data_nef_c17353_2lmt 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 17354 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 93 ASP OD2 2 1 CA CA 1 129 ASP OD2 2 2 CA CA 1 97 ASP OD2 2 1 CA CA 1 99 PHE O 2 1 CA CA 1 133 ASP OD2 2 2 CA CA 1 104 GLU OE2 2 1 CA CA 1 140 GLU OE2 2 2 CA CA 1 135 MET O 2 2 CA CA 1 95 ASP OD2 2 1 CA CA 1 131 ASP OD2 2 2 CA CA 1 93 ASP OD1 2 1 CA CA 1 129 ASP OD1 2 2 CA CA 1 104 GLU OE1 2 1 CA CA 1 140 GLU OE1 2 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 MET start . . 2 A 2 SER middle . . 3 A 3 GLU 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 ASP middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 VAL middle . . 18 A 18 GLN middle . . 19 A 19 PHE middle . . 20 A 20 ASP middle . . 21 A 21 LYS middle . . 22 A 22 GLU middle . . 23 A 23 GLY middle . false 24 A 24 THR middle . . 25 A 25 GLY middle . false 26 A 26 LYS middle . . 27 A 27 ILE middle . . 28 A 28 ALA middle . . 29 A 29 THR middle . . 30 A 30 ARG 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 LEU middle . . 36 A 36 MET middle . . 37 A 37 ARG middle . . 38 A 38 THR 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 LEU middle . . 52 A 52 ILE middle . . 53 A 53 ALA middle . . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 GLU middle . . 57 A 57 ASN middle . . 58 A 58 ASN middle . . 59 A 59 ASN middle . . 60 A 60 ASN middle . . 61 A 61 GLY middle . false 62 A 62 GLN middle . . 63 A 63 LEU middle . . 64 A 64 ASN middle . . 65 A 65 PHE middle . . 66 A 66 THR middle . . 67 A 67 GLU middle . . 68 A 68 PHE middle . . 69 A 69 CYS middle . . 70 A 70 GLY middle . false 71 A 71 ILE middle . . 72 A 72 MET middle . . 73 A 73 ALA middle . . 74 A 74 LYS middle . . 75 A 75 GLN middle . . 76 A 76 MET middle . . 77 A 77 ARG middle . . 78 A 78 GLU middle . . 79 A 79 THR middle . . 80 A 80 ASP middle . . 81 A 81 THR middle . . 82 A 82 GLU middle . . 83 A 83 GLU middle . . 84 A 84 GLU middle . . 85 A 85 MET middle . . 86 A 86 ARG middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 PHE middle . . 90 A 90 LYS middle . . 91 A 91 ILE middle . . 92 A 92 PHE middle . . 93 A 93 ASP middle . . 94 A 94 ARG middle . . 95 A 95 ASP middle . . 96 A 96 GLY middle . false 97 A 97 ASP middle . . 98 A 98 GLY middle . false 99 A 99 PHE middle . . 100 A 100 ILE middle . . 101 A 101 SER middle . . 102 A 102 PRO middle . false 103 A 103 ALA middle . . 104 A 104 GLU middle . . 105 A 105 LEU middle . . 106 A 106 ARG middle . . 107 A 107 PHE middle . . 108 A 108 VAL middle . . 109 A 109 MET middle . . 110 A 110 ILE 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 VAL middle . . 117 A 117 THR middle . . 118 A 118 ASP middle . . 119 A 119 GLU middle . . 120 A 120 GLU middle . . 121 A 121 ILE 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 PHE 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 MET middle . . 136 A 136 ILE 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 TRP middle . . 144 A 144 MET middle . . 145 A 145 ILE middle . . 146 A 146 SER middle . . 147 A 147 GLN middle . . 148 A 148 LYS end . . 149 B 1 CA . . . 150 B 2 CA . . . stop_ save_ save_acam_shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode acam_shifts loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.211 0.006 A 1 MET HBx H 1 1.857 0.003 A 1 MET HBy H 1 1.943 0.006 A 1 MET HE% H 1 2.049 0.000 A 1 MET HGx H 1 2.198 0.000 A 1 MET HGy H 1 2.198 0.000 A 1 MET C C 13 177.058 0.036 A 1 MET CA C 13 55.676 0.091 A 1 MET CB C 13 29.435 0.037 A 1 MET CE C 13 17.339 0.000 A 1 MET CG C 13 33.672 0.007 A 2 SER H H 1 8.189 0.017 A 2 SER HA H 1 4.350 0.000 A 2 SER HBx H 1 3.786 0.000 A 2 SER HBy H 1 3.786 0.000 A 2 SER C C 13 174.658 0.000 A 2 SER CA C 13 58.790 0.000 A 2 SER CB C 13 63.986 0.000 A 2 SER N N 15 121.659 0.099 A 3 GLU H H 1 8.529 0.001 A 3 GLU HA H 1 4.356 0.002 A 3 GLU HBy H 1 2.038 0.002 A 3 GLU HBx H 1 1.851 0.002 A 3 GLU HGx H 1 2.227 0.000 A 3 GLU HGy H 1 2.253 0.000 A 3 GLU C C 13 176.325 0.000 A 3 GLU CA C 13 56.103 0.038 A 3 GLU CB C 13 30.710 0.032 A 3 GLU CG C 13 36.181 0.011 A 3 GLU N N 15 121.816 0.005 A 4 LEU H H 1 8.303 0.002 A 4 LEU HA H 1 4.557 0.002 A 4 LEU HBy H 1 1.651 0.001 A 4 LEU HBx H 1 1.264 0.002 A 4 LEU HDx% H 1 0.811 0.003 A 4 LEU HDy% H 1 0.879 0.003 A 4 LEU HG H 1 1.696 0.000 A 4 LEU C C 13 177.860 0.000 A 4 LEU CA C 13 54.370 0.028 A 4 LEU CB C 13 43.164 0.041 A 4 LEU CDx C 13 23.452 0.025 A 4 LEU CDy C 13 26.503 0.042 A 4 LEU CG C 13 27.000 0.016 A 4 LEU N N 15 121.987 0.003 A 5 THR H H 1 8.759 0.002 A 5 THR HA H 1 4.415 0.006 A 5 THR HB H 1 4.738 0.004 A 5 THR HG2% H 1 1.285 0.001 A 5 THR C C 13 175.397 0.000 A 5 THR CA C 13 60.251 0.029 A 5 THR CB C 13 71.253 0.039 A 5 THR CG2 C 13 21.682 0.103 A 5 THR N N 15 113.550 0.001 A 6 GLU H H 1 8.983 0.002 A 6 GLU HA H 1 3.893 0.002 A 6 GLU HBx H 1 1.997 0.000 A 6 GLU HBy H 1 1.997 0.000 A 6 GLU HGx H 1 2.280 0.000 A 6 GLU HGy H 1 2.371 0.000 A 6 GLU C C 13 179.473 0.000 A 6 GLU CA C 13 59.900 0.018 A 6 GLU CB C 13 29.304 0.128 A 6 GLU CG C 13 36.668 0.003 A 6 GLU N N 15 120.259 0.004 A 7 GLU H H 1 8.675 0.002 A 7 GLU HA H 1 3.999 0.002 A 7 GLU HBx H 1 1.896 0.002 A 7 GLU HBy H 1 2.005 0.002 A 7 GLU HGx H 1 2.243 0.000 A 7 GLU HGy H 1 2.360 0.000 A 7 GLU C C 13 179.346 0.000 A 7 GLU CA C 13 60.178 0.039 A 7 GLU CB C 13 28.966 0.024 A 7 GLU CG C 13 37.110 0.000 A 7 GLU N N 15 119.409 0.004 A 8 GLN H H 1 7.678 0.002 A 8 GLN HA H 1 3.745 0.002 A 8 GLN HBx H 1 1.164 0.003 A 8 GLN HBy H 1 2.130 0.004 A 8 GLN HE2x H 1 6.643 0.000 A 8 GLN HE2y H 1 7.628 0.000 A 8 GLN HGx H 1 2.160 0.001 A 8 GLN HGy H 1 2.248 0.004 A 8 GLN C C 13 177.276 0.000 A 8 GLN CA C 13 58.706 0.020 A 8 GLN CB C 13 29.157 0.019 A 8 GLN CG C 13 34.938 0.011 A 8 GLN N N 15 120.762 0.003 A 8 GLN NE2 N 15 110.975 0.004 A 9 ILE H H 1 8.078 0.003 A 9 ILE HA H 1 3.363 0.002 A 9 ILE HB H 1 1.826 0.001 A 9 ILE HD1% H 1 0.753 0.002 A 9 ILE HG1x H 1 0.994 0.004 A 9 ILE HG1y H 1 1.605 0.002 A 9 ILE HG2% H 1 1.104 0.001 A 9 ILE C C 13 177.843 0.000 A 9 ILE CA C 13 65.749 0.020 A 9 ILE CB C 13 37.601 0.064 A 9 ILE CD1 C 13 12.719 0.013 A 9 ILE CG1 C 13 30.151 0.035 A 9 ILE CG2 C 13 17.617 0.019 A 9 ILE N N 15 118.129 0.007 A 10 ALA H H 1 7.830 0.002 A 10 ALA HA H 1 4.099 0.004 A 10 ALA HB% H 1 1.465 0.002 A 10 ALA C C 13 180.406 0.000 A 10 ALA CA C 13 55.347 0.020 A 10 ALA CB C 13 17.951 0.010 A 10 ALA N N 15 120.760 0.007 A 11 GLU H H 1 7.698 0.002 A 11 GLU HA H 1 4.149 0.002 A 11 GLU HBx H 1 2.158 0.001 A 11 GLU HBy H 1 2.158 0.001 A 11 GLU HGx H 1 2.468 0.001 A 11 GLU HGy H 1 2.468 0.001 A 11 GLU C C 13 180.395 0.000 A 11 GLU CA C 13 59.319 0.023 A 11 GLU CB C 13 29.492 0.022 A 11 GLU CG C 13 36.281 0.010 A 11 GLU N N 15 119.849 0.009 A 12 PHE H H 1 9.052 0.001 A 12 PHE HA H 1 4.889 0.003 A 12 PHE HBy H 1 3.909 0.001 A 12 PHE HBx H 1 3.571 0.001 A 12 PHE HDx H 1 7.204 0.002 A 12 PHE HDy H 1 7.204 0.002 A 12 PHE HEx H 1 7.293 0.002 A 12 PHE HEy H 1 7.293 0.002 A 12 PHE HZ H 1 7.110 0.000 A 12 PHE C C 13 178.506 0.000 A 12 PHE CA C 13 57.581 0.018 A 12 PHE CB C 13 36.582 0.027 A 12 PHE CDx C 13 130.086 0.000 A 12 PHE CDy C 13 130.086 0.000 A 12 PHE CEx C 13 131.395 0.000 A 12 PHE CEy C 13 131.395 0.000 A 12 PHE CZ C 13 128.892 0.000 A 12 PHE N N 15 120.252 0.001 A 13 LYS H H 1 9.129 0.002 A 13 LYS HA H 1 3.686 0.005 A 13 LYS HBx H 1 1.637 0.002 A 13 LYS HBy H 1 1.918 0.000 A 13 LYS HDx H 1 1.052 0.001 A 13 LYS HDy H 1 1.193 0.001 A 13 LYS HEx H 1 2.514 0.000 A 13 LYS HEy H 1 2.514 0.000 A 13 LYS HGx H 1 0.760 0.003 A 13 LYS HGy H 1 1.156 0.002 A 13 LYS C C 13 177.631 0.000 A 13 LYS CA C 13 59.852 0.040 A 13 LYS CB C 13 31.382 0.050 A 13 LYS CD C 13 28.277 0.025 A 13 LYS CE C 13 41.656 0.010 A 13 LYS CG C 13 24.405 0.043 A 13 LYS N N 15 122.736 0.003 A 14 ASP H H 1 7.778 0.003 A 14 ASP HA H 1 4.401 0.002 A 14 ASP HBx H 1 2.692 0.001 A 14 ASP HBy H 1 2.786 0.001 A 14 ASP C C 13 178.387 0.000 A 14 ASP CA C 13 57.290 0.019 A 14 ASP CB C 13 40.747 0.017 A 14 ASP N N 15 117.810 0.006 A 15 ALA H H 1 7.551 0.004 A 15 ALA HA H 1 4.349 0.003 A 15 ALA HB% H 1 1.627 0.001 A 15 ALA C C 13 179.023 0.000 A 15 ALA CA C 13 54.800 0.019 A 15 ALA CB C 13 19.510 0.034 A 15 ALA N N 15 120.130 0.018 A 16 PHE H H 1 8.889 0.002 A 16 PHE HA H 1 3.776 0.003 A 16 PHE HBx H 1 3.120 0.004 A 16 PHE HBy H 1 3.364 0.000 A 16 PHE HDx H 1 6.732 0.001 A 16 PHE HDy H 1 6.732 0.001 A 16 PHE HEx H 1 6.930 0.004 A 16 PHE HEy H 1 6.930 0.004 A 16 PHE HZ H 1 7.367 0.000 A 16 PHE C C 13 177.891 0.000 A 16 PHE CA C 13 62.347 0.018 A 