63 A 63 ILE middle . . 64 A 64 ASP middle . . 65 A 65 PHE middle . . 66 A 66 PRO middle . false 67 A 67 GLU middle . . 68 A 68 PHE middle . . 69 A 69 LEU middle . . 70 A 70 THR middle . . 71 A 71 MET middle . . 72 A 72 MET middle . . 73 A 73 ALA middle . . 74 A 74 ARG middle . . 75 A 75 LYS middle . . 76 A 76 MET middle . . 77 A 77 LYS middle . . 78 A 78 ASP middle . . 79 A 79 THR middle . . 80 A 80 ASP middle . . 81 A 81 SER middle . . 82 A 82 GLU middle . . 83 A 83 GLU middle . . 84 A 84 GLU middle . . 85 A 85 ILE middle . . 86 A 86 ARG middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 PHE middle . . 90 A 90 ARG middle . . 91 A 91 VAL middle . . 92 A 92 PHE middle . . 93 A 93 ASP middle . . 94 A 94 LYS middle . . 95 A 95 ASP middle . . 96 A 96 GLY middle . false 97 A 97 ASN middle . . 98 A 98 GLY middle . false 99 A 99 TYR middle . . 100 A 100 ILE middle . . 101 A 101 SER middle . . 102 A 102 ALA middle . . 103 A 103 ALA middle . . 104 A 104 GLU middle . . 105 A 105 LEU middle . . 106 A 106 ARG middle . . 107 A 107 HIS middle . . 108 A 108 VAL middle . . 109 A 109 MET middle . . 110 A 110 THR middle . . 111 A 111 ASN middle . . 112 A 112 LEU middle . . 113 A 113 GLY middle . false 114 A 114 GLU middle . . 115 A 115 LYS middle . . 116 A 116 LEU middle . . 117 A 117 THR middle . . 118 A 118 ASP middle . . 119 A 119 GLU middle . . 120 A 120 GLU middle . . 121 A 121 VAL middle . . 122 A 122 ASP middle . . 123 A 123 GLU middle . . 124 A 124 MET middle . . 125 A 125 ILE middle . . 126 A 126 ARG middle . . 127 A 127 GLU middle . . 128 A 128 ALA middle . . 129 A 129 ASP middle . . 130 A 130 ILE middle . . 131 A 131 ASP middle . . 132 A 132 GLY middle . false 133 A 133 ASP middle . . 134 A 134 GLY middle . false 135 A 135 GLN middle . . 136 A 136 VAL middle . . 137 A 137 ASN middle . . 138 A 138 TYR middle . . 139 A 139 GLU middle . . 140 A 140 GLU middle . . 141 A 141 PHE middle . . 142 A 142 VAL middle . . 143 A 143 GLN middle . . 144 A 144 MET middle . . 145 A 145 MET middle . . 146 A 146 THR middle . . 147 A 147 ALA middle . . 148 A 148 LYS end . . 149 M 8 LEU start . . 150 M 9 SER middle . . 151 M 10 GLY middle . false 152 M 11 GLY middle . false 153 M 12 GLU middle . . 154 M 13 LEU middle . . 155 M 14 ASP middle . . 156 M 15 LYS middle . . 157 M 16 TRP middle . . 158 M 17 GLU middle . . 159 M 18 LYS middle . . 160 M 19 ILE middle . . 161 M 20 ARG middle . . 162 M 21 LEU middle . . 163 M 22 ARG middle . . 164 M 23 PRO middle . false 165 M 24 GLY middle . false 166 M 25 GLY middle . false 167 M 26 LYS middle . . 168 M 27 LYS middle . . 169 M 28 GLN middle . . 170 M 29 TYR middle . . 171 M 30 LYS middle . . 172 M 31 LEU middle . . 173 M 32 LYS middle . . 174 M 33 HIS middle . . 175 M 34 ILE middle . . 176 M 35 VAL middle . . 177 M 36 TRP middle . . 178 M 37 ALA middle . . 179 M 38 SER middle . . 180 M 39 ARG middle . . 181 M 40 GLU middle . . 182 M 41 LEU middle . . 183 M 42 GLU middle . . 184 M 43 ARG end . . 185 B 1 CA . . . 186 B 2 CA . . . 187 B 3 CA . . . 188 B 4 CA . . . 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 2 ASP HA H 1 4.64 0.011 A 2 ASP HBy H 1 2.689 0.008 A 2 ASP HBx H 1 2.542 0.009 A 2 ASP CA C 13 54.613 0.049 A 2 ASP CB C 13 41.351 0.049 A 3 GLN H H 1 8.388 0.001 A 3 GLN HA H 1 4.373 0.004 A 3 GLN HBx H 1 1.972 0.005 A 3 GLN HBy H 1 2.083 0.017 A 3 GLN HG2 H 1 2.357 0.007 A 3 GLN HG3 H 1 2.357 0.007 A 3 GLN CA C 13 55.498 0.092 A 3 GLN CB C 13 29.778 0.05 A 3 GLN CG C 13 33.699 0.063 A 3 GLN N N 15 120.3 0.038 A 4 LEU H H 1 8.299 0.004 A 4 LEU HA H 1 4.687 0.012 A 4 LEU HB2 H 1 1.738 0.015 A 4 LEU HB3 H 1 1.519 0.012 A 4 LEU HD1% H 1 0.969 0.012 A 4 LEU HD2% H 1 0.962 0.015 A 4 LEU HG H 1 1.743 0.008 A 4 LEU CA C 13 54.359 0.06 A 4 LEU CB C 13 43.653 0.062 A 4 LEU CD1 C 13 26.746 0.086 A 4 LEU CD2 C 13 23.883 0.06 A 4 LEU CG C 13 27.104 0.059 A 4 LEU N N 15 123.525 0.049 A 5 THR H H 1 8.651 0.001 A 5 THR HA H 1 4.476 0.006 A 5 THR HB H 1 4.751 0.004 A 5 THR HG2% H 1 1.322 0.003 A 5 THR CA C 13 60.463 0.000 A 5 THR CB C 13 71.25 0.000 A 5 THR N N 15 113.299 0.012 A 6 GLU H H 1 9.014 0.002 A 6 GLU HA H 1 3.975 0.007 A 6 GLU HB2 H 1 2.048 0.006 A 6 GLU HB3 H 1 2.048 0.006 A 6 GLU HG2 H 1 2.35 0.013 A 6 GLU HG3 H 1 2.35 0.013 A 6 GLU CA C 13 59.935 0.065 A 6 GLU CB C 13 29.199 0.000 A 6 GLU CG C 13 36.624 0.000 A 6 GLU N N 15 120.62 0.008 A 7 GLU H H 1 8.713 0.007 A 7 GLU HA H 1 4.068 0.008 A 7 GLU HBx H 1 1.925 0.003 A 7 GLU HBy H 1 2.048 0.006 A 7 GLU HG2 H 1 2.318 0.000 A 7 GLU HG3 H 1 2.318 0.000 A 7 GLU CA C 13 59.943 0.057 A 7 GLU CB C 13 29.078 0.000 A 7 GLU CG C 13 36.744 0.000 A 7 GLU N N 15 119.586 0.018 A 8 GLN H H 1 7.719 0.002 A 8 GLN HA H 1 3.825 0.004 A 8 GLN HB2 H 1 1.66 0.008 A 8 GLN HE21 H 1 6.806 0.000 A 8 GLN HE22 H 1 7.463 0.005 A 8 GLN CA C 13 58.775 0.027 A 8 GLN CB C 13 29.46 0.000 A 8 GLN CG C 13 35.142 0.000 A 8 GLN N N 15 120.413 0.038 A 8 GLN NE2 N 15 111.38 0.003 A 9 ILE H H 1 8.267 0.005 A 9 ILE HA H 1 3.668 0.01 A 9 ILE HB H 1 1.95 0.01 A 9 ILE HD1% H 1 0.869 0.013 A 9 ILE HG1y H 1 1.823 0.009 A 9 ILE HG1x H 1 1.096 0.005 A 9 ILE HG2% H 1 1.127 0.011 A 9 ILE CA C 13 66.235 0.066 A 9 ILE CB C 13 37.821 0.045 A 9 ILE CD1 C 13 12.94 0.064 A 9 ILE CG1 C 13 30.32 0.083 A 9 ILE CG2 C 13 17.465 0.06 A 9 ILE N N 15 119.362 0.02 A 10 ALA H H 1 8.023 0.006 A 10 ALA HA H 1 4.118 0.01 A 10 ALA HB% H 1 1.522 0.007 A 10 ALA CA C 13 55.397 0.05 A 10 ALA CB C 13 17.796 0.017 A 10 ALA N N 15 121.321 0.026 A 11 GLU H H 1 7.761 0.004 A 11 GLU HA H 1 4.141 0.001 A 11 GLU HBx H 1 1.913 0.002 A 11 GLU HBy H 1 2.04 0.0 A 11 GLU HGx H 1 2.172 0.001 A 11 GLU HGy H 1 2.38 0.003 A 11 GLU CA C 13 59.411 0.045 A 11 GLU CB C 13 29.208 0.000 A 11 GLU N N 15 119.865 0.041 A 12 PHE H H 1 8.479 0.002 A 12 PHE HA H 1 5.023 0.014 A 12 PHE HBx H 1 3.451 0.006 A 12 PHE HBy H 1 3.522 0.016 A 12 PHE HDx H 1 7.147 0.01 A 12 PHE HDy H 1 7.147 0.01 A 12 PHE HEx H 1 7.27 0.003 A 12 PHE HEy H 1 7.27 0.003 A 12 PHE CA C 13 58.712 0.056 A 12 PHE CB C 13 37.517 0.064 A 12 PHE CDx C 13 130.221 0.05 A 12 PHE CDy C 13 130.221 0.05 A 12 PHE CEx C 13 131.438 0.077 A 12 PHE CEy C 13 131.438 0.077 A 12 PHE N N 15 119.971 0.018 A 13 LYS H H 1 9.222 0.005 A 13 LYS HA H 1 3.974 0.017 A 13 LYS HB2 H 1 1.908 0.013 A 13 LYS HB3 H 1 1.908 0.013 A 13 LYS HDy H 1 1.346 0.001 A 13 LYS HDx H 1 1.189 0.004 A 13 LYS HEx H 1 2.564 0.007 A 13 LYS HEy H 1 2.564 0.007 A 13 LYS HGy H 1 1.179 0.015 A 13 LYS HGx H 1 1.015 0.01 A 13 LYS CA C 13 59.956 0.087 A 13 LYS CB C 13 31.778 0.079 A 13 LYS CD C 13 28.563 0.043 A 13 LYS CE C 13 41.551 0.041 A 13 LYS CG C 13 25.371 0.084 A 13 LYS N N 15 123.604 0.02 A 14 GLU H H 1 7.924 0.002 A 14 GLU HA H 1 4.113 0.000 A 14 GLU HB2 H 1 2.241 0.005 A 14 GLU HB3 H 1 2.241 0.005 A 14 GLU HG2 H 1 2.421 0.006 A 14 GLU HG3 H 1 2.421 0.006 A 14 GLU CA C 13 59.562 0.036 A 14 GLU CB C 13 29.415 0.000 A 14 GLU CG C 13 36.182 0.000 A 14 GLU N N 15 120.976 0.033 A 15 ALA H H 1 7.99 0.003 A 15 ALA HA H 1 4.324 0.015 A 15 ALA HB% H 1 1.91 0.016 A 15 ALA CA C 13 55.138 0.069 A 15 ALA CB C 13 18.002 0.063 A 15 ALA N N 15 122.303 0.053 A 16 PHE H H 1 8.666 0.004 A 16 PHE HA H 1 3.27 0.009 A 16 PHE HB2 H 1 2.666 0.013 A 16 PHE HB3 H 1 3.134 0.021 A 16 PHE HDx H 1 6.474 0.005 A 16 PHE HDy H 1 6.474 0.005 A 16 PHE HEx H 1 7.018 0.013 A 16 PHE HEy H 1 7.018 0.013 A 16 PHE HZ H 1 7.168 0.016 A 16 PHE CA C 13 61.988 0.094 A 16 PHE CB C 13 39.906 0.09 A 16 PHE CDx C 13 132.005 0.000 A 16 PHE CDy C 13 132.005 0.000 A 16 PHE CEx C 13 131.109 0.079 A 16 PHE CEy C 13 131.109 0.079 A 16 PHE CZ C 13 129.598 0.075 A 16 PHE N N 15 119.011 0.034 A 17 SER H H 1 8.202 0.003 A 17 SER HA H 1 4.086 0.025 A 17 SER CA C 13 61.532 0.08 A 17 SER CB C 13 62.921 0.000 A 17 SER N N 15 113.988 0.035 A 18 LEU H H 1 7.28 0.004 A 18 LEU HA H 1 3.95 0.011 A 18 LEU HBy H 1 1.717 0.01 A 18 LEU HBx H 1 1.634 0.009 A 18 LEU HD1% H 1 0.657 0.009 A 18 LEU HD2% H 1 0.803 0.016 A 18 LEU HG H 1 1.471 0.008 A 18 LEU CA C 13 57.487 0.086 A 18 LEU CB C 13 41.523 0.071 A 18 LEU CD1 C 13 24.583 0.074 A 18 LEU CD2 C 13 24.628 0.069 A 18 LEU CG C 13 26.783 0.09 A 18 LEU N N 15 120.913 0.027 A 19 PHE H H 1 7.07 0.001 A 19 PHE HA H 1 4.032 0.007 A 19 PHE HBy H 1 2.711 0.023 A 19 PHE HBx H 1 2.583 0.016 A 19 PHE HDx H 1 7.326 0.008 A 19 PHE HDy H 1 7.326 0.008 A 19 PHE HEx H 1 7.255 0.013 A 19 PHE HEy H 1 7.255 0.013 A 19 PHE HZ H 1 7.352 0.026 A 19 PHE CA C 13 59.406 0.102 A 19 PHE CB C 13 41.557 0.071 A 19 PHE CDx C 13 131.962 0.082 A 19 PHE CDy C 13 131.962 0.082 A 19 PHE CEx C 13 130.908 0.075 A 19 PHE CEy C 13 130.908 0.075 A 19 PHE CZ C 13 131.28 0.102 A 19 PHE N N 15 113.613 0.032 A 20 ASP H H 1 7.79 0.007 A 20 ASP HA H 1 4.593 0.008 A 20 ASP HB2 H 1 1.495 0.011 A 20 ASP HB3 H 1 2.3 0.014 A 20 ASP CA C 13 52.468 0.107 A 20 ASP CB C 13 39.296 0.108 A 20 ASP N N 15 117.393 0.034 A 21 LYS H H 1 7.707 0.002 A 21 LYS HA H 1 3.978 0.006 A 21 LYS HB2 H 1 1.854 0.006 A 21 LYS HB3 H 1 1.854 0.006 A 21 LYS HD2 H 1 1.677 0.005 A 21 LYS HD3 H 1 1.677 0.005 A 21 LYS HE2 H 1 2.985 0.015 A 21 LYS HE3 H 1 2.985 0.015 A 21 LYS HG2 H 1 1.474 0.009 A 21 LYS HG3 H 1 1.474 0.009 A 21 LYS CA