data_nef_c25969_2nba 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 2NBA PDB 5HZ7 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 49 CYS SG 1 100 CYS SG 1 91 CYS SG 1 114 CYS SG 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 6 HIS start . . 2 A 7 ARG middle . . 3 A 8 SER middle . . 4 A 9 ALA middle . . 5 A 10 ASN middle . . 6 A 11 LEU middle . . 7 A 12 ARG middle . . 8 A 13 ALA middle . . 9 A 14 ALA middle . . 10 A 15 HIS middle . . 11 A 16 ALA middle . . 12 A 17 ALA middle . . 13 A 18 LEU middle . . 14 A 19 LEU middle . . 15 A 20 GLU middle . . 16 A 21 ASN middle . . 17 A 22 ALA middle . . 18 A 23 ARG middle . . 19 A 24 PHE middle . . 20 A 25 MET middle . . 21 A 26 GLU middle . . 22 A 27 GLN middle . . 23 A 28 PHE middle . . 24 A 29 TYR middle . . 25 A 30 ALA middle . . 26 A 31 LYS middle . . 27 A 32 LYS middle . . 28 A 33 GLY middle . false 29 A 34 SER middle . . 30 A 35 PHE middle . . 31 A 36 LYS middle . . 32 A 37 LEU middle . . 33 A 38 THR middle . . 34 A 39 SER middle . . 35 A 40 THR middle . . 36 A 41 LYS middle . . 37 A 42 TRP middle . . 38 A 43 PRO middle . false 39 A 44 GLU middle . . 40 A 45 LEU middle . . 41 A 46 PRO middle . false 42 A 47 VAL middle . . 43 A 48 LYS middle . . 44 A 49 GLU middle . . 45 A 50 ALA middle . . 46 A 51 GLY middle . false 47 A 52 GLY middle . false 48 A 53 PHE middle . . 49 A 54 CYS middle -HG . 50 A 55 ILE middle . . 51 A 56 ARG middle . . 52 A 57 MET middle . . 53 A 58 SER middle . . 54 A 59 GLY middle . false 55 A 60 GLN middle . . 56 A 61 ALA middle . . 57 A 62 LYS middle . . 58 A 63 GLY middle . false 59 A 64 ILE middle . . 60 A 65 LEU middle . . 61 A 66 GLU middle . . 62 A 67 GLY middle . false 63 A 68 LYS middle . . 64 A 69 PHE middle . . 65 A 70 THR middle . . 66 A 71 LEU middle . . 67 A 72 LYS middle . . 68 A 73 ALA middle . . 69 A 74 VAL middle . . 70 A 75 ALA middle . . 71 A 76 LEU middle . . 72 A 77 ASP middle . . 73 A 78 ARG middle . . 74 A 79 GLU middle . . 75 A 80 ALA middle . . 76 A 81 GLU middle . . 77 A 82 PRO middle . false 78 A 83 ARG middle . . 79 A 84 VAL middle . . 80 A 85 LEU middle . . 81 A 86 ARG middle . . 82 A 87 LEU middle . . 83 A 88 ASN middle . . 84 A 89 GLU middle . . 85 A 90 SER middle . . 86 A 91 LEU middle . . 87 A 92 THR middle . . 88 A 93 ALA middle . . 89 A 94 VAL middle . . 90 A 95 VAL middle . . 91 A 96 CYS middle -HG . 92 A 97 GLY middle . false 93 A 98 LYS middle . . 94 A 99 MET middle . . 95 A 100 LYS middle . . 96 A 101 GLY middle . false 97 A 102 LYS middle . . 98 A 103 GLY middle . false 99 A 104 SER middle . . 100 A 105 CYS middle -HG . 101 A 106 THR middle . . 102 A 107 ASP middle . . 103 A 108 GLY middle . false 104 A 109 GLU middle . . 105 A 110 GLU middle . . 106 A 111 ILE middle . . 107 A 112 PHE middle . . 108 A 113 ARG middle . . 109 A 114 GLY middle . false 110 A 115 ASN middle . . 111 A 116 ASP middle . . 112 A 117 ALA middle . . 113 A 118 GLU middle . . 114 A 119 CYS middle -HG . 115 A 120 ARG middle . . 116 A 121 PRO middle . false 117 A 122 PHE middle . . 118 A 123 THR middle . . 119 A 124 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 6 HIS C C 13 175.138 . A 6 HIS CA C 13 56.298 . A 6 HIS CB C 13 29.739 . A 7 ARG H H 1 8.649 . A 7 ARG HA H 1 4.350 . A 7 ARG HBy H 1 1.846 . A 7 ARG HBx H 1 1.839 . A 7 ARG HDx H 1 3.226 . A 7 ARG HDy H 1 3.289 . A 7 ARG HGx H 1 1.648 . A 7 ARG HGy H 1 1.648 . A 7 ARG C C 13 177.037 . A 7 ARG CA C 13 56.724 . A 7 ARG CB C 13 30.881 . A 7 ARG CD C 13 43.282 . A 7 ARG CG C 13 27.199 . A 7 ARG N N 15 122.494 . A 8 SER H H 1 8.522 . A 8 SER HA H 1 4.384 . A 8 SER HBx H 1 3.917 . A 8 SER HBy H 1 3.917 . A 8 SER C C 13 174.613 . A 8 SER CA C 13 59.412 . A 8 SER CB C 13 63.686 . A 8 SER N N 15 117.535 . A 9 ALA H H 1 8.415 . A 9 ALA HA H 1 4.465 . A 9 ALA HB% H 1 1.354 . A 9 ALA C C 13 178.349 . A 9 ALA CA C 13 53.067 . A 9 ALA CB C 13 18.914 . A 9 ALA N N 15 126.336 . A 10 ASN H H 1 9.263 . A 10 ASN HA H 1 4.950 . A 10 ASN HBy H 1 3.350 . A 10 ASN HBx H 1 2.870 . A 10 ASN C C 13 175.571 . A 10 ASN CA C 13 53.247 . A 10 ASN CB C 13 39.125 . A 10 ASN N N 15 121.438 . A 11 LEU H H 1 8.560 . A 11 LEU HA H 1 3.621 . A 11 LEU HBx H 1 1.443 . A 11 LEU HBy H 1 1.821 . A 11 LEU HDx% H 1 0.855 . A 11 LEU HDy% H 1 0.576 . A 11 LEU HG H 1 1.619 . A 11 LEU C C 13 178.567 . A 11 LEU CA C 13 58.886 . A 11 LEU CB C 13 42.260 . A 11 LEU CDx C 13 25.354 . A 11 LEU CDy C 13 25.354 . A 11 LEU CG C 13 28.781 . A 11 LEU N N 15 125.021 . A 12 ARG H H 1 8.114 . A 12 ARG HA H 1 4.134 . A 12 ARG HBy H 1 2.044 . A 12 ARG HBx H 1 2.035 . A 12 ARG