16 PHE CB C 13 40.972 0.011 A 16 PHE CDx C 13 132.401 0.000 A 16 PHE CDy C 13 132.401 0.000 A 16 PHE CEx C 13 131.356 0.000 A 16 PHE CEy C 13 131.356 0.000 A 16 PHE CZ C 13 130.399 0.000 A 16 PHE N N 15 120.409 0.003 A 17 VAL H H 1 8.527 0.003 A 17 VAL HA H 1 3.880 0.002 A 17 VAL HB H 1 2.333 0.001 A 17 VAL HGx% H 1 1.124 0.008 A 17 VAL HGy% H 1 1.086 0.002 A 17 VAL C C 13 178.574 0.000 A 17 VAL CA C 13 65.432 0.021 A 17 VAL CB C 13 31.676 0.031 A 17 VAL CGy C 13 21.294 0.022 A 17 VAL CGx C 13 21.182 0.031 A 17 VAL N N 15 113.297 0.001 A 18 GLN H H 1 7.396 0.003 A 18 GLN HA H 1 3.926 0.002 A 18 GLN HBy H 1 2.060 0.002 A 18 GLN HBx H 1 1.947 0.002 A 18 GLN HE2y H 1 7.396 0.000 A 18 GLN HE2x H 1 6.798 0.000 A 18 GLN HGx H 1 2.385 0.000 A 18 GLN HGy H 1 2.483 0.002 A 18 GLN C C 13 177.016 0.000 A 18 GLN CA C 13 57.768 0.038 A 18 GLN CB C 13 27.877 0.057 A 18 GLN CG C 13 33.798 0.010 A 18 GLN N N 15 117.702 0.001 A 18 GLN NE2 N 15 112.916 0.000 A 19 PHE H H 1 7.680 0.002 A 19 PHE HA H 1 4.237 0.005 A 19 PHE HBx H 1 2.655 0.000 A 19 PHE HBy H 1 3.029 0.000 A 19 PHE HDx H 1 7.337 0.000 A 19 PHE HDy H 1 7.337 0.000 A 19 PHE HEx H 1 7.265 0.002 A 19 PHE HEy H 1 7.265 0.002 A 19 PHE HZ H 1 7.082 0.000 A 19 PHE C C 13 174.864 0.000 A 19 PHE CA C 13 58.718 0.009 A 19 PHE CB C 13 39.721 0.008 A 19 PHE CDx C 13 132.321 0.000 A 19 PHE CDy C 13 132.321 0.000 A 19 PHE CEx C 13 131.261 0.000 A 19 PHE CEy C 13 131.261 0.000 A 19 PHE CZ C 13 129.092 0.000 A 19 PHE N N 15 116.347 0.003 A 20 ASP H H 1 7.471 0.002 A 20 ASP HA H 1 4.905 0.003 A 20 ASP HBx H 1 2.098 0.001 A 20 ASP HBy H 1 2.726 0.000 A 20 ASP C C 13 176.842 0.000 A 20 ASP CA C 13 52.191 0.020 A 20 ASP CB C 13 39.729 0.014 A 20 ASP N N 15 122.614 0.004 A 21 LYS H H 1 8.049 0.002 A 21 LYS HA H 1 4.019 0.004 A 21 LYS HBx H 1 1.834 0.004 A 21 LYS HBy H 1 1.834 0.004 A 21 LYS HDx H 1 1.642 0.002 A 21 LYS HDy H 1 1.642 0.002 A 21 LYS HEx H 1 2.966 0.000 A 21 LYS HEy H 1 2.966 0.000 A 21 LYS HGx H 1 1.408 0.003 A 21 LYS HGy H 1 1.453 0.003 A 21 LYS C C 13 178.698 0.000 A 21 LYS CA C 13 58.765 0.081 A 21 LYS CB C 13 32.502 0.028 A 21 LYS CD C 13 28.934 0.073 A 21 LYS CE C 13 42.105 0.045 A 21 LYS CG C 13 25.140 0.034 A 21 LYS N N 15 122.862 0.006 A 22 GLU H H 1 8.736 0.001 A 22 GLU HA H 1 4.380 0.003 A 22 GLU HBx H 1 2.010 0.010 A 22 GLU HBy H 1 2.237 0.004 A 22 GLU HGx H 1 2.220 0.000 A 22 GLU HGy H 1 2.267 0.000 A 22 GLU C C 13 177.213 0.000 A 22 GLU CA C 13 56.157 0.032 A 22 GLU CB C 13 30.082 0.044 A 22 GLU CG C 13 36.784 0.000 A 22 GLU N N 15 115.581 0.003 A 23 GLY H H 1 7.947 0.003 A 23 GLY HAx H 1 3.872 0.005 A 23 GLY HAy H 1 3.872 0.005 A 23 GLY C C 13 176.148 0.000 A 23 GLY CA C 13 47.408 0.035 A 23 GLY N N 15 110.270 0.003 A 24 THR H H 1 9.289 0.002 A 24 THR HA H 1 4.316 0.019 A 24 THR HB H 1 4.337 0.003 A 24 THR HG2% H 1 1.191 0.002 A 24 THR C C 13 176.833 0.000 A 24 THR CA C 13 62.261 0.018 A 24 THR CB C 13 70.697 0.036 A 24 THR CG2 C 13 22.196 0.006 A 24 THR N N 15 113.004 0.002 A 25 GLY H H 1 10.736 0.002 A 25 GLY HAx H 1 3.778 0.014 A 25 GLY HAy H 1 4.325 0.004 A 25 GLY C C 13 173.561 0.000 A 25 GLY CA C 13 45.427 0.031 A 25 GLY N N 15 115.270 0.001 A 26 LYS H H 1 7.724 0.001 A 26 LYS HA H 1 5.412 0.004 A 26 LYS HBx H 1 1.503 0.004 A 26 LYS HBy H 1 1.569 0.004 A 26 LYS HDx H 1 1.449 0.000 A 26 LYS HDy H 1 1.579 0.001 A 26 LYS HEx H 1 2.954 0.002 A 26 LYS HEy H 1 2.954 0.002 A 26 LYS HGx H 1 1.212 0.002 A 26 LYS HGy H 1 1.307 0.000 A 26 LYS C C 13 174.593 0.000 A 26 LYS CA C 13 54.642 0.028 A 26 LYS CB C 13 37.065 0.042 A 26 LYS CD C 13 29.506 0.024 A 26 LYS CE C 13 42.410 0.050 A 26 LYS CG C 13 25.212 0.039 A 26 LYS N N 15 118.662 0.021 A 27 ILE H H 1 8.538 0.003 A 27 ILE HA H 1 4.548 0.003 A 27 ILE HB H 1 1.547 0.001 A 27 ILE HD1% H 1 0.256 0.002 A 27 ILE HG1x H 1 0.743 0.000 A 27 ILE HG1y H 1 1.106 0.002 A 27 ILE HG2% H 1 -0.047 0.001 A 27 ILE C C 13 174.944 0.000 A 27 ILE CA C 13 58.314 0.018 A 27 ILE CB C 13 41.614 0.016 A 27 ILE CD1 C 13 14.581 0.012 A 27 ILE CG1 C 13 25.360 0.010 A 27 ILE CG2 C 13 17.557 0.011 A 27 ILE N N 15 111.472 0.004 A 28 ALA H H 1 8.657 0.003 A 28 ALA HA H 1 4.800 0.000 A 28 ALA HB% H 1 1.540 0.001 A 28 ALA C C 13 179.715 0.000 A 28 ALA CA C 13 51.346 0.020 A 28 ALA CB C 13 19.358 0.009 A 28 ALA N N 15 124.211 0.009 A 29 THR H H 1 8.485 0.003 A 29 THR HA H 1 3.592 0.002 A 29 THR HB H 1 4.151 0.005 A 29 THR HG2% H 1 1.100 0.002 A 29 THR C C 13 177.382 0.000 A 29 THR CA C 13 65.758 0.023 A 29 THR CB C 13 67.310 0.054 A 29 THR CG2 C 13 24.146 0.023 A 29 THR N N 15 115.429 0.003 A 30 ARG H H 1 7.992 0.001 A 30 ARG HA H 1 4.221 0.003 A 30 ARG HBy H 1 1.932 0.000 A 30 ARG HBx H 1 1.852 0.000 A 30 ARG HDx H 1 3.194 0.000 A 30 ARG HDy H 1 3.194 0.000 A 30 ARG HGx H 1 1.576 0.002 A 30 ARG HGy H 1 1.630 0.000 A 30 ARG C C 13 177.009 0.000 A 30 ARG CA C 13 58.098 0.024 A 30 ARG CB C 13 29.433 0.037 A 30 ARG CD C 13 43.165 0.000 A 30 ARG CG C 13 27.082 0.011 A 30 ARG N N 15 117.500 0.021 A 31 GLU H H 1 7.779 0.003 A 31 GLU HA H 1 4.621 0.003 A 31 GLU HBy H 1 2.250 0.000 A 31 GLU HBx H 1 1.861 0.000 A 31 GLU HGx H 1 2.249 0.000 A 31 GLU HGy H 1 2.376 0.000 A 31 GLU C C 13 175.966 0.000 A 31 GLU CA C 13 55.854 0.066 A 31 GLU CB C 13 29.851 0.099 A 31 GLU CG C 13 36.754 0.005 A 31 GLU N N 15 117.845 0.018 A 32 LEU H H 1 7.537 0.002 A 32 LEU HA H 1 3.658 0.002 A 32 LEU HBx H 1 1.373 0.004 A 32 LEU HBy H 1 1.834 0.004 A 32 LEU HDx% H 1 0.976 0.001 A 32 LEU HDy% H 1 0.845 0.001 A 32 LEU HG H 1 1.470 0.001 A 32 LEU C C 13 178.018 0.000 A 32 LEU CA C 13 58.570 0.023 A 32 LEU CB C 13 42.089 0.015 A 32 LEU CDx C 13 23.319 0.017 A 32 LEU CDy C 13 26.411 0.027 A 32 LEU CG C 13 27.038 0.001 A 32 LEU N N 15 120.007 0.031 A 33 GLY H H 1 8.946 0.001 A 33 GLY HAx H 1 3.448 0.003 A 33 GLY HAy H 1 3.782 0.002 A 33 GLY C C 13 175.153 0.000 A 33 GLY CA C 13 48.164 0.024 A 33 GLY N N 15 106.131 0.002 A 34 THR H H 1 7.765 0.002 A 34 THR HA H 1 3.822 0.002 A 34 THR HB H 1 4.139 0.001 A 34 THR HG2% H 1 1.386 0.001 A 34 THR C C 13 176.897 0.000 A 34 THR CA C 13 66.084 0.022 A 34 THR CB C 13 68.432 0.069 A 34 THR CG2 C 13 22.745 0.032 A 34 THR N N 15 118.338 0.004 A 35 LEU H H 1 7.686 0.003 A 35 LEU HA H 1 3.659 0.002 A 35 LEU HBx H 1 0.321 0.000 A 35 LEU HBy H 1 1.417 0.002 A 35 LEU HDx% H 1 0.533 0.001 A 35 LEU HDy% H 1 -0.106 0.002 A 35 LEU HG H 1 1.048 0.003 A 35 LEU C C 13 178.612 0.000 A 35 LEU CA C 13 58.389 0.046 A 35 LEU CB C 13 40.184 0.021 A 35 LEU CDx C 13 22.720 0.015 A 35 LEU CDy C 13 27.160 0.014 A 35 LEU CG C 13 27.116 0.021 A 35 LEU N N 15 124.860 0.005 A 36 MET H H 1 8.818 0.002 A 36 MET HA H 1 3.741 0.003 A 36 MET HBx H 1 1.894 0.000 A 36 MET HBy H 1 2.001 0.000 A 36 MET HE% H 1 1.755 0.000 A 36 MET HGx H 1 2.461 0.000 A 36 MET HGy H 1 2.849 0.000 A 36 MET C C 13 178.652 0.000 A 36 MET CA C 13 61.275 0.020 A 36 MET CB C 13 32.886 0.000 A 36 MET CE C 13 16.741 0.000 A 36 MET CG C 13 33.527 0.065 A 36 MET N N 15 117.884 0.003 A 37 ARG H H 1 8.248 0.003 A 37 ARG HA H 1 4.613 0.004 A 37 ARG HBx H 1 1.916 0.000 A 37 ARG HBy H 1 1.944 0.000 A 37 ARG HDx H 1 3.077 0.001 A 37 ARG HDy H 1 3.243 0.002 A 37 ARG HGx H 1 1.824 0.004 A 37 ARG HGy H 1 1.892 0.003 A 37 ARG C C 13 181.584 0.000 A 37 ARG CA C 13 59.325 0.043 A 37 ARG CB C 13 30.209 0.047 A 37 ARG CD C 13 43.604 0.005 A 37 ARG CG C 13 29.280 0.000 A 37 ARG N N 15 118.636 0.009 A 38 THR H H 1 8.141 0.003 A 38 THR HA H 1 4.191 0.003 A 38 THR HB H 1 4.581 0.002 A 38 THR HG2% H 1 1.469 0.001 A 38 THR C C 13 175.425 0.000 A 38 THR CA C 13 66.284 0.020 A 38 THR CB C 13 69.224 0.064 A 38 THR CG2 C 13 21.322 0.045 A 38 THR N N 15 117.930 0.009 A 39 LEU H H 1 7.257 0.003 A 39 LEU HA H 1 4.567 0.004 A 39 LEU HBx H 1 1.746 0.007 A 39 LEU HBy H 1 1.875 0.002 A 39 LEU HDx% H 1 0.968 0.003 A 39 LEU HDy% H 1 1.147 0.001 A 39 LEU HG H 1 1.717 0.004 A 39 LEU C C 13 177.009 0.000 A 39 LEU CA C 13 54.360 0.039 A 39 LEU CB C 13 42.690 0.096 A 39 LEU CDy C 13 26.724 0.025 A 39 LEU CDx C 13 22.953 0.047 A 39 LEU CG C 13 26.779 0.067 A 39 LEU N N 15 120.627 0.002 A 40 GLY H H 1 7.768 0.002 A 40 GLY HAx H 1 3.802 0.003 A 40 GLY HAy H 1 4.238 0.002 A 40 GLY C C 13 174.414 0.000 A 40 GLY CA C 13 45.987 0.029 A 40 GLY N N 15 106.889 0.005 A 41 GLN H H 1 7.927 0.003 A 41 GLN HA H 1 4.423 0.006 A 41 GLN HBx H 1 1.519 0.002 A 41 GLN HBy H 1 2.091 0.000 A 41 GLN HE2x H 1 6.956 0.000 A 41 GLN HE2y H 1 7.646 0.000 A 41 GLN HGx H 1 1.978 0.001 A 41 GLN HGy H 1 2.165 0.000 A 41 GLN C C 13 173.880 0.000 A 41 GLN CA C 13 53.575 0.044 A 41 