C 13 58.32 0.05 A 21 LYS CB C 13 32.673 0.034 A 21 LYS CD C 13 28.367 0.139 A 21 LYS CE C 13 41.885 0.083 A 21 LYS CG C 13 24.705 0.034 A 21 LYS N N 15 124.292 0.032 A 22 ASP H H 1 8.025 0.004 A 22 ASP HA H 1 4.58 0.006 A 22 ASP HBx H 1 2.622 0.0 A 22 ASP HBy H 1 3.059 0.007 A 22 ASP CA C 13 52.791 0.036 A 22 ASP CB C 13 39.565 0.045 A 22 ASP N N 15 114.139 0.039 A 23 GLY H H 1 7.661 0.003 A 23 GLY HA2 H 1 3.851 0.003 A 23 GLY HA3 H 1 3.851 0.003 A 23 GLY CA C 13 47.216 0.025 A 23 GLY N N 15 109.378 0.043 A 24 ASP H H 1 8.466 0.003 A 24 ASP HA H 1 4.515 0.002 A 24 ASP HB2 H 1 2.454 0.021 A 24 ASP HB3 H 1 3.053 0.002 A 24 ASP CA C 13 53.678 0.024 A 24 ASP CB C 13 40.503 0.032 A 24 ASP N N 15 121.022 0.038 A 25 GLY H H 1 10.507 0.003 A 25 GLY HA2 H 1 3.703 0.003 A 25 GLY HA3 H 1 4.362 0.007 A 25 GLY CA C 13 45.346 0.047 A 25 GLY N N 15 112.81 0.026 A 26 THR H H 1 8.191 0.002 A 26 THR HA H 1 5.431 0.035 A 26 THR HB H 1 3.834 0.007 A 26 THR HG2% H 1 1.044 0.011 A 26 THR CA C 13 59.576 0.057 A 26 THR CB C 13 72.73 0.071 A 26 THR CG2 C 13 22.051 0.103 A 26 THR N N 15 112.094 0.038 A 27 ILE H H 1 9.845 0.005 A 27 ILE HA H 1 4.767 0.008 A 27 ILE HB H 1 1.666 0.012 A 27 ILE HD1% H 1 0.277 0.019 A 27 ILE HG12 H 1 0.153 0.02 A 27 ILE HG13 H 1 1.22 0.012 A 27 ILE HG2% H 1 0.898 0.022 A 27 ILE CA C 13 61.13 0.072 A 27 ILE CB C 13 39.988 0.101 A 27 ILE CD1 C 13 15.225 0.089 A 27 ILE CG1 C 13 26.79 0.083 A 27 ILE CG2 C 13 17.243 0.067 A 27 ILE N N 15 126.447 0.033 A 28 THR H H 1 8.322 0.006 A 28 THR HA H 1 4.894 0.019 A 28 THR HB H 1 4.801 0.015 A 28 THR HG1 H 1 5.748 0.002 A 28 THR HG2% H 1 1.276 0.016 A 28 THR CA C 13 59.217 0.035 A 28 THR CB C 13 72.48 0.082 A 28 THR CG2 C 13 21.797 0.082 A 28 THR N N 15 116.315 0.061 A 29 THR H H 1 9.251 0.005 A 29 THR HA H 1 3.79 0.009 A 29 THR HB H 1 4.222 0.004 A 29 THR HG2% H 1 1.292 0.013 A 29 THR CA C 13 66.207 0.059 A 29 THR CB C 13 67.737 0.038 A 29 THR CG2 C 13 23.391 0.019 A 29 THR N N 15 112.27 0.036 A 30 LYS H H 1 7.569 0.003 A 30 LYS HA H 1 4.118 0.013 A 30 LYS HB2 H 1 1.823 0.002 A 30 LYS HB3 H 1 1.823 0.002 A 30 LYS HD2 H 1 1.681 0.008 A 30 LYS HD3 H 1 1.681 0.008 A 30 LYS HE2 H 1 2.982 0.01 A 30 LYS HE3 H 1 2.982 0.01 A 30 LYS HGy H 1 1.501 0.002 A 30 LYS HGx H 1 1.415 0.000 A 30 LYS CA C 13 59.257 0.131 A 30 LYS CB C 13 32.533 0.072 A 30 LYS CD C 13 28.901 0.18 A 30 LYS CE C 13 41.742 0.000 A 30 LYS CG C 13 24.854 0.172 A 30 LYS N N 15 121.127 0.028 A 31 GLU H H 1 7.715 0.004 A 31 GLU HA H 1 4.016 0.015 A 31 GLU HBx H 1 2.479 0.006 A 31 GLU HBy H 1 2.712 0.006 A 31 GLU HG2 H 1 2.336 0.005 A 31 GLU HG3 H 1 2.336 0.005 A 31 GLU CA C 13 59.457 0.086 A 31 GLU CB C 13 29.551 0.057 A 31 GLU CG C 13 38.168 0.064 A 31 GLU N N 15 121.876 0.03 A 32 LEU H H 1 8.592 0.005 A 32 LEU HA H 1 4.194 0.013 A 32 LEU HB2 H 1 1.438 0.014 A 32 LEU HB3 H 1 1.964 0.018 A 32 LEU HD1% H 1 0.948 0.022 A 32 LEU HD2% H 1 0.924 0.031 A 32 LEU HG H 1 1.575 0.000 A 32 LEU CA C 13 58.187 0.092 A 32 LEU CB C 13 42.156 0.086 A 32 LEU CD1 C 13 24.007 0.071 A 32 LEU CD2 C 13 26.535 0.081 A 32 LEU N N 15 120.674 0.058 A 33 GLY H H 1 8.861 0.003 A 33 GLY HA2 H 1 3.981 0.013 A 33 GLY HA3 H 1 3.577 0.008 A 33 GLY CA C 13 48.227 0.061 A 33 GLY N N 15 106.859 0.063 A 34 THR H H 1 7.965 0.004 A 34 THR HA H 1 3.935 0.004 A 34 THR HB H 1 4.349 0.009 A 34 THR HG2% H 1 1.256 0.008 A 34 THR CA C 13 66.964 0.081 A 34 THR CB C 13 68.61 0.101 A 34 THR CG2 C 13 21.45 0.017 A 34 THR N N 15 118.512 0.048 A 35 VAL H H 1 7.532 0.008 A 35 VAL HA H 1 3.571 0.01 A 35 VAL HB H 1 1.945 0.01 A 35 VAL HG1% H 1 0.437 0.011 A 35 VAL HG2% H 1 0.623 0.021 A 35 VAL CA C 13 66.559 0.082 A 35 VAL CB C 13 31.531 0.044 A 35 VAL CG1 C 13 20.613 0.053 A 35 VAL CG2 C 13 22.916 0.072 A 35 VAL N N 15 122.456 0.04 A 36 MET H H 1 8.525 0.005 A 36 MET HA H 1 3.899 0.019 A 36 MET HBx H 1 1.906 0.008 A 36 MET HBy H 1 2.351 0.006 A 36 MET HE% H 1 1.809 0.007 A 36 MET HGx H 1 2.638 0.013 A 36 MET HGy H 1 2.64 0.01 A 36 MET CA C 13 60.156 0.065 A 36 MET CB C 13 31.731 0.000 A 36 MET CE C 13 16.696 0.063 A 36 MET CG C 13 33.472 0.041 A 36 MET N N 15 118.015 0.026 A 37 ARG H H 1 8.579 0.006 A 37 ARG HA H 1 4.781 0.018 A 37 ARG HB2 H 1 1.915 0.002 A 37 ARG HB3 H 1 1.915 0.002 A 37 ARG HDx H 1 3.152 0.011 A 37 ARG HDy H 1 3.325 0.007 A 37 ARG HE H 1 7.425 0.002 A 37 ARG HG2 H 1 1.892 0.0 A 37 ARG HG3 H 1 1.892 0.0 A 37 ARG CA C 13 59.256 0.126 A 37 ARG CB C 13 29.613 0.000 A 37 ARG CD C 13 43.355 0.071 A 37 ARG CG C 13 29.613 0.000 A 37 ARG N N 15 119.604 0.033 A 37 ARG NE N 15 84.955 0.026 A 38 SER H H 1 7.939 0.008 A 38 SER HA H 1 4.396 0.009 A 38 SER HB2 H 1 4.004 0.01 A 38 SER HB3 H 1 4.13 0.008 A 38 SER CA C 13 61.758 0.097 A 38 SER CB C 13 62.691 0.067 A 38 SER N N 15 119.543 0.028 A 39 LEU H H 1 7.394 0.003 A 39 LEU HA H 1 4.441 0.014 A 39 LEU HBy H 1 1.929 0.01 A 39 LEU HBx H 1 1.793 0.011 A 39 LEU HD1% H 1 0.805 0.012 A 39 LEU HD2% H 1 0.797 0.01 A 39 LEU HG H 1 1.806 0.009 A 39 LEU CA C 13 54.616 0.073 A 39 LEU CB C 13 42.13 0.06 A 39 LEU CD1 C 13 26.412 0.081 A 39 LEU CD2 C 13 22.906 0.041 A 39 LEU CG C 13 26.22 0.179 A 39 LEU N N 15 120.454 0.018 A 40 GLY H H 1 7.897 0.003 A 40 GLY HA2 H 1 4.246 0.007 A 40 GLY HA3 H 1 3.803 0.002 A 40 GLY CA C 13 45.615 0.018 A 40 GLY N N 15 107.378 0.022 A 41 GLN H H 1 7.883 0.005 A 41 GLN HA H 1 4.501 0.004 A 41 GLN HBy H 1 2.157 0.005 A 41 GLN HBx H 1 1.623 0.017 A 41 GLN HE21 H 1 7.333 0.001 A 41 GLN HE22 H 1 6.495 0.004 A 41 GLN HG2 H 1 2.225 0.015 A 41 GLN HG3 H 1 2.225 0.015 A 41 GLN CA C 13 54.318 0.094 A 41 GLN CB C 13 30.494 0.123 A 41 GLN CG C 13 33.735 0.095 A 41 GLN N N 15 118.33 0.026 A 41 GLN NE2 N 15 110.817 0.026 A 42 ASN H H 1 8.697 0.003 A 42 ASN HA H 1 5.212 0.011 A 42 ASN HBy H 1 2.783 0.005 A 42 ASN HBx H 1 2.517 0.004 A 42 ASN HD21 H 1 6.732 0.008 A 42 ASN HD22 H 1 7.528 0.003 A 42 ASN CA C 13 51.128 0.072 A 42 ASN CB C 13 39.171 0.004 A 42 ASN N N 15 116.488 0.036 A 42 ASN ND2 N 15 112.309 0.017 A 43 PRO HA H 1 4.784 0.013 A 43 PRO HBy H 1 2.169 0.014 A 43 PRO HBx H 1 1.968 0.01 A 43 PRO HD2 H 1 3.687 0.02 A 43 PRO HD3 H 1 3.207 0.011 A 43 PRO HG2 H 1 1.97 0.013 A 43 PRO HG3 H 1 2.115 0.000 A 43 PRO CA C 13 62.322 0.078 A 43 PRO CB C 13 32.278 0.074 A 43 PRO CD C 13 49.976 0.062 A 43 PRO CG C 13 27.602 0.061 A 44 THR H H 1 8.678 0.005 A 44 THR HA H 1 4.461 0.008 A 44 THR HB H 1 4.729 0.01 A 44 THR HG2% H 1 1.359 0.012 A 44 THR CA C 13 60.411 0.031 A 44 THR CB C 13 71.068 0.077 A 44 THR CG2 C 13 21.814 0.07 A 44 THR N N 15 112.452 0.026 A 45 GLU H H 1 8.803 0.006 A 45 GLU HA H 1 4.01 0.008 A 45 GLU HB2 H 1 2.04 0.001 A 45 GLU HB3 H 1 2.04 0.001 A 45 GLU HG2 H 1 2.331 0.002 A 45 GLU HG3 H 1 2.331 0.002 A 45 GLU CA C 13 59.883 0.107 A 45 GLU N N 15 120.954 0.055 A 46 ALA H H 1 8.272 0.004 A 46 ALA HA H 1 4.117 0.004 A 46 ALA HB% H 1 1.407 0.012 A 46 ALA CA C 13 55.013 0.075 A 46 ALA CB C 13 18.173 0.063 A 46 ALA N N 15 120.643 0.026 A 47 GLU H H 1 7.686 0.002 A 47 GLU HA H 1 4.035 0.007 A 47 GLU HBx H 1 1.929 0.008 A 47 GLU HBy H 1 2.321 0.0 A 47 GLU HG2 H 1 2.331 0.011 A 47 GLU HG3 H 1 2.331 0.011 A 47 GLU CA C 13 59.163 0.05 A 47 GLU CB C 13 29.926 0.000 A 47 GLU CG C 13 37.07 0.000 A 47 GLU N N 15 119.059 0.036 A 48 LEU H H 1 8.036 0.006 A 48 LEU HA H 1 4.025 0.007 A 48 LEU HB2 H 1 2.158 0.016 A 48 LEU HB3 H 1 1.185 0.016 A 48 LEU HD1% H 1 0.866 0.016 A 48 LEU HD2% H 1 0.822 0.011 A 48 LEU HG H 1 1.804 0.000 A 48 LEU CA C 13 57.841 0.072 A 48 LEU CB C 13 42.43 0.067 A 48 LEU CD1 C 13 25.828 0.09 A 48 LEU CD2 C 13 23.992 0.065 A 48 LEU N N 15 119.848 0.054 A 49 GLN H H 1 8.323 0.006 A 49 GLN HA H 1 3.803 0.02 A 49 GLN HBy H 1 2.217 0.008 A 49 GLN HBx H 1 2.153 0.005 A 49 GLN HE21 H 1 7.555 0.004 A 49 GLN HE22 H 1 6.819 0.000 A 49 GLN HGy H 1 2.44 0.013 A 49 GLN HGx H 1 2.424 0.014 A 49 GLN CA C 13 58.561 0.081 A 49 GLN CB C 13 28.242 0.069 A 49 GLN CG C 13 34.113 0.052 A 49 GLN N N 15 118.226 0.036 A 49 GLN NE2 N 15 112.638 0.0 A 50 ASP H H 1 8.147 0.006 A 50 ASP HA H 1 4.398 0.019 A 50 ASP HB2 H 1 2.808 0.016 A 50 ASP HB3 H 1 2.667 0.011 A 50 ASP CA C 13 57.609 0.059 A 50 ASP CB C 13 40.633 0.136 A 50 ASP N N 15 119.928 0.036 A 51 MET H H 1 7.814 0.007 A 51 MET HA H 1 4.05 0.019 A 51 MET HBx H 1 1.891 0.000 A 51 MET HBy H 1 2.34 0.004 A 51 MET HE% H 1 1.988 0.008 A 51 MET HG2 H 1 2.865 0.005 A 51 MET CA C 13 59.555 0.054 A 51 MET CB C 13 32.846 0.025 A 51 MET CE C 13 17.28 0.051 A 51 MET N N 15 117.796 0.062 A 52 ILE H H 1 7.685 0.003 A 52 ILE HA H 1 3.599 0.01 A 52 ILE HB H 1 2.003 0.013 A 52 ILE HD1% H 1 0.697 0.009 A 52 ILE HG12 H 1 1.192 0.007 A 52 ILE HG13 H 1 1.577 0.008 A 52 ILE HG2% H 1 0.724 0.009 A 52 ILE CA C 13 64.106 0.059 A 52 ILE CB C 13 37.059 0.065 A 52 ILE CD1 C 13 11.999 0.101 A 52 ILE CG1 C 13 29.197 0.062 A 52 ILE CG2 C 13 16.151 0.057 A 52 ILE N N 15 118.474 0.044 A 53 ASN H H 1 8.786 0.006 A 53 ASN HA H 1 4.417 0.009 A 53 ASN HBy H 1 3.033 0.006 A 53 ASN HBx H 1 2.883 0.009 A 53 ASN HD21 H 1 7.842 0.009 A 53 ASN HD22 H 1 6.968 0.004 A 53 ASN CA C 13 55.905 0.081 A 53 ASN CB C 13 37.991 0.067 A 53 ASN N N 15 118.591 0.024 A 53 ASN ND2 N 15 111.751 0.0 A 54 GLU H H 1 7.368 0.008 A 54 GLU HA