data_nef_c34202_6f24 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6F24 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 12 SER start . . 2 A 13 ALA middle . . 3 A 14 LYS middle . . 4 A 15 ASP middle . . 5 A 16 ILE middle . . 6 A 17 LYS middle . . 7 A 18 ASP middle . . 8 A 19 GLU middle . . 9 A 20 LYS middle . . 10 A 21 ILE middle . . 11 A 22 GLN middle . . 12 A 23 GLN middle . . 13 A 24 TYR middle . . 14 A 25 ARG middle . . 15 A 26 LYS middle . . 16 A 27 THR middle . . 17 A 28 LEU middle . . 18 A 29 THR middle . . 19 A 30 LYS middle . . 20 A 31 ILE middle . . 21 A 32 VAL middle . . 22 A 33 LYS middle . . 23 A 34 ILE middle . . 24 A 35 LYS middle . . 25 A 36 THR middle . . 26 A 37 ALA middle . . 27 A 38 ILE middle . . 28 A 39 PHE middle . . 29 A 40 HIS middle . . 30 A 41 GLU middle . . 31 A 42 THR middle . . 32 A 43 VAL middle . . 33 A 44 LYS middle . . 34 A 45 VAL middle . . 35 A 46 THR middle . . 36 A 47 CYS middle . . 37 A 48 SER middle . . 38 A 49 LYS middle . . 39 A 50 ASP middle . . 40 A 51 GLY middle . false 41 A 52 LYS middle . . 42 A 53 MET middle . . 43 A 54 LEU middle . . 44 A 55 GLU middle . . 45 A 56 TRP middle . . 46 A 57 TYR middle . . 47 A 58 LYS middle . . 48 A 59 GLY middle . false 49 A 60 LYS middle . . 50 A 61 ASN middle . . 51 A 62 ASP middle . . 52 A 63 SER middle . . 53 A 64 ASP middle . . 54 A 65 GLY middle . false 55 A 66 LYS middle . . 56 A 67 LYS middle . . 57 A 68 LYS middle . . 58 A 69 PRO middle . false 59 A 70 ILE middle . . 60 A 71 GLY middle . false 61 A 72 SER middle . . 62 A 73 PHE middle . . 63 A 74 PRO middle . false 64 A 75 LEU middle . . 65 A 76 ASN middle . . 66 A 77 LYS middle . . 67 A 78 ILE middle . . 68 A 79 THR middle . . 69 A 80 SER middle . . 70 A 81 ILE middle . . 71 A 82 ARG middle . . 72 A 83 THR middle . . 73 A 84 LYS middle . . 74 A 85 VAL middle . . 75 A 86 ASP middle . . 76 A 87 ASN middle . . 77 A 88 LEU middle . . 78 A 89 LYS middle . . 79 A 90 SER middle . . 80 A 91 LEU middle . . 81 A 92 GLU middle . . 82 A 93 ILE middle . . 83 A 94 SER middle . . 84 A 95 VAL middle . . 85 A 96 SER middle . . 86 A 97 SER middle . . 87 A 98 VAL middle . . 88 A 99 HIS middle . . 89 A 100 ILE middle . . 90 A 101 SER middle . . 91 A 102 THR middle . . 92 A 103 TYR middle . . 93 A 104 LEU middle . . 94 A 105 PHE middle . . 95 A 106 THR middle . . 96 A 107 PHE middle . . 