GLN CB C 13 30.222 0.022 A 41 GLN CG C 13 33.407 0.011 A 41 GLN N N 15 117.910 0.004 A 41 GLN NE2 N 15 113.588 0.003 A 42 ASN H H 1 8.687 0.002 A 42 ASN HA H 1 5.168 0.002 A 42 ASN HBx H 1 2.498 0.001 A 42 ASN HBy H 1 2.726 0.001 A 42 ASN HD2x H 1 6.719 0.000 A 42 ASN HD2y H 1 7.527 0.000 A 42 ASN C C 13 171.911 0.000 A 42 ASN CA C 13 51.109 0.022 A 42 ASN CB C 13 39.523 0.001 A 42 ASN N N 15 117.124 0.005 A 42 ASN ND2 N 15 112.570 0.010 A 43 PRO HA H 1 4.706 0.004 A 43 PRO HBy H 1 2.071 0.004 A 43 PRO HBx H 1 1.937 0.002 A 43 PRO HDx H 1 3.230 0.000 A 43 PRO HDy H 1 3.642 0.000 A 43 PRO HGx H 1 1.903 0.000 A 43 PRO HGy H 1 1.988 0.001 A 43 PRO C C 13 177.609 0.000 A 43 PRO CA C 13 62.425 0.016 A 43 PRO CB C 13 31.574 0.029 A 43 PRO CD C 13 50.110 0.032 A 43 PRO CG C 13 27.206 0.019 A 44 THR H H 1 8.905 0.002 A 44 THR HA H 1 4.362 0.004 A 44 THR HB H 1 4.683 0.003 A 44 THR HG2% H 1 1.340 0.001 A 44 THR C C 13 175.080 0.000 A 44 THR CA C 13 60.942 0.038 A 44 THR CB C 13 70.840 0.037 A 44 THR CG2 C 13 21.838 0.091 A 44 THR N N 15 113.526 0.004 A 45 GLU H H 1 8.824 0.002 A 45 GLU HA H 1 3.973 0.003 A 45 GLU HBx H 1 2.018 0.001 A 45 GLU HBy H 1 2.018 0.001 A 45 GLU HGx H 1 2.288 0.000 A 45 GLU HGy H 1 2.355 0.000 A 45 GLU C C 13 179.100 0.000 A 45 GLU CA C 13 59.982 0.055 A 45 GLU CB C 13 29.124 0.060 A 45 GLU CG C 13 36.476 0.000 A 45 GLU N N 15 120.764 0.004 A 46 ALA H H 1 8.321 0.002 A 46 ALA HA H 1 4.060 0.002 A 46 ALA HB% H 1 1.364 0.002 A 46 ALA C C 13 180.467 0.000 A 46 ALA CA C 13 55.023 0.029 A 46 ALA CB C 13 18.297 0.010 A 46 ALA N N 15 120.902 0.003 A 47 GLU H H 1 7.730 0.005 A 47 GLU HA H 1 4.006 0.001 A 47 GLU HBy H 1 2.278 0.003 A 47 GLU HBx H 1 1.837 0.019 A 47 GLU HGx H 1 2.236 0.006 A 47 GLU HGy H 1 2.352 0.012 A 47 GLU C C 13 180.014 0.000 A 47 GLU CA C 13 58.800 0.017 A 47 GLU CB C 13 29.873 0.044 A 47 GLU CG C 13 37.137 0.024 A 47 GLU N N 15 118.718 0.014 A 48 LEU H H 1 8.425 0.002 A 48 LEU HA H 1 3.924 0.002 A 48 LEU HBx H 1 1.646 0.002 A 48 LEU HBy H 1 1.646 0.002 A 48 LEU HDx% H 1 0.804 0.001 A 48 LEU HDy% H 1 0.797 0.001 A 48 LEU HG H 1 1.601 0.006 A 48 LEU C C 13 178.266 0.000 A 48 LEU CA C 13 58.030 0.014 A 48 LEU CB C 13 41.892 0.025 A 48 LEU CDx C 13 24.565 0.010 A 48 LEU CDy C 13 24.748 0.006 A 48 LEU CG C 13 27.172 0.050 A 48 LEU N N 15 119.756 0.003 A 49 GLN H H 1 8.040 0.003 A 49 GLN HA H 1 3.878 0.006 A 49 GLN HBx H 1 2.104 0.002 A 49 GLN HBy H 1 2.159 0.001 A 49 GLN HE2y H 1 7.539 0.000 A 49 GLN HE2x H 1 6.822 0.000 A 49 GLN HGx H 1 2.465 0.001 A 49 GLN HGy H 1 2.465 0.001 A 49 GLN C C 13 178.833 0.000 A 49 GLN CA C 13 58.879 0.016 A 49 GLN CB C 13 27.928 0.002 A 49 GLN CG C 13 33.874 0.001 A 49 GLN N N 15 116.651 0.003 A 49 GLN NE2 N 15 112.290 0.005 A 50 ASP H H 1 7.557 0.002 A 50 ASP HA H 1 4.483 0.002 A 50 ASP HBx H 1 2.669 0.000 A 50 ASP HBy H 1 2.716 0.000 A 50 ASP C C 13 178.764 0.000 A 50 ASP CA C 13 57.292 0.020 A 50 ASP CB C 13 40.558 0.018 A 50 ASP N N 15 119.260 0.003 A 51 LEU H H 1 8.032 0.002 A 51 LEU HA H 1 4.068 0.003 A 51 LEU HBy H 1 2.021 0.001 A 51 LEU HBx H 1 1.277 0.002 A 51 LEU HDx% H 1 0.744 0.002 A 51 LEU HDy% H 1 0.861 0.001 A 51 LEU HG H 1 1.918 0.002 A 51 LEU C C 13 179.876 0.000 A 51 LEU CA C 13 57.786 0.044 A 51 LEU CB C 13 42.523 0.021 A 51 LEU CDy C 13 25.103 0.020 A 51 LEU CDx C 13 22.917 0.017 A 51 LEU CG C 13 26.509 0.098 A 51 LEU N N 15 120.721 0.002 A 52 ILE H H 1 8.148 0.003 A 52 ILE HA H 1 3.768 0.003 A 52 ILE HB H 1 1.926 0.002 A 52 ILE HD1% H 1 0.766 0.002 A 52 ILE HG1x H 1 1.105 0.001 A 52 ILE HG1y H 1 1.533 0.002 A 52 ILE HG2% H 1 0.843 0.001 A 52 ILE C C 13 176.968 0.000 A 52 ILE CA C 13 64.279 0.020 A 52 ILE CB C 13 38.522 0.028 A 52 ILE CD1 C 13 13.811 0.012 A 52 ILE CG1 C 13 28.208 0.027 A 52 ILE CG2 C 13 17.719 0.011 A 52 ILE N N 15 115.482 0.004 A 53 ALA H H 1 7.749 0.003 A 53 ALA HA H 1 4.079 0.004 A 53 ALA HB% H 1 1.503 0.001 A 53 ALA C C 13 180.138 0.000 A 53 ALA CA C 13 55.444 0.016 A 53 ALA CB C 13 18.267 0.004 A 53 ALA N N 15 122.862 0.006 A 54 GLU H H 1 8.059 0.003 A 54 GLU HA H 1 4.080 0.004 A 54 GLU HBx H 1 2.068 0.001 A 54 GLU HBy H 1 2.068 0.001 A 54 GLU HGx H 1 2.259 0.000 A 54 GLU HGy H 1 2.351 0.000 A 54 GLU C C 13 178.339 0.000 A 54 GLU CA C 13 58.966 0.026 A 54 GLU CB C 13 29.359 0.086 A 54 GLU CG C 13 36.203 0.000 A 54 GLU N N 15 117.672 0.003 A 55 ALA H H 1 8.043 0.002 A 55 ALA HA H 1 4.276 0.002 A 55 ALA HB% H 1 1.391 0.001 A 55 ALA C C 13 180.862 0.000 A 55 ALA CA C 13 54.114 0.019 A 55 ALA CB C 13 18.729 0.026 A 55 ALA N N 15 122.222 0.002 A 56 GLU H H 1 8.616 0.003 A 56 GLU HA H 1 3.954 0.004 A 56 GLU HBx H 1 2.035 0.003 A 56 GLU HBy H 1 2.111 0.007 A 56 GLU HGx H 1 2.210 0.000 A 56 GLU HGy H 1 2.363 0.000 A 56 GLU C C 13 177.593 0.000 A 56 GLU CA C 13 58.978 0.015 A 56 GLU CB C 13 29.407 0.034 A 56 GLU CG C 13 36.860 0.009 A 56 GLU N N 15 118.996 0.005 A 57 ASN H H 1 8.099 0.002 A 57 ASN HA H 1 4.627 0.003 A 57 ASN HBx H 1 2.763 0.000 A 57 ASN HBy H 1 2.797 0.000 A 57 ASN HD2x H 1 6.946 0.000 A 57 ASN HD2y H 1 7.684 0.000 A 57 ASN C C 13 176.438 0.000 A 57 ASN CA C 13 54.826 0.017 A 57 ASN CB C 13 39.219 0.012 A 57 ASN N N 15 116.962 0.001 A 57 ASN ND2 N 15 113.433 0.015 A 58 ASN H H 1 8.515 0.004 A 58 ASN HA H 1 4.837 0.004 A 58 ASN HBx H 1 2.796 0.000 A 58 ASN HBy H 1 2.834 0.000 A 58 ASN HD2x H 1 6.954 0.000 A 58 ASN HD2y H 1 7.728 0.000 A 58 ASN C C 13 175.618 0.000 A 58 ASN CA C 13 54.082 0.027 A 58 ASN CB C 13 39.886 0.009 A 58 ASN N N 15 115.766 0.008 A 58 ASN ND2 N 15 113.941 0.001 A 59 ASN H H 1 8.168 0.002 A 59 ASN HA H 1 4.960 0.003 A 59 ASN HBx H 1 2.806 0.002 A 59 ASN HBy H 1 3.224 0.001 A 59 ASN HD2x H 1 6.898 0.000 A 59 ASN HD2y H 1 7.703 0.000 A 59 ASN C C 13 175.773 0.000 A 59 ASN CA C 13 53.238 0.023 A 59 ASN CB C 13 39.678 0.017 A 59 ASN N N 15 117.724 0.010 A 59 ASN ND2 N 15 112.902 0.001 A 60 ASN H H 1 8.698 0.001 A 60 ASN HA H 1 4.577 0.004 A 60 ASN HBx H 1 2.735 0.001 A 60 ASN HBy H 1 3.027 0.000 A 60 ASN HD2x H 1 6.861 0.000 A 60 ASN HD2y H 1 7.527 0.000 A 60 ASN C C 13 175.563 0.000 A 60 ASN CA C 13 54.146 0.021 A 60 ASN CB C 13 38.194 0.015 A 60 ASN N N 15 116.612 0.003 A 60 ASN ND2 N 15 112.560 0.001 A 61 GLY H H 1 8.389 0.002 A 61 GLY HAx H 1 3.685 0.006 A 61 GLY HAy H 1 4.116 0.004 A 61 GLY C C 13 174.471 0.000 A 61 GLY CA C 13 46.622 0.028 A 61 GLY N N 15 105.082 0.009 A 62 GLN H H 1 7.508 0.003 A 62 GLN HA H 1 5.337 0.004 A 62 GLN HBy H 1 1.948 0.001 A 62 GLN HBx H 1 1.895 0.005 A 62 GLN HE2x H 1 6.753 0.000 A 62 GLN HE2y H 1 7.333 0.000 A 62 GLN HGx H 1 2.171 0.003 A 62 GLN HGy H 1 2.301 0.002 A 62 GLN C C 13 174.454 0.000 A 62 GLN CA C 13 54.232 0.017 A 62 GLN CB C 13 33.545 0.008 A 62 GLN CG C 13 33.802 0.052 A 62 GLN N N 15 118.876 0.002 A 62 GLN NE2 N 15 111.341 0.000 A 63 LEU H H 1 9.053 0.003 A 63 LEU HA H 1 4.981 0.004 A 63 LEU HBx H 1 1.606 0.003 A 63 LEU HBy H 1 1.606 0.003 A 63 LEU HDx% H 1 0.844 0.001 A 63 LEU HDy% H 1 0.845 0.001 A 63 LEU HG H 1 1.628 0.000 A 63 LEU C C 13 175.939 0.000 A 63 LEU CA C 13 53.717 0.024 A 63 LEU CB C 13 46.176 0.024 A 63 LEU CDx C 13 25.723 0.007 A 63 LEU CDy C 13 27.587 0.012 A 63 LEU CG C 13 26.101 0.000 A 63 LEU N N 15 120.885 0.006 A 64 ASN H H 1 9.242 0.002 A 64 ASN HA H 1 5.653 0.003 A 64 ASN HBy H 1 3.488 0.001 A 64 ASN HBx H 1 2.769 0.001 A 64 ASN HD2x H 1 6.894 0.000 A 64 ASN HD2y H 1 7.435 0.000 A 64 ASN C C 13 175.761 0.000 A 64 ASN CA C 13 50.918 0.016 A 64 ASN CB C 13 39.264 0.016 A 64 ASN N N 15 120.492 0.004 A 64 ASN ND2 N 15 110.708 0.004 A 65 PHE H H 1 8.649 0.002 A 65 PHE HA H 1 3.605 0.002 A 65 PHE HBy H 1 2.643 0.000 A 65 PHE HBx H 1 2.322 0.003 A 65 PHE HDx H 1 6.604 0.000 A 65 PHE HDy H 1 6.604 0.000 A 65 PHE HEx H 1 7.085 0.003 A 65 PHE HEy H 1 7.085 0.003 A 65 PHE HZ H 1 7.511 0.000 A 65 PHE C C 13 177.445 0.000 A 65 PHE CA C 13 62.008 0.018 A 65 PHE CB C 13 38.892 0.010 A 65 PHE CDx C 13 131.768 0.000 A 65 PHE CDy C 13 131.768 0.000 A 65 PHE CEx C 13 130.633 0.000 A 65 PHE CEy C 13 130.633 0.000 A 65 PHE CZ C 13 130.254 0.000 A 65 PHE N N 15 118.334 0.010 A 66 THR H H 1 8.104 0.003 A 66 THR HA H 1 3.596 0.003 A 66 THR HB H 1 4.184 0.003 A 66 THR HG2% H 1 1.209 0.002 A 66 THR C C 13 177.935 0.000 A 66 THR CA C 13 66.990 0.024 A 66 THR CB C 13 68.422 0.043 A 66 THR CG2 C 13 21.894 0.028 A 66 THR N N 15 117.328 0.005 A 67 GLU H H 1 8.738 0.002 A 67 GLU HA H 1 3.957 0.003 A 67 GLU HBx H 1 1.896 0.002 A 67 GLU HBy H 1 2.355 0.003 A 67 GLU HGx H 1 2.263 0.000 A 67 GLU HGy H 1 2.466 0.001 A 67 GLU C C 13 180.199 0.000 A 67 