H 1 4.048 0.01 A 54 GLU HBx H 1 2.065 0.008 A 54 GLU HBy H 1 2.229 0.011 A 54 GLU HGy H 1 2.641 0.013 A 54 GLU HGx H 1 2.252 0.003 A 54 GLU CA C 13 59.077 0.083 A 54 GLU CB C 13 30.925 0.059 A 54 GLU CG C 13 36.895 0.06 A 54 GLU N N 15 115.327 0.052 A 55 VAL H H 1 7.133 0.004 A 55 VAL HA H 1 4.227 0.005 A 55 VAL HB H 1 2.106 0.015 A 55 VAL HG1% H 1 0.832 0.009 A 55 VAL HG2% H 1 0.956 0.011 A 55 VAL CA C 13 60.832 0.06 A 55 VAL CB C 13 33.316 0.033 A 55 VAL CG1 C 13 22.849 0.1 A 55 VAL CG2 C 13 21.33 0.107 A 55 VAL N N 15 111.285 0.054 A 56 ASP H H 1 7.567 0.007 A 56 ASP HA H 1 4.468 0.007 A 56 ASP HB2 H 1 2.477 0.01 A 56 ASP HB3 H 1 2.721 0.014 A 56 ASP CA C 13 53.7 0.042 A 56 ASP CB C 13 40.583 0.085 A 56 ASP N N 15 121.291 0.023 A 57 ALA H H 1 8.064 0.007 A 57 ALA HA H 1 4.229 0.006 A 57 ALA HB% H 1 1.546 0.014 A 57 ALA CA C 13 54.355 0.074 A 57 ALA CB C 13 19.695 0.083 A 57 ALA N N 15 131.432 0.02 A 58 ASP H H 1 8.211 0.004 A 58 ASP HA H 1 4.637 0.001 A 58 ASP HBy H 1 3.05 0.006 A 58 ASP HBx H 1 2.666 0.002 A 58 ASP CA C 13 52.768 0.021 A 58 ASP CB C 13 39.848 0.000 A 58 ASP N N 15 114.063 0.029 A 59 GLY H H 1 7.584 0.005 A 59 GLY HA2 H 1 3.768 0.006 A 59 GLY HA3 H 1 3.901 0.011 A 59 GLY CA C 13 47.2 0.052 A 59 GLY N N 15 108.646 0.023 A 60 ASN H H 1 8.162 0.003 A 60 ASN HA H 1 4.62 0.009 A 60 ASN HBy H 1 3.296 0.008 A 60 ASN HBx H 1 2.652 0.007 A 60 ASN HD21 H 1 6.91 0.003 A 60 ASN HD22 H 1 7.75 0.003 A 60 ASN CA C 13 52.677 0.074 A 60 ASN CB C 13 37.579 0.03 A 60 ASN N N 15 118.886 0.03 A 60 ASN ND2 N 15 115.133 0.013 A 61 GLY H H 1 10.568 0.003 A 61 GLY HAy H 1 4.264 0.005 A 61 GLY HAx H 1 3.479 0.002 A 61 GLY CA C 13 45.639 0.053 A 61 GLY N N 15 113.458 0.028 A 62 THR H H 1 7.643 0.003 A 62 THR HA H 1 4.8 0.019 A 62 THR HB H 1 4.005 0.009 A 62 THR HG2% H 1 1.142 0.008 A 62 THR CA C 13 59.327 0.045 A 62 THR CB C 13 72.409 0.06 A 62 THR CG2 C 13 22.358 0.048 A 62 THR N N 15 108.49 0.031 A 63 ILE H H 1 8.544 0.006 A 63 ILE HA H 1 5.214 0.012 A 63 ILE HB H 1 2.021 0.016 A 63 ILE HD1% H 1 0.8 0.012 A 63 ILE HG1x H 1 1.15 0.006 A 63 ILE HG1y H 1 1.438 0.017 A 63 ILE HG2% H 1 1.228 0.007 A 63 ILE CA C 13 59.051 0.064 A 63 ILE CB C 13 39.605 0.05 A 63 ILE CD1 C 13 13.172 0.092 A 63 ILE CG1 C 13 27.319 0.081 A 63 ILE CG2 C 13 18.323 0.066 A 63 ILE N N 15 123.35 0.04 A 64 ASP H H 1 8.902 0.006 A 64 ASP HA H 1 5.507 0.021 A 64 ASP HB2 H 1 3.137 0.007 A 64 ASP HB3 H 1 2.823 0.008 A 64 ASP CA C 13 51.985 0.116 A 64 ASP CB C 13 42.203 0.029 A 64 ASP N N 15 128.48 0.006 A 65 PHE H H 1 8.967 0.002 A 65 PHE HA H 1 3.979 0.028 A 65 PHE HB2 H 1 2.022 0.024 A 65 PHE HB3 H 1 2.801 0.008 A 65 PHE HDx H 1 6.661 0.006 A 65 PHE HDy H 1 6.661 0.006 A 65 PHE HEx H 1 7.167 0.016 A 65 PHE HEy H 1 7.167 0.016 A 65 PHE HZ H 1 7.333 0.012 A 65 PHE CA C 13 63.085 0.143 A 65 PHE CB C 13 35.902 0.057 A 65 PHE CDx C 13 131.889 0.059 A 65 PHE CDy C 13 131.889 0.059 A 65 PHE CEx C 13 130.497 0.102 A 65 PHE CEy C 13 130.497 0.102 A 65 PHE CZ C 13 129.612 0.08 A 65 PHE N N 15 118.622 0.016 A 66 PRO HA H 1 3.888 0.013 A 66 PRO HBy H 1 2.218 0.02 A 66 PRO HBx H 1 1.907 0.012 A 66 PRO HDx H 1 3.751 0.008 A 66 PRO HDy H 1 3.751 0.009 A 66 PRO HGx H 1 1.881 0.011 A 66 PRO HGy H 1 2.156 0.007 A 66 PRO CA C 13 66.85 0.072 A 66 PRO CB C 13 30.8 0.138 A 66 PRO CD C 13 49.112 0.074 A 66 PRO CG C 13 28.428 0.065 A 67 GLU H H 1 8.42 0.005 A 67 GLU HA H 1 3.965 0.005 A 67 GLU HB2 H 1 2.035 0.009 A 67 GLU HB3 H 1 2.647 0.001 A 67 GLU HG2 H 1 2.336 0.005 A 67 GLU HG3 H 1 3.029 0.015 A 67 GLU CA C 13 59.045 0.057 A 67 GLU CB C 13 29.874 0.107 A 67 GLU CG C 13 37.542 0.061 A 67 GLU N N 15 118.243 0.032 A 68 PHE H H 1 8.638 0.008 A 68 PHE HA H 1 3.785 0.015 A 68 PHE HB2 H 1 3.118 0.023 A 68 PHE HB3 H 1 3.466 0.011 A 68 PHE HDx H 1 6.856 0.014 A 68 PHE HDy H 1 6.856 0.014 A 68 PHE HEx H 1 7.092 0.015 A 68 PHE HEy H 1 7.092 0.015 A 68 PHE CA C 13 61.487 0.091 A 68 PHE CB C 13 40.782 0.143 A 68 PHE CDx C 13 131.82 0.094 A 68 PHE CDy C 13 131.82 0.094 A 68 PHE CEx C 13 129.566 0.059 A 68 PHE CEy C 13 129.566 0.059 A 68 PHE N N 15 124.02 0.053 A 69 LEU H H 1 8.972 0.005 A 69 LEU HA H 1 3.368 0.013 A 69 LEU HBy H 1 1.254 0.012 A 69 LEU HBx H 1 1.191 0.016 A 69 LEU HD1% H 1 0.673 0.012 A 69 LEU HD2% H 1 0.703 0.016 A 69 LEU HG H 1 1.032 0.014 A 69 LEU CA C 13 57.854 0.058 A 69 LEU CB C 13 41.385 0.078 A 69 LEU CD1 C 13 25.277 0.116 A 69 LEU CD2 C 13 24.683 0.03 A 69 LEU CG C 13 25.984 0.211 A 69 LEU N N 15 120.062 0.036 A 70 THR H H 1 7.855 0.004 A 70 THR HA H 1 3.697 0.009 A 70 THR HB H 1 4.124 0.016 A 70 THR HG2% H 1 1.173 0.008 A 70 THR CA C 13 66.558 0.072 A 70 THR CB C 13 68.396 0.069 A 70 THR CG2 C 13 21.681 0.046 A 70 THR N N 15 115.488 0.039 A 71 MET H H 1 7.155 0.007 A 71 MET HA H 1 3.757 0.014 A 71 MET HB2 H 1 1.644 0.000 A 71 MET HB3 H 1 2.037 0.001 A 71 MET HE% H 1 1.287 0.006 A 71 MET CA C 13 58.334 0.135 A 71 MET CB C 13 30.736 0.000 A 71 MET CE C 13 16.805 0.091 A 71 MET CG C 13 31.356 0.000 A 71 MET N N 15 119.627 0.056 A 72 MET H H 1 7.646 0.006 A 72 MET HA H 1 3.977 0.007 A 72 MET HB2 H 1 1.022 0.018 A 72 MET HE% H 1 1.593 0.009 A 72 MET HGy H 1 1.625 0.007 A 72 MET HGx H 1 1.322 0.013 A 72 MET CA C 13 55.138 0.126 A 72 MET CB C 13 29.103 0.087 A 72 MET CE C 13 15.922 0.049 A 72 MET CG C 13 31.433 0.155 A 72 MET N N 15 116.046 0.083 A 73 ALA H H 1 8.08 0.005 A 73 ALA HA H 1 4.182 0.007 A 73 ALA HB% H 1 1.398 0.01 A 73 ALA CA C 13 53.1 0.023 A 73 ALA CB C 13 19.292 0.107 A 73 ALA N N 15 120.685 0.04 A 74 ARG H H 1 7.367 0.004 A 74 ARG HA H 1 4.188 0.003 A 74 ARG HB2 H 1 1.871 0.01 A 74 ARG HB3 H 1 1.871 0.01 A 74 ARG HD2 H 1 3.169 0.016 A 74 ARG HD3 H 1 3.169 0.016 A 74 ARG HE H 1 7.217 0.001 A 74 ARG HGy H 1 1.742 0.022 A 74 ARG HGx H 1 1.634 0.013 A 74 ARG CA C 13 56.977 0.094 A 74 ARG CB C 13 30.517 0.057 A 74 ARG CD C 13 43.476 0.04 A 74 ARG CG C 13 27.343 0.073 A 74 ARG N N 15 118.501 0.031 A 74 ARG NE N 15 84.994 0.008 A 76 MET HA H 1 4.413 0.01 A 76 MET HBx H 1 2.013 0.019 A 76 MET HBy H 1 2.067 0.015 A 76 MET HE% H 1 2.028 0.008 A 76 MET HGy H 1 2.569 0.009 A 76 MET HGx H 1 2.507 0.004 A 76 MET CA C 13 55.804 0.096 A 76 MET CB C 13 33.291 0.056 A 76 MET CE C 13 17.199 0.019 A 76 MET CG C 13 32.13 0.065 A 77 LYS H H 1 8.253 0.006 A 77 LYS HA H 1 4.321 0.02 A 77 LYS HBy H 1 1.8 0.007 A 77 LYS HBx H 1 1.675 0.005 A 77 LYS HD2 H 1 1.668 0.000 A 77 LYS HD3 H 1 1.668 0.000 A 77 LYS HE2 H 1 3.023 0.000 A 77 LYS HE3 H 1 3.023 0.000 A 77 LYS HG2 H 1 1.387 0.02 A 77 LYS HG3 H 1 1.387 0.02 A 77 LYS CA C 13 56.418 0.068 A 77 LYS CB C 13 33.251 0.000 A 77 LYS CD C 13 28.95 0.000 A 77 LYS CE C 13 41.947 0.000 A 77 LYS CG C 13 24.7 0.019 A 77 LYS N N 15 121.563 0.05 A 78 ASP H H 1 8.362 0.003 A 78 ASP HA H 1 4.618 0.001 A 78 ASP HBy H 1 2.74 0.003 A 78 ASP HBx H 1 2.623 0.001 A 78 ASP CA C 13 54.855 0.007 A 78 ASP CB C 13 41.116 0.000 A 78 ASP N N 15 121.953 0.051 A 79 THR H H 1 8.014 0.005 A 79 THR HA H 1 4.305 0.011 A 79 THR HB H 1 4.264 0.000 A 79 THR HG2% H 1 1.208 0.009 A 79 THR CA C 13 62.124 0.075 A 79 THR CB C 13 69.634 0.021 A 79 THR CG2 C 13 21.634 0.079 A 79 THR N N 15 113.276 0.021 A 80 ASP H H 1 8.316 0.001 A 80 ASP HA H 1 4.675 0.019 A 80 ASP HB2 H 1 2.718 0.003 A 80 ASP HB3 H 1 2.718 0.003 A 80 ASP CA C 13 54.655 0.068 A 80 ASP CB C 13 41.424 0.000 A 80 ASP N N 15 122.85 0.038 A 81 SER H H 1 8.391 0.001 A 81 SER HA H 1 4.429 0.016 A 81 SER HBy H 1 4.044 0.001 A 81 SER HBx H 1 3.952 0.004 A 81 SER CA C 13 59.337 0.112 A 81 SER CB C 13 63.672 0.009 A 81 SER N N 15 116.864 0.033 A 82 GLU H H 1 8.479 0.003 A 82 GLU HA H 1 4.073 0.014 A 82 GLU HBx H 1 2.111 0.011 A 82 GLU HBy H 1 2.111 0.011 A 82 GLU HG2 H 1 2.346 0.000 A 82 GLU HG3 H 1 2.346 0.000 A 82 GLU CA C 13 59.179 0.06 A 82 GLU CB C 13 29.512 0.065 A 82 GLU CG C 13 36.654 0.000 A 82 GLU N N 15 122.561 0.036 A 83 GLU H H 1 8.279 0.009 A 83 GLU HA H 1 4.044 0.005 A 83 GLU HB2 H 1 2.088 0.01 A 83 GLU HB3 H 1 2.088 0.01 A 83 GLU HG2 H 1 2.336 0.001 A 83 GLU HG3 H 1 2.336 0.001 A 83 GLU CA C 13 59.647 0.091 A 83 GLU CB C 13 29.531 0.007 A 83 GLU CG C 13 36.342 0.000 A 83 GLU N N 15 119.348 0.032 A 84 GLU H H 1 8.062 0.009 A 84 GLU HA H 1 4.113 0.002 A 84 GLU HBx H 1 2.12 0.008 A 84 GLU HBy H 1 2.191 0.003 A 84 GLU HG2 H 1 2.347 0.006 A 84 GLU HG3 H 1 2.347 0.006 A 84 GLU CA C 13 59.477 0.000 A 84 GLU CB C 13 29.669 0.086 A 84 GLU CG C 13 36.537 0.000 A 84 GLU N N 15 118.81 0.046 A 85 ILE H H 1 8.008 0.009 A 85 ILE HA H 1 3.918 0.013 A 85 ILE HB H 1 2.175 0.006 A 85 ILE HD1% H 1 0.773 0.011 A 85 ILE HG1x H 1 0.985 0.017 A 85 ILE HG1y H 1 1.857 0.005 A 85 ILE HG2% H 1 1.117 0.014 A 85 ILE CA C 13 65.327 0.049 A 85 ILE CB C 13 37.428 0.065 A 85 ILE CD1 C 13 13.35 0.068 A 85 ILE CG1 C 13 29.575 0.072 A 85 ILE CG2 C 13 19.136 0.076 A 85 ILE N N 15 122.019 0.013 A 86 ARG H H 1 8.446 0.003 A 86 ARG HA H 1 4.166 0.011 A 86 ARG HBx H 1 1.86 0.007 A 86 ARG HBy H 1 2.073 0.003 A 86 ARG HDx H 1 2.977 0.011 A 86 ARG HDy H 1 2.977 0.011 A 86 ARG HE H 1 7.151 0.002 A 86 ARG HGy H 1 1.687 0.006 A 86 ARG HGx H 1 1.567 0.009 A 86 ARG CA C 13 60.026 0.097 A 86 ARG CB C 13 29.967 0.035 A 86 ARG CD C 13 42.922 0.097 A 86 ARG CG C 13 27.474 