HDx H 1 3.298 . A 12 ARG HDy H 1 3.301 . A 12 ARG HGx H 1 1.710 . A 12 ARG HGy H 1 1.914 . A 12 ARG C C 13 179.350 . A 12 ARG CA C 13 60.347 . A 12 ARG CB C 13 29.691 . A 12 ARG CD C 13 43.453 . A 12 ARG CG C 13 28.154 . A 12 ARG N N 15 117.977 . A 13 ALA H H 1 7.871 . A 13 ALA HA H 1 4.213 . A 13 ALA HB% H 1 1.505 . A 13 ALA C C 13 180.957 . A 13 ALA CA C 13 54.402 . A 13 ALA CB C 13 17.869 . A 13 ALA N N 15 123.280 . A 14 ALA H H 1 7.930 . A 14 ALA HA H 1 3.705 . A 14 ALA HB% H 1 0.718 . A 14 ALA C C 13 178.578 . A 14 ALA CA C 13 55.404 . A 14 ALA CB C 13 17.260 . A 14 ALA N N 15 122.111 . A 15 HIS H H 1 8.422 . A 15 HIS HA H 1 3.776 . A 15 HIS HBx H 1 2.785 . A 15 HIS HBy H 1 3.281 . A 15 HIS HD2 H 1 6.833 . A 15 HIS HE1 H 1 6.955 . A 15 HIS C C 13 176.304 . A 15 HIS CA C 13 60.031 . A 15 HIS CB C 13 31.370 . A 15 HIS CD2 C 13 129.400 . A 15 HIS CE1 C 13 132.500 . A 15 HIS N N 15 118.502 . A 16 ALA H H 1 7.980 . A 16 ALA HA H 1 3.854 . A 16 ALA HB% H 1 1.500 . A 16 ALA C C 13 180.644 . A 16 ALA CA C 13 55.471 . A 16 ALA CB C 13 17.802 . A 16 ALA N N 15 120.116 . A 17 ALA H H 1 7.465 . A 17 ALA HA H 1 4.176 . A 17 ALA HB% H 1 1.265 . A 17 ALA C C 13 180.122 . A 17 ALA CA C 13 54.469 . A 17 ALA CB C 13 20.140 . A 17 ALA N N 15 121.281 . A 18 LEU H H 1 8.468 . A 18 LEU HA H 1 3.807 . A 18 LEU HBx H 1 1.233 . A 18 LEU HBy H 1 2.151 . A 18 LEU HDx% H 1 0.686 . A 18 LEU HDy% H 1 0.587 . A 18 LEU HG H 1 1.843 . A 18 LEU C C 13 178.766 . A 18 LEU CA C 13 58.744 . A 18 LEU CB C 13 40.711 . A 18 LEU CDx C 13 25.061 . A 18 LEU CDy C 13 26.683 . A 18 LEU CG C 13 25.946 . A 18 LEU N N 15 120.262 . A 19 LEU H H 1 8.029 . A 19 LEU HA H 1 3.862 . A 19 LEU HBx H 1 1.327 . A 19 LEU HBy H 1 1.821 . A 19 LEU HDx% H 1 0.643 . A 19 LEU HDy% H 1 0.830 . A 19 LEU HG H 1 1.280 . A 19 LEU C C 13 179.517 . A 19 LEU CA C 13 58.009 . A 19 LEU CB C 13 41.445 . A 19 LEU CDy C 13 25.122 . A 19 LEU CDx C 13 23.261 . A 19 LEU CG C 13 26.805 . A 19 LEU N N 15 119.078 . A 20 GLU H H 1 7.895 . A 20 GLU HA H 1 4.027 . A 20 GLU HBx H 1 2.000 . A 20 GLU HBy H 1 2.123 . A 20 GLU HGx H 1 2.254 . A 20 GLU HGy H 1 2.263 . A 20 GLU C C 13 180.289 . A 20 GLU CA C 13 59.879 . A 20 GLU CB C 13 29.290 . A 20 GLU CG C 13 35.753 . A 20 GLU N N 15 121.499 . A 21 ASN H H 1 8.373 . A 21 ASN HA H 1 4.538 . A 21 ASN HBx H 1 2.319 . A 21 ASN HBy H 1 2.820 . A 21 ASN C C 13 177.368 . A 21 ASN CA C 13 55.872 . A 21 ASN CB C 13 40.444 . A 21 ASN N N 15 119.066 . A 22 ALA H H 1 8.886 . A 22 ALA HA H 1 3.773 . A 22 ALA HB% H 1 1.538 . A 22 ALA C C 13 179.402 . A 22 ALA CA C 13 55.471 . A 22 ALA CB C 13 18.220 . A 22 ALA N N 15 125.274 . A 23 ARG H H 1 8.168 . A 23 ARG HA H 1 4.197 . A 23 ARG HBx H 1 2.020 . A 23 ARG HBy H 1 2.066 . A 23 ARG HDx H 1 3.218 . A 23 ARG HDy H 1 3.218 . A 23 ARG HGx H 1 1.699 . A 23 ARG HGy H 1 1.889 . A 23 ARG C C 13 179.726 . A 23 ARG CA C 13 59.812 . A 23 ARG CB C 13 29.691 . A 23 ARG CD C 13 43.284 . A 23 ARG CG C 13 28.134 . A 23 ARG N N 15 119.945 . A 24 PHE H H 1 7.658 . A 24 PHE HA H 1 4.367 . A 24 PHE HBx H 1 3.330 . A 24 PHE HBy H 1 3.499 . A 24 PHE HDx H 1 7.190 . A 24 PHE HEx H 1 7.346 . A 24 PHE C C 13 177.410 . A 24 PHE CA C 13 61.348 . A 24 PHE CB C 13 37.906 . A 24 PHE CDx C 13 131.900 . A 24 PHE CEx C 13 130.500 . A 24 PHE N N 15 121.222 . A 25 MET H H 1 8.358 . A 25 MET HA H 1 4.300 . A 25 MET HBx H 1 1.448 . A 25 MET HBy H 1 1.981 . A 25 MET HE% H 1 1.873 . A 25 MET HGx H 1 2.450 . A 25 MET HGy H 1 2.495 . A 25 MET C C 13 179.371 . A 25 MET CA C 13 55.939 . A 25 MET CB C 13 29.424 . A 25 MET CE C 13 16.880 . A 25 MET CG C 13 30.642 . A 25 MET N N 15 120.355 . A 26 GLU H H 1 8.441 . A 26 GLU HA H 1 4.338 . A 26 GLU HBy H 1 2.374 . A 26 GLU HBx H 1 2.261 . A 26 GLU HGy H 1 2.691 . A 26 GLU HGx H 1 2.280 . A 26 GLU C C 13 179.934 . A 26 GLU CA C 13 60.053 . A 26 GLU CB C 13 29.484 . A 26 GLU CG C 13 35.900 . A 26 GLU N N 15 120.164 . A 27 GLN H H 1 8.001 . A 27 GLN HA H 1 4.132 . A 27 GLN HBx H 1 2.093 . A 27 GLN HBy H 1 2.261 . A 27 GLN HGy H 1 2.633 . A 27 GLN HGx H 1 2.442 . A 27 GLN C C 13 178.307 . A 27 GLN CA C 13 58.610 . A 27 GLN CB C 13 28.088 . A 27 GLN CG C 13 33.966 . A 27 GLN N N 15 121.309 . A 28 PHE H H 1 8.760 . A 28 PHE HA H 1 3.814 . A 28 PHE HBx H 1 2.411 . A 28 PHE HBy H 1 3.337 . A 28 PHE HDy H 1 7.336 . A 28 PHE HEy H 1 7.212 . A 28 PHE HZ H 1 6.962 . A 28 PHE C C 13 177.717 . A 28 PHE CA C 13 62.192 . A 28 PHE CB C 13 39.343 . A 28 PHE CDy C 13 131.850 . A 28 PHE CEy C 13 131.850 . A 28 PHE CZ C 13 131.850 . A 28 PHE N N 15 124.569 . A 29 TYR H H 1 8.956 . A 29 TYR