GLU CA C 13 58.937 0.028 A 67 GLU CB C 13 29.770 0.023 A 67 GLU CG C 13 36.886 0.007 A 67 GLU N N 15 123.544 0.004 A 68 PHE H H 1 8.672 0.002 A 68 PHE HA H 1 4.082 0.011 A 68 PHE HBx H 1 3.156 0.000 A 68 PHE HBy H 1 3.156 0.000 A 68 PHE HDx H 1 6.936 0.013 A 68 PHE HDy H 1 6.936 0.013 A 68 PHE HEx H 1 7.223 0.004 A 68 PHE HEy H 1 7.223 0.004 A 68 PHE HZ H 1 6.938 0.000 A 68 PHE C C 13 176.369 0.000 A 68 PHE CA C 13 61.556 0.064 A 68 PHE CB C 13 39.144 0.036 A 68 PHE CDx C 13 131.248 0.000 A 68 PHE CDy C 13 131.248 0.000 A 68 PHE CEx C 13 131.890 0.000 A 68 PHE CEy C 13 131.890 0.000 A 68 PHE CZ C 13 130.633 0.000 A 68 PHE N N 15 120.984 0.006 A 69 CYS H H 1 8.314 0.002 A 69 CYS HA H 1 3.343 0.002 A 69 CYS HBx H 1 2.325 0.001 A 69 CYS HBy H 1 2.769 0.001 A 69 CYS C C 13 176.517 0.000 A 69 CYS CA C 13 65.054 0.034 A 69 CYS CB C 13 26.475 0.007 A 69 CYS N N 15 117.704 0.004 A 70 GLY H H 1 7.697 0.004 A 70 GLY HAx H 1 3.721 0.005 A 70 GLY HAy H 1 3.788 0.006 A 70 GLY C C 13 176.456 0.000 A 70 GLY CA C 13 47.070 0.021 A 70 GLY N N 15 106.485 0.005 A 71 ILE H H 1 7.525 0.002 A 71 ILE HA H 1 3.572 0.002 A 71 ILE HB H 1 1.808 0.001 A 71 ILE HD1% H 1 0.818 0.001 A 71 ILE HG1x H 1 1.061 0.003 A 71 ILE HG1y H 1 1.706 0.000 A 71 ILE HG2% H 1 0.786 0.002 A 71 ILE C C 13 178.168 0.000 A 71 ILE CA C 13 65.213 0.035 A 71 ILE CB C 13 38.246 0.008 A 71 ILE CD1 C 13 14.916 0.014 A 71 ILE CG1 C 13 29.579 0.014 A 71 ILE CG2 C 13 17.291 0.099 A 71 ILE N N 15 123.890 0.001 A 72 MET H H 1 7.669 0.002 A 72 MET HA H 1 3.974 0.002 A 72 MET HBy H 1 1.518 0.005 A 72 MET HBx H 1 1.425 0.004 A 72 MET HE% H 1 1.518 0.002 A 72 MET HGx H 1 0.903 0.000 A 72 MET HGy H 1 1.040 0.000 A 72 MET C C 13 178.681 0.000 A 72 MET CA C 13 56.048 0.013 A 72 MET CB C 13 30.355 0.046 A 72 MET CE C 13 16.849 0.017 A 72 MET CG C 13 32.460 0.047 A 72 MET N N 15 117.820 0.005 A 73 ALA H H 1 8.329 0.002 A 73 ALA HA H 1 3.980 0.003 A 73 ALA HB% H 1 1.422 0.001 A 73 ALA C C 13 180.021 0.000 A 73 ALA CA C 13 55.058 0.026 A 73 ALA CB C 13 17.980 0.023 A 73 ALA N N 15 120.480 0.004 A 74 LYS H H 1 7.357 0.002 A 74 LYS HA H 1 4.015 0.006 A 74 LYS HBx H 1 1.867 0.002 A 74 LYS HBy H 1 1.907 0.000 A 74 LYS HDx H 1 1.612 0.001 A 74 LYS HDy H 1 1.612 0.001 A 74 LYS HEx H 1 2.905 0.002 A 74 LYS HEy H 1 2.905 0.002 A 74 LYS HGx H 1 1.387 0.001 A 74 LYS HGy H 1 1.498 0.003 A 74 LYS C C 13 178.329 0.000 A 74 LYS CA C 13 58.740 0.031 A 74 LYS CB C 13 32.456 0.013 A 74 LYS CD C 13 29.534 0.048 A 74 LYS CE C 13 42.055 0.047 A 74 LYS CG C 13 25.148 0.003 A 74 LYS N N 15 116.993 0.002 A 75 GLN H H 1 7.884 0.002 A 75 GLN HA H 1 4.018 0.001 A 75 GLN HBx H 1 2.037 0.001 A 75 GLN HBy H 1 2.037 0.001 A 75 GLN HE2x H 1 6.795 0.000 A 75 GLN HE2y H 1 7.363 0.000 A 75 GLN HGx H 1 2.200 0.000 A 75 GLN HGy H 1 2.200 0.000 A 75 GLN C C 13 177.232 0.000 A 75 GLN CA C 13 56.818 0.032 A 75 GLN CB C 13 28.461 0.021 A 75 GLN CG C 13 33.379 0.008 A 75 GLN N N 15 118.200 0.004 A 75 GLN NE2 N 15 110.022 0.001 A 76 MET H H 1 7.806 0.002 A 76 MET HA H 1 4.250 0.006 A 76 MET HBx H 1 1.990 0.006 A 76 MET HBy H 1 2.186 0.002 A 76 MET HE% H 1 2.082 0.000 A 76 MET HGx H 1 2.534 0.000 A 76 MET HGy H 1 2.662 0.000 A 76 MET C C 13 176.245 0.000 A 76 MET CA C 13 56.472 0.040 A 76 MET CB C 13 33.248 0.077 A 76 MET CE C 13 16.934 0.007 A 76 MET CG C 13 32.087 0.012 A 76 MET N N 15 116.887 0.014 A 77 ARG H H 1 7.723 0.002 A 77 ARG HA H 1 4.271 0.003 A 77 ARG HBx H 1 1.867 0.000 A 77 ARG HBy H 1 1.867 0.000 A 77 ARG HDx H 1 3.196 0.000 A 77 ARG HDy H 1 3.196 0.000 A 77 ARG HGx H 1 1.668 0.003 A 77 ARG HGy H 1 1.668 0.003 A 77 ARG C C 13 176.571 0.000 A 77 ARG CA C 13 56.741 0.020 A 77 ARG CB C 13 30.846 0.016 A 77 ARG CD C 13 43.532 0.011 A 77 ARG CG C 13 27.063 0.027 A 77 ARG N N 15 120.950 0.008 A 78 GLU H H 1 8.476 0.002 A 78 GLU HA H 1 4.354 0.003 A 78 GLU HBy H 1 2.086 0.005 A 78 GLU HBx H 1 1.964 0.002 A 78 GLU HGx H 1 2.269 0.003 A 78 GLU HGy H 1 2.346 0.003 A 78 GLU C C 13 176.942 0.000 A 78 GLU CA C 13 56.686 0.053 A 78 GLU CB C 13 30.265 0.038 A 78 GLU CG C 13 36.302 0.003 A 78 GLU N N 15 122.440 0.002 A 79 THR H H 1 8.231 0.002 A 79 THR HA H 1 4.303 0.005 A 79 THR HB H 1 4.206 0.003 A 79 THR HG2% H 1 1.202 0.002 A 79 THR C C 13 174.378 0.000 A 79 THR CA C 13 62.276 0.021 A 79 THR CB C 13 70.020 0.070 A 79 THR CG2 C 13 21.683 0.057 A 79 THR N N 15 115.617 0.005 A 80 ASP H H 1 8.524 0.002 A 80 ASP HA H 1 4.722 0.003 A 80 ASP HBx H 1 2.698 0.000 A 80 ASP HBy H 1 2.815 0.000 A 80 ASP C C 13 177.073 0.000 A 80 ASP CA C 13 54.466 0.018 A 80 ASP CB C 13 41.233 0.000 A 80 ASP N N 15 123.799 0.001 A 81 THR H H 1 8.335 0.002 A 81 THR HA H 1 4.273 0.043 A 81 THR HB H 1 4.357 0.002 A 81 THR HG2% H 1 1.261 0.001 A 81 THR C C 13 175.716 0.000 A 81 THR CA C 13 63.567 0.020 A 81 THR CB C 13 69.509 0.047 A 81 THR CG2 C 13 21.920 0.050 A 81 THR N N 15 115.712 0.001 A 82 GLU H H 1 8.384 0.002 A 82 GLU HA H 1 4.223 0.003 A 82 GLU HBy H 1 2.124 0.014 A 82 GLU HBx H 1 2.103 0.000 A 82 GLU HGx H 1 2.305 0.000 A 82 GLU HGy H 1 2.342 0.000 A 82 GLU C C 13 177.697 0.000 A 82 GLU CA C 13 58.669 0.032 A 82 GLU CB C 13 29.548 0.017 A 82 GLU CG C 13 36.399 0.000 A 82 GLU N N 15 122.440 0.004 A 83 GLU H H 1 8.208 0.002 A 83 GLU HA H 1 4.037 0.005 A 83 GLU HBx H 1 2.082 0.006 A 83 GLU HBy H 1 2.082 0.006 A 83 GLU HGx H 1 2.306 0.009 A 83 GLU HGy H 1 2.346 0.004 A 83 GLU C C 13 178.735 0.000 A 83 GLU CA C 13 59.308 0.063 A 83 GLU CB C 13 29.506 0.038 A 83 GLU CG C 13 36.330 0.014 A 83 GLU N N 15 119.699 0.007 A 84 GLU H H 1 8.239 0.003 A 84 GLU HA H 1 4.101 0.005 A 84 GLU HBx H 1 2.182 0.002 A 84 GLU HBy H 1 2.182 0.002 A 84 GLU HGx H 1 2.394 0.000 A 84 GLU HGy H 1 2.470 0.000 A 84 GLU C C 13 179.920 0.000 A 84 GLU CA C 13 59.590 0.031 A 84 GLU CB C 13 29.562 0.010 A 84 GLU CG C 13 36.665 0.000 A 84 GLU N N 15 118.985 0.008 A 85 MET H H 1 8.263 0.002 A 85 MET HA H 1 4.540 0.003 A 85 MET HBx H 1 2.242 0.001 A 85 MET HBy H 1 2.633 0.001 A 85 MET HE% H 1 2.013 0.000 A 85 MET HGx H 1 2.634 0.001 A 85 MET HGy H 1 2.849 0.001 A 85 MET C C 13 178.517 0.000 A 85 MET CA C 13 58.660 0.029 A 85 MET CB C 13 32.777 0.095 A 85 MET CE C 13 17.489 0.004 A 85 MET CG C 13 33.160 0.017 A 85 MET N N 15 120.226 0.003 A 86 ARG H H 1 8.493 0.001 A 86 ARG HA H 1 4.084 0.005 A 86 ARG HBx H 1 1.747 0.005 A 86 ARG HBy H 1 2.045 0.000 A 86 ARG HDx H 1 2.813 0.004 A 86 ARG HDy H 1 2.864 0.001 A 86 ARG HGx H 1 1.475 0.002 A 86 ARG HGy H 1 1.758 0.002 A 86 ARG C C 13 179.766 0.000 A 86 ARG CA C 13 59.526 0.053 A 86 ARG CB C 13 29.799 0.034 A 86 ARG CD C 13 42.974 0.006 A 86 ARG CG C 13 27.228 0.013 A 86 ARG N N 15 120.760 0.009 A 87 GLU H H 1 8.201 0.003 A 87 GLU HA H 1 4.050 0.004 A 87 GLU HBx H 1 2.125 0.004 A 87 GLU HBy H 1 2.125 0.004 A 87 GLU HGx H 1 2.386 0.001 A 87 GLU HGy H 1 2.386 0.001 A 87 GLU C C 13 179.026 0.000 A 87 GLU CA C 13 58.956 0.104 A 87 GLU CB C 13 29.082 0.082 A 87 GLU CG C 13 36.029 0.013 A 87 GLU N N 15 118.897 0.003 A 88 ALA H H 1 8.072 0.002 A 88 ALA HA H 1 4.236 0.003 A 88 ALA HB% H 1 1.816 0.002 A 88 ALA C C 13 179.452 0.000 A 88 ALA CA C 13 55.186 0.015 A 88 ALA CB C 13 17.862 0.022 A 88 ALA N N 15 122.582 0.007 A 89 PHE H H 1 8.454 0.002 A 89 PHE HA H 1 3.090 0.002 A 89 PHE HBx H 1 3.037 0.000 A 89 PHE HBy H 1 3.152 0.000 A 89 PHE HDx H 1 6.669 0.001 A 89 PHE HDy H 1 6.669 0.001 A 89 PHE HEx H 1 6.979 0.001 A 89 PHE HEy H 1 6.979 0.001 A 89 PHE HZ H 1 7.094 0.000 A 89 PHE C C 13 176.756 0.000 A 89 PHE CA C 13 62.020 0.023 A 89 PHE CB C 13 39.450 0.017 A 89 PHE CDx C 13 131.785 0.000 A 89 PHE CDy C 13 131.785 0.000 A 89 PHE CEx C 13 131.238 0.000 A 89 PHE CEy C 13 131.238 0.000 A 89 PHE CZ C 13 129.558 0.000 A 89 PHE N N 15 118.972 0.002 A 90 LYS H H 1 7.590 0.002 A 90 LYS HA H 1 3.845 0.003 A 90 LYS HBx H 1 1.914 0.005 A 90 LYS HBy H 1 1.914 0.005 A 90 LYS HDx H 1 1.686 0.003 A 90 LYS HDy H 1 1.686 0.003 A 90 LYS HEx H 1 2.909 0.000 A 90 LYS HEy H 1 2.909 0.000 A 90 LYS HGx H 1 1.510 0.001 A 90 LYS HGy H 1 1.766 0.000 A 90 LYS C C 13 178.112 0.000 A 90 LYS CA C 13 59.094 0.024 A 90 LYS CB C 13 32.665 0.034 A 90 LYS CD C 13 29.723 0.065 A 90 LYS CE C 13 42.044 0.008 A 90 LYS CG C 13 25.558 0.030 A 90 LYS N N 15 115.581 0.003 A 91 ILE H H 1 7.352 0.003 A 91 ILE HA H 1 3.583 0.002 A 91 ILE HB H 1 2.032 0.002 A 91 ILE HD1% H 1 0.816 0.002 A 91 ILE HG1x H 1 1.221 0.001 A 91 ILE HG1y H 1 1.646 0.004 A 91 ILE HG2% H 1 0.637 0.001 A 91 ILE C C 13 177.444 0.000 A 91 ILE CA C 13 63.590 0.032 A 91 ILE CB C 13 37.351 0.020 A 91 ILE CD1 C 13 12.350 