0.037 A 86 ARG N N 15 121.851 0.045 A 86 ARG NE N 15 84.236 0.015 A 87 GLU H H 1 8.149 0.005 A 87 GLU HA H 1 4.11 0.005 A 87 GLU HB2 H 1 2.086 0.007 A 87 GLU HB3 H 1 2.086 0.007 A 87 GLU HG2 H 1 2.348 0.001 A 87 GLU HG3 H 1 2.348 0.001 A 87 GLU CA C 13 59.107 0.065 A 87 GLU CB C 13 29.426 0.000 A 87 GLU CG C 13 36.05 0.000 A 87 GLU N N 15 118.621 0.031 A 88 ALA H H 1 7.88 0.005 A 88 ALA HA H 1 4.025 0.007 A 88 ALA HB% H 1 1.694 0.018 A 88 ALA CA C 13 54.986 0.07 A 88 ALA CB C 13 17.724 0.058 A 88 ALA N N 15 121.741 0.032 A 89 PHE H H 1 8.463 0.004 A 89 PHE HA H 1 3.149 0.015 A 89 PHE HB2 H 1 3.039 0.013 A 89 PHE HB3 H 1 3.197 0.021 A 89 PHE HDx H 1 6.615 0.012 A 89 PHE HDy H 1 6.615 0.012 A 89 PHE HEx H 1 7.01 0.008 A 89 PHE HEy H 1 7.01 0.008 A 89 PHE HZ H 1 7.086 0.003 A 89 PHE CA C 13 62.366 0.093 A 89 PHE CB C 13 39.337 0.095 A 89 PHE CDx C 13 131.684 0.051 A 89 PHE CDy C 13 131.684 0.051 A 89 PHE CEx C 13 131.298 0.099 A 89 PHE CEy C 13 131.298 0.099 A 89 PHE CZ C 13 129.216 0.018 A 89 PHE N N 15 118.057 0.041 A 90 ARG H H 1 7.775 0.008 A 90 ARG HA H 1 3.892 0.008 A 90 ARG HB2 H 1 1.927 0.004 A 90 ARG HB3 H 1 1.927 0.004 A 90 ARG HDx H 1 3.218 0.01 A 90 ARG HDy H 1 3.218 0.01 A 90 ARG HE H 1 7.408 0.002 A 90 ARG HG2 H 1 1.674 0.006 A 90 ARG HG3 H 1 1.674 0.006 A 90 ARG CA C 13 58.888 0.049 A 90 ARG CB C 13 30.406 0.000 A 90 ARG CD C 13 43.484 0.083 A 90 ARG CG C 13 27.89 0.000 A 90 ARG N N 15 115.723 0.033 A 90 ARG NE N 15 84.488 0.016 A 91 VAL H H 1 7.484 0.004 A 91 VAL HA H 1 3.524 0.009 A 91 VAL HB H 1 2.144 0.008 A 91 VAL HG1% H 1 0.768 0.012 A 91 VAL HG2% H 1 1.024 0.009 A 91 VAL CA C 13 65.596 0.111 A 91 VAL CB C 13 31.544 0.049 A 91 VAL CG1 C 13 21.103 0.069 A 91 VAL CG2 C 13 22.775 0.038 A 91 VAL N N 15 118.161 0.03 A 92 PHE H H 1 7.544 0.004 A 92 PHE HA H 1 4.278 0.018 A 92 PHE HB2 H 1 2.711 0.009 A 92 PHE HB3 H 1 2.711 0.009 A 92 PHE HDx H 1 7.194 0.017 A 92 PHE HDy H 1 7.194 0.017 A 92 PHE HEx H 1 7.36 0.002 A 92 PHE HEy H 1 7.36 0.002 A 92 PHE HZ H 1 7.282 0.004 A 92 PHE CA C 13 58.681 0.078 A 92 PHE CB C 13 39.854 0.102 A 92 PHE CDx C 13 131.158 0.08 A 92 PHE CDy C 13 131.158 0.08 A 92 PHE CEx C 13 130.812 0.084 A 92 PHE CEy C 13 130.812 0.084 A 92 PHE CZ C 13 129.731 0.000 A 92 PHE N N 15 117.398 0.021 A 93 ASP H H 1 7.963 0.006 A 93 ASP HA H 1 4.541 0.015 A 93 ASP HB2 H 1 1.341 0.013 A 93 ASP HB3 H 1 2.326 0.02 A 93 ASP CA C 13 52.182 0.047 A 93 ASP CB C 13 38.427 0.096 A 93 ASP N N 15 117.503 0.036 A 94 LYS H H 1 7.585 0.004 A 94 LYS HA H 1 3.906 0.004 A 94 LYS HB2 H 1 1.829 0.002 A 94 LYS HB3 H 1 1.829 0.002 A 94 LYS HD2 H 1 1.659 0.008 A 94 LYS HD3 H 1 1.659 0.008 A 94 LYS HE2 H 1 2.832 0.001 A 94 LYS HE3 H 1 2.832 0.001 A 94 LYS HG2 H 1 1.476 0.012 A 94 LYS HG3 H 1 1.476 0.012 A 94 LYS CA C 13 59.062 0.116 A 94 LYS CB C 13 33.033 0.000 A 94 LYS CD C 13 28.244 0.002 A 94 LYS CE C 13 41.41 0.022 A 94 LYS CG C 13 24.371 0.134 A 94 LYS N N 15 125.976 0.025 A 95 ASP H H 1 8.186 0.006 A 95 ASP HA H 1 4.554 0.002 A 95 ASP HBy H 1 3.078 0.0 A 95 ASP HBx H 1 2.647 0.0 A 95 ASP CA C 13 53.066 0.064 A 95 ASP CB C 13 39.749 0.097 A 95 ASP N N 15 114.1 0.031 A 96 GLY H H 1 7.809 0.004 A 96 GLY HA2 H 1 3.827 0.004 A 96 GLY HA3 H 1 3.827 0.004 A 96 GLY CA C 13 47.148 0.021 A 96 GLY N N 15 109.383 0.032 A 97 ASN H H 1 8.336 0.003 A 97 ASN HA H 1 4.646 0.006 A 97 ASN HB2 H 1 3.421 0.005 A 97 ASN HB3 H 1 2.657 0.001 A 97 ASN HD21 H 1 8.07 0.002 A 97 ASN HD22 H 1 7.433 0.003 A 97 ASN CA C 13 52.655 0.043 A 97 ASN CB C 13 38.189 0.069 A 97 ASN N N 15 119.744 0.035 A 97 ASN ND2 N 15 116.756 0.003 A 98 GLY H H 1 10.653 0.003 A 98 GLY HAy H 1 4.071 0.003 A 98 GLY HAx H 1 3.442 0.002 A 98 GLY CA C 13 45.032 0.068 A 98 GLY N N 15 112.937 0.032 A 99 TYR H H 1 7.63 0.002 A 99 TYR HA H 1 5.061 0.013 A 99 TYR HB2 H 1 2.512 0.008 A 99 TYR HB3 H 1 2.518 0.014 A 99 TYR HDx H 1 6.76 0.011 A 99 TYR HDy H 1 6.76 0.011 A 99 TYR HEx H 1 6.932 0.007 A 99 TYR HEy H 1 6.932 0.007 A 99 TYR CA C 13 56.189 0.093 A 99 TYR CB C 13 43.044 0.048 A 99 TYR CDx C 13 133.43 0.047 A 99 TYR CDy C 13 133.43 0.047 A 99 TYR CEx C 13 118.138 0.059 A 99 TYR CEy C 13 118.138 0.059 A 99 TYR N N 15 115.956 0.029 A 100 ILE H H 1 10.174 0.004 A 100 ILE HA H 1 4.784 0.011 A 100 ILE HB H 1 1.957 0.022 A 100 ILE HD1% H 1 0.468 0.015 A 100 ILE HG12 H 1 0.289 0.013 A 100 ILE HG13 H 1 1.344 0.012 A 100 ILE HG2% H 1 1.001 0.011 A 100 ILE CA C 13 61.019 0.057 A 100 ILE CB C 13 38.985 0.112 A 100 ILE CD1 C 13 15.542 0.082 A 100 ILE CG1 C 13 27.05 0.064 A 100 ILE CG2 C 13 17.776 0.054 A 100 ILE N N 15 127.36 0.012 A 101 SER H H 1 8.977 0.004 A 101 SER HA H 1 4.885 0.014 A 101 SER HB2 H 1 4.442 0.003 A 101 SER HB3 H 1 3.999 0.002 A 101 SER HG H 1 5.813 0.002 A 101 SER CA C 13 55.722 0.072 A 101 SER CB C 13 66.631 0.023 A 101 SER N N 15 124.117 0.05 A 102 ALA H H 1 9.261 0.005 A 102 ALA HA H 1 3.924 0.01 A 102 ALA HB% H 1 1.492 0.011 A 102 ALA CA C 13 55.954 0.069 A 102 ALA CB C 13 17.891 0.037 A 102 ALA N N 15 123.057 0.033 A 103 ALA H H 1 8.271 0.004 A 103 ALA HA H 1 4.024 0.016 A 103 ALA HB% H 1 1.422 0.005 A 103 ALA CA C 13 55.219 0.051 A 103 ALA CB C 13 18.315 0.021 A 103 ALA N N 15 118.685 0.032 A 104 GLU H H 1 7.857 0.006 A 104 GLU HA H 1 4.037 0.009 A 104 GLU HB2 H 1 2.533 0.001 A 104 GLU HB3 H 1 2.533 0.001 A 104 GLU HG2 H 1 2.33 0.011 A 104 GLU HG3 H 1 2.527 0.008 A 104 GLU CA C 13 59.25 0.082 A 104 GLU CB C 13 29.216 0.000 A 104 GLU N N 15 119.737 0.039 A 105 LEU H H 1 8.685 0.005 A 105 LEU HA H 1 4.036 0.023 A 105 LEU HB2 H 1 1.475 0.006 A 105 LEU HB3 H 1 1.847 0.011 A 105 LEU HD1% H 1 0.978 0.006 A 105 LEU HD2% H 1 0.756 0.008 A 105 LEU HG H 1 1.442 0.014 A 105 LEU CA C 13 58.052 0.043 A 105 LEU CB C 13 42.114 0.031 A 105 LEU CD1 C 13 23.854 0.047 A 105 LEU CD2 C 13 26.33 0.099 A 105 LEU CG C 13 26.845 0.044 A 105 LEU N N 15 122.037 0.036 A 106 ARG H H 1 8.682 0.009 A 106 ARG HA H 1 3.708 0.009 A 106 ARG HB2 H 1 1.946 0.012 A 106 ARG HB3 H 1 1.946 0.012 A 106 ARG HDx H 1 3.174 0.016 A 106 ARG HDy H 1 3.221 0.024 A 106 ARG HE H 1 7.261 0.005 A 106 ARG HGx H 1 1.589 0.015 A 106 ARG HGy H 1 1.589 0.015 A 106 ARG CA C 13 60.03 0.089 A 106 ARG CB C 13 30.317 0.028 A 106 ARG CD C 13 43.558 0.038 A 106 ARG CG C 13 27.805 0.093 A 106 ARG N N 15 118.484 0.078 A 106 ARG NE N 15 84.606 0.03 A 107 HIS H H 1 7.803 0.005 A 107 HIS HA H 1 4.296 0.006 A 107 HIS HBx H 1 3.241 0.018 A 107 HIS HBy H 1 3.306 0.019 A 107 HIS HD2 H 1 6.923 0.008 A 107 HIS CA C 13 59.842 0.031 A 107 HIS CB C 13 30.576 0.07 A 107 HIS CD2 C 13 120.32 0.112 A 107 HIS N N 15 118.917 0.105 A 108 VAL H H 1 7.887 0.011 A 108 VAL HA H 1 3.458 0.008 A 108 VAL HB H 1 1.94 0.013 A 108 VAL HG1% H 1 0.29 0.016 A 108 VAL HG2% H 1 0.773 0.014 A 108 VAL CA C 13 66.452 0.08 A 108 VAL CB C 13 31.593 0.07 A 108 VAL CG1 C 13 20.636 0.031 A 108 VAL CG2 C 13 23.212 0.056 A 108 VAL N N 15 119.662 0.065 A 109 MET H H 1 8.128 0.006 A 109 MET HA H 1 4.296 0.007 A 109 MET HBx H 1 1.891 0.007 A 109 MET HBy H 1 2.073 0.001 A 109 MET HE% H 1 1.798 0.003 A 109 MET HGy H 1 2.58 0.012 A 109 MET HGx H 1 2.381 0.006 A 109 MET CA C 13 57.062 0.106 A 109 MET CE C 13 16.56 0.022 A 109 MET CG C 13 32.335 0.05 A 109 MET N N 15 115.981 0.056 A 110 THR H H 1 8.302 0.007 A 110 THR HA H 1 4.08 0.008 A 110 THR HB H 1 4.287 0.004 A 110 THR HG2% H 1 1.22 0.005 A 110 THR CA C 13 66.402 0.051 A 110 THR CB C 13 68.574 0.133 A 110 THR CG2 C 13 21.539 0.043 A 110 THR N N 15 116.866 0.026 A 111 ASN H H 1 7.849 0.008 A 111 ASN HA H 1 4.445 0.007 A 111 ASN HBx H 1 2.812 0.012 A 111 ASN HBy H 1 2.818 0.003 A 111 ASN HD21 H 1 7.426 0.004 A 111 ASN HD22 H 1 6.515 0.005 A 111 ASN CA C 13 55.811 0.035 A 111 ASN CB C 13 37.975 0.075 A 111 ASN N N 15 122.811 0.033 A 111 ASN ND2 N 15 111.25 0.026 A 112 LEU H H 1 7.666 0.006 A 112 LEU HA H 1 4.345 0.013 A 112 LEU HBx H 1 1.843 0.006 A 112 LEU HBy H 1 1.846 0.01 A 112 LEU HD1% H 1 0.791 0.009 A 112 LEU HD2% H 1 0.818 0.01 A 112 LEU HG H 1 1.826 0.01 A 112 LEU CA C 13 55.091 0.093 A 112 LEU CB C 13 42.08 0.043 A 112 LEU CD1 C 13 25.911 0.107 A 112 LEU CD2 C 13 22.892 0.071 A 112 LEU CG C 13 26.438 0.064 A 112 LEU N N 15 118.869 0.021 A 113 GLY H H 1 7.818 0.004 A 113 GLY HAx H 1 3.712 0.001 A 113 GLY HAy H 1 4.241 0.004 A 113 GLY CA C 13 45.416 0.013 A 113 GLY N N 15 107.124 0.07 A 114 GLU H H 1 7.895 0.002 A 114 GLU HA H 1 4.427 0.01 A 114 GLU HBy H 1 1.872 0.013 A 114 GLU HBx H 1 1.627 0.015 A 114 GLU HGx H 1 2.013 0.009 A 114 GLU HGy H 1 2.013 0.009 A 114 GLU CA C 13 54.596 0.041 A 114 GLU CB C 13 30.71 0.074 A 114 GLU CG C 13 35.288 0.075 A 114 GLU N N 15 120.113 0.018 A 115 LYS H H 1 8.583 0.003 A 115 LYS HA H 1 4.38 0.006 A 115 LYS HBy H 1 1.736 0.014 A 115 LYS HBx H 1 1.647 0.013 A 115 LYS HD2 H 1 1.645 0.000 A 115 LYS HD3 H 1 1.645 0.000 A 115 LYS HEy H 1 2.959 0.000 A 115 LYS HEx H 1 2.95 0.000 A 115 LYS HG2 H 1 1.337 0.013 A 115 LYS HG3 H 1 1.337 0.013 A 115 LYS CA C 13 55.393 0.083 A 115 LYS CB C 13 32.045 0.05 A 115 LYS CD C 13 29.245 0.001 A 115 LYS CG C 13 24.7 0.018 A 115 LYS N N 15 124.92 0.042 A 116 LEU H H 1 8.082 0.005 A 116 LEU HA H 1 4.767 0.016 A 116 LEU HB2 H 1 1.451 0.011 A 116 LEU HB3 H 1 1.584 