HA H 1 3.795 . A 29 TYR HBx H 1 2.869 . A 29 TYR HBy H 1 2.991 . A 29 TYR HDy H 1 6.031 . A 29 TYR HDx H 1 6.005 . A 29 TYR HEx H 1 6.432 . A 29 TYR HEy H 1 6.432 . A 29 TYR C C 13 179.079 . A 29 TYR CA C 13 60.948 . A 29 TYR CB C 13 38.707 . A 29 TYR CDx C 13 132.700 . A 29 TYR CDy C 13 133.000 . A 29 TYR CEx C 13 116.800 . A 29 TYR CEy C 13 116.800 . A 29 TYR N N 15 121.726 . A 30 ALA H H 1 8.063 . A 30 ALA HA H 1 4.048 . A 30 ALA HB% H 1 1.541 . A 30 ALA C C 13 174.781 . A 30 ALA CA C 13 54.870 . A 30 ALA CB C 13 17.869 . A 30 ALA N N 15 121.142 . A 31 LYS H H 1 7.172 . A 31 LYS HA H 1 4.188 . A 31 LYS HBx H 1 1.705 . A 31 LYS HBy H 1 1.710 . A 31 LYS HDy H 1 1.604 . A 31 LYS HDx H 1 1.592 . A 31 LYS HEx H 1 2.911 . A 31 LYS HEy H 1 2.911 . A 31 LYS HGy H 1 1.443 . A 31 LYS HGx H 1 1.340 . A 31 LYS C C 13 177.744 . A 31 LYS CA C 13 57.408 . A 31 LYS CB C 13 33.175 . A 31 LYS CD C 13 28.869 . A 31 LYS CE C 13 42.013 . A 31 LYS CG C 13 24.826 . A 31 LYS N N 15 114.745 . A 32 LYS H H 1 8.154 . A 32 LYS HA H 1 4.113 . A 32 LYS HBx H 1 1.205 . A 32 LYS HBy H 1 1.560 . A 32 LYS HDx H 1 1.413 . A 32 LYS HDy H 1 1.413 . A 32 LYS HEy H 1 2.880 . A 32 LYS HEx H 1 2.877 . A 32 LYS HGy H 1 1.046 . A 32 LYS HGx H 1 0.789 . A 32 LYS C C 13 177.747 . A 32 LYS CA C 13 55.805 . A 32 LYS CB C 13 33.898 . A 32 LYS CD C 13 27.902 . A 32 LYS CE C 13 42.366 . A 32 LYS CG C 13 24.035 . A 32 LYS N N 15 117.388 . A 33 GLY H H 1 8.945 . A 33 GLY HAy H 1 3.692 . A 33 GLY HAx H 1 2.841 . A 33 GLY C C 13 171.798 . A 33 GLY CA C 13 44.651 . A 33 GLY N N 15 109.017 . A 34 SER H H 1 6.756 . A 34 SER HA H 1 4.136 . A 34 SER HBy H 1 3.879 . A 34 SER HBx H 1 3.242 . A 34 SER C C 13 172.862 . A 34 SER CA C 13 56.673 . A 34 SER CB C 13 64.621 . A 34 SER N N 15 110.165 . A 35 PHE H H 1 9.403 . A 35 PHE HA H 1 5.114 . A 35 PHE HBx H 1 3.084 . A 35 PHE HBy H 1 3.795 . A 35 PHE HDx H 1 7.546 . A 35 PHE HEx H 1 7.142 . A 35 PHE HEy H 1 7.216 . A 35 PHE HZ H 1 7.306 . A 35 PHE C C 13 172.888 . A 35 PHE CA C 13 59.260 . A 35 PHE CB C 13 40.488 . A 35 PHE CDy C 13 131.800 . A 35 PHE CDx C 13 131.580 . A 35 PHE CEy C 13 131.487 . A 35 PHE CZ C 13 131.487 . A 35 PHE N N 15 121.132 . A 36 LYS H H 1 8.536 . A 36 LYS HA H 1 4.384 . A 36 LYS HBx H 1 1.354 . A 36 LYS HBy H 1 2.215 . A 36 LYS HDx H 1 1.504 . A 36 LYS HDy H 1 1.504 . A 36 LYS HEy H 1 2.738 . A 36 LYS HEx H 1 2.693 . A 36 LYS HGy H 1 1.269 . A 36 LYS HGx H 1 1.266 . A 36 LYS C C 13 177.118 . A 36 LYS CA C 13 56.272 . A 36 LYS CB C 13 33.097 . A 36 LYS CD C 13 29.842 . A 36 LYS CE C 13 43.258 . A 36 LYS CG C 13 26.233 . A 36 LYS N N 15 114.841 . A 37 LEU H H 1 8.503 . A 37 LEU HA H 1 4.450 . A 37 LEU HBy H 1 1.638 . A 37 LEU HBx H 1 1.055 . A 37 LEU HDx% H 1 1.172 . A 37 LEU HDy% H 1 1.172 . A 37 LEU HG H 1 0.972 . A 37 LEU C C 13 177.535 . A 37 LEU CA C 13 57.742 . A 37 LEU CB C 13 44.251 . A 37 LEU CDx C 13 23.772 . A 37 LEU CDy C 13 23.772 . A 37 LEU CG C 13 26.233 . A 37 LEU N N 15 124.789 . A 38 THR H H 1 8.189 . A 38 THR HA H 1 4.619 . A 38 THR HB H 1 4.581 . A 38 THR HG2% H 1 1.147 . A 38 THR C C 13 173.947 . A 38 THR CA C 13 58.944 . A 38 THR CB C 13 71.818 . A 38 THR CG2 C 13 22.014 . A 38 THR N N 15 108.556 . A 39 SER H H 1 8.590 . A 39 SER HA H 1 4.057 . A 39 SER HBx H 1 3.926 . A 39 SER HBy H 1 3.926 . A 39 SER C C 13 174.904 . A 39 SER CA C 13 60.938 . A 39 SER CB C 13 63.218 . A 39 SER N N 15 110.757 . A 40 THR H H 1 7.570 . A 40 THR HA H 1 4.453 . A 40 THR HB H 1 4.450 . A 40 THR HG2% H 1 1.058 . A 40 THR C C 13 174.928 . A 40 THR CA C 13 60.351 . A 40 THR CB C 13 69.910 . A 40 THR CG2 C 13 21.575 . A 40 THR N N 15 129.807 . A 41 LYS H H 1 7.425 . A 41 LYS HA H 1 4.712 . A 41 LYS HBx H 1 1.635 . A 41 LYS HBy H 1 1.813 . A 41 LYS HDx H 1 1.695 . A 41 LYS HDy H 1 1.699 . A 41 LYS HEx H 1 3.000 . A 41 LYS HEy H 1 3.000 . A 41 LYS HGx H 1 1.443 . A 41 LYS HGy H 1 1.462 . A 41 LYS C C 13 174.907 . A 41 LYS CA C 13 55.738 . A 41 LYS CB C 13 37.042 . A 41 LYS CD C 13 29.133 . A 41 LYS CE C 13 42.103 . A 41 LYS CG C 13 24.739 . A 41 LYS N N 15 125.614 . A 42 TRP H H 1 8.590 . A 42 TRP HA H 1 5.102 . A 42 TRP HBy H 1 3.362 . A 42 TRP HBx H 1 2.985 . A 42 TRP HD1 H 1 7.266 . A 42 TRP HE1 H 1 10.550 . A 42 TRP HE3 H 1 7.537 . A 42 TRP HH2 H 1 7.551 . A 42 TRP HZ2 H 1 7.339 . A 42 TRP HZ3 H 1 7.117 . A 42 TRP C C 13 173.384 . A 42 TRP CA C 13 54.402 . A 42 TRP CB C 13 29.891 . A 42 TRP CD1 C 13 128.300 . A 42 TRP CH2 C 13 124.500 . A 42 TRP CZ2 C 13 113.000 . A 42 TRP CZ3 C 13 123.600 . A 42 TRP N N 15 124.827 . A 42 TRP NE1 N 15 129.000 . A 43 PRO HA H 