0.012 A 91 ILE CG1 C 13 28.574 0.030 A 91 ILE CG2 C 13 16.914 0.037 A 91 ILE N N 15 117.944 0.004 A 92 PHE H H 1 7.251 0.003 A 92 PHE HA H 1 4.229 0.003 A 92 PHE HBx H 1 2.589 0.000 A 92 PHE HBy H 1 2.621 0.000 A 92 PHE HDx H 1 7.294 0.001 A 92 PHE HDy H 1 7.294 0.001 A 92 PHE HEx H 1 7.390 0.000 A 92 PHE HEy H 1 7.390 0.000 A 92 PHE HZ H 1 7.334 0.000 A 92 PHE C C 13 176.824 0.000 A 92 PHE CA C 13 59.937 0.014 A 92 PHE CB C 13 40.792 0.011 A 92 PHE CDx C 13 131.797 0.000 A 92 PHE CDy C 13 131.797 0.000 A 92 PHE CEx C 13 131.252 0.000 A 92 PHE CEy C 13 131.252 0.000 A 92 PHE CZ C 13 130.068 0.000 A 92 PHE N N 15 117.116 0.005 A 93 ASP H H 1 7.808 0.002 A 93 ASP HA H 1 4.496 0.003 A 93 ASP HBx H 1 1.402 0.000 A 93 ASP HBy H 1 2.278 0.000 A 93 ASP C C 13 177.053 0.000 A 93 ASP CA C 13 52.150 0.020 A 93 ASP CB C 13 38.384 0.022 A 93 ASP N N 15 116.681 0.008 A 94 ARG H H 1 7.558 0.003 A 94 ARG HA H 1 3.855 0.004 A 94 ARG HBy H 1 1.843 0.000 A 94 ARG HBx H 1 1.705 0.000 A 94 ARG HDx H 1 2.967 0.000 A 94 ARG HDy H 1 3.121 0.004 A 94 ARG HGx H 1 1.605 0.001 A 94 ARG HGy H 1 1.704 0.002 A 94 ARG C C 13 178.283 0.000 A 94 ARG CA C 13 58.787 0.026 A 94 ARG CB C 13 30.508 0.007 A 94 ARG CD C 13 42.983 0.042 A 94 ARG CG C 13 27.000 0.008 A 94 ARG N N 15 124.531 0.004 A 95 ASP H H 1 8.239 0.004 A 95 ASP HA H 1 4.546 0.004 A 95 ASP HBy H 1 3.053 0.000 A 95 ASP HBx H 1 2.577 0.000 A 95 ASP C C 13 177.941 0.000 A 95 ASP CA C 13 52.994 0.025 A 95 ASP CB C 13 39.907 0.034 A 95 ASP N N 15 114.117 0.004 A 96 GLY H H 1 7.677 0.002 A 96 GLY HAx H 1 3.802 0.001 A 96 GLY HAy H 1 3.885 0.008 A 96 GLY C C 13 175.259 0.000 A 96 GLY CA C 13 47.400 0.011 A 96 GLY N N 15 109.842 0.003 A 97 ASP H H 1 8.488 0.003 A 97 ASP HA H 1 4.468 0.002 A 97 ASP HBx H 1 2.568 0.000 A 97 ASP HBy H 1 3.144 0.000 A 97 ASP C C 13 176.840 0.000 A 97 ASP CA C 13 54.050 0.017 A 97 ASP CB C 13 40.436 0.021 A 97 ASP N N 15 121.034 0.025 A 98 GLY H H 1 10.408 0.003 A 98 GLY HAx H 1 3.418 0.004 A 98 GLY HAy H 1 4.010 0.003 A 98 GLY C C 13 172.505 0.006 A 98 GLY CA C 13 45.000 0.026 A 98 GLY N N 15 112.397 0.002 A 99 PHE H H 1 8.160 0.004 A 99 PHE HA H 1 5.158 0.004 A 99 PHE HBx H 1 2.735 0.000 A 99 PHE HBy H 1 2.817 0.000 A 99 PHE HDx H 1 6.899 0.004 A 99 PHE HDy H 1 6.899 0.004 A 99 PHE HEx H 1 7.436 0.000 A 99 PHE HEy H 1 7.436 0.000 A 99 PHE HZ H 1 7.269 0.000 A 99 PHE C C 13 174.678 0.000 A 99 PHE CA C 13 56.158 0.011 A 99 PHE CB C 13 44.466 0.024 A 99 PHE CDx C 13 132.334 0.000 A 99 PHE CDy C 13 132.334 0.000 A 99 PHE CEx C 13 131.472 0.000 A 99 PHE CEy C 13 131.472 0.000 A 99 PHE CZ C 13 129.990 0.000 A 99 PHE N N 15 117.085 0.009 A 100 ILE H H 1 10.273 0.003 A 100 ILE HA H 1 4.751 0.000 A 100 ILE HB H 1 1.935 0.001 A 100 ILE HD1% H 1 0.340 0.002 A 100 ILE HG1x H 1 0.202 0.001 A 100 ILE HG1y H 1 1.240 0.001 A 100 ILE HG2% H 1 0.957 0.001 A 100 ILE C C 13 175.682 0.000 A 100 ILE CA C 13 60.572 0.018 A 100 ILE CB C 13 38.817 0.008 A 100 ILE CD1 C 13 16.075 0.005 A 100 ILE CG1 C 13 26.847 0.011 A 100 ILE CG2 C 13 18.071 0.006 A 100 ILE N N 15 126.340 0.004 A 101 SER H H 1 9.527 0.003 A 101 SER HA H 1 5.091 0.003 A 101 SER HBy H 1 4.423 0.003 A 101 SER HBx H 1 3.992 0.001 A 101 SER C C 13 173.596 0.000 A 101 SER CA C 13 55.898 0.016 A 101 SER CB C 13 63.612 0.003 A 101 SER N N 15 125.969 0.004 A 102 PRO HA H 1 4.112 0.002 A 102 PRO HBx H 1 2.015 0.002 A 102 PRO HBy H 1 2.363 0.001 A 102 PRO HDx H 1 3.999 0.000 A 102 PRO HDy H 1 4.056 0.000 A 102 PRO HGx H 1 2.083 0.000 A 102 PRO HGy H 1 2.349 0.004 A 102 PRO C C 13 178.363 0.000 A 102 PRO CA C 13 66.529 0.026 A 102 PRO CB C 13 31.451 0.018 A 102 PRO CD C 13 49.940 0.000 A 102 PRO CG C 13 28.515 0.015 A 103 ALA H H 1 8.003 0.002 A 103 ALA HA H 1 4.087 0.003 A 103 ALA HB% H 1 1.409 0.001 A 103 ALA C C 13 181.590 0.000 A 103 ALA CA C 13 55.162 0.021 A 103 ALA CB C 13 18.517 0.105 A 103 ALA N N 15 117.252 0.004 A 104 GLU H H 1 7.979 0.002 A 104 GLU HA H 1 4.053 0.007 A 104 GLU HBx H 1 2.632 0.000 A 104 GLU HBy H 1 2.652 0.008 A 104 GLU HGx H 1 2.240 0.000 A 104 GLU HGy H 1 2.240 0.000 A 104 GLU C C 13 178.819 0.000 A 104 GLU CA C 13 59.457 0.036 A 104 GLU CB C 13 29.265 0.045 A 104 GLU CG C 13 38.024 0.000 A 104 GLU N N 15 121.099 0.003 A 105 LEU H H 1 8.531 0.002 A 105 LEU HA H 1 4.146 0.003 A 105 LEU HBy H 1 1.945 0.005 A 105 LEU HBx H 1 1.508 0.000 A 105 LEU HDx% H 1 0.954 0.000 A 105 LEU HDy% H 1 0.942 0.001 A 105 LEU HG H 1 1.673 0.002 A 105 LEU C C 13 178.391 0.000 A 105 LEU CA C 13 58.400 0.017 A 105 LEU CB C 13 42.128 0.011 A 105 LEU CDx C 13 24.266 0.009 A 105 LEU CDy C 13 26.492 0.004 A 105 LEU CG C 13 27.120 0.000 A 105 LEU N N 15 120.758 0.004 A 106 ARG H H 1 8.320 0.002 A 106 ARG HA H 1 3.759 0.002 A 106 ARG HBx H 1 1.900 0.001 A 106 ARG HBy H 1 1.900 0.001 A 106 ARG HDx H 1 3.172 0.000 A 106 ARG HDy H 1 3.227 0.000 A 106 ARG HGx H 1 1.604 0.001 A 106 ARG HGy H 1 1.604 0.001 A 106 ARG C C 13 177.174 0.000 A 106 ARG CA C 13 60.228 0.024 A 106 ARG CB C 13 30.582 0.019 A 106 ARG CD C 13 43.445 0.000 A 106 ARG CG C 13 28.165 0.025 A 106 ARG N N 15 117.083 0.004 A 107 PHE H H 1 7.853 0.002 A 107 PHE HA H 1 4.063 0.004 A 107 PHE HBx H 1 3.257 0.003 A 107 PHE HBy H 1 3.257 0.003 A 107 PHE HDx H 1 7.188 0.000 A 107 PHE HDy H 1 7.188 0.000 A 107 PHE HEx H 1 7.295 0.004 A 107 PHE HEy H 1 7.295 0.004 A 107 PHE C C 13 178.085 0.000 A 107 PHE CA C 13 61.502 0.048 A 107 PHE CB C 13 39.622 0.018 A 107 PHE CDx C 13 131.983 0.000 A 107 PHE CDy C 13 131.983 0.000 A 107 PHE CEx C 13 131.155 0.000 A 107 PHE CEy C 13 131.155 0.000 A 107 PHE N N 15 117.281 0.001 A 108 VAL H H 1 8.054 0.003 A 108 VAL HA H 1 3.435 0.003 A 108 VAL HB H 1 2.002 0.000 A 108 VAL HGx% H 1 0.319 0.002 A 108 VAL HGy% H 1 0.921 0.001 A 108 VAL C C 13 178.125 0.000 A 108 VAL CA C 13 66.543 0.028 A 108 VAL CB C 13 31.770 0.037 A 108 VAL CGx C 13 20.903 0.013 A 108 VAL CGy C 13 23.479 0.013 A 108 VAL N N 15 118.830 0.003 A 109 MET H H 1 8.152 0.003 A 109 MET HA H 1 4.125 0.006 A 109 MET HBy H 1 2.162 0.001 A 109 MET HBx H 1 1.904 0.001 A 109 MET HE% H 1 2.025 0.000 A 109 MET HGx H 1 2.698 0.000 A 109 MET HGy H 1 2.725 0.000 A 109 MET C C 13 178.833 0.000 A 109 MET CA C 13 58.822 0.028 A 109 MET CB C 13 31.901 0.066 A 109 MET CE C 13 17.774 0.004 A 109 MET CG C 13 33.460 0.013 A 109 MET N N 15 116.781 0.003 A 110 ILE H H 1 8.223 0.002 A 110 ILE HA H 1 3.949 0.003 A 110 ILE HB H 1 1.857 0.003 A 110 ILE HD1% H 1 0.824 0.001 A 110 ILE HG1x H 1 1.244 0.000 A 110 ILE HG1y H 1 1.621 0.001 A 110 ILE HG2% H 1 0.822 0.001 A 110 ILE C C 13 180.408 0.000 A 110 ILE CA C 13 64.202 0.018 A 110 ILE CB C 13 37.355 0.032 A 110 ILE CD1 C 13 12.976 0.012 A 110 ILE CG1 C 13 29.019 0.018 A 110 ILE CG2 C 13 17.079 0.022 A 110 ILE N N 15 118.497 0.011 A 111 ASN H H 1 7.769 0.002 A 111 ASN HA H 1 4.359 0.001 A 111 ASN HBx H 1 2.559 0.003 A 111 ASN HBy H 1 2.622 0.001 A 111 ASN HD2x H 1 6.155 0.000 A 111 ASN HD2y H 1 7.196 0.000 A 111 ASN C C 13 176.873 0.000 A 111 ASN CA C 13 56.075 0.014 A 111 ASN CB C 13 38.599 0.010 A 111 ASN N N 15 120.946 0.004 A 111 ASN ND2 N 15 112.956 0.001 A 112 LEU H H 1 7.943 0.003 A 112 LEU HA H 1 4.292 0.003 A 112 LEU HBy H 1 1.918 0.003 A 112 LEU HBx H 1 1.680 0.001 A 112 LEU HDx% H 1 0.825 0.001 A 112 LEU HDy% H 1 0.826 0.001 A 112 LEU HG H 1 1.801 0.002 A 112 LEU C C 13 177.832 0.000 A 112 LEU CA C 13 55.546 0.023 A 112 LEU CB C 13 42.447 0.016 A 112 LEU CDy C 13 25.702 0.036 A 112 LEU CDx C 13 22.389 0.012 A 112 LEU CG C 13 26.350 0.080 A 112 LEU N N 15 118.974 0.006 A 113 GLY H H 1 7.881 0.003 A 113 GLY HAx H 1 3.736 0.079 A 113 GLY HAy H 1 4.162 0.001 A 113 GLY C C 13 174.694 0.000 A 113 GLY CA C 13 45.458 0.025 A 113 GLY N N 15 107.290 0.003 A 114 GLU H H 1 7.872 0.005 A 114 GLU HA H 1 4.314 0.003 A 114 GLU HBx H 1 1.735 0.002 A 114 GLU HBy H 1 1.969 0.000 A 114 GLU HGx H 1 2.117 0.000 A 114 GLU HGy H 1 2.260 0.000 A 114 GLU C C 13 176.088 0.000 A 114 GLU CA C 13 55.651 0.011 A 114 GLU CB C 13 30.473 0.004 A 114 GLU CG C 13 35.692 0.000 A 114 GLU N N 15 119.707 0.042 A 115 LYS H H 1 8.629 0.002 A 115 LYS HA H 1 4.367 0.004 A 115 LYS HBx H 1 1.713 0.000 A 115 LYS HBy H 1 1.767 0.000 A 115 LYS HDx H 1 1.641 0.000 A 115 LYS HDy H 1 1.641 0.000 A 115 LYS HEx H 1 2.966 0.000 A 115 LYS HEy H 1 2.966 0.000 A 115 LYS HGx H 1 1.326 0.000 A 115 LYS HGy H 1 1.417 0.000 A 115 LYS C C 13 175.693 0.000 A 115 LYS CA C 13 55.609 0.020 A 115 LYS CB C 13 31.522 0.021 A 115 LYS CD C 13 29.005 0.065 A 115 LYS CE C 13 42.185 0.045 A 115 LYS CG C 13 24.613 0.017 A 115 