97 A 108 LYS middle . . 98 A 109 THR middle . . 99 A 110 ARG middle . . 100 A 111 GLU middle . . 101 A 112 GLU middle . . 102 A 113 ARG middle . . 103 A 114 GLU middle . . 104 A 115 SER middle . . 105 A 116 TRP middle . . 106 A 117 GLN middle . . 107 A 118 ASN middle . . 108 A 119 ASN middle . . 109 A 120 LEU middle . . 110 A 121 GLU middle . . 111 A 122 SER middle . . 112 A 123 PHE middle . . 113 A 124 ARG middle . . 114 A 125 LYS middle . . 115 A 126 ILE middle . . 116 A 127 MET middle . . 117 A 128 SER middle . . 118 A 129 MET middle . . 119 A 130 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 12 SER H1 H 1 8.526 . A 12 SER HA H 1 4.494 . A 12 SER HBy H 1 3.978 . A 12 SER HBx H 1 3.934 . A 12 SER C C 13 174.645 . A 12 SER CA C 13 58.221 . A 12 SER CB C 13 64.222 . A 12 SER N N 15 120.273 . A 13 ALA H H 1 8.373 . A 13 ALA HA H 1 4.290 . A 13 ALA HB% H 1 1.462 . A 13 ALA C C 13 178.368 . A 13 ALA CA C 13 53.468 . A 13 ALA CB C 13 19.026 . A 13 ALA N N 15 125.800 . A 14 LYS H H 1 8.235 . A 14 LYS HA H 1 4.224 . A 14 LYS HBx H 1 1.833 . A 14 LYS HBy H 1 1.833 . A 14 LYS HDx H 1 1.709 . A 14 LYS HDy H 1 1.709 . A 14 LYS HEx H 1 3.012 . A 14 LYS HEy H 1 3.012 . A 14 LYS HGx H 1 1.464 . A 14 LYS HGy H 1 1.464 . A 14 LYS C C 13 176.679 . A 14 LYS CA C 13 57.479 . A 14 LYS CB C 13 32.988 . A 14 LYS CD C 13 29.307 . A 14 LYS CE C 13 42.255 . A 14 LYS CG C 13 24.820 . A 14 LYS N N 15 119.511 . A 15 ASP H H 1 8.321 . A 15 ASP HA H 1 4.614 . A 15 ASP HBy H 1 2.791 . A 15 ASP HBx H 1 2.723 . A 15 ASP C C 13 177.043 . A 15 ASP CA C 13 54.941 . A 15 ASP CB C 13 41.178 . A 15 ASP N N 15 120.083 . A 16 ILE H H 1 8.028 . A 16 ILE HA H 1 4.077 . A 16 ILE HB H 1 1.966 . A 16 ILE HD1% H 1 0.902 . A 16 ILE HG1y H 1 1.587 . A 16 ILE HG1x H 1 1.274 . A 16 ILE HG2% H 1 0.986 . A 16 ILE C C 13 177.097 . A 16 ILE CA C 13 62.544 . A 16 ILE CB C 13 38.229 . A 16 ILE CD1 C 13 13.172 . A 16 ILE CG1 C 13 27.955 . A 16 ILE CG2 C 13 17.603 . A 16 ILE N N 15 121.798 . A 17 LYS H H 1 8.248 . A 17 LYS HA H 1 4.164 . A 17 LYS HBx H 1 1.908 . A 17 LYS HBy H 1 1.908 . A 17 LYS HDy H 1 1.726 . A 17 LYS HDx H 1 1.701 . A 17 LYS HEx H 1 3.019 . A 17 LYS HEy H 1 3.019 . A 17 LYS HGx H 1 1.459 . A 17 LYS HGy H 1 1.459 . A 17 LYS C C 13 177.569 . A 17 LYS CA C 13 58.415 . A 17 LYS CB C 13 32.457 . A 17 LYS CD C 13 29.146 . A 17 LYS CE C 13 42.297 . A 17 LYS CG C 13 