1 4.447 . A 43 PRO HBx H 1 1.785 . A 43 PRO HBy H 1 1.785 . A 43 PRO HDx H 1 3.946 . A 43 PRO HDy H 1 4.050 . A 43 PRO HGx H 1 1.489 . A 43 PRO HGy H 1 1.489 . A 43 PRO C C 13 174.990 . A 43 PRO CA C 13 62.551 . A 43 PRO CB C 13 32.095 . A 43 PRO CD C 13 51.165 . A 43 PRO CG C 13 26.606 . A 44 GLU H H 1 8.134 . A 44 GLU HA H 1 3.965 . A 44 GLU HBx H 1 1.776 . A 44 GLU HBy H 1 1.902 . A 44 GLU HGy H 1 2.277 . A 44 GLU HGx H 1 2.179 . A 44 GLU C C 13 175.699 . A 44 GLU CA C 13 56.206 . A 44 GLU CB C 13 29.582 . A 44 GLU CG C 13 35.797 . A 44 GLU N N 15 120.080 . A 45 LEU H H 1 8.363 . A 45 LEU HA H 1 3.963 . A 45 LEU HBx H 1 1.312 . A 45 LEU HBy H 1 1.312 . A 45 LEU HDx% H 1 0.628 . A 45 LEU HDy% H 1 0.615 . A 45 LEU HG H 1 0.630 . A 45 LEU C C 13 176.242 . A 45 LEU CA C 13 51.731 . A 45 LEU CB C 13 41.312 . A 45 LEU CDx C 13 22.557 . A 45 LEU CDy C 13 22.557 . A 45 LEU CG C 13 26.022 . A 45 LEU N N 15 125.972 . A 46 PRO HA H 1 4.174 . A 46 PRO HBx H 1 1.813 . A 46 PRO HBy H 1 1.944 . A 46 PRO HDx H 1 3.410 . A 46 PRO HDy H 1 3.410 . A 46 PRO HGx H 1 1.932 . A 46 PRO HGy H 1 1.932 . A 46 PRO C C 13 177.702 . A 46 PRO CA C 13 63.820 . A 46 PRO CB C 13 31.561 . A 46 PRO CD C 13 49.802 . A 46 PRO CG C 13 26.956 . A 47 VAL H H 1 7.836 . A 47 VAL HA H 1 4.235 . A 47 VAL HB H 1 1.915 . A 47 VAL HGx% H 1 0.761 . A 47 VAL HGy% H 1 0.864 . A 47 VAL C C 13 175.178 . A 47 VAL CA C 13 62.016 . A 47 VAL CB C 13 32.148 . A 47 VAL CGx C 13 20.041 . A 47 VAL CGy C 13 22.405 . A 47 VAL N N 15 119.474 . A 48 LYS H H 1 8.638 . A 48 LYS HA H 1 4.309 . A 48 LYS HBx H 1 1.608 . A 48 LYS HBy H 1 2.120 . A 48 LYS HDy H 1 1.756 . A 48 LYS HDx H 1 1.754 . A 48 LYS HEx H 1 3.101 . A 48 LYS HEy H 1 3.101 . A 48 LYS HGx H 1 1.390 . A 48 LYS HGy H 1 1.390 . A 48 LYS C C 13 176.534 . A 48 LYS CA C 13 57.141 . A 48 LYS CB C 13 33.832 . A 48 LYS CD C 13 29.232 . A 48 LYS CE C 13 42.012 . A 48 LYS CG C 13 25.556 . A 48 LYS N N 15 124.385 . A 49 GLU H H 1 7.473 . A 49 GLU HA H 1 5.231 . A 49 GLU HBy H 1 1.954 . A 49 GLU HBx H 1 1.944 . A 49 GLU HGx H 1 2.216 . A 49 GLU HGy H 1 2.216 . A 49 GLU C C 13 174.552 . A 49 GLU CA C 13 55.271 . A 49 GLU CB C 13 33.297 . A 49 GLU CG C 13 36.234 . A 49 GLU N N 15 118.262 . A 50 ALA H H 1 8.902 . A 50 ALA HA H 1 4.451 . A 50 ALA HB% H 1 1.207 . A 50 ALA C C 13 177.890 . A 50 ALA CA C 13 53.133 . A 50 ALA CB C 13 23.613 . A 50 ALA N N 15 124.186 . A 51 GLY H H 1 9.113 . A 51 GLY HAx H 1 4.103 . A 51 GLY HAy H 1 4.112 . A 51 GLY C C 13 173.759 . A 51 GLY CA C 13 47.657 . A 51 GLY N N 15 109.041 . A 52 GLY H H 1 8.873 . A 52 GLY HAy H 1 4.183 . A 52 GLY HAx H 1 3.545 . A 52 GLY C C 13 174.156 . A 52 GLY CA C 13 45.520 . A 52 GLY N N 15 104.272 . A 53 PHE H H 1 8.278 . A 53 PHE HA H 1 5.157 . A 53 PHE HBx H 1 2.735 . A 53 PHE HBy H 1 3.145 . A 53 PHE HDx H 1 7.097 . A 53 PHE HEy H 1 6.984 . A 53 PHE HEx H 1 6.677 . A 53 PHE HZ H 1 6.827 . A 53 PHE C C 13 175.574 . A 53 PHE CA C 13 56.940 . A 53 PHE CB C 13 41.379 . A 53 PHE CDx C 13 130.400 . A 53 PHE CEy C 13 132.500 . A 53 PHE CEx C 13 130.750 . A 53 PHE CZ C 13 129.210 . A 53 PHE N N 15 120.324 . A 54 CYS H H 1 9.911 . A 54 CYS HA H 1 5.660 . A 54 CYS HBx H 1 3.219 . A 54 CYS HBy H 1 3.769 . A 54 CYS C C 13 173.092 . A 54 CYS CA C 13 54.997 . A 54 CYS CB C 13 44.496 . A 54 CYS N N 15 116.465 . A 55 ILE H H 1 7.971 . A 55 ILE HA H 1 5.311 . A 55 ILE HB H 1 1.505 . A 55 ILE HD1% H 1 0.554 . A 55 ILE HG1x H 1 1.324 . A 55 ILE HG1y H 1 1.326 . A 55 ILE HG2% H 1 0.628 . A 55 ILE C C 13 175.366 . A 55 ILE CA C 13 60.480 . A 55 ILE CB C 13 40.699 . A 55 ILE CD1 C 13 14.933 . A 55 ILE CG1 C 13 28.332 . A 55 ILE CG2 C 13 18.743 . A 55 ILE N N 15 119.910 . A 56 ARG H H 1 8.927 . A 56 ARG HA H 1 4.621 . A 56 ARG HBx H 1 1.194 . A 56 ARG HBy H 1 1.913 . A 56 ARG HDy H 1 1.739 . A 56 ARG HDx H 1 0.281 . A 56 ARG HGy H 1 1.487 . A 56 ARG HGx H 1 0.920 . A 56 ARG C C 13 174.948 . A 56 ARG CA C 13 53.467 . A 56 ARG CB C 13 36.410 . A 56 ARG CD C 13 41.975 . A 56 ARG CG C 13 26.324 . A 56 ARG N N 15 122.445 . A 57 MET H H 1 9.022 . A 57 MET HA H 1 4.574 . A 57 MET HBx H 1 1.086 . A 57 MET HBy H 1 1.613 . A 57 MET HE% H 1 1.383 . A 57 MET HGx H 1 1.201 . A 57 MET HGy H 1 1.201 . A 57 MET C C 13 175.845 . A 57 MET CA C 13 55.204 . A 57 MET CB C 13 32.162 . A 57 MET CE C 13 16.530 . A 57 MET CG C 13 32.152 . A 57 MET N N 15 119.875 . A 58 SER H H 1 8.559 . A 58 SER HA H 1 5.138 . A 58 SER HBx H 1 3.317 . A 58 SER HBy H 1 3.749 . A 58 SER C C 13 175.866 . A 58 SER CA C 13 56.084 . A 58 SER CB C 13 63.977 . A 58 SER N N 15 114.338 . A 59 GLY