0.009 A 116 LEU HD1% H 1 0.701 0.006 A 116 LEU HD2% H 1 0.729 0.012 A 116 LEU HG H 1 1.572 0.004 A 116 LEU CA C 13 54.081 0.05 A 116 LEU CB C 13 44.532 0.097 A 116 LEU CD1 C 13 27.278 0.072 A 116 LEU CD2 C 13 24.373 0.056 A 116 LEU CG C 13 27.641 0.034 A 116 LEU N N 15 124.979 0.042 A 117 THR H H 1 9.172 0.007 A 117 THR HA H 1 4.452 0.009 A 117 THR HB H 1 4.737 0.007 A 117 THR HG2% H 1 1.317 0.013 A 117 THR CA C 13 60.69 0.0 A 117 THR CB C 13 71.051 0.055 A 117 THR CG2 C 13 21.805 0.039 A 117 THR N N 15 114.448 0.033 A 118 ASP H H 1 8.889 0.003 A 118 ASP HA H 1 4.213 0.014 A 118 ASP HB2 H 1 2.569 0.001 A 118 ASP HB3 H 1 2.739 0.008 A 118 ASP CA C 13 57.992 0.07 A 118 ASP CB C 13 39.67 0.04 A 118 ASP N N 15 121.175 0.029 A 119 GLU H H 1 8.665 0.003 A 119 GLU HA H 1 4.088 0.005 A 119 GLU HB2 H 1 2.053 0.0 A 119 GLU HB3 H 1 1.934 0.003 A 119 GLU HGy H 1 2.391 0.000 A 119 GLU HGx H 1 2.337 0.000 A 119 GLU CA C 13 60.013 0.044 A 119 GLU CB C 13 29.172 0.000 A 119 GLU N N 15 119.386 0.036 A 120 GLU H H 1 7.715 0.007 A 120 GLU HA H 1 3.982 0.004 A 120 GLU HB2 H 1 2.4 0.011 A 120 GLU HB3 H 1 1.789 0.013 A 120 GLU HG2 H 1 2.202 0.004 A 120 GLU HG3 H 1 2.202 0.004 A 120 GLU CA C 13 59.252 0.079 A 120 GLU CB C 13 30.76 0.083 A 120 GLU CG C 13 38.149 0.122 A 120 GLU N N 15 120.564 0.038 A 121 VAL H H 1 8.05 0.009 A 121 VAL HA H 1 3.456 0.013 A 121 VAL HB H 1 2.208 0.011 A 121 VAL HG1% H 1 1.02 0.014 A 121 VAL HG2% H 1 0.917 0.014 A 121 VAL CA C 13 66.881 0.065 A 121 VAL CB C 13 31.33 0.078 A 121 VAL CG1 C 13 22.424 0.075 A 121 VAL CG2 C 13 23.747 0.092 A 121 VAL N N 15 120.955 0.051 A 122 ASP H H 1 7.98 0.011 A 122 ASP HA H 1 4.363 0.009 A 122 ASP HB2 H 1 2.785 0.01 A 122 ASP HB3 H 1 2.643 0.003 A 122 ASP CA C 13 57.714 0.082 A 122 ASP CB C 13 40.453 0.04 A 122 ASP N N 15 120.016 0.039 A 123 GLU H H 1 8.033 0.006 A 123 GLU HA H 1 4.045 0.000 A 123 GLU HB2 H 1 2.106 0.005 A 123 GLU HB3 H 1 2.106 0.005 A 123 GLU HG2 H 1 2.355 0.000 A 123 GLU HG3 H 1 2.355 0.000 A 123 GLU CA C 13 59.305 0.019 A 123 GLU CB C 13 29.279 0.000 A 123 GLU N N 15 119.913 0.03 A 124 MET H H 1 7.93 0.009 A 124 MET HA H 1 4.175 0.011 A 124 MET HB2 H 1 2.161 0.008 A 124 MET HE% H 1 0.66 0.011 A 124 MET HG2 H 1 2.469 0.02 A 124 MET CA C 13 60.42 0.045 A 124 MET CB C 13 33.408 0.101 A 124 MET CE C 13 15.7 0.047 A 124 MET CG C 13 33.441 0.009 A 124 MET N N 15 119.642 0.044 A 125 ILE H H 1 8.147 0.004 A 125 ILE HA H 1 3.709 0.012 A 125 ILE HB H 1 2.284 0.012 A 125 ILE HD1% H 1 0.797 0.012 A 125 ILE HG12 H 1 1.662 0.011 A 125 ILE HG13 H 1 1.366 0.013 A 125 ILE HG2% H 1 0.758 0.011 A 125 ILE CA C 13 64.339 0.082 A 125 ILE CB C 13 36.335 0.081 A 125 ILE CD1 C 13 10.848 0.06 A 125 ILE CG1 C 13 28.441 0.096 A 125 ILE CG2 C 13 16.327 0.053 A 125 ILE N N 15 119.663 0.038 A 126 ARG H H 1 8.431 0.005 A 126 ARG HA H 1 4.072 0.004 A 126 ARG HBy H 1 1.951 0.007 A 126 ARG HBx H 1 1.95 0.006 A 126 ARG HD2 H 1 3.233 0.003 A 126 ARG HD3 H 1 3.233 0.003 A 126 ARG HE H 1 7.562 0.003 A 126 ARG HGy H 1 1.838 0.012 A 126 ARG HGx H 1 1.671 0.005 A 126 ARG CA C 13 59.828 0.112 A 126 ARG CB C 13 30.331 0.000 A 126 ARG CD C 13 43.466 0.097 A 126 ARG CG C 13 27.871 0.000 A 126 ARG N N 15 118.998 0.062 A 126 ARG NE N 15 84.602 0.005 A 127 GLU H H 1 7.899 0.003 A 127 GLU HA H 1 3.984 0.002 A 127 GLU HBx H 1 2.116 0.006 A 127 GLU HBy H 1 2.338 0.019 A 127 GLU HGy H 1 2.632 0.011 A 127 GLU HGx H 1 2.426 0.004 A 127 GLU CA C 13 58.805 0.076 A 127 GLU CB C 13 29.806 0.13 A 127 GLU CG C 13 35.989 0.159 A 127 GLU N N 15 116.058 0.059 A 128 ALA H H 1 7.222 0.003 A 128 ALA HA H 1 4.453 0.004 A 128 ALA HB% H 1 1.208 0.011 A 128 ALA CA C 13 51.72 0.063 A 128 ALA CB C 13 22.386 0.07 A 128 ALA N N 15 117.702 0.034 A 129 ASP H H 1 7.947 0.004 A 129 ASP HA H 1 4.497 0.005 A 129 ASP HBy H 1 2.836 0.01 A 129 ASP HBx H 1 2.564 0.007 A 129 ASP CA C 13 54.336 0.141 A 129 ASP CB C 13 40.682 0.112 A 129 ASP N N 15 117.996 0.031 A 130 ILE H H 1 8.399 0.005 A 130 ILE HA H 1 3.908 0.005 A 130 ILE HB H 1 1.965 0.011 A 130 ILE HD1% H 1 0.878 0.015 A 130 ILE HG12 H 1 1.251 0.016 A 130 ILE HG13 H 1 1.668 0.011 A 130 ILE HG2% H 1 0.918 0.015 A 130 ILE CA C 13 63.433 0.039 A 130 ILE CB C 13 38.738 0.048 A 130 ILE CD1 C 13 12.55 0.116 A 130 ILE CG1 C 13 27.832 0.079 A 130 ILE CG2 C 13 17.26 0.095 A 130 ILE N N 15 128.199 0.047 A 131 ASP H H 1 8.258 0.004 A 131 ASP HA H 1 4.513 0.004 A 131 ASP HBy H 1 3.072 0.004 A 131 ASP HBx H 1 2.628 0.002 A 131 ASP CA C 13 53.828 0.06 A 131 ASP CB C 13 39.989 0.000 A 131 ASP N N 15 116.628 0.04 A 132 GLY H H 1 7.559 0.005 A 132 GLY HA2 H 1 3.808 0.004 A 132 GLY HA3 H 1 3.984 0.022 A 132 GLY CA C 13 47.527 0.022 A 132 GLY N N 15 108.616 0.026 A 133 ASP H H 1 8.34 0.001 A 133 ASP HA H 1 4.478 0.001 A 133 ASP HB2 H 1 2.497 0.008 A 133 ASP HB3 H 1 2.946 0.012 A 133 ASP CA C 13 53.653 0.009 A 133 ASP CB C 13 40.271 0.000 A 133 ASP N N 15 120.901 0.031 A 134 GLY H H 1 10.366 0.003 A 134 GLY HA2 H 1 3.436 0.019 A 134 GLY HA3 H 1 4.038 0.009 A 134 GLY CA C 13 45.868 0.11 A 134 GLY N N 15 112.918 0.036 A 135 GLN H H 1 8.012 0.002 A 135 GLN HA H 1 4.917 0.012 A 135 GLN HB2 H 1 1.758 0.012 A 135 GLN HB3 H 1 2.024 0.026 A 135 GLN HE21 H 1 6.452 0.001 A 135 GLN HE22 H 1 5.885 0.003 A 135 GLN HG2 H 1 1.989 0.012 A 135 GLN HG3 H 1 1.989 0.012 A 135 GLN CA C 13 53.227 0.041 A 135 GLN CB C 13 32.342 0.061 A 135 GLN CG C 13 32.948 0.093 A 135 GLN N N 15 115.297 0.037 A 135 GLN NE2 N 15 108.814 0.02 A 136 VAL H H 1 9.133 0.003 A 136 VAL HA H 1 5.218 0.016 A 136 VAL HB H 1 2.454 0.005 A 136 VAL HG1% H 1 1.297 0.016 A 136 VAL HG2% H 1 1.11 0.013 A 136 VAL CA C 13 61.663 0.07 A 136 VAL CB C 13 33.758 0.077 A 136 VAL CG1 C 13 22.02 0.053 A 136 VAL CG2 C 13 22.622 0.06 A 136 VAL N N 15 125.463 0.029 A 137 ASN H H 1 9.634 0.004 A 137 ASN HA H 1 5.299 0.01 A 137 ASN HB2 H 1 3.263 0.004 A 137 ASN HB3 H 1 3.263 0.004 A 137 ASN HD21 H 1 7.182 0.007 A 137 ASN HD22 H 1 6.792 0.007 A 137 ASN CA C 13 51.026 0.068 A 137 ASN CB C 13 38.285 0.034 A 137 ASN N N 15 129.402 0.048 A 137 ASN ND2 N 15 108.272 0.029 A 138 TYR H H 1 8.4 0.004 A 138 TYR HA H 1 3.342 0.017 A 138 TYR HBy H 1 2.353 0.021 A 138 TYR HBx H 1 2.078 0.021 A 138 TYR HDx H 1 6.298 0.01 A 138 TYR HDy H 1 6.298 0.01 A 138 TYR HEx H 1 6.514 0.008 A 138 TYR HEy H 1 6.514 0.008 A 138 TYR CA C 13 62.517 0.097 A 138 TYR CB C 13 37.696 0.101 A 138 TYR CDx C 13 132.419 0.073 A 138 TYR CDy C 13 132.419 0.073 A 138 TYR CEx C 13 117.923 0.032 A 138 TYR CEy C 13 117.923 0.032 A 138 TYR N N 15 118.585 0.024 A 139 GLU H H 1 8.095 0.004 A 139 GLU HA H 1 3.618 0.008 A 139 GLU HBx H 1 1.931 0.006 A 139 GLU HBy H 1 2.062 0.002 A 139 GLU HG2 H 1 2.351 0.000 A 139 GLU HG3 H 1 2.351 0.000 A 139 GLU CA C 13 60.314 0.044 A 139 GLU CB C 13 29 0.000 A 139 GLU CG C 13 37.038 0.000 A 139 GLU N N 15 118.692 0.031 A 140 GLU H H 1 8.759 0.008 A 140 GLU HA H 1 3.905 0.005 A 140 GLU HB2 H 1 2.533 0.012 A 140 GLU HB3 H 1 2.168 0.015 A 140 GLU HG2 H 1 2.389 0.004 A 140 GLU HG3 H 1 2.832 0.004 A 140 GLU CA C 13 58.532 0.022 A 140 GLU CB C 13 29.707 0.061 A 140 GLU CG C 13 37.217 0.000 A 140 GLU N N 15 119.98 0.026 A 141 PHE H H 1 8.639 0.005 A 141 PHE HA H 1 3.731 0.014 A 141 PHE HB2 H 1 3.191 0.027 A 141 PHE HB3 H 1 3.366 0.014 A 141 PHE HDx H 1 7.016 0.008 A 141 PHE HDy H 1 7.016 0.008 A 141 PHE HEx H 1 7.188 0.017 A 141 PHE HEy H 1 7.188 0.017 A 141 PHE HZ H 1 7.479 0.009 A 141 PHE CA C 13 61.983 0.06 A 141 PHE CB C 13 40.173 0.095 A 141 PHE CDx C 13 131.63 0.126 A 141 PHE CDy C 13 131.63 0.126 A 141 PHE CEx C 13 129.77 0.000 A 141 PHE CEy C 13 129.77 0.000 A 141 PHE CZ C 13 131.597 0.000 A 141 PHE N N 15 123.408 0.058 A 142 VAL H H 1 8.781 0.005 A 142 VAL HA H 1 3.044 0.015 A 142 VAL HB H 1 1.806 0.01 A 142 VAL HG1% H 1 0.717 0.01 A 142 VAL HG2% H 1 0.452 0.011 A 142 VAL CA C 13 67.118 0.048 A 142 VAL CB C 13 31.515 0.06 A 142 VAL CG1 C 13 21.36 0.05 A 142 VAL CG2 C 13 23.214 0.034 A 142 VAL N N 15 119.839 0.035 A 143 GLN H H 1 7.491 0.005 A 143 GLN HA H 1 3.802 0.012 A 143 GLN HB2 H 1 1.983 0.000 A 143 GLN HB3 H 1 1.983 0.000 A 143 GLN HE21 H 1 7.529 0.000 A 143 GLN HE22 H 1 6.835 0.000 A 143 GLN HG2 H 1 2.337 0.001 A 143 GLN HG3 H 1 2.337 0.001 A 143 GLN CA C 13 58.817 0.082 A 143 GLN CB C 13 28.175 0.000 A 143 GLN CG C 13 34.013 0.000 A 143 GLN N N 15 118.24 0.053 A 143 GLN NE2 N 15 112.526 0.001 A 144 MET H H 1 7.176 0.005 A 144 MET HA H 1 4.145 0.011 A 144 MET HBy H 1 1.424 0.01 A 144 MET HBx H 1 1.129 0.003 A 144 MET HE% H 1 1.292 0.011 A 144 MET CA C 13 55.939 0.055 A 144 MET CB C 13 31.345 0.035 A 144 MET CE C 13 16.798 0.077 A 144 MET N N 15 116.028 0.042 A 145 MET H H 1 7.831 0.005 A 145 MET HA H 1 4.301 0.015 A 145 MET HE% H 1 1.889 0.005 A 145 MET CA C 13 55.416 0.095 A 145 MET CB C 13 32.831 0.000 A 145 MET CE C 13 18.246 0.056 A 145 MET N N 15 116.272 0.038 A 146 THR H H 1 7.474 0.003 A 146 THR HA H 1 4.308 0.013 A 146 THR HB H 1 4.206 0.011 A 146 THR HG2% H 1 1.133 0.011 A 146 THR CA C 13 61.942 0.061 A 146 THR CB C 13 70.244 0.109 A 146 THR CG2 C 13 21.291 0.085 A 146 THR N N 15 110.389 0.05 A 147 ALA H H 1 7.622 0.007 A 147 ALA HA H 1 4.208 0.007 A 147 ALA HB% H 1 1.364 0.01 A 147 ALA