LYS N N 15 123.868 0.002 A 116 VAL H H 1 7.675 0.002 A 116 VAL HA H 1 4.639 0.003 A 116 VAL HB H 1 2.018 0.000 A 116 VAL HGx% H 1 0.883 0.001 A 116 VAL HGy% H 1 0.885 0.001 A 116 VAL C C 13 175.644 0.000 A 116 VAL CA C 13 60.082 0.023 A 116 VAL CB C 13 34.649 0.016 A 116 VAL CGx C 13 20.234 0.026 A 116 VAL CGy C 13 21.764 0.011 A 116 VAL N N 15 119.622 0.008 A 117 THR H H 1 8.611 0.002 A 117 THR HA H 1 4.578 0.003 A 117 THR HB H 1 4.708 0.003 A 117 THR HG2% H 1 1.284 0.001 A 117 THR C C 13 175.455 0.000 A 117 THR CA C 13 60.302 0.048 A 117 THR CB C 13 71.728 0.039 A 117 THR CG2 C 13 21.649 0.122 A 117 THR N N 15 115.954 0.004 A 118 ASP H H 1 8.888 0.001 A 118 ASP HA H 1 4.264 0.003 A 118 ASP HBx H 1 2.552 0.000 A 118 ASP HBy H 1 2.735 0.000 A 118 ASP C C 13 178.555 0.000 A 118 ASP CA C 13 58.009 0.022 A 118 ASP CB C 13 39.950 0.012 A 118 ASP N N 15 121.264 0.005 A 119 GLU H H 1 8.779 0.002 A 119 GLU HA H 1 4.091 0.003 A 119 GLU HBy H 1 2.048 0.000 A 119 GLU HBx H 1 1.951 0.001 A 119 GLU HGx H 1 2.311 0.000 A 119 GLU HGy H 1 2.416 0.000 A 119 GLU C C 13 179.323 0.000 A 119 GLU CA C 13 60.156 0.019 A 119 GLU CB C 13 28.969 0.045 A 119 GLU CG C 13 37.026 0.008 A 119 GLU N N 15 119.229 0.004 A 120 GLU H H 1 7.727 0.002 A 120 GLU HA H 1 4.003 0.003 A 120 GLU HBx H 1 1.919 0.000 A 120 GLU HBy H 1 2.354 0.004 A 120 GLU HGx H 1 2.272 0.000 A 120 GLU HGy H 1 2.272 0.000 A 120 GLU C C 13 179.876 0.000 A 120 GLU CA C 13 59.236 0.048 A 120 GLU CB C 13 30.007 0.036 A 120 GLU CG C 13 37.763 0.000 A 120 GLU N N 15 120.564 0.001 A 121 ILE H H 1 7.959 0.002 A 121 ILE HA H 1 3.807 0.003 A 121 ILE HB H 1 2.252 0.000 A 121 ILE HD1% H 1 0.769 0.001 A 121 ILE HG1x H 1 1.434 0.000 A 121 ILE HG1y H 1 1.486 0.000 A 121 ILE HG2% H 1 0.970 0.001 A 121 ILE C C 13 177.367 0.000 A 121 ILE CA C 13 63.415 0.024 A 121 ILE CB C 13 36.167 0.035 A 121 ILE CD1 C 13 11.288 0.036 A 121 ILE CG1 C 13 28.029 0.000 A 121 ILE CG2 C 13 17.503 0.014 A 121 ILE N N 15 121.687 0.002 A 122 ASP H H 1 8.049 0.002 A 122 ASP HA H 1 4.326 0.002 A 122 ASP HBx H 1 2.634 0.000 A 122 ASP HBy H 1 2.775 0.000 A 122 ASP C C 13 179.305 0.000 A 122 ASP CA C 13 57.718 0.018 A 122 ASP CB C 13 40.446 0.010 A 122 ASP N N 15 119.271 0.004 A 123 GLU H H 1 7.860 0.002 A 123 GLU HA H 1 4.050 0.008 A 123 GLU HBx H 1 2.082 0.003 A 123 GLU HBy H 1 2.082 0.003 A 123 GLU HGx H 1 2.298 0.000 A 123 GLU HGy H 1 2.346 0.000 A 123 GLU C C 13 178.035 0.000 A 123 GLU CA C 13 59.178 0.055 A 123 GLU CB C 13 29.543 0.029 A 123 GLU CG C 13 36.080 0.000 A 123 GLU N N 15 119.536 0.017 A 124 MET H H 1 8.040 0.003 A 124 MET HA H 1 4.100 0.003 A 124 MET HBx H 1 2.099 0.003 A 124 MET HBy H 1 2.335 0.000 A 124 MET HE% H 1 2.069 0.001 A 124 MET HGx H 1 2.652 0.000 A 124 MET HGy H 1 2.755 0.000 A 124 MET C C 13 179.183 0.000 A 124 MET CA C 13 59.350 0.057 A 124 MET CB C 13 33.565 0.059 A 124 MET CE C 13 16.897 0.006 A 124 MET CG C 13 32.183 0.037 A 124 MET N N 15 119.924 0.003 A 125 ILE H H 1 7.999 0.002 A 125 ILE HA H 1 3.546 0.003 A 125 ILE HB H 1 2.023 0.002 A 125 ILE HD1% H 1 0.773 0.002 A 125 ILE HG1x H 1 1.118 0.001 A 125 ILE HG1y H 1 1.684 0.001 A 125 ILE HG2% H 1 0.699 0.001 A 125 ILE C C 13 176.835 0.000 A 125 ILE CA C 13 64.396 0.019 A 125 ILE CB C 13 37.051 0.029 A 125 ILE CD1 C 13 12.530 0.013 A 125 ILE CG1 C 13 28.658 0.019 A 125 ILE CG2 C 13 15.965 0.017 A 125 ILE N N 15 118.003 0.006 A 126 ARG H H 1 8.075 0.004 A 126 ARG HA H 1 3.916 0.003 A 126 ARG HBx H 1 1.841 0.000 A 126 ARG HBy H 1 1.914 0.001 A 126 ARG HDx H 1 3.200 0.001 A 126 ARG HDy H 1 3.200 0.001 A 126 ARG HGx H 1 1.595 0.000 A 126 ARG HGy H 1 1.738 0.001 A 126 ARG C C 13 179.508 0.000 A 126 ARG CA C 13 59.738 0.017 A 126 ARG CB C 13 30.195 0.023 A 126 ARG CD C 13 43.356 0.000 A 126 ARG CG C 13 27.728 0.006 A 126 ARG N N 15 117.603 0.009 A 127 GLU H H 1 7.869 0.002 A 127 GLU HA H 1 3.900 0.004 A 127 GLU HBx H 1 2.134 0.002 A 127 GLU HBy H 1 2.134 0.002 A 127 GLU HGx H 1 2.379 0.000 A 127 GLU HGy H 1 2.499 0.000 A 127 GLU C C 13 176.573 0.000 A 127 GLU CA C 13 58.697 0.023 A 127 GLU CB C 13 30.072 0.029 A 127 GLU CG C 13 36.643 0.000 A 127 GLU N N 15 115.798 0.003 A 128 ALA H H 1 7.130 0.003 A 128 ALA HA H 1 4.149 0.003 A 128 ALA HB% H 1 1.503 0.002 A 128 ALA C C 13 175.809 0.000 A 128 ALA CA C 13 51.753 0.024 A 128 ALA CB C 13 20.722 0.009 A 128 ALA N N 15 118.030 0.005 A 129 ASP H H 1 7.473 0.002 A 129 ASP HA H 1 4.540 0.004 A 129 ASP HBx H 1 2.421 0.000 A 129 ASP HBy H 1 2.693 0.000 A 129 ASP C C 13 177.575 0.000 A 129 ASP CA C 13 53.008 0.016 A 129 ASP CB C 13 39.546 0.010 A 129 ASP N N 15 115.354 0.002 A 130 PHE H H 1 8.217 0.003 A 130 PHE HA H 1 4.316 0.003 A 130 PHE HBx H 1 3.022 0.000 A 130 PHE HBy H 1 3.170 0.000 A 130 PHE HDx H 1 7.082 0.000 A 130 PHE HDy H 1 7.082 0.000 A 130 PHE HEx H 1 6.807 0.006 A 130 PHE HEy H 1 6.807 0.006 A 130 PHE HZ H 1 6.069 0.000 A 130 PHE C C 13 177.920 0.000 A 130 PHE CA C 13 59.551 0.022 A 130 PHE CB C 13 38.967 0.015 A 130 PHE CDx C 13 131.048 0.000 A 130 PHE CDy C 13 131.048 0.000 A 130 PHE CEx C 13 131.285 0.000 A 130 PHE CEy C 13 131.285 0.000 A 130 PHE CZ C 13 129.565 0.000 A 130 PHE N N 15 126.603 0.004 A 131 ASP H H 1 8.202 0.003 A 131 ASP HA H 1 4.621 0.002 A 131 ASP HBy H 1 3.080 0.000 A 131 ASP HBx H 1 2.652 0.000 A 131 ASP C C 13 178.374 0.000 A 131 ASP CA C 13 53.360 0.016 A 131 ASP CB C 13 39.831 0.008 A 131 ASP N N 15 114.915 0.010 A 132 GLY H H 1 7.515 0.002 A 132 GLY HAx H 1 3.783 0.005 A 132 GLY HAy H 1 3.880 0.001 A 132 GLY C C 13 175.196 0.000 A 132 GLY CA C 13 47.549 0.008 A 132 GLY N N 15 108.567 0.004 A 133 ASP H H 1 8.281 0.003 A 133 ASP HA H 1 4.429 0.008 A 133 ASP HBy H 1 2.857 0.000 A 133 ASP HBx H 1 2.393 0.000 A 133 ASP C C 13 177.403 0.000 A 133 ASP CA C 13 53.650 0.028 A 133 ASP CB C 13 40.129 0.042 A 133 ASP N N 15 120.774 0.002 A 134 GLY H H 1 10.541 0.003 A 134 GLY HAx H 1 3.335 0.002 A 134 GLY HAy H 1 3.948 0.008 A 134 GLY C C 13 173.004 0.000 A 134 GLY CA C 13 45.639 0.034 A 134 GLY N N 15 113.705 0.002 A 135 MET H H 1 7.942 0.003 A 135 MET HA H 1 4.884 0.004 A 135 MET HBy H 1 1.803 0.000 A 135 MET HBx H 1 1.673 0.002 A 135 MET HE% H 1 1.742 0.001 A 135 MET HGx H 1 2.135 0.000 A 135 MET HGy H 1 2.135 0.000 A 135 MET C C 13 174.962 0.000 A 135 MET CA C 13 52.453 0.019 A 135 MET CB C 13 37.342 0.023 A 135 MET CE C 13 18.125 0.002 A 135 MET CG C 13 32.275 0.011 A 135 MET N N 15 115.725 0.003 A 136 ILE H H 1 9.071 0.003 A 136 ILE HA H 1 5.393 0.005 A 136 ILE HB H 1 2.335 0.002 A 136 ILE HD1% H 1 0.802 0.002 A 136 ILE HG1y H 1 1.358 0.000 A 136 ILE HG1x H 1 1.324 0.001 A 136 ILE HG2% H 1 1.283 0.002 A 136 ILE C C 13 176.276 0.000 A 136 ILE CA C 13 58.400 0.033 A 136 ILE CB C 13 38.126 0.058 A 136 ILE CD1 C 13 11.452 0.011 A 136 ILE CG1 C 13 26.857 0.007 A 136 ILE CG2 C 13 17.866 0.015 A 136 ILE N N 15 125.051 0.004 A 137 ASN H H 1 9.414 0.005 A 137 ASN HA H 1 5.196 0.005 A 137 ASN HBx H 1 3.331 0.000 A 137 ASN HBy H 1 3.331 0.000 A 137 ASN HD2x H 1 6.722 0.000 A 137 ASN HD2y H 1 7.226 0.000 A 137 ASN C C 13 175.064 0.000 A 137 ASN CA C 13 51.159 0.016 A 137 ASN CB C 13 38.078 0.006 A 137 ASN N N 15 129.189 0.004 A 137 ASN ND2 N 15 107.848 0.003 A 138 TYR H H 1 8.390 0.003 A 138 TYR HA H 1 3.545 0.002 A 138 TYR HBx H 1 2.013 0.000 A 138 TYR HBy H 1 2.360 0.000 A 138 TYR HDx H 1 6.431 0.000 A 138 TYR HDy H 1 6.431 0.000 A 138 TYR HEx H 1 6.518 0.002 A 138 TYR HEy H 1 6.518 0.002 A 138 TYR C C 13 175.886 0.000 A 138 TYR CA C 13 62.914 0.019 A 138 TYR CB C 13 37.770 0.016 A 138 TYR CDx C 13 132.513 0.000 A 138 TYR CDy C 13 132.513 0.000 A 138 TYR CEx C 13 117.990 0.000 A 138 TYR CEy C 13 117.990 0.000 A 138 TYR N N 15 118.003 0.005 A 139 GLU H H 1 8.021 0.003 A 139 GLU HA H 1 3.664 0.002 A 139 GLU HBx H 1 1.984 0.000 A 139 GLU HBy H 1 2.121 0.000 A 139 GLU HGx H 1 2.314 0.000 A 139 GLU HGy H 1 2.394 0.000 A 139 GLU C C 13 180.497 0.000 A 139 GLU CA C 13 60.546 0.020 A 139 GLU CB C 13 29.117 0.123 A 139 GLU CG C 13 37.496 0.006 A 139 GLU N N 15 118.063 0.005 A 140 GLU H H 1 8.623 0.002 A 140 GLU HA H 1 4.115 0.004 A 140 GLU HBy H 1 2.471 0.001 A 140 GLU HBx H 1 2.285 0.006 A 140 GLU HGx H 1 2.464 0.000 A 140 GLU HGy H 1 2.754 0.000 A 140 GLU C C 13 178.354 0.000 A 140 GLU CA C 13 58.765 0.027 A 140 GLU CB C 13 29.768 0.070 A 140 GLU CG C 13 37.154 0.069 A 140 GLU N N 15 121.485 0.003 A 141 PHE H H 1 8.925 0.002 A 141 PHE HA H 1 4.061 0.004 A 141 PHE HBx H 1 3.230 0.003 A 141 PHE HBy H 1 3.562 0.002 A 141 PHE HDx H 1 6.914 0.005 A 141 PHE HDy H 1 6.914 0.005 A 141 