H H 1 8.919 . A 59 GLY HAx H 1 3.886 . A 59 GLY HAy H 1 4.548 . A 59 GLY C C 13 172.257 . A 59 GLY CA C 13 43.702 . A 59 GLY N N 15 116.880 . A 60 GLN H H 1 8.575 . A 60 GLN HA H 1 4.391 . A 60 GLN HBx H 1 2.057 . A 60 GLN HBy H 1 2.269 . A 60 GLN HGx H 1 2.450 . A 60 GLN HGy H 1 2.452 . A 60 GLN C C 13 177.222 . A 60 GLN CA C 13 56.005 . A 60 GLN CB C 13 28.842 . A 60 GLN CG C 13 34.149 . A 60 GLN N N 15 121.745 . A 61 ALA H H 1 8.576 . A 61 ALA HA H 1 3.399 . A 61 ALA HB% H 1 -0.154 . A 61 ALA C C 13 178.704 . A 61 ALA CA C 13 55.289 . A 61 ALA CB C 13 15.932 . A 61 ALA N N 15 128.305 . A 62 LYS H H 1 8.272 . A 62 LYS HA H 1 4.176 . A 62 LYS HBx H 1 1.663 . A 62 LYS HBy H 1 1.810 . A 62 LYS HDx H 1 1.576 . A 62 LYS HDy H 1 1.578 . A 62 LYS HEx H 1 2.895 . A 62 LYS HEy H 1 2.896 . A 62 LYS HGy H 1 1.306 . A 62 LYS HGx H 1 1.304 . A 62 LYS C C 13 177.327 . A 62 LYS CA C 13 58.076 . A 62 LYS CB C 13 32.295 . A 62 LYS CD C 13 29.280 . A 62 LYS CE C 13 42.014 . A 62 LYS CG C 13 24.150 . A 62 LYS N N 15 114.337 . A 63 GLY H H 1 7.813 . A 63 GLY HAy H 1 4.185 . A 63 GLY HAx H 1 3.917 . A 63 GLY C C 13 173.759 . A 63 GLY CA C 13 44.785 . A 63 GLY N N 15 107.059 . A 64 ILE H H 1 7.256 . A 64 ILE HA H 1 4.456 . A 64 ILE HB H 1 2.085 . A 64 ILE HD1% H 1 1.020 . A 64 ILE HG1x H 1 1.711 . A 64 ILE HG1y H 1 1.726 . A 64 ILE HG2% H 1 1.378 . A 64 ILE C C 13 176.033 . A 64 ILE CA C 13 58.543 . A 64 ILE CB C 13 37.972 . A 64 ILE CD1 C 13 10.847 . A 64 ILE CG1 C 13 28.063 . A 64 ILE CG2 C 13 18.150 . A 64 ILE N N 15 122.496 . A 65 LEU H H 1 8.417 . A 65 LEU HA H 1 4.253 . A 65 LEU HBx H 1 1.595 . A 65 LEU HBy H 1 1.690 . A 65 LEU HDx% H 1 0.971 . A 65 LEU HDy% H 1 0.954 . A 65 LEU HG H 1 1.902 . A 65 LEU C C 13 178.203 . A 65 LEU CA C 13 55.538 . A 65 LEU CB C 13 42.536 . A 65 LEU CDy C 13 24.846 . A 65 LEU CDx C 13 22.933 . A 65 LEU CG C 13 27.193 . A 65 LEU N N 15 128.858 . A 66 GLU H H 1 8.590 . A 66 GLU HA H 1 4.241 . A 66 GLU HBx H 1 2.335 . A 66 GLU HBy H 1 2.335 . A 66 GLU HGx H 1 2.496 . A 66 GLU HGy H 1 2.598 . A 66 GLU C C 13 177.436 . A 66 GLU CA C 13 57.258 . A 66 GLU CB C 13 29.099 . A 66 GLU CG C 13 36.149 . A 66 GLU N N 15 119.109 . A 67 GLY H H 1 9.498 . A 67 GLY HAy H 1 4.502 . A 67 GLY HAx H 1 3.723 . A 67 GLY C C 13 173.551 . A 67 GLY CA C 13 46.121 . A 67 GLY N N 15 108.490 . A 68 LYS H H 1 7.604 . A 68 LYS HA H 1 4.796 . A 68 LYS HBy H 1 1.819 . A 68 LYS HBx H 1 1.817 . A 68 LYS HDx H 1 1.591 . A 68 LYS HDy H 1 1.606 . A 68 LYS HEx H 1 2.895 . A 68 LYS HEy H 1 2.896 . A 68 LYS HGy H 1 1.319 . A 68 LYS HGx H 1 1.217 . A 68 LYS C C 13 175.637 . A 68 LYS CA C 13 54.269 . A 68 LYS CB C 13 35.702 . A 68 LYS CD C 13 28.671 . A 68 LYS CE C 13 42.192 . A 68 LYS CG C 13 24.759 . A 68 LYS N N 15 117.773 . A 69 PHE H H 1 8.439 . A 69 PHE HA H 1 4.472 . A 69 PHE HBy H 1 2.659 . A 69 PHE HBx H 1 2.649 . A 69 PHE HDy H 1 6.684 . A 69 PHE HEx H 1 6.827 . A 69 PHE HEy H 1 6.941 . A 69 PHE HZ H 1 7.112 . A 69 PHE C C 13 172.591 . A 69 PHE CA C 13 59.078 . A 69 PHE CB C 13 40.377 . A 69 PHE CDy C 13 131.170 . A 69 PHE CEx C 13 129.330 . A 69 PHE CEy C 13 131.400 . A 69 PHE CZ C 13 130.500 . A 69 PHE N N 15 114.518 . A 70 THR H H 1 8.474 . A 70 THR HA H 1 4.602 . A 70 THR HB H 1 3.987 . A 70 THR HG2% H 1 1.086 . A 70 THR C C 13 172.508 . A 70 THR CA C 13 62.484 . A 70 THR CB C 13 71.367 . A 70 THR CG2 C 13 21.434 . A 70 THR N N 15 115.260 . A 71 LEU H H 1 9.284 . A 71 LEU HA H 1 4.508 . A 71 LEU HBx H 1 1.161 . A 71 LEU HBy H 1 1.881 . A 71 LEU HDx% H 1 0.690 . A 71 LEU HDy% H 1 0.690 . A 71 LEU HG H 1 0.823 . A 71 LEU CA C 13 53.935 . A 71 LEU CB C 13 46.855 . A 71 LEU CDx C 13 26.324 . A 71 LEU CDy C 13 26.324 . A 71 LEU CG C 13 29.106 . A 71 LEU N N 15 128.144 . A 72 LYS H H 1 9.123 . A 72 LYS HA H 1 5.388 . A 72 LYS HBx H 1 1.415 . A 72 LYS HBy H 1 1.801 . A 72 LYS HDy H 1 1.415 . A 72 LYS HDx H 1 1.230 . A 72 LYS HEy H 1 2.500 . A 72 LYS HEx H 1 2.110 . A 72 LYS HGy H 1 1.193 . A 72 LYS HGx H 1 0.900 . A 72 LYS C C 13 171.972 . A 72 LYS CA C 13 54.402 . A 72 LYS CB C 13 38.592 . A 72 LYS CD C 13 31.086 . A 72 LYS CE C 13 40.700 . A 72 LYS CG C 13 25.019 . A 72 LYS N N 15 122.603 . A 73 ALA H H 1 9.178 . A 73 ALA HA H 1 5.851 . A 73 ALA HB% H 1 0.982 . A 73 ALA C C 13 175.324 . A 73 ALA CA C 13 49.126 . A 73 ALA CB C 13 21.476 . A 73 ALA N N 15 128.927 . A 74 VAL H H 1 8.727 . A 74 VAL HA H 1 4.139 . A 74 VAL HB H 1 1.539 . A 74 VAL HGx% H 1 0.795 . A 74 VAL HGy% H 1 -0.193 . A 74 VAL C C 13 173.425 . A 74 VAL CA C 13 60.850 . A 74 VAL CB C 13 35.768 . A 74 VAL CGx C 13 21.020 . A 