24.852 . A 17 LYS N N 15 123.704 . A 18 ASP H H 1 8.324 . A 18 ASP HA H 1 4.654 . A 18 ASP HBy H 1 2.852 . A 18 ASP HBx H 1 2.764 . A 18 ASP C C 13 178.259 . A 18 ASP CA C 13 56.720 . A 18 ASP CB C 13 38.711 . A 18 ASP N N 15 119.993 . A 19 GLU H H 1 8.448 . A 19 GLU HA H 1 4.115 . A 19 GLU HBx H 1 2.163 . A 19 GLU HBy H 1 2.163 . A 19 GLU HGy H 1 2.390 . A 19 GLU HGx H 1 2.304 . A 19 GLU C C 13 178.949 . A 19 GLU CA C 13 59.529 . A 19 GLU CB C 13 29.456 . A 19 GLU CG C 13 36.223 . A 19 GLU N N 15 120.912 . A 20 LYS H H 1 8.237 . A 20 LYS HA H 1 4.143 . A 20 LYS HBx H 1 1.969 . A 20 LYS HBy H 1 1.969 . A 20 LYS HDx H 1 1.749 . A 20 LYS HDy H 1 1.749 . A 20 LYS HEx H 1 3.015 . A 20 LYS HEy H 1 3.015 . A 20 LYS HGx H 1 1.489 . A 20 LYS HGy H 1 1.489 . A 20 LYS C C 13 179.294 . A 20 LYS CA C 13 59.910 . A 20 LYS CB C 13 32.207 . A 20 LYS CD C 13 29.146 . A 20 LYS CE C 13 42.258 . A 20 LYS CG C 13 24.954 . A 20 LYS N N 15 119.511 . A 21 ILE H H 1 8.324 . A 21 ILE HA H 1 3.879 . A 21 ILE HB H 1 2.100 . A 21 ILE HD1% H 1 0.924 . A 21 ILE HG1y H 1 1.950 . A 21 ILE HG1x H 1 1.301 . A 21 ILE HG2% H 1 0.968 . A 21 ILE C C 13 177.914 . A 21 ILE CA C 13 66.345 . A 21 ILE CB C 13 37.960 . A 21 ILE CD1 C 13 13.900 . A 21 ILE CG1 C 13 29.706 . A 21 ILE CG2 C 13 17.225 . A 21 ILE N N 15 119.838 . A 22 GLN H H 1 8.075 . A 22 GLN HA H 1 4.021 . A 22 GLN HBx H 1 2.195 . A 22 GLN HBy H 1 2.195 . A 22 GLN HGy H 1 2.585 . A 22 GLN HGx H 1 2.562 . A 22 GLN C C 13 178.931 . A 22 GLN CA C 13 58.808 . A 22 GLN CB C 13 27.743 . A 22 GLN CG C 13 33.424 . A 22 GLN N N 15 116.652 . A 23 GLN H H 1 7.878 . A 23 GLN HA H 1 4.041 . A 23 GLN HBy H 1 2.190 . A 23 GLN HBx H 1 2.045 . A 23 GLN HGx H 1 2.402 . A 23 GLN HGy H 1 2.555 . A 23 GLN C C 13 179.131 . A 23 GLN CA C 13 58.721 . A 23 GLN CB C 13 28.200 . A 23 GLN CG C 13 33.300 . A 23 GLN N N 15 119.053 . A 24 TYR H H 1 8.251 . A 24 TYR HA H 1 4.042 . A 24 TYR HBy H 1 2.435 . A 24 TYR HBx H 1 2.011 . A 24 TYR HDx H 1 7.062 . A 24 TYR HDy H 1 7.062 . A 24 TYR HEx H 1 6.876 . A 24 TYR HEy H 1 6.876 . A 24 TYR C C 13 177.842 . A 24 TYR CA C 13 62.347 . A 24 TYR CB C 13 37.710 . A 24 TYR CDx C 13 132.460 . A 24 TYR CDy C 13 132.460 . A 24 TYR CEx C 13 118.452 . A 24 TYR CEy C 13 118.452 . A 24 TYR N N 15 118.768 . A 25 ARG H H 1 8.708 . A 25 ARG HA H 1 3.842 . A 25 ARG HBy H 1 1.913 . A 25 ARG HBx H 1 1.644 . A 