PHE HEx H 1 6.957 0.044 A 141 PHE HEy H 1 6.957 0.044 A 141 PHE HZ H 1 7.333 0.000 A 141 PHE C C 13 176.250 0.000 A 141 PHE CA C 13 61.396 0.067 A 141 PHE CB C 13 39.500 0.050 A 141 PHE CDx C 13 132.187 0.000 A 141 PHE CDy C 13 132.187 0.000 A 141 PHE CEx C 13 129.612 0.000 A 141 PHE CEy C 13 129.612 0.000 A 141 PHE CZ C 13 129.713 0.000 A 141 PHE N N 15 123.197 0.001 A 142 VAL H H 1 8.386 0.003 A 142 VAL HA H 1 3.211 0.002 A 142 VAL HB H 1 1.867 0.001 A 142 VAL HGx% H 1 0.763 0.001 A 142 VAL HGy% H 1 0.579 0.001 A 142 VAL C C 13 179.453 0.000 A 142 VAL CA C 13 66.517 0.041 A 142 VAL CB C 13 31.614 0.025 A 142 VAL CGx C 13 21.151 0.012 A 142 VAL CGy C 13 22.555 0.022 A 142 VAL N N 15 119.037 0.004 A 143 TRP H H 1 7.634 0.002 A 143 TRP HA H 1 4.036 0.003 A 143 TRP HBx H 1 3.335 0.000 A 143 TRP HBy H 1 3.712 0.003 A 143 TRP HD1 H 1 7.257 0.000 A 143 TRP HE1 H 1 10.101 0.000 A 143 TRP HE3 H 1 7.482 0.000 A 143 TRP HH2 H 1 7.133 0.000 A 143 TRP HZ2 H 1 7.450 0.000 A 143 TRP HZ3 H 1 7.007 0.000 A 143 TRP C C 13 178.558 0.000 A 143 TRP CA C 13 61.991 0.024 A 143 TRP CB C 13 28.637 0.010 A 143 TRP CD1 C 13 127.082 0.000 A 143 TRP CE3 C 13 120.170 0.000 A 143 TRP CH2 C 13 124.628 0.000 A 143 TRP CZ2 C 13 114.641 0.000 A 143 TRP CZ3 C 13 121.805 0.000 A 143 TRP N N 15 120.780 0.006 A 143 TRP NE1 N 15 129.222 0.000 A 144 MET H H 1 8.695 0.002 A 144 MET HA H 1 3.705 0.001 A 144 MET HBx H 1 2.268 0.002 A 144 MET HBy H 1 2.268 0.002 A 144 MET HE% H 1 1.909 0.001 A 144 MET HGx H 1 2.277 0.001 A 144 MET HGy H 1 2.626 0.000 A 144 MET C C 13 179.016 0.000 A 144 MET CA C 13 59.599 0.032 A 144 MET CB C 13 34.068 0.061 A 144 MET CE C 13 16.951 0.005 A 144 MET CG C 13 31.528 0.005 A 144 MET N N 15 120.703 0.003 A 145 ILE H H 1 8.217 0.002 A 145 ILE HA H 1 3.846 0.002 A 145 ILE HB H 1 1.531 0.002 A 145 ILE HD1% H 1 0.459 0.001 A 145 ILE HG1y H 1 0.838 0.001 A 145 ILE HG1x H 1 0.786 0.000 A 145 ILE HG2% H 1 0.475 0.001 A 145 ILE C C 13 177.629 0.000 A 145 ILE CA C 13 61.751 0.019 A 145 ILE CB C 13 37.276 0.025 A 145 ILE CD1 C 13 12.355 0.010 A 145 ILE CG1 C 13 26.754 0.000 A 145 ILE CG2 C 13 18.027 0.012 A 145 ILE N N 15 115.175 0.015 A 146 SER H H 1 7.529 0.002 A 146 SER HA H 1 4.290 0.002 A 146 SER HBx H 1 3.798 0.003 A 146 SER HBy H 1 3.798 0.003 A 146 SER C C 13 174.268 0.000 A 146 SER CA C 13 59.686 0.013 A 146 SER CB C 13 63.699 0.027 A 146 SER N N 15 116.098 0.005 A 147 GLN H H 1 7.335 0.003 A 147 GLN HA H 1 3.964 0.002 A 147 GLN HBy H 1 1.905 0.001 A 147 GLN HBx H 1 1.626 0.000 A 147 GLN HE2y H 1 6.695 0.000 A 147 GLN HE2x H 1 6.262 0.000 A 147 GLN HGx H 1 1.585 0.000 A 147 GLN HGy H 1 1.797 0.000 A 147 GLN C C 13 175.127 0.000 A 147 GLN CA C 13 55.357 0.016 A 147 GLN CB C 13 28.662 0.002 A 147 GLN CG C 13 32.747 0.000 A 147 GLN N N 15 119.677 0.004 A 147 GLN NE2 N 15 113.548 0.000 A 148 LYS H H 1 7.410 0.002 A 148 LYS HA H 1 3.993 0.001 A 148 LYS HBx H 1 1.573 0.000 A 148 LYS HBy H 1 1.721 0.000 A 148 LYS HDx H 1 1.526 0.000 A 148 LYS HDy H 1 1.526 0.000 A 148 LYS HEx H 1 2.803 0.000 A 148 LYS HEy H 1 2.803 0.000 A 148 LYS HGx H 1 1.281 0.001 A 148 LYS HGy H 1 1.281 0.001 A 148 LYS C C 13 181.291 0.000 A 148 LYS CA C 13 57.625 0.029 A 148 LYS CB C 13 33.314 0.006 A 148 LYS CD C 13 28.884 0.027 A 148 LYS CE C 13 42.051 0.000 A 148 LYS CG C 13 24.559 0.011 A 148 LYS N N 15 126.334 0.017 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 SER N A 2 SER CA A 2 SER CB A 2 SER OG 1.0 150.0 210.0 CHI1 2 2 A 3 GLU HA A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 150.0 210.0 . 3 3 A 7 GLU HA A 7 GLU CA A 7 GLU CB A 7 GLU CG 1.0 150.0 210.0 . 4 4 A 8 GLN N A 8 GLN CA A 8 GLN CB A 8 GLN CG 1.0 150.0 210.0 CHI1 5 5 A 11 GLU N A 11 GLU CA A 11 GLU CB A 11 GLU CG 1.0 150.0 210.0 CHI1 6 6 A 12 PHE C A 12 PHE CA A 12 PHE CB A 12 PHE CG 1.0 150.0 210.0 . 7 7 A 16 PHE N A 16 PHE CA A 16 PHE CB A 16 PHE CG 1.0 150.0 210.0 CHI1 8 8 A 18 GLN C A 18 GLN CA A 18 GLN CB A 18 GLN CG 1.0 150.0 210.0 . 9 9 A 19 PHE C A 19 PHE CA A 19 PHE CB A 19 PHE CG 1.0 150.0 210.0 . 10 10 A 20 ASP N A 20 ASP CA A 20 ASP CB A 20 ASP CG 1.0 150.0 210.0 CHI1 11 11 A 22 GLU C A 22 GLU CA A 22 GLU CB A 22 GLU CG 1.0 150.0 210.0 . 12 12 A 30 ARG N A 30 ARG CA A 30 ARG CB A 30 ARG CG 1.0 150.0 210.0 CHI1 13 13 A 32 LEU N A 32 LEU CA A 32 LEU CB A 32 LEU CG 1.0 150.0 210.0 CHI1 14 14 A 35 LEU HA A 35 LEU CA A 35 LEU CB A 35 LEU CG 1.0 150.0 210.0 . 15 15 A 37 ARG C A 37 ARG CA A 37 ARG CB A 37 ARG CG 1.0 150.0 210.0 . 16 16 A 39 LEU C A 39 LEU CA A 39 LEU CB A 39 LEU CG 1.0 150.0 210.0 . 17 17 A 41 GLN C A 41 GLN CA A 41 GLN CB A 41 GLN CG 1.0 150.0 210.0 . 18 18 A 42 ASN C A 42 ASN CA A 42 ASN CB A 42 ASN CG 1.0 150.0 210.0 . 19 19 A 47 GLU N A 47 GLU CA A 47 GLU CB A 47 GLU CG 1.0 150.0 210.0 CHI1 20 20 A 49 GLN HA A 49 GLN CA A 49 GLN CB A 49 GLN CG 1.0 150.0 210.0 . 21 21 A 51 LEU C A 51 LEU CA A 51 LEU CB A 51 LEU CG 1.0 150.0 210.0 . 22 22 A 54 GLU N A 54 GLU CA A 54 GLU CB A 54 GLU CG 1.0 150.0 210.0 CHI1 23 23 A 57 ASN N A 57 ASN CA A 57 ASN CB A 57 ASN CG 1.0 150.0 210.0 CHI1 24 24 A 62 GLN C A 62 GLN CA A 62 GLN CB A 62 GLN CG 1.0 150.0 210.0 . 25 25 A 64 ASN HA A 64 ASN CA A 64 ASN CB A 64 ASN CG 1.0 150.0 210.0 . 26 26 A 67 GLU C A 67 GLU CA A 67 GLU CB A 67 GLU CG 1.0 150.0 210.0 . 27 27 A 68 PHE N A 68 PHE CA A 68 PHE CB A 68 PHE CG 1.0 150.0 210.0 CHI1 28 28 A 72 MET C A 72 MET CA A 72 MET CB A 72 MET CG 1.0 150.0 210.0 . 29 29 A 76 MET C A 76 MET CA A 76 MET CB A 76 MET CG 1.0 150.0 210.0 . 30 30 A 78 GLU HA A 78 GLU CA A 78 GLU CB A 78 GLU CG 1.0 150.0 210.0 . 31 31 A 82 GLU HA A 82 GLU CA A 82 GLU CB A 82 GLU CG 1.0 150.0 210.0 . 32 32 A 93 ASP N A 93 ASP CA A 93 ASP CB A 93 ASP CG 1.0 150.0 210.0 CHI1 33 33 A 94 ARG HA A 94 ARG CA A 94 ARG CB A 94 ARG CG 1.0 150.0 210.0 . 34 34 A 95 ASP HA A 95 ASP CA A 95 ASP CB A 95 ASP CG 1.0 150.0 210.0 . 35 35 A 99 PHE C A 99 PHE CA A 99 PHE CB A 99 PHE CG 1.0 150.0 210.0 . 36 36 A 105 LEU N A 105 LEU CA A 105 LEU CB A 105 LEU CG 1.0 150.0 210.0 CHI1 37 37 A 107 PHE N A 107 PHE CA A 107 PHE CB A 107 PHE CG 1.0 150.0 210.0 CHI1 38 38 A 109 MET C A 109 MET CA A 109 MET CB A 109 MET CG 1.0 150.0 210.0 . 39 39 A 112 LEU C A 112 LEU CA A 112 LEU CB A 112 LEU CG 1.0 150.0 210.0 . 40 40 A 114 GLU C A 114 GLU CA A 114 GLU CB A 114 GLU CG 1.0 150.0 210.0 . 41 41 A 115 LYS HA A 115 LYS CA A 115 LYS CB A 115 LYS CG 1.0 150.0 210.0 . 42 42 A 118 ASP C A 118 ASP CA A 118 ASP CB A 118 ASP CG 1.0 150.0 210.0 . 43 43 A 119 GLU C A 119 GLU CA A 119 GLU CB A 119 GLU CG 1.0 150.0 210.0 . 44 44 A 120 GLU HA A 120 GLU CA A 120 GLU CB A 120 GLU CG 1.0 150.0 210.0 . 45 45 A 122 ASP N A 122 ASP CA A 122 ASP CB A 122 ASP CG 1.0 150.0 210.0 CHI1 46 46 A 123 GLU N A 123 GLU CA A 123 GLU CB A 123 GLU CG 1.0 150.0 210.0 CHI1 47 47 A 124 MET HA A 124 MET CA A 124 MET CB A 124 MET CG 1.0 150.0 210.0 . 48 48 A 126 ARG HA A 126 ARG CA A 126 ARG CB A 126 ARG CG 1.0 150.0 210.0 . 49 49 A 129 ASP N A 129 ASP CA A 129 ASP CB A 129 ASP CG 1.0 150.0 210.0 CHI1 50 50 A 130 PHE C A 130 PHE CA A 130 PHE CB A 130 PHE CG 1.0 150.0 210.0 . 51 51 A 131 ASP HA A 131 ASP CA A 131 ASP CB A 131 ASP CG 1.0 150.0 210.0 . 52 52 A 133 ASP HA A 133 ASP CA A 133 ASP CB A 133 ASP CG 1.0 150.0 210.0 . 53 53 A 135 MET C A 135 MET CA A 135 MET CB A 135 MET CG 1.0 150.0 210.0 . 54 54 A 139 GLU N A 139 GLU CA A 139 GLU CB A 139 GLU CG 1.0 150.0 210.0 CHI1 55 55 A 140 GLU C A 140 GLU CA A 140 GLU CB A 140 GLU CG 1.0 150.0 210.0 . 56 56 A 141 PHE N A 141 PHE CA A 141 PHE CB A 141 PHE CG 1.0 150.0 210.0 CHI1 57 57 A 143 TRP N A 143 TRP CA A 143 TRP CB A 143 TRP CG 1.0 150.0 210.0 CHI1 58 58 A 144 MET N A 144 MET CA A 144 MET CB A 144 MET CG 1.0 150.0 210.0 CHI1 59 59 A 147 GLN HA A 147 GLN CA A 147 GLN CB A 147 GLN CG 1.0 150.0 210.0 . 60 60 A 148 LYS C A 148 LYS CA A 148 LYS CB A 148 LYS CG 1.0 150.0 210.0 . 61 61 A 9 ILE N A 9 ILE CA A 9 ILE CB A 9 ILE CG2 1.0 150.0 210.0 . 62 62 A 71 ILE N A 71 ILE CA A 71 ILE CB A 71 ILE CG2 1.0 150.0 210.0 . 63 63 A 91 ILE N A 91 ILE CA A 91 ILE CB A 91 ILE CG2 1.0 150.0 210.0 . 64 64 A 100 ILE N A 100 ILE CA A 100 ILE CB A 100 ILE CG2 1.0 150.0 210.0 . 65 65 A 110 ILE N A 110 ILE CA A 110 ILE CB A 110 ILE CG2 1.0 150.0 210.0 . 66 66 A 121 ILE N A 121 ILE CA A 121 ILE CB A 121 ILE CG2 1.0 150.0 210.0 . 67 67 A 125 ILE N A 125 ILE CA A 125 ILE CB A 125 ILE CG2 1.0 150.0 210.0 . 68 68 A 136 ILE N A 136 ILE CA A 136 ILE CB A 136 ILE CG2 1.0 150.0 210.0 . 69 69 A 145 ILE N A 145 ILE CA A 145 ILE CB A 145 ILE HB 1.0 150.0 210.0 . 