74 VAL CGy C 13 22.044 . A 74 VAL N N 15 123.425 . A 75 ALA H H 1 9.164 . A 75 ALA HA H 1 3.658 . A 75 ALA HB% H 1 0.863 . A 75 ALA C C 13 177.327 . A 75 ALA CA C 13 53.200 . A 75 ALA CB C 13 19.606 . A 75 ALA N N 15 130.762 . A 76 LEU H H 1 8.269 . A 76 LEU HA H 1 3.794 . A 76 LEU HBy H 1 1.502 . A 76 LEU HBx H 1 1.413 . A 76 LEU HDx% H 1 0.778 . A 76 LEU HDy% H 1 0.880 . A 76 LEU HG H 1 1.413 . A 76 LEU C C 13 178.036 . A 76 LEU CA C 13 58.276 . A 76 LEU CB C 13 41.846 . A 76 LEU CDy C 13 25.367 . A 76 LEU CDx C 13 23.889 . A 76 LEU CG C 13 28.324 . A 76 LEU N N 15 119.175 . A 77 ASP H H 1 7.715 . A 77 ASP HA H 1 4.796 . A 77 ASP HBy H 1 2.940 . A 77 ASP HBx H 1 2.352 . A 77 ASP C C 13 176.012 . A 77 ASP CA C 13 51.731 . A 77 ASP CB C 13 40.176 . A 77 ASP N N 15 115.777 . A 78 ARG H H 1 8.408 . A 78 ARG HA H 1 4.083 . A 78 ARG HBy H 1 1.909 . A 78 ARG HBx H 1 1.650 . A 78 ARG HDy H 1 3.225 . A 78 ARG HDx H 1 3.223 . A 78 ARG HGx H 1 1.650 . A 78 ARG HGy H 1 1.652 . A 78 ARG C C 13 177.869 . A 78 ARG CA C 13 57.408 . A 78 ARG CB C 13 29.624 . A 78 ARG CD C 13 43.279 . A 78 ARG CG C 13 27.532 . A 78 ARG N N 15 122.846 . A 79 GLU H H 1 7.888 . A 79 GLU HA H 1 4.019 . A 79 GLU HBx H 1 2.039 . A 79 GLU HBy H 1 2.048 . A 79 GLU HGx H 1 2.169 . A 79 GLU HGy H 1 2.183 . A 79 GLU C C 13 177.930 . A 79 GLU CA C 13 58.324 . A 79 GLU CB C 13 29.134 . A 79 GLU CG C 13 36.345 . A 79 GLU N N 15 118.091 . A 80 ALA H H 1 7.175 . A 80 ALA HA H 1 4.102 . A 80 ALA HB% H 1 1.271 . A 80 ALA C C 13 178.142 . A 80 ALA CA C 13 53.067 . A 80 ALA CB C 13 19.272 . A 80 ALA N N 15 120.528 . A 81 GLU H H 1 7.457 . A 81 GLU HA H 1 4.762 . A 81 GLU HBx H 1 1.665 . A 81 GLU HBy H 1 1.739 . A 81 GLU HGx H 1 2.183 . A 81 GLU HGy H 1 2.198 . A 81 GLU C C 13 171.047 . A 81 GLU CA C 13 52.198 . A 81 GLU CB C 13 30.693 . A 81 GLU CG C 13 37.927 . A 81 GLU N N 15 115.377 . A 82 PRO HA H 1 4.697 . A 82 PRO HBx H 1 2.123 . A 82 PRO HBy H 1 2.415 . A 82 PRO HDx H 1 3.843 . A 82 PRO HDy H 1 3.844 . A 82 PRO HGx H 1 2.080 . A 82 PRO HGy H 1 2.082 . A 82 PRO C C 13 177.636 . A 82 PRO CA C 13 62.591 . A 82 PRO CB C 13 32.832 . A 82 PRO CD C 13 50.454 . A 82 PRO CG C 13 26.539 . A 83 ARG H H 1 8.554 . A 83 ARG HA H 1 4.574 . A 83 ARG HBx H 1 1.472 . A 83 ARG HBy H 1 1.828 . A 83 ARG HDx H 1 2.837 . A 83 ARG HDy H 1 3.339 . A 83 ARG HGx H 1 1.807 . A 83 ARG HGy H 1 1.815 . A 83 ARG C C 13 176.870 . A 83 ARG CA C 13 57.044 . A 83 ARG CB C 13 31.176 . A 83 ARG CD C 13 43.904 . A 83 ARG CG C 13 26.894 . A 83 ARG N N 15 118.488 . A 84 VAL H H 1 8.304 . A 84 VAL HA H 1 5.027 . A 84 VAL HB H 1 1.925 . A 84 VAL HGx% H 1 0.897 . A 84 VAL HGy% H 1 0.615 . A 84 VAL C C 13 174.302 . A 84 VAL CA C 13 58.543 . A 84 VAL CB C 13 34.690 . A 84 VAL CGy C 13 23.793 . A 84 VAL CGx C 13 18.743 . A 84 VAL N N 15 111.376 . A 85 LEU H H 1 8.095 . A 85 LEU HA H 1 5.328 . A 85 LEU HBx H 1 0.973 . A 85 LEU HBy H 1 1.095 . A 85 LEU HDx% H 1 0.109 . A 85 LEU HDy% H 1 0.112 . A 85 LEU HG H 1 1.028 . A 85 LEU C C 13 175.491 . A 85 LEU CA C 13 52.866 . A 85 LEU CB C 13 47.122 . A 85 LEU CDx C 13 24.856 . A 85 LEU CDy C 13 24.856 . A 85 LEU CG C 13 26.982 . A 85 LEU N N 15 122.000 . A 86 ARG H H 1 8.851 . A 86 ARG HA H 1 5.470 . A 86 ARG HBx H 1 1.529 . A 86 ARG HBy H 1 1.699 . A 86 ARG HDy H 1 3.415 . A 86 ARG HDx H 1 3.074 . A 86 ARG HGx H 1 1.326 . A 86 ARG HGy H 1 1.326 . A 86 ARG C C 13 174.928 . A 86 ARG CA C 13 54.202 . A 86 ARG CB C 13 35.635 . A 86 ARG CD C 13 43.880 . A 86 ARG CG C 13 27.799 . A 86 ARG N N 15 119.409 . A 87 LEU H H 1 8.798 . A 87 LEU HA H 1 5.074 . A 87 LEU HBx H 1 1.340 . A 87 LEU HBy H 1 1.595 . A 87 LEU HDx% H 1 0.791 . A 87 LEU HDy% H 1 0.793 . A 87 LEU HG H 1 0.806 . A 87 LEU C C 13 174.406 . A 87 LEU CA C 13 55.004 . A 87 LEU CB C 13 48.124 . A 87 LEU CDy C 13 26.539 . A 87 LEU CDx C 13 26.451 . A 87 LEU CG C 13 28.065 . A 87 LEU N N 15 122.550 . A 88 ASN H H 1 7.376 . A 88 ASN HA H 1 5.423 . A 88 ASN HBy H 1 3.367 . A 88 ASN HBx H 1 2.745 . A 88 ASN C C 13 176.576 . A 88 ASN CA C 13 50.863 . A 88 ASN CB C 13 40.577 . A 88 ASN N N 15 125.347 . A 89 GLU H H 1 7.586 . A 89 GLU HA H 1 3.396 . A 89 GLU HBy H 1 1.661 . A 89 GLU HBx H 1 1.312 . A 89 GLU HGy H 1 2.793 . A 89 GLU HGx H 1 2.791 . A 89 GLU C C 13 176.684 . A 89 GLU CA C 13 58.540 . A 89 GLU CB C 13 27.870 . A 89 GLU CG C 13 34.867 . A 89 GLU N N 15 114.953 . A 90 SER H H 1 7.385 . A 90 SER HA H 1 4.442 . A 90 SER HBx H 1 3.961 . A 90 SER HBy H 1 3.961 . A 90 SER C C 13 174.051 . A 90 SER CA C 13 58.895 . A 90 SER CB C 13 63.886 . A 90 SER N N 15 117.110 . A 