CA C 13 52.998 0.06 A 147 ALA CB C 13 19.116 0.019 A 147 ALA N N 15 126.864 0.024 A 148 LYS H H 1 7.785 0.004 A 148 LYS HA H 1 4.131 0.01 A 148 LYS HBy H 1 1.777 0.000 A 148 LYS HBx H 1 1.625 0.000 A 148 LYS HD2 H 1 1.639 0.005 A 148 LYS HD3 H 1 1.639 0.005 A 148 LYS HE2 H 1 2.979 0.000 A 148 LYS HE3 H 1 2.979 0.000 A 148 LYS HG2 H 1 1.37 0.019 A 148 LYS HG3 H 1 1.37 0.019 A 148 LYS CA C 13 57.308 0.059 A 148 LYS CB C 13 33.853 0.000 A 148 LYS CD C 13 28.912 0.059 A 148 LYS CE C 13 42.089 0.075 A 148 LYS CG C 13 24.72 0.039 A 148 LYS N N 15 125.254 0.039 M 8 LEU HA H 1 4.455 0.009 M 8 LEU HB2 H 1 1.666 0.015 M 8 LEU HB3 H 1 1.666 0.015 M 8 LEU HDx% H 1 0.906 0.000 M 8 LEU HDy% H 1 0.894 0.008 M 8 LEU HG H 1 1.667 0.002 M 8 LEU C C 13 177.494 0.000 M 8 LEU CA C 13 55.53 0.12 M 8 LEU CB C 13 42.29 0.035 M 8 LEU CDy C 13 25.044 0.164 M 8 LEU CDx C 13 23.571 0.071 M 8 LEU CG C 13 27.02 0.044 M 9 SER H H 1 8.499 0.003 M 9 SER HA H 1 4.464 0.009 M 9 SER HB2 H 1 3.874 0.004 M 9 SER HB3 H 1 3.874 0.004 M 9 SER C C 13 175.137 0.000 M 9 SER CA C 13 58.54 0.105 M 9 SER CB C 13 63.933 0.074 M 9 SER N N 15 116.499 0.06 M 10 GLY H H 1 8.5 0.002 M 10 GLY HA2 H 1 3.997 0.003 M 10 GLY HA3 H 1 3.997 0.003 M 10 GLY C C 13 174.792 0.000 M 10 GLY CA C 13 45.64 0.015 M 10 GLY N N 15 111.203 0.044 M 11 GLY H H 1 8.289 0.003 M 11 GLY HA2 H 1 3.97 0.005 M 11 GLY HA3 H 1 3.97 0.005 M 11 GLY C C 13 174.286 0.000 M 11 GLY CA C 13 45.417 0.036 M 11 GLY N N 15 108.954 0.038 M 12 GLU H H 1 8.42 0.001 M 12 GLU HA H 1 4.29 0.008 M 12 GLU HBx H 1 1.934 0.005 M 12 GLU HBy H 1 2.059 0.002 M 12 GLU HG2 H 1 2.276 0.006 M 12 GLU HG3 H 1 2.276 0.006 M 12 GLU C C 13 176.539 0.000 M 12 GLU CA C 13 56.839 0.039 M 12 GLU CB C 13 30.131 0.016 M 12 GLU N N 15 120.403 0.023 M 13 LEU H H 1 8.241 0.004 M 13 LEU HA H 1 4.349 0.013 M 13 LEU HBy H 1 1.651 0.007 M 13 LEU HBx H 1 1.574 0.005 M 13 LEU HDx% H 1 0.856 0.008 M 13 LEU HDy% H 1 0.889 0.012 M 13 LEU HG H 1 1.645 0.005 M 13 LEU C C 13 176.899 0.000 M 13 LEU CA C 13 55.325 0.042 M 13 LEU CB C 13 42.277 0.065 M 13 LEU CDx C 13 23.264 0.024 M 13 LEU CDy C 13 25.325 0.023 M 13 LEU CG C 13 27.073 0.012 M 13 LEU N N 15 122.306 0.013 M 14 ASP H H 1 8.352 0.005 M 14 ASP HA H 1 4.697 0.018 M 14 ASP HB2 H 1 2.814 0.009 M 14 ASP HB3 H 1 2.814 0.009 M 14 ASP C C 13 177.374 0.000 M 14 ASP CA C 13 53.912 0.082 M 14 ASP CB C 13 41.441 0.125 M 14 ASP N N 15 121.486 0.04 M 15 LYS H H 1 8.977 0.013 M 15 LYS HA H 1 3.94 0.019 M 15 LYS HBy H 1 1.789 0.013 M 15 LYS HBx H 1 1.782 0.01 M 15 LYS HD2 H 1 1.646 0.005 M 15 LYS HD3 H 1 1.646 0.005 M 15 LYS HEx H 1 2.942 0.005 M 15 LYS HEy H 1 2.942 0.005 M 15 LYS HG2 H 1 1.514 0.005 M 15 LYS HG3 H 1 1.514 0.005 M 15 LYS C C 13 178.417 0.000 M 15 LYS CA C 13 59.074 0.091 M 15 LYS CB C 13 32.208 0.04 M 15 LYS CE C 13 41.737 0.032 M 15 LYS N N 15 123.048 0.05 M 16 TRP H H 1 8.343 0.011 M 16 TRP HA H 1 4.142 0.013 M 16 TRP HBy H 1 3.259 0.017 M 16 TRP HBx H 1 3.223 0.009 M 16 TRP HD1 H 1 7.541 0.01 M 16 TRP HE1 H 1 10.421 0.005 M 16 TRP HE3 H 1 7.371 0.009 M 16 TRP HH2 H 1 6.909 0.009 M 16 TRP HZ2 H 1 7.119 0.006 M 16 TRP HZ3 H 1 6.845 0.011 M 16 TRP C C 13 178.478 0.000 M 16 TRP CA C 13 60.308 0.069 M 16 TRP CB C 13 28.531 0.044 M 16 TRP CD1 C 13 127.357 0.058 M 16 TRP CE3 C 13 120.905 0.084 M 16 TRP CH2 C 13 122.675 0.043 M 16 TRP CZ2 C 13 113.66 0.067 M 16 TRP CZ3 C 13 121.002 0.142 M 16 TRP N N 15 117.761 0.048 M 16 TRP NE1 N 15 129.12 0.013 M 17 GLU H H 1 7.894 0.002 M 17 GLU HA H 1 4.077 0.008 M 17 GLU HBx H 1 2.095 0.005 M 17 GLU HBy H 1 2.181 0.011 M 17 GLU HGy H 1 2.363 0.011 M 17 GLU HGx H 1 2.351 0.006 M 17 GLU C C 13 177.941 0.000 M 17 GLU CA C 13 59.061 0.091 M 17 GLU CB C 13 29.631 0.097 M 17 GLU CG C 13 35.747 0.014 M 17 GLU N N 15 120.308 0.034 M 18 LYS H H 1 7.67 0.006 M 18 LYS HA H 1 3.996 0.015 M 18 LYS HB2 H 1 1.812 0.01 M 18 LYS HB3 H 1 1.812 0.01 M 18 LYS HD2 H 1 1.601 0.007 M 18 LYS HD3 H 1 1.601 0.007 M 18 LYS HE2 H 1 2.944 0.007 M 18 LYS HE3 H 1 2.944 0.007 M 18 LYS HG2 H 1 1.497 0.013 M 18 LYS HG3 H 1 1.497 0.013 M 18 LYS C C 13 177.809 0.000 M 18 LYS CA C 13 58.595 0.046 M 18 LYS CB C 13 32.484 0.076 M 18 LYS CE C 13 41.799 0.034 M 18 LYS CG C 13 25.306 0.000 M 18 LYS N N 15 115.545 0.04 M 19 ILE H H 1 7.22 0.004 M 19 ILE HA H 1 4.015 0.012 M 19 ILE HB H 1 2.187 0.014 M 19 ILE HD1% H 1 0.568 0.013 M 19 ILE HG1x H 1 1.039 0.008 M 19 ILE HG1y H 1 1.519 0.014 M 19 ILE HG2% H 1 1.121 0.015 M 19 ILE C C 13 176.854 0.000 M 19 ILE CA C 13 62.38 0.111 M 19 ILE CB C 13 38.287 0.064 M 19 ILE CD1 C 13 13.585 0.064 M 19 ILE CG1 C 13 28.24 0.039 M 19 ILE CG2 C 13 18.637 0.05 M 19 ILE N N 15 115.037 0.045 M 20 ARG H H 1 7.829 0.004 M 20 ARG HA H 1 4.161 0.02 M 20 ARG HB2 H 1 1.894 0.011 M 20 ARG HB3 H 1 1.894 0.011 M 20 ARG HDx H 1 3.231 0.009 M 20 ARG HDy H 1 3.231 0.009 M 20 ARG HE H 1 7.344 0.005 M 20 ARG HGx H 1 1.761 0.002 M 20 ARG HGy H 1 1.833 0.032 M 20 ARG C C 13 177.19 0.000 M 20 ARG CA C 13 58.887 0.081 M 20 ARG CB C 13 30.878 0.056 M 20 ARG CD C 13 43.499 0.071 M 20 ARG CG C 13 28.73 0.056 M 20 ARG CZ C 13 159.682 0.000 M 20 ARG N N 15 120.262 0.035 M 20 ARG NE N 15 84.236 0.02 M 21 LEU H H 1 7.833 0.002 M 21 LEU HA H 1 4.334 0.006 M 21 LEU HBy H 1 1.741 0.017 M 21 LEU HBx H 1 1.623 0.008 M 21 LEU HDx% H 1 0.865 0.006 M 21 LEU HDy% H 1 0.905 0.012 M 21 LEU HG H 1 1.795 0.015 M 21 LEU C C 13 176.718 0.000 M 21 LEU CA C 13 55.134 0.046 M 21 LEU CB C 13 42.228 0.000 M 21 LEU CDx C 13 23.203 0.052 M 21 LEU CDy C 13 25.593 0.087 M 21 LEU CG C 13 26.997 0.029 M 21 LEU N N 15 118.504 0.057 M 22 ARG H H 1 7.728 0.005 M 22 ARG HA H 1 4.615 0.021 M 22 ARG HB2 H 1 1.864 0.009 M 22 ARG HB3 H 1 1.864 0.009 M 22 ARG HD2 H 1 3.209 0.018 M 22 ARG HD3 H 1 3.209 0.018 M 22 ARG HE H 1 7.45 0.005 M 22 ARG HGx H 1 1.649 0.017 M 22 ARG HGy H 1 1.649 0.017 M 22 ARG CA C 13 54.074 0.12 M 22 ARG CB C 13 29.869 0.000 M 22 ARG CD C 13 43.407 0.059 M 22 ARG CG C 13 26.938 0.058 M 22 ARG N N 15 120.658 0.054 M 22 ARG NE N 15 85.018 0.015 M 23 PRO HA H 1 4.441 0.006 M 23 PRO HBy H 1 2.271 0.012 M 23 PRO HBx H 1 1.95 0.01 M 23 PRO HDy H 1 3.78 0.017 M 23 PRO HDx H 1 3.627 0.016 M 23 PRO HGx H 1 1.976 0.018 M 23 PRO HGy H 1 2.07 0.002 M 23 PRO C C 13 177.661 0.000 M 23 PRO CA C 13 63.755 0.083 M 23 PRO CB C 13 31.865 0.061 M 23 PRO CD C 13 50.438 0.041 M 23 PRO CG C 13 27.515 0.054 M 24 GLY H H 1 8.548 0.003 M 24 GLY HA2 H 1 3.972 0.003 M 24 GLY HA3 H 1 3.972 0.003 M 24 GLY C C 13 174.796 0.000 M 24 GLY CA C 13 45.501 0.011 M 24 GLY N N 15 109.359 0.043 M 25 GLY H H 1 8.317 0.005 M 25 GLY HA2 H 1 3.956 0.003 M 25 GLY HA3 H 1 3.956 0.003 M 25 GLY C C 13 173.988 0.000 M 25 GLY CA C 13 45.437 0.059 M 25 GLY N N 15 108.546 0.03 M 26 LYS H H 1 8.142 0.006 M 26 LYS HA H 1 4.316 0.011 M 26 LYS HBy H 1 1.803 0.009 M 26 LYS HBx H 1 1.718 0.012 M 26 LYS HE2 H 1 2.971 0.000 M 26 LYS HE3 H 1 2.971 0.000 M 26 LYS HGx H 1 1.386 0.013 M 26 LYS HGy H 1 1.386 0.013 M 26 LYS C C 13 176.484 0.000 M 26 LYS CA C 13 56.1 0.083 M 26 LYS CB C 13 33.062 0.035 M 26 LYS CD C 13 29.043 0.000 M 26 LYS CG C 13 24.718 0.063 M 26 LYS N N 15 120.526 0.035 M 27 LYS H H 1 8.313 0.004 M 27 LYS HA H 1 4.186 0.012 M 27 LYS HB2 H 1 1.619 0.014 M 27 LYS HB3 H 1 1.619 0.014 M 27 LYS HE2 H 1 2.944 0.003 M 27 LYS HE3 H 1 2.944 0.003 M 27 LYS HGy H 1 1.348 0.002 M 27 LYS HGx H 1 1.287 0.007 M 27 LYS C C 13 175.92 0.000 M 27 LYS CA C 13 56.333 0.071 M 27 LYS CB C 13 32.899 0.032 M 27 LYS CD C 13 29.071 0.000 M 27 LYS CE C 13 42.11 0.015 M 27 LYS CG C 13 24.788 0.106 M 27 LYS N N 15 122.018 0.036 M 28 GLN H H 1 8.247 0.004 M 28 GLN HA H 1 4.297 0.009 M 28 GLN HBy H 1 1.958 0.007 M 28 GLN HBx H 1 1.881 0.002 M 28 GLN HE21 H 1 7.561 0.006 M 28 GLN HE22 H 1 6.895 0.002 M 28 GLN HG2 H 1 2.262 0.005 M 28 GLN HG3 H 1 2.262 0.005 M 28 GLN C C 13 175.617 0.000 M 28 GLN CA C 13 55.345 0.031 M 28 GLN CB C 13 30.164 0.000 M 28 GLN CG C 13 33.76 0.036 M 28 GLN N N 15 120.78 0.027 M 28 GLN NE2 N 15 112.46 0.027 M 29 TYR H H 1 8.449 0.003 M 29 TYR HA H 1 4.566 0.017 M 29 TYR HBy H 1 2.978 0.017 M 29 TYR HBx H 1 2.773 0.008 M 29 TYR HDx H 1 7.017 0.011 M 29 TYR HDy H 1 7.017 0.011 M 29 TYR HEx H 1 6.781 0.009 M 29 TYR HEy H 1 6.781 0.009 M 29 TYR CA C 13 57.599 0.075 M 29 TYR CB C 13 38.776 0.132 M 29 TYR CDx C 13 133.165 0.062 M 29 TYR CDy C 13 133.165 0.062 M 29 TYR CEx C 13 118.154 0.053 M 29 TYR CEy C 13 118.154 0.053 M 29 TYR N N 15 120.841 0.037 M 30 LYS HE2 H 1 2.941 0.004 M 30 LYS HE3 H 1 2.941 0.004 M 30 LYS CE C 13 41.809 0.022 M 31 LEU HA H 1 3.987 0.01 M 31 LEU HBy H 1 1.712 0.014 M 31 LEU HBx H 1 1.316 0.007 M 31 LEU HD1% H 1 0.746 0.018 M 31 LEU HD2% H 1 0.682 0.011 M 31 LEU HG H 1 1.365 0.021 M 31 LEU CA C 13 57.73 0.074 M 31 LEU CB C 13 41.428 0.054 M 31 LEU CD1 C 13 25.226 0.062 M 31 LEU CD2 C 13 25.877 0.059 M 31 LEU CG C 13 27.674 0.078 M 32 LYS HEx H 1 2.873 0.012 M 32 LYS HEy H 1 2.873 0.012 M 32 LYS C C 13 177.106 0.000 M 32 LYS CE C 13 42.094 0.051 M 33 HIS H H 1 7.307 0.011 M 33 HIS HA H 1 4.488 0.013 M 33 HIS HB2 H 1 3.351 0.01 M 33 HIS HB3 H 1 3.351 0.01 M 33 HIS HD2 H 1 7.068 0.024 M 33 HIS C C 13 178.124 0.000 M 33 HIS CA C 13 58.819 0.017 M 33 