70 70 A 29 THR C A 29 THR CA A 29 THR CB A 29 THR CG2 1.0 150.0 210.0 . 71 71 A 44 THR C A 44 THR CA A 44 THR CB A 44 THR CG2 1.0 150.0 210.0 . 72 72 A 81 THR N A 81 THR CA A 81 THR CB A 81 THR HB 1.0 150.0 210.0 . 73 73 A 117 THR N A 117 THR CA A 117 THR CB A 117 THR HB 1.0 150.0 210.0 . 74 74 A 108 VAL HA A 108 VAL CA A 108 VAL CB A 108 VAL HB 1.0 150.0 210.0 . 75 75 A 116 VAL N A 116 VAL CA A 116 VAL CB A 116 VAL HB 1.0 150.0 210.0 . 76 76 A 142 VAL HA A 142 VAL CA A 142 VAL CB A 142 VAL HB 1.0 150.0 210.0 . 77 77 A 9 ILE CA A 9 ILE CB A 9 ILE CG1 A 9 ILE CD1 1.0 150.0 210.0 CHI2 78 78 A 27 ILE CA A 27 ILE CB A 27 ILE CG1 A 27 ILE CD1 1.0 150.0 210.0 CHI2 79 79 A 52 ILE CA A 52 ILE CB A 52 ILE CG1 A 52 ILE CD1 1.0 150.0 210.0 CHI2 80 80 A 71 ILE CA A 71 ILE CB A 71 ILE CG1 A 71 ILE CD1 1.0 150.0 210.0 CHI2 81 81 A 91 ILE CA A 91 ILE CB A 91 ILE CG1 A 91 ILE CD1 1.0 150.0 210.0 CHI2 82 82 A 100 ILE CA A 100 ILE CB A 100 ILE CG1 A 100 ILE CD1 1.0 150.0 210.0 CHI2 83 83 A 125 ILE CA A 125 ILE CB A 125 ILE CG1 A 125 ILE CD1 1.0 150.0 210.0 CHI2 84 84 A 32 LEU CA A 32 LEU CB A 32 LEU CG A 32 LEU CD2 1.0 150.0 210.0 . 85 85 A 35 LEU CA A 35 LEU CB A 35 LEU CG A 35 LEU CD2 1.0 150.0 210.0 . 86 86 A 39 LEU CA A 39 LEU CB A 39 LEU CG A 39 LEU CD1 1.0 150.0 210.0 CHI2 87 87 A 51 LEU CA A 51 LEU CB A 51 LEU CG A 51 LEU CD1 1.0 150.0 210.0 CHI2 88 88 A 105 LEU CA A 105 LEU CB A 105 LEU CG A 105 LEU CD2 1.0 150.0 210.0 . 89 89 A 112 LEU CA A 112 LEU CB A 112 LEU CG A 112 LEU CD1 1.0 150.0 210.0 CHI2 90 90 A 2 SER N A 2 SER CA A 2 SER C A 3 GLU N 1.0 -55.0 -15.0 PSI 91 91 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLU N 1.0 -55.0 -15.0 PSI 92 92 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 GLN N 1.0 -55.0 -15.0 PSI 93 93 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 ILE N 1.0 -55.0 -15.0 PSI 94 94 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -55.0 -15.0 PSI 95 95 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -55.0 -15.0 PSI 96 96 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 LYS N 1.0 -55.0 -15.0 PSI 97 97 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ASP N 1.0 -55.0 -15.0 PSI 98 98 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ALA N 1.0 -55.0 -15.0 PSI 99 99 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -55.0 -15.0 PSI 100 100 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 VAL N 1.0 -55.0 -15.0 PSI 101 101 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 GLN N 1.0 -55.0 -15.0 PSI 102 102 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 PHE N 1.0 -55.0 -15.0 PSI 103 103 A 24 THR N A 24 THR CA A 24 THR C A 25 GLY N 1.0 115.0 155.0 PSI 104 104 A 29 THR N A 29 THR CA A 29 THR C A 30 ARG N 1.0 -55.0 -15.0 PSI 105 105 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 GLU N 1.0 -55.0 -15.0 PSI 106 106 A 34 THR N A 34 THR CA A 34 THR C A 35 LEU N 1.0 -55.0 -15.0 PSI 107 107 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 MET N 1.0 -55.0 -15.0 PSI 108 108 A 36 MET N A 36 MET CA A 36 MET C A 37 ARG N 1.0 -55.0 -15.0 PSI 109 109 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 THR N 1.0 -55.0 -15.0 PSI 110 110 A 38 THR N A 38 THR CA A 38 THR C A 39 LEU N 1.0 -55.0 -15.0 PSI 111 111 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ASN N 1.0 115.0 155.0 PSI 112 112 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 PRO N 1.0 115.0 155.0 PSI 113 113 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 -55.0 -15.0 PSI 114 114 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLU N 1.0 -55.0 -15.0 PSI 115 115 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 -55.0 -15.0 PSI 116 116 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ASP N 1.0 -55.0 -15.0 PSI 117 117 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 LEU N 1.0 -55.0 -15.0 PSI 118 118 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ILE N 1.0 -55.0 -15.0 PSI 119 119 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 GLU N 1.0 -55.0 -15.0 PSI 120 120 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ALA N 1.0 -55.0 -15.0 PSI 121 121 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 GLU N 1.0 -55.0 -15.0 PSI 122 122 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 ASN N 1.0 -55.0 -15.0 PSI 123 123 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 GLY N 1.0 -55.0 -15.0 PSI 124 124 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 LEU N 1.0 115.0 155.0 PSI 125 125 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ASN N 1.0 115.0 155.0 PSI 126 126 A 64 ASN N A 64 ASN CA A 64 ASN C A 65 PHE N 1.0 115.0 155.0 PSI 127 127 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 THR N 1.0 -55.0 -15.0 PSI 128 128 A 66 THR N A 66 THR CA A 66 THR C A 67 GLU N 1.0 -55.0 -15.0 PSI 129 129 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 PHE N 1.0 -55.0 -15.0 PSI 130 130 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 CYS N 1.0 -55.0 -15.0 PSI 131 131 A 69 CYS N A 69 CYS CA A 69 CYS C A 70 GLY N 1.0 -55.0 -15.0 PSI 132 132 A 72 MET N A 72 MET CA A 72 MET C A 73 ALA N 1.0 -55.0 -15.0 PSI 133 133 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 LYS N 1.0 -55.0 -15.0 PSI 134 134 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 GLN N 1.0 -55.0 -15.0 PSI 135 135 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 MET N 1.0 -55.0 -15.0 PSI 136 136 A 77 ARG N A 77 ARG CA A 77 ARG C A 78 GLU N 1.0 -55.0 -15.0 PSI 137 137 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 GLU N 1.0 -55.0 -15.0 PSI 138 138 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 MET N 1.0 -55.0 -15.0 PSI 139 139 A 85 MET N A 85 MET CA A 85 MET C A 86 ARG N 1.0 -55.0 -15.0 PSI 140 140 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 GLU N 1.0 -55.0 -15.0 PSI 141 141 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ALA N 1.0 -55.0 -15.0 PSI 142 142 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 LYS N 1.0 -55.0 -15.0 PSI 143 143 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 ILE N 1.0 -55.0 -15.0 PSI 144 144 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 PHE N 1.0 -55.0 -15.0 PSI 145 145 A 94 ARG N A 94 ARG CA A 94 ARG C A 95 ASP N 1.0 -55.0 -15.0 PSI 146 146 A 99 PHE N A 99 PHE CA A 99 PHE C A 100 ILE N 1.0 115.0 155.0 PSI 147 147 A 100 ILE N A 100 ILE CA A 100 ILE C A 101 SER N 1.0 115.0 155.0 PSI 148 148 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 GLU N 1.0 -55.0 -15.0 PSI 149 149 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 ARG N 1.0 -55.0 -15.0 PSI 150 150 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 PHE N 1.0 -55.0 -15.0 PSI 151 151 A 107 PHE N A 107 PHE CA A 107 PHE C A 108 VAL N 1.0 -55.0 -15.0 PSI 152 152 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 GLY N 1.0 -55.0 -15.0 PSI 153 153 A 116 VAL N A 116 VAL CA A 116 VAL C A 117 THR N 1.0 115.0 155.0 PSI 154 154 A 117 THR N A 117 THR CA A 117 THR C A 118 ASP N 1.0 115.0 155.0 PSI 155 155 A 118 ASP N A 118 ASP CA A 118 ASP C A 119 GLU N 1.0 -55.0 -15.0 PSI 156 156 A 119 GLU N A 119 GLU CA A 119 GLU C A 120 GLU N 1.0 -55.0 -15.0 PSI 157 157 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 ILE N 1.0 -55.0 -15.0 PSI 158 158 A 121 ILE N A 121 ILE CA A 121 ILE C A 122 ASP N 1.0 -55.0 -15.0 PSI 159 159 A 122 ASP N A 122 ASP CA A 122 ASP C A 123 GLU N 1.0 -55.0 -15.0 PSI 160 160 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 MET N 1.0 -55.0 -15.0 PSI 161 161 A 124 MET N A 124 MET CA A 124 MET C A 125 ILE N 1.0 -55.0 -15.0 PSI 162 162 A 125 ILE N A 125 ILE CA A 125 ILE C A 126 ARG N 1.0 -55.0 -15.0 PSI 163 163 A 126 ARG N A 126 ARG CA A 126 ARG C A 127 GLU N 1.0 -55.0 -15.0 PSI 164 164 A 127 GLU N A 127 GLU CA A 127 GLU C A 128 ALA N 1.0 -55.0 -15.0 PSI 165 165 A 133 ASP N A 133 ASP CA A 133 ASP C A 134 GLY N 1.0 115.0 155.0 PSI 166 166 A 135 MET N A 135 MET CA A 135 MET C A 136 ILE N 1.0 115.0 155.0 PSI 167 167 A 136 ILE N A 136 ILE CA A 136 ILE C A 137 ASN N 1.0 115.0 155.0 PSI 168 168 A 138 TYR N A 138 TYR CA A 138 TYR C A 139 GLU N 1.0 -55.0 -15.0 PSI 169 169 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 GLU N 1.0 -55.0 -15.0 PSI 170 170 A 141 PHE N A 141 PHE CA A 141 PHE C A 142 VAL N 1.0 -55.0 -15.0 PSI 171 171 A 142 VAL N A 142 VAL CA A 142 VAL C A 143 TRP N 1.0 -55.0 -15.0 PSI 172 172 A 143 TRP N A 143 TRP CA A 143 TRP C A 144 MET N 1.0 -55.0 -15.0 PSI 173 173 A 144 MET N A 144 MET CA A 144 MET C A 145 ILE N 1.0 -55.0 -15.0 PSI 174 174 A 145 ILE N A 145 ILE CA A 145 ILE C A 146 SER N 1.0 -55.0 -15.0 PSI stop_ save_