91 LEU H H 1 8.704 . A 91 LEU HA H 1 3.697 . A 91 LEU HBx H 1 1.576 . A 91 LEU HBy H 1 2.217 . A 91 LEU HDx% H 1 0.924 . A 91 LEU HDy% H 1 0.850 . A 91 LEU HG H 1 1.443 . A 91 LEU C C 13 175.825 . A 91 LEU CA C 13 56.042 . A 91 LEU CB C 13 37.705 . A 91 LEU CDy C 13 25.133 . A 91 LEU CDx C 13 22.907 . A 91 LEU CG C 13 27.354 . A 91 LEU N N 15 116.559 . A 92 THR H H 1 7.704 . A 92 THR HA H 1 4.254 . A 92 THR HB H 1 3.980 . A 92 THR HG2% H 1 1.060 . A 92 THR C C 13 173.425 . A 92 THR CA C 13 62.617 . A 92 THR CB C 13 69.096 . A 92 THR CG2 C 13 21.757 . A 92 THR N N 15 115.529 . A 93 ALA H H 1 9.002 . A 93 ALA HA H 1 5.687 . A 93 ALA HB% H 1 1.472 . A 93 ALA C C 13 177.201 . A 93 ALA CA C 13 50.262 . A 93 ALA CB C 13 21.810 . A 93 ALA N N 15 130.459 . A 94 VAL H H 1 8.833 . A 94 VAL HA H 1 4.904 . A 94 VAL HB H 1 1.802 . A 94 VAL HGx% H 1 0.806 . A 94 VAL HGy% H 1 0.732 . A 94 VAL C C 13 173.613 . A 94 VAL CA C 13 59.679 . A 94 VAL CB C 13 36.036 . A 94 VAL CGx C 13 19.806 . A 94 VAL CGy C 13 21.755 . A 94 VAL N N 15 117.872 . A 95 VAL H H 1 9.286 . A 95 VAL HA H 1 5.253 . A 95 VAL HB H 1 1.765 . A 95 VAL HGx% H 1 1.089 . A 95 VAL HGy% H 1 0.867 . A 95 VAL C C 13 174.552 . A 95 VAL CA C 13 57.942 . A 95 VAL CB C 13 34.900 . A 95 VAL CGx C 13 19.097 . A 95 VAL CGy C 13 21.844 . A 95 VAL N N 15 121.842 . A 96 CYS H H 1 9.452 . A 96 CYS HA H 1 5.423 . A 96 CYS HBx H 1 2.755 . A 96 CYS HBy H 1 3.320 . A 96 CYS C C 13 174.135 . A 96 CYS CA C 13 54.269 . A 96 CYS CB C 13 46.455 . A 96 CYS N N 15 126.839 . A 97 GLY H H 1 8.355 . A 97 GLY HAx H 1 3.980 . A 97 GLY HAy H 1 3.980 . A 97 GLY C C 13 172.639 . A 97 GLY CA C 13 46.388 . A 97 GLY N N 15 109.718 . A 98 LYS H H 1 7.632 . A 98 LYS HA H 1 4.744 . A 98 LYS HBx H 1 1.520 . A 98 LYS HBy H 1 1.680 . A 98 LYS HDx H 1 1.606 . A 98 LYS HDy H 1 1.606 . A 98 LYS HEx H 1 2.895 . A 98 LYS HEy H 1 2.896 . A 98 LYS HGx H 1 1.191 . A 98 LYS HGy H 1 1.191 . A 98 LYS C C 13 174.051 . A 98 LYS CA C 13 54.336 . A 98 LYS CB C 13 35.528 . A 98 LYS CD C 13 29.020 . A 98 LYS CE C 13 42.103 . A 98 LYS CG C 13 24.059 . A 98 LYS N N 15 114.844 . A 99 MET H H 1 8.759 . A 99 MET HA H 1 5.017 . A 99 MET HBx H 1 1.718 . A 99 MET HBy H 1 2.029 . A 99 MET HE% H 1 1.790 . A 99 MET HGy H 1 2.496 . A 99 MET HGx H 1 2.495 . A 99 MET C C 13 176.337 . A 99 MET CA C 13 54.803 . A 99 MET CB C 13 34.646 . A 99 MET CE C 13 17.100 . A 99 MET CG C 13 31.412 . A 99 MET N N 15 124.801 . A 100 LYS H H 1 8.602 . A 100 LYS HA H 1 4.376 . A 100 LYS HBx H 1 1.802 . A 100 LYS HBy H 1 1.802 . A 100 LYS HDx H 1 1.591 . A 100 LYS HDy H 1 1.593 . A 100 LYS HEy H 1 2.895 . A 100 LYS HEx H 1 2.880 . A 100 LYS HGx H 1 1.326 . A 100 LYS HGy H 1 1.326 . A 100 LYS C C 13 177.222 . A 100 LYS CA C 13 56.455 . A 100 LYS CB C 13 32.429 . A 100 LYS CD C 13 28.577 . A 100 LYS CE C 13 41.866 . A 100 LYS CG C 13 24.856 . A 100 LYS N N 15 126.252 . A 101 GLY H H 1 8.385 . A 101 GLY HAx H 1 4.112 . A 101 GLY HAy H 1 4.112 . A 101 GLY C C 13 173.613 . A 101 GLY CA C 13 44.585 . A 101 GLY N N 15 108.944 . A 102 LYS H H 1 8.436 . A 102 LYS HA H 1 4.414 . A 102 LYS HBx H 1 1.774 . A 102 LYS HBy H 1 1.953 . A 102 LYS HDx H 1 1.665 . A 102 LYS HDy H 1 1.680 . A 102 LYS HEy H 1 3.000 . A 102 LYS HEx H 1 2.998 . A 102 LYS HGx H 1 1.472 . A 102 LYS HGy H 1 1.472 . A 102 LYS C C 13 176.867 . A 102 LYS CA C 13 55.872 . A 102 LYS CB C 13 33.023 . A 102 LYS CD C 13 29.020 . A 102 LYS CE C 13 42.132 . A 102 LYS CG C 13 24.767 . A 102 LYS N N 15 118.594 . A 103 GLY H H 1 8.443 . A 103 GLY HAy H 1 4.244 . A 103 GLY HAx H 1 4.074 . A 103 GLY C C 13 171.631 . A 103 GLY CA C 13 45.920 . A 103 GLY N N 15 110.581 . A 104 SER H H 1 8.535 . A 104 SER HA H 1 4.697 . A 104 SER HBx H 1 3.905 . A 104 SER HBy H 1 4.131 . A 104 SER C C 13 174.680 . A 104 SER CA C 13 57.331 . A 104 SER CB C 13 66.178 . A 104 SER N N 15 113.710 . A 105 CYS H H 1 10.009 . A 105 CYS HA H 1 4.612 . A 105 CYS HBy H 1 3.245 . A 105 CYS HBx H 1 3.075 . A 105 CYS C C 13 176.502 . A 105 CYS CA C 13 57.136 . A 105 CYS CB C 13 40.412 . A 105 CYS N N 15 118.835 . A 106 THR H H 1 8.030 . A 106 THR HA H 1 4.574 . A 106 THR HB H 1 4.631 . A 106 THR HG2% H 1 1.149 . A 106 THR C C 13 175.178 . A 106 THR CA C 13 61.014 . A 106 THR CB C 13 68.495 . A 106 THR CG2 C 13 21.401 . A 106 THR N N 15 107.957 . A 107 ASP H H 1 7.531 . A 107 ASP HA H 1 4.320 . A 107 ASP HBx H 1 2.849 . A 107 ASP HBy H 1 3.273 . A 107 ASP C C 13 177.264 . A 107 ASP CA C 13 55.004 . A 107 ASP CB C 13 40.844 . A 107 ASP N N 15 120.763 . A 108 GLY H H 1 8.591 . A 108 GLY HAy H 1 4.084 . A 108 