HIS CB C 13 29.677 0.054 M 33 HIS CD2 C 13 119.584 0.108 M 33 HIS N N 15 115.348 0.064 M 34 ILE H H 1 7.603 0.007 M 34 ILE HA H 1 3.929 0.016 M 34 ILE HB H 1 2.385 0.022 M 34 ILE HD1% H 1 0.835 0.014 M 34 ILE HG1y H 1 1.773 0.003 M 34 ILE HG1x H 1 1.531 0.012 M 34 ILE HG2% H 1 1.017 0.012 M 34 ILE C C 13 178.169 0.000 M 34 ILE CA C 13 62.101 0.093 M 34 ILE CB C 13 35.978 0.077 M 34 ILE CD1 C 13 10.632 0.058 M 34 ILE CG1 C 13 28.045 0.083 M 34 ILE CG2 C 13 17.747 0.044 M 34 ILE N N 15 120.151 0.043 M 35 VAL H H 1 8.264 0.004 M 35 VAL HA H 1 3.815 0.013 M 35 VAL HB H 1 2.103 0.014 M 35 VAL HG1% H 1 0.995 0.012 M 35 VAL HG2% H 1 0.854 0.01 M 35 VAL C C 13 179.497 0.000 M 35 VAL CA C 13 66.961 0.057 M 35 VAL CB C 13 31.204 0.056 M 35 VAL CG1 C 13 21.462 0.051 M 35 VAL CG2 C 13 22.715 0.092 M 35 VAL N N 15 121.813 0.04 M 36 TRP H H 1 8.06 0.004 M 36 TRP HA H 1 4.601 0.011 M 36 TRP HBx H 1 3.403 0.01 M 36 TRP HBy H 1 3.403 0.01 M 36 TRP HD1 H 1 7.222 0.008 M 36 TRP HE1 H 1 10.118 0.002 M 36 TRP HE3 H 1 7.584 0.016 M 36 TRP HH2 H 1 7.22 0.01 M 36 TRP HZ2 H 1 7.488 0.009 M 36 TRP HZ3 H 1 7.016 0.000 M 36 TRP C C 13 178.815 0.000 M 36 TRP CA C 13 59.716 0.061 M 36 TRP CB C 13 29 0.029 M 36 TRP CD1 C 13 125.885 0.036 M 36 TRP CE3 C 13 120.646 0.047 M 36 TRP CH2 C 13 124.64 0.077 M 36 TRP CZ2 C 13 114.491 0.018 M 36 TRP CZ3 C 13 121.579 0.000 M 36 TRP N N 15 120.26 0.038 M 36 TRP NE1 N 15 128.605 0.026 M 37 ALA H H 1 8.264 0.003 M 37 ALA HA H 1 4.162 0.015 M 37 ALA HB% H 1 1.566 0.014 M 37 ALA C C 13 179.736 0.000 M 37 ALA CA C 13 54.588 0.063 M 37 ALA CB C 13 18.658 0.058 M 37 ALA N N 15 121.666 0.083 M 38 SER H H 1 8.393 0.005 M 38 SER HA H 1 4.111 0.01 M 38 SER HBx H 1 3.947 0.02 M 38 SER HBy H 1 3.947 0.02 M 38 SER C C 13 175.134 0.000 M 38 SER CA C 13 61.128 0.104 M 38 SER CB C 13 63.027 0.129 M 38 SER N N 15 113.223 0.036 M 39 ARG H H 1 7.555 0.006 M 39 ARG HA H 1 4.247 0.015 M 39 ARG HBx H 1 1.985 0.01 M 39 ARG HBy H 1 1.99 0.005 M 39 ARG HDx H 1 3.167 0.02 M 39 ARG HDy H 1 3.172 0.017 M 39 ARG HE H 1 7.432 0.004 M 39 ARG HGx H 1 1.847 0.015 M 39 ARG HGy H 1 1.847 0.015 M 39 ARG C C 13 177.193 0.000 M 39 ARG CA C 13 57.451 0.081 M 39 ARG CB C 13 29.775 0.033 M 39 ARG CD C 13 43.145 0.124 M 39 ARG CG C 13 26.808 0.068 M 39 ARG CZ C 13 159.806 0.000 M 39 ARG N N 15 121.198 0.04 M 39 ARG NE N 15 84.448 0.044 M 40 GLU H H 1 7.753 0.006 M 40 GLU HA H 1 4.27 0.009 M 40 GLU HB2 H 1 1.93 0.008 M 40 GLU HB3 H 1 1.93 0.008 M 40 GLU HGy H 1 2.241 0.000 M 40 GLU HGx H 1 2.159 0.000 M 40 GLU C C 13 176.886 0.000 M 40 GLU CA C 13 56.712 0.074 M 40 GLU CB C 13 29.874 0.0 M 40 GLU N N 15 117.419 0.069 M 41 LEU H H 1 7.601 0.003 M 41 LEU HA H 1 4.271 0.013 M 41 LEU HBy H 1 1.785 0.011 M 41 LEU HBx H 1 1.591 0.004 M 41 LEU HD1% H 1 0.88 0.004 M 41 LEU HD2% H 1 0.839 0.003 M 41 LEU HG H 1 1.64 0.000 M 41 LEU C C 13 177.298 0.000 M 41 LEU CA C 13 55.329 0.151 M 41 LEU CB C 13 42.253 0.081 M 41 LEU CD1 C 13 25.342 0.052 M 41 LEU CD2 C 13 23.284 0.035 M 41 LEU CG C 13 27.061 0.059 M 41 LEU N N 15 120.103 0.023 M 42 GLU H H 1 8.105 0.009 M 42 GLU HA H 1 4.277 0.014 M 42 GLU HBx H 1 1.944 0.005 M 42 GLU HBy H 1 2.087 0.004 M 42 GLU HG2 H 1 2.283 0.008 M 42 GLU HG3 H 1 2.283 0.008 M 42 GLU C C 13 175.424 0.000 M 42 GLU CA C 13 56.579 0.066 M 42 GLU CB C 13 30.043 0.13 M 42 GLU CG C 13 35.965 0.000 M 42 GLU N N 15 120.987 0.036 M 43 ARG H H 1 7.851 0.004 M 43 ARG HA H 1 4.161 0.012 M 43 ARG HBx H 1 1.72 0.008 M 43 ARG HBy H 1 1.85 0.01 M 43 ARG HDx H 1 3.182 0.012 M 43 ARG HDy H 1 3.182 0.013 M 43 ARG HE H 1 7.198 0.004 M 43 ARG HG2 H 1 1.606 0.014 M 43 ARG HG3 H 1 1.606 0.014 M 43 ARG CA C 13 57.35 0.054 M 43 ARG CB C 13 31.429 0.017 M 43 ARG CD C 13 43.426 0.065 M 43 ARG CG C 13 27.177 0.027 M 43 ARG CZ C 13 159.574 0.000 M 43 ARG N N 15 127.249 0.084 M 43 ARG NE N 15 85.334 0.042 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 M 15 LYS H M 16 TRP H 1.0 . 2.9 2 2 M 16 TRP H M 17 GLU H 1.0 . 2.9 3 3 M 17 GLU H M 18 LYS H 1.0 . 2.9 4 4 M 18 LYS H M 19 ILE H 1.0 . 2.9 5 5 M 19 ILE H M 20 ARG H 1.0 . 2.9 6 6 M 15 LYS H M 17 GLU H 1.0 . 5.0 7 7 M 16 TRP H M 18 LYS H 1.0 . 5.0 8 8 M 17 GLU H M 19 ILE H 1.0 . 5.0 9 9 M 16 TRP H M 14 ASP HA 1.0 . 5.0 10 10 M 17 GLU H M 15 LYS HA 1.0 . 5.0 11 11 M 19 ILE H M 16 TRP HA 1.0 . 4.0 12 12 M 16 TRP HA M 19 ILE HB 1.0 . 5.0 13 13 M 17 GLU HA M 20 ARG HB2 1.0 . 3.3 14 13 M 20 ARG HB3 M 17 GLU HA 1.0 . 3.3 15 14 M 18 LYS H M 15 LYS O 1.0 . 2.0 16 15 M 15 LYS O M 18 LYS N 1.0 . 3.0 17 16 M 19 ILE H M 16 TRP O 1.0 . 2.0 18 17 M 16 TRP O M 19 ILE N 1.0 . 3.0 19 18 M 35 VAL H M 34 ILE H 1.0 . 3.3 20 19 M 35 VAL H M 36 TRP H 1.0 . 2.9 21 20 M 36 TRP H M 37 ALA H 1.0 . 2.9 22 21 M 37 ALA H M 38 SER H 1.0 . 2.9 23 22 M 38 SER H M 39 ARG H 1.0 . 5.0 24 23 M 36 TRP H M 38 SER H 1.0 . 5.0 25 24 M 35 VAL H M 33 HIS HA 1.0 . 5.0 26 25 M 36 TRP H M 34 ILE HA 1.0 . 5.0 27 26 M 38 SER H M 36 TRP HA 1.0 . 5.0 28 27 M 40 GLU H M 38 SER HA 1.0 . 5.0 29 28 M 36 TRP H M 33 HIS HA 1.0 . 5.0 30 29 M 39 ARG H M 36 TRP HA 1.0 . 5.0 31 30 M 34 ILE HA M 37 ALA HB% 1.0 . 3.3 32 31 M 34 ILE H M 31 LEU O 1.0 . 2.0 33 32 M 31 LEU O M 34 ILE N 1.0 . 3.0 34 33 M 35 VAL H M 32 LYS O 1.0 . 2.0 35 34 M 32 LYS O M 35 VAL N 1.0 . 3.0 36 35 M 36 TRP H M 33 HIS O 1.0 . 2.0 37 36 M 33 HIS O M 36 TRP N 1.0 . 3.0 38 37 M 37 ALA H M 34 ILE O 1.0 . 2.0 39 38 M 34 ILE O M 37 ALA N 1.0 . 3.0 40 39 M 38 SER H M 35 VAL O 1.0 . 2.0 41 40 M 35 VAL O M 38 SER N 1.0 . 3.0 42 41 M 39 ARG H M 36 TRP O 1.0 . 2.0 43 42 M 36 TRP O M 39 ARG N 1.0 . 3.0 44 43 M 13 LEU H M 13 LEU HBy 1.0 . 2.7 45 44 M 13 LEU H M 13 LEU HBx 1.0 . 2.7 46 45 M 14 ASP H M 14 ASP HB2 1.0 . 2.7 47 46 M 14 ASP H M 14 ASP HB3 1.0 . 2.7 48 47 M 16 TRP HA M 19 ILE HD1% 1.0 . 3.3 49 48 M 19 ILE HD1% M 16 TRP HE3 1.0 . 5.0 50 49 M 19 ILE HD1% M 16 TRP HZ3 1.0 . 5.0 51 50 M 17 GLU H M 17 GLU HBx 1.0 . 2.7 52 51 M 17 GLU H M 17 GLU HBy 1.0 . 2.7 53 52 M 17 GLU HA M 20 ARG HDx 1.0 . 5.0 54 52 M 17 GLU HA M 20 ARG HDy 1.0 . 5.0 55 53 M 18 LYS H M 18 LYS HB2 1.0 . 2.7 56 54 M 18 LYS H M 18 LYS HB3 1.0 . 2.7 57 55 M 19 ILE H M 19 ILE HB 1.0 . 2.7 58 56 M 19 ILE HG2% M 19 ILE HA 1.0 . 2.7 59 57 M 20 ARG H M 20 ARG HB2 1.0 . 2.7 60 58 M 20 ARG H M 20 ARG HB3 1.0 . 2.7 61 59 M 21 LEU H M 21 LEU HG 1.0 . 3.3 62 60 M 21 LEU HDy% M 21 LEU HA 1.0 . 2.7 63 61 M 31 LEU HD1% M 31 LEU HA 1.0 . 3.3 64 62 M 31 LEU HD1% M 34 ILE HG2% 1.0 . 5.0 65 63 M 31 LEU HA M 34 ILE HD1% 1.0 . 5.0 66 64 M 33 HIS H M 33 HIS HB2 1.0 . 2.7 67 65 M 33 HIS H M 33 HIS HB3 1.0 . 2.7 68 66 M 34 ILE HA M 34 ILE HG2% 1.0 . 2.7 69 67 M 35 VAL H M 35 VAL HB 1.0 . 2.7 70 68 M 35 VAL H M 35 VAL HG2% 1.0 . 2.7 71 69 M 35 VAL HA M 35 VAL HG1% 1.0 . 2.7 72 70 M 35 VAL HG2% M 35 VAL HA 1.0 . 2.7 73 71 M 36 TRP H M 35 VAL HB 1.0 . 2.7 74 72 M 38 SER H M 35 VAL HG1% 1.0 . 5.0 75 73 M 36 TRP HA M 36 TRP HD1 1.0 . 2.7 76 74 M 36 TRP HA M 36 TRP HE3 1.0 . 5.0 77 75 M 36 TRP HA M 39 ARG HGx 1.0 . 5.0 78 75 M 36 TRP HA M 39 ARG HGy 1.0 . 5.0 79 76 M 36 TRP HA M 39 ARG HDx 1.0 . 5.0 80 76 M 36 TRP HA M 39 ARG HDy 1.0 . 5.0 81 77 M 40 GLU H M 40 GLU HB2 1.0 . 2.7 82 77 M 40 GLU H M 40 GLU HB3 1.0 . 2.7 83 78 M 40 GLU HA M 40 GLU HGy 1.0 . 3.3 84 78 M 40 GLU HA M 40 GLU HGx 1.0 . 3.3 85 79 M 41 LEU H M 41 LEU HG 1.0 . 3.3 86 80 M 41 LEU HD2% M 41 LEU HA 1.0 . 2.7 87 81 M 41 LEU HD2% M 42 GLU H 1.0 . 3.3 88 82 M 13 LEU HDx% A 109 MET HE% 1.0 . 5.0 89 83 M 13 LEU HDx% A 124 MET HE% 1.0 . 5.0 90 84 A 109 MET HE% M 13 LEU HDy% 1.0 . 5.0 91 85 A 124 MET HE% M 13 LEU HDy% 1.0 . 5.0 92 86 M 15 LYS HA A 109 MET HE% 1.0 . 3.3 93 87 A 109 MET HE% M 15 LYS HBy 1.0 . 3.3 94 87 A 109 MET HE% M 15 LYS HBx 1.0 . 3.3 95 88 A 116 LEU HD1% M 15 LYS HBy 1.0 . 5.0 96 88 M 15 LYS HBx A 116 LEU HD1% 1.0 . 5.0 97 89 A 116 LEU HD2% M 15 LYS HBy 1.0 . 5.0 98 89 M 15 LYS HBx A 116 LEU HD2% 1.0 . 5.0 99 90 A 124 MET HG2 M 15 LYS HBy 1.0 . 5.0 100 90 M 15 LYS HBx A 124 MET HG2 1.0 . 5.0 101 91 A 124 MET HGy M 15 LYS HBy 1.0 . 0.0 102 91 M 15 LYS HBx A 124 MET HGy 1.0 . 0.0 103 92 A 124 MET HE% M 15 LYS HBy 1.0 . 5.0 104 92 A 124 MET HE% M 15 LYS HBx 1.0 . 5.0 105 93 A 116 LEU HD2% M 15 LYS HG2 1.0 . 5.0 106 93 A 116 LEU HD2% M 15 LYS HG3 1.0 . 5.0 107 94 A 116 LEU HD2% M 15 LYS HD2 1.0 . 3.3 108 94 A 116 LEU HD2% M 15 LYS HD3 1.0 . 3.3 109 95 A 109 MET HE% M 15 LYS HEx 1.0 . 5.0 110 95 A 109 MET HE% M 15 LYS HEy 1.0 . 5.0 111 96 A 116 LEU HA M 15 LYS HEx 1.0 . 5.0 112 96 M 15 LYS HEy A 116 LEU HA 1.0 . 5.0 113 97 A 116 LEU HD2% M 15 LYS HEx 1.0 . 3.3 114 97 A 116 LEU HD2% M 15 LYS HEy 1.0 . 3.3 115 98 A 120 GLU HB3 M 15 LYS HEx 1.0 . 4.0 116 98 M 15 LYS HEy A 120 GLU HB3 1.0 . 4.0 117 99 A 120 GLU HG2 M 15 LYS HEx 1.0 . 3.3 118 99 A 120 GLU HG3 M 15 LYS HEx 1.0 . 3.3 119 99 M 15 LYS HEy A 120 GLU HG2 1.0 . 3.3 120 99 M 15 LYS HEy A 120 GLU HG3 1.0 . 3.3 121 100 A 123 GLU HB3 M 15 LYS HEx 1.0 . 4.0 122 100 A 123 GLU HB2 M 15 LYS HEx 1.0 . 4.0 123 100 M 15 LYS HEy A 123 GLU HB2 1.0 . 4.0 124 100 M 15 LYS HEy A 123 GLU HB3 1.0 . 4.0 125 101 M 16 TRP H A 124 MET HE% 1.0 . 5.0 126 102 M 16 TRP H A 144 MET HE% 1.0 . 5.0 127 103 M 16 TRP HA A 109 MET HE% 1.0 . 5.0 128 104 M 16 TRP HA A 124 MET HE% 1.0 . 