GLY HAx H 1 3.697 . A 108 GLY C C 13 174.698 . A 108 GLY CA C 13 45.653 . A 108 GLY N N 15 108.602 . A 109 GLU H H 1 8.292 . A 109 GLU HA H 1 4.452 . A 109 GLU HBx H 1 2.057 . A 109 GLU HBy H 1 2.198 . A 109 GLU HGy H 1 2.333 . A 109 GLU HGx H 1 2.319 . A 109 GLU C C 13 176.472 . A 109 GLU CA C 13 55.678 . A 109 GLU CB C 13 30.884 . A 109 GLU CG C 13 36.019 . A 109 GLU N N 15 120.191 . A 110 GLU H H 1 9.028 . A 110 GLU HA H 1 4.216 . A 110 GLU HBx H 1 2.066 . A 110 GLU HBy H 1 2.217 . A 110 GLU HGx H 1 2.376 . A 110 GLU HGy H 1 2.378 . A 110 GLU C C 13 176.381 . A 110 GLU CA C 13 57.136 . A 110 GLU CB C 13 31.273 . A 110 GLU CG C 13 36.462 . A 110 GLU N N 15 116.857 . A 111 ILE H H 1 7.022 . A 111 ILE HA H 1 4.835 . A 111 ILE HB H 1 2.113 . A 111 ILE HD1% H 1 0.821 . A 111 ILE HG1y H 1 1.072 . A 111 ILE HG1x H 1 1.058 . A 111 ILE HG2% H 1 1.146 . A 111 ILE C C 13 176.868 . A 111 ILE CA C 13 59.142 . A 111 ILE CB C 13 43.115 . A 111 ILE CD1 C 13 14.845 . A 111 ILE CG1 C 13 25.210 . A 111 ILE CG2 C 13 19.540 . A 111 ILE N N 15 109.164 . A 112 PHE H H 1 8.605 . A 112 PHE HA H 1 5.112 . A 112 PHE HBx H 1 2.330 . A 112 PHE HBy H 1 3.339 . A 112 PHE HDy H 1 7.242 . A 112 PHE HEy H 1 7.047 . A 112 PHE C C 13 174.171 . A 112 PHE CA C 13 57.791 . A 112 PHE CB C 13 42.859 . A 112 PHE CDy C 13 132.000 . A 112 PHE CEy C 13 128.700 . A 112 PHE N N 15 118.509 . A 113 ARG H H 1 9.352 . A 113 ARG HA H 1 4.772 . A 113 ARG HBx H 1 1.765 . A 113 ARG HBy H 1 1.925 . A 113 ARG HDx H 1 3.220 . A 113 ARG HDy H 1 3.222 . A 113 ARG HGx H 1 1.623 . A 113 ARG HGy H 1 1.623 . A 113 ARG C C 13 176.930 . A 113 ARG CA C 13 55.404 . A 113 ARG CB C 13 33.431 . A 113 ARG CD C 13 43.461 . A 113 ARG CG C 13 27.691 . A 113 ARG N N 15 119.908 . A 114 GLY H H 1 8.467 . A 114 GLY HAy H 1 4.188 . A 114 GLY HAx H 1 3.820 . A 114 GLY C C 13 173.738 . A 114 GLY CA C 13 44.451 . A 114 GLY N N 15 109.477 . A 115 ASN H H 1 8.523 . A 115 ASN HA H 1 4.734 . A 115 ASN HBx H 1 2.641 . A 115 ASN HBy H 1 2.802 . A 115 ASN C C 13 173.530 . A 115 ASN CA C 13 52.733 . A 115 ASN CB C 13 39.642 . A 115 ASN N N 15 119.193 . A 116 ASP H H 1 8.098 . A 116 ASP HA H 1 5.083 . A 116 ASP HBx H 1 2.227 . A 116 ASP HBy H 1 2.613 . A 116 ASP C C 13 174.030 . A 116 ASP CA C 13 54.269 . A 116 ASP CB C 13 43.983 . A 116 ASP N N 15 120.602 . A 117 ALA H H 1 8.979 . A 117 ALA HA H 1 4.716 . A 117 ALA HB% H 1 1.369 . A 117 ALA C C 13 175.345 . A 117 ALA CA C 13 50.462 . A 117 ALA CB C 13 23.145 . A 117 ALA N N 15 123.146 . A 118 GLU H H 1 8.829 . A 118 GLU HA H 1 3.895 . A 118 GLU HBx H 1 2.085 . A 118 GLU HBy H 1 2.170 . A 118 GLU HGx H 1 2.257 . A 118 GLU HGy H 1 2.257 . A 118 GLU C C 13 177.181 . A 118 GLU CA C 13 56.358 . A 118 GLU CB C 13 26.752 . A 118 GLU CG C 13 36.196 . A 118 GLU N N 15 115.917 . A 119 CYS H H 1 8.671 . A 119 CYS HA H 1 5.470 . A 119 CYS HBx H 1 2.575 . A 119 CYS HBy H 1 2.943 . A 119 CYS C C 13 174.738 . A 119 CYS CA C 13 56.164 . A 119 CYS CB C 13 44.458 . A 119 CYS N N 15 119.476 . A 120 ARG H H 1 9.238 . A 120 ARG HA H 1 4.925 . A 120 ARG HBx H 1 1.815 . A 120 ARG HBy H 1 1.948 . A 120 ARG HDx H 1 3.235 . A 120 ARG HDy H 1 3.235 . A 120 ARG HGx H 1 1.606 . A 120 ARG HGy H 1 1.709 . A 120 ARG C C 13 172.028 . A 120 ARG CA C 13 53.668 . A 120 ARG CB C 13 31.561 . A 120 ARG CD C 13 43.524 . A 120 ARG CG C 13 26.377 . A 120 ARG N N 15 123.444 . A 121 PRO HA H 1 4.546 . A 121 PRO HBx H 1 1.784 . A 121 PRO HBy H 1 2.434 . A 121 PRO HDx H 1 3.591 . A 121 PRO HDy H 1 3.828 . A 121 PRO HGx H 1 1.963 . A 121 PRO HGy H 1 1.963 . A 121 PRO C C 13 176.138 . A 121 PRO CA C 13 64.020 . A 121 PRO CB C 13 32.162 . A 121 PRO CD C 13 50.372 . A 121 PRO CG C 13 28.046 . A 122 PHE H H 1 8.335 . A 122 PHE HA H 1 4.706 . A 122 PHE HBx H 1 2.509 . A 122 PHE HBy H 1 2.632 . A 122 PHE HDy H 1 6.695 . A 122 PHE HEx H 1 6.842 . A 122 PHE HEy H 1 6.982 . A 122 PHE HZ H 1 7.112 . A 122 PHE C C 13 175.032 . A 122 PHE CA C 13 57.408 . A 122 PHE CB C 13 40.377 . A 122 PHE CDy C 13 131.000 . A 122 PHE CEx C 13 129.336 . A 122 PHE CEy C 13 131.400 . A 122 PHE CZ C 13 130.380 . A 122 PHE N N 15 124.392 . A 123 THR H H 1 8.146 . A 123 THR HA H 1 4.140 . A 123 THR HB H 1 4.254 . A 123 THR HG2% H 1 1.028 . A 123 THR C C 13 173.071 . A 123 THR CA C 13 60.948 . A 123 THR CB C 13 69.430 . A 123 THR CG2 C 13 21.046 . A 123 THR N N 15 118.912 . A 124 GLY H H 1 5.733 . A 124 GLY HAy H 1 3.681 . A 124 GLY HAx H 1 3.133 . A 124 GLY C C 13 178.119 . A 124 GLY CA C 13 46.121 . A 124 GLY N N 15 114.625 . 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 save_