3.3 129 105 A 144 MET HE% M 16 TRP HBy 1.0 . 5.0 130 106 A 144 MET HE% M 16 TRP HBx 1.0 . 5.0 131 107 M 16 TRP HD1 A 124 MET HA 1.0 . 3.3 132 108 A 124 MET HE% M 16 TRP HD1 1.0 . 5.0 133 109 M 16 TRP HD1 A 127 GLU HBx 1.0 . 3.3 134 110 M 16 TRP HD1 A 127 GLU HBy 1.0 . 3.3 135 111 A 144 MET HE% M 16 TRP HD1 1.0 . 3.3 136 112 M 16 TRP HE1 A 105 LEU HD2% 1.0 . 5.0 137 113 A 124 MET HA M 16 TRP HE1 1.0 . 2.7 138 114 M 16 TRP HE1 A 124 MET HB2 1.0 . 4.0 139 115 M 16 TRP HE1 A 124 MET HBy 1.0 . 0.0 140 116 A 124 MET HG2 M 16 TRP HE1 1.0 . 5.0 141 117 A 124 MET HGy M 16 TRP HE1 1.0 . 0.0 142 118 A 124 MET HE% M 16 TRP HE1 1.0 . 5.0 143 119 A 127 GLU HBx M 16 TRP HE1 1.0 . 3.3 144 120 A 127 GLU HBy M 16 TRP HE1 1.0 . 3.3 145 121 M 16 TRP HE3 A 144 MET HE% 1.0 . 5.0 146 122 M 16 TRP HE3 A 145 MET HE% 1.0 . 5.0 147 123 A 105 LEU HD2% M 16 TRP HZ2 1.0 . 3.3 148 124 A 124 MET HE% M 16 TRP HZ2 1.0 . 5.0 149 125 M 16 TRP HZ2 A 125 ILE HA 1.0 . 2.7 150 126 M 16 TRP HZ2 A 125 ILE HD1% 1.0 . 5.0 151 127 M 16 TRP HZ2 A 128 ALA HB% 1.0 . 3.3 152 128 M 16 TRP HZ2 A 136 VAL HG1% 1.0 . 5.0 153 129 M 16 TRP HZ2 A 136 VAL HG2% 1.0 . 3.3 154 130 M 16 TRP HZ3 A 124 MET HE% 1.0 . 5.0 155 131 M 16 TRP HZ3 A 136 VAL HG1% 1.0 . 5.0 156 132 M 16 TRP HZ3 A 136 VAL HG2% 1.0 . 5.0 157 133 M 16 TRP HZ3 A 145 MET HE% 1.0 . 5.0 158 134 M 16 TRP HH2 A 100 ILE HD1% 1.0 . 5.0 159 135 A 105 LEU HD2% M 16 TRP HH2 1.0 . 3.3 160 136 A 124 MET HE% M 16 TRP HH2 1.0 . 5.0 161 137 A 125 ILE HA M 16 TRP HH2 1.0 . 5.0 162 138 A 125 ILE HD1% M 16 TRP HH2 1.0 . 5.0 163 139 A 128 ALA HB% M 16 TRP HH2 1.0 . 5.0 164 140 A 136 VAL HG1% M 16 TRP HH2 1.0 . 3.3 165 141 A 136 VAL HG2% M 16 TRP HH2 1.0 . 5.0 166 142 M 16 TRP HE1 A 124 MET H 1.0 . 5.0 167 143 M 16 TRP HD1 A 127 GLU H 1.0 . 5.0 168 144 M 16 TRP HE1 A 127 GLU H 1.0 . 5.0 169 145 M 16 TRP HE1 A 128 ALA H 1.0 . 5.0 170 146 A 109 MET HE% M 18 LYS HB3 1.0 . 3.3 171 146 A 109 MET HE% M 18 LYS HB2 1.0 . 3.3 172 147 A 112 LEU HD1% M 18 LYS HB3 1.0 . 5.0 173 147 M 18 LYS HB2 A 112 LEU HD1% 1.0 . 5.0 174 148 A 112 LEU HD2% M 18 LYS HB3 1.0 . 5.0 175 148 M 18 LYS HB2 A 112 LEU HD2% 1.0 . 5.0 176 149 A 112 LEU HD1% M 18 LYS HG2 1.0 . 5.0 177 149 A 112 LEU HD1% M 18 LYS HG3 1.0 . 5.0 178 150 A 112 LEU HD2% M 18 LYS HG2 1.0 . 5.0 179 150 A 112 LEU HD2% M 18 LYS HG3 1.0 . 5.0 180 151 A 109 MET HE% M 18 LYS HE2 1.0 . 5.0 181 151 A 109 MET HE% M 18 LYS HE3 1.0 . 5.0 182 152 A 112 LEU HD1% M 18 LYS HE2 1.0 . 5.0 183 152 A 112 LEU HD1% M 18 LYS HE3 1.0 . 5.0 184 153 A 112 LEU HD2% M 18 LYS HE2 1.0 . 5.0 185 153 A 112 LEU HD2% M 18 LYS HE3 1.0 . 5.0 186 154 A 114 GLU HA M 18 LYS HE2 1.0 . 5.0 187 154 M 18 LYS HE3 A 114 GLU HA 1.0 . 5.0 188 155 A 114 GLU HBy M 18 LYS HE2 1.0 . 3.3 189 155 M 18 LYS HE3 A 114 GLU HBy 1.0 . 3.3 190 156 A 114 GLU HBx M 18 LYS HE2 1.0 . 0.0 191 156 M 18 LYS HE3 A 114 GLU HBx 1.0 . 0.0 192 157 A 114 GLU HGx M 18 LYS HE2 1.0 . 3.3 193 157 M 18 LYS HE3 A 114 GLU HGx 1.0 . 3.3 194 157 M 18 LYS HE3 A 114 GLU HGy 1.0 . 3.3 195 157 A 114 GLU HGy M 18 LYS HE2 1.0 . 3.3 196 158 M 19 ILE HB A 145 MET HE% 1.0 . 3.3 197 159 M 19 ILE HG2% A 92 PHE HE% 1.0 . 3.3 198 160 M 19 ILE HG2% A 92 PHE HZ 1.0 . 3.3 199 161 M 19 ILE HG2% A 108 VAL HB 1.0 . 5.0 200 162 M 19 ILE HG2% A 108 VAL HG1% 1.0 . 5.0 201 163 M 19 ILE HG2% A 108 VAL HG2% 1.0 . 5.0 202 164 M 19 ILE HG2% A 109 MET HE% 1.0 . 5.0 203 165 M 19 ILE HG2% A 141 PHE HE% 1.0 . 5.0 204 166 M 19 ILE HG2% A 141 PHE HZ 1.0 . 3.3 205 167 M 19 ILE HG2% A 145 MET HE% 1.0 . 3.3 206 168 M 19 ILE HD1% A 108 VAL HG1% 1.0 . 5.0 207 169 M 19 ILE HD1% A 108 VAL HG2% 1.0 . 5.0 208 170 M 19 ILE HD1% A 109 MET HE% 1.0 . 5.0 209 171 M 19 ILE HD1% A 124 MET HE% 1.0 . 3.3 210 172 M 19 ILE HD1% A 145 MET HE% 1.0 . 5.0 211 173 M 20 ARG HA A 145 MET HA 1.0 . 3.3 212 174 A 145 MET HE% M 20 ARG HA 1.0 . 3.3 213 175 A 145 MET HA M 20 ARG HB2 1.0 . 3.3 214 175 M 20 ARG HB3 A 145 MET HA 1.0 . 3.3 215 176 A 145 MET HE% M 20 ARG HB2 1.0 . 5.0 216 176 M 20 ARG HB3 A 145 MET HE% 1.0 . 5.0 217 177 A 145 MET HA M 20 ARG HGx 1.0 . 3.3 218 177 A 145 MET HA M 20 ARG HGy 1.0 . 3.3 219 178 A 145 MET HA M 20 ARG HDx 1.0 . 4.0 220 178 M 20 ARG HDy A 145 MET HA 1.0 . 4.0 221 179 A 88 ALA HB% M 21 LEU HDx% 1.0 . 5.0 222 180 A 145 MET HE% M 21 LEU HDx% 1.0 . 5.0 223 181 M 21 LEU HDy% A 88 ALA HB% 1.0 . 5.0 224 182 M 21 LEU HDy% A 145 MET HE% 1.0 . 5.0 225 183 A 51 MET HE% M 29 TYR HD% 1.0 . 5.0 226 184 M 29 TYR HD% A 51 MET HA 1.0 . 5.0 227 185 M 29 TYR HD% A 54 GLU HBx 1.0 . 3.3 228 186 M 29 TYR HD% A 54 GLU HBy 1.0 . 0.0 229 187 M 29 TYR HD% A 55 VAL HG1% 1.0 . 5.0 230 188 M 29 TYR HD% A 55 VAL HG2% 1.0 . 5.0 231 189 A 51 MET HA M 29 TYR HE% 1.0 . 5.0 232 190 A 54 GLU HBx M 29 TYR HE% 1.0 . 5.0 233 191 A 54 GLU HBy M 29 TYR HE% 1.0 . 5.0 234 192 M 29 TYR HE% A 55 VAL HA 1.0 . 3.3 235 193 M 29 TYR HE% A 55 VAL HB 1.0 . 5.0 236 194 A 55 VAL HG1% M 29 TYR HE% 1.0 . 5.0 237 195 A 55 VAL HG2% M 29 TYR HE% 1.0 . 5.0 238 196 M 29 TYR HE% A 71 MET HA 1.0 . 3.3 239 197 M 29 TYR HE% A 71 MET HB2 1.0 . 3.3 240 198 M 29 TYR HE% A 71 MET HB3 1.0 . 0.0 241 199 M 29 TYR HE% A 71 MET HGx 1.0 . 0.0 242 200 M 29 TYR HE% A 71 MET HGy 1.0 . 0.0 243 201 M 29 TYR HE% A 74 ARG HB2 1.0 . 3.3 244 201 M 29 TYR HE% A 74 ARG HB3 1.0 . 3.3 245 202 M 29 TYR HE% A 74 ARG HD2 1.0 . 4.0 246 202 M 29 TYR HE% A 74 ARG HD3 1.0 . 4.0 247 203 A 47 GLU HA M 30 LYS HE2 1.0 . 5.0 248 203 M 30 LYS HE3 A 47 GLU HA 1.0 . 5.0 249 204 A 47 GLU HG2 M 30 LYS HE2 1.0 . 3.3 250 204 A 47 GLU HG3 M 30 LYS HE2 1.0 . 3.3 251 204 M 30 LYS HE3 A 47 GLU HG2 1.0 . 3.3 252 204 M 30 LYS HE3 A 47 GLU HG3 1.0 . 3.3 253 205 M 31 LEU HA A 51 MET HE% 1.0 . 3.3 254 206 A 55 VAL HG2% M 31 LEU HG 1.0 . 5.0 255 207 M 31 LEU HG A 71 MET HE% 1.0 . 4.0 256 208 M 31 LEU HD1% A 51 MET HE% 1.0 . 5.0 257 209 M 31 LEU HD1% A 19 PHE HD% 1.0 . 5.0 258 210 M 31 LEU HD1% A 19 PHE HE% 1.0 . 5.0 259 211 M 31 LEU HD2% A 52 ILE HA 1.0 . 5.0 260 212 A 55 VAL HG1% M 31 LEU HD2% 1.0 . 3.3 261 213 A 55 VAL HG2% M 31 LEU HD2% 1.0 . 3.3 262 214 M 31 LEU HD2% A 63 ILE HG2% 1.0 . 5.0 263 215 M 31 LEU HD2% A 63 ILE HD1% 1.0 . 3.3 264 216 M 31 LEU HD2% A 68 PHE HD% 1.0 . 5.0 265 217 M 31 LEU HD2% A 68 PHE HE% 1.0 . 5.0 266 218 A 71 MET HE% M 31 LEU HD2% 1.0 . 4.0 267 219 A 72 MET HA M 32 LYS HEx 1.0 . 3.3 268 219 M 32 LYS HEy A 72 MET HA 1.0 . 3.3 269 220 A 72 MET HE% M 32 LYS HEx 1.0 . 5.0 270 220 M 32 LYS HEy A 72 MET HE% 1.0 . 5.0 271 221 M 33 HIS H A 72 MET HE% 1.0 . 5.0 272 222 M 34 ILE HA A 39 LEU HD1% 1.0 . 3.3 273 223 M 34 ILE HG2% A 19 PHE HD% 1.0 . 4.0 274 224 M 34 ILE HG2% A 19 PHE HE% 1.0 . 3.3 275 225 M 34 ILE HG2% A 19 PHE HZ 1.0 . 3.3 276 226 M 34 ILE HG2% A 35 VAL HG1% 1.0 . 3.3 277 227 M 34 ILE HG2% A 36 MET HA 1.0 . 5.0 278 228 M 34 ILE HG2% A 36 MET HBx 1.0 . 5.0 279 229 M 34 ILE HG2% A 36 MET HBy 1.0 . 5.0 280 230 M 34 ILE HG2% A 36 MET HGx 1.0 . 5.0 281 230 M 34 ILE HG2% A 36 MET HGy 1.0 . 5.0 282 231 M 34 ILE HG2% A 36 MET HE% 1.0 . 5.0 283 232 M 34 ILE HG2% A 39 LEU HD1% 1.0 . 3.3 284 233 M 34 ILE HG2% A 51 MET HE% 1.0 . 5.0 285 234 M 34 ILE HD1% A 36 MET HA 1.0 . 5.0 286 235 M 34 ILE HD1% A 36 MET HBx 1.0 . 5.0 287 236 M 34 ILE HD1% A 36 MET HBy 1.0 . 0.0 288 237 M 34 ILE HD1% A 36 MET HE% 1.0 . 5.0 289 238 M 34 ILE HD1% A 39 LEU HD1% 1.0 . 5.0 290 239 M 34 ILE HD1% A 51 MET HE% 1.0 . 4.0 291 240 M 35 VAL HA A 19 PHE HD% 1.0 . 5.0 292 241 M 35 VAL HA A 19 PHE HE% 1.0 . 2.7 293 242 M 35 VAL HB A 72 MET HE% 1.0 . 3.3 294 243 M 35 VAL HG2% A 19 PHE HD% 1.0 . 4.0 295 244 M 35 VAL HG2% A 19 PHE HE% 1.0 . 3.3 296 245 M 35 VAL HG2% A 68 PHE HD% 1.0 . 5.0 297 246 M 35 VAL HG2% A 68 PHE HE% 1.0 . 3.3 298 247 M 35 VAL HG2% A 71 MET HE% 1.0 . 3.3 299 248 M 35 VAL HG2% A 72 MET HE% 1.0 . 5.0 300 249 M 35 VAL HG1% A 15 ALA HB% 1.0 . 3.3 301 250 M 35 VAL HG1% A 18 LEU HD2% 1.0 . 5.0 302 251 M 35 VAL HG1% A 19 PHE HD% 1.0 . 5.0 303 252 M 35 VAL HG1% A 19 PHE HE% 1.0 . 4.0 304 253 M 35 VAL HG1% A 68 PHE HE% 1.0 . 3.3 305 254 M 35 VAL HG1% A 71 MET HE% 1.0 . 5.0 306 255 M 35 VAL HG1% A 72 MET HE% 1.0 . 3.3 307 256 M 36 TRP HD1 A 72 MET HE% 1.0 . 5.0 308 257 A 72 MET HE% M 36 TRP HE1 1.0 . 3.3 309 258 A 39 LEU HD2% M 37 ALA HA 1.0 . 5.0 310 259 M 37 ALA HB% A 39 LEU HD1% 1.0 . 3.3 311 260 M 37 ALA HB% A 39 LEU HD2% 1.0 . 3.3 312 261 M 38 SER H A 39 LEU HD1% 1.0 . 3.3 313 262 M 38 SER HA A 35 VAL HG1% 1.0 . 5.0 314 263 M 38 SER HA A 39 LEU HD1% 1.0 . 3.3 315 264 A 39 LEU HD1% M 38 SER HBx 1.0 . 5.0 316 264 A 39 LEU HD1% M 38 SER HBy 1.0 . 5.0 317 265 A 19 PHE HE% M 38 SER HBx 1.0 . 5.0 318 265 A 19 PHE HE% M 38 SER HBy 1.0 . 5.0 319 266 A 35 VAL HG1% M 38 SER HBx 1.0 . 5.0 320 266 A 35 VAL HG1% M 38 SER HBy 1.0 . 5.0 321 267 A 18 LEU HD2% M 39 ARG HA 1.0 . 5.0 322 268 M 41 LEU HD1% A 35 VAL HA 1.0 . 5.0 323 269 A 35 VAL HG1% M 41 LEU HD1% 1.0 . 3.3 324 270 M 41 LEU HD1% A 38 SER HA 1.0 . 5.0 325 271 M 41 LEU HD1% A 38 SER HB2 1.0 . 3.3 326 272 M 41 LEU HD1% A 38 SER HB3 1.0 . 3.3 327 273 M 41 LEU HD1% A 39 LEU HA 1.0 . 5.0 328 274 M 41 LEU HD2% A 38 SER HA 1.0 . 5.0 329 275 M 41 LEU HD2% A 38 SER HB2 1.0 . 3.3 330 276 M 41 LEU HD2% A 38 SER HB3 1.0 . 3.3 331 277 M 41 LEU HD2% A 39 LEU HA 1.0 . 5.0 stop_ save_