25 ARG HDx H 1 3.080 . A 25 ARG HDy H 1 3.080 . A 25 ARG HGx H 1 1.421 . A 25 ARG HGy H 1 1.421 . A 25 ARG C C 13 178.858 . A 25 ARG CA C 13 60.222 . A 25 ARG CB C 13 30.193 . A 25 ARG CD C 13 43.920 . A 25 ARG CG C 13 27.813 . A 25 ARG N N 15 120.130 . A 26 LYS H H 1 7.436 . A 26 LYS HA H 1 4.140 . A 26 LYS HBx H 1 1.996 . A 26 LYS HBy H 1 1.996 . A 26 LYS HDx H 1 1.710 . A 26 LYS HDy H 1 1.710 . A 26 LYS HEx H 1 3.016 . A 26 LYS HEy H 1 3.016 . A 26 LYS HGx H 1 1.621 . A 26 LYS HGy H 1 1.621 . A 26 LYS C C 13 179.549 . A 26 LYS CA C 13 59.972 . A 26 LYS CB C 13 32.312 . A 26 LYS CD C 13 29.313 . A 26 LYS CE C 13 42.203 . A 26 LYS CG C 13 24.953 . A 26 LYS N N 15 118.046 . A 27 THR H H 1 7.825 . A 27 THR HA H 1 4.114 . A 27 THR HB H 1 4.116 . A 27 THR HG2% H 1 1.171 . A 27 THR C C 13 176.244 . A 27 THR CA C 13 65.224 . A 27 THR CB C 13 69.098 . A 27 THR CG2 C 13 22.452 . A 27 THR N N 15 114.176 . A 28 LEU H H 1 8.233 . A 28 LEU HA H 1 4.528 . A 28 LEU HBy H 1 1.810 . A 28 LEU HBx H 1 1.482 . A 28 LEU HDx% H 1 -0.077 . A 28 LEU HDy% H 1 -0.077 . A 28 LEU HG H 1 0.285 . A 28 LEU C C 13 177.242 . A 28 LEU CA C 13 55.072 . A 28 LEU CB C 13 42.489 . A 28 LEU CDy C 13 21.679 . A 28 LEU CDx C 13 21.648 . A 28 LEU CG C 13 25.954 . A 28 LEU N N 15 119.511 . A 29 THR H H 1 7.338 . A 29 THR HA H 1 5.824 . A 29 THR HB H 1 4.463 . A 29 THR HG2% H 1 1.321 . A 29 THR C C 13 175.172 . A 29 THR CA C 13 63.003 . A 29 THR CB C 13 68.967 . A 29 THR CG2 C 13 20.701 . A 29 THR N N 15 116.467 . A 30 LYS H H 1 8.666 . A 30 LYS HA H 1 4.892 . A 30 LYS HBy H 1 1.807 . A 30 LYS HBx H 1 1.582 . A 30 LYS HDy H 1 2.152 . A 30 LYS HDx H 1 1.970 . A 30 LYS HEx H 1 3.325 . A 30 LYS HEy H 1 3.325 . A 30 LYS HGy H 1 1.652 . A 30 LYS HGx H 1 1.563 . A 30 LYS C C 13 174.119 . A 30 LYS CA C 13 54.043 . A 30 LYS CB C 13 37.960 . A 30 LYS CD C 13 28.455 . A 30 LYS CE C 13 42.430 . A 30 LYS CG C 13 25.614 . A 30 LYS N N 15 129.163 . A 31 ILE H H 1 8.419 . A 31 ILE HA H 1 5.037 . A 31 ILE HB H 1 1.934 . A 31 ILE HD1% H 1 0.857 . A 31 ILE HG1y H 1 1.587 . A 31 ILE HG1x H 1 1.399 . A 31 ILE HG2% H 1 0.815 . A 31 ILE C C 13 175.953 . A 31 ILE CA C 13 59.971 . A 31 ILE CB C 13 35.959 . A 31 ILE CD1 C 13 10.946 . A 31 ILE CG1 C 13 27.454 . A 31 ILE CG2 C 13 17.654 . A 31 ILE N N 15 123.261 . A 32 VAL H H 1 9.139 . A 32 VAL HA H 1 4.394 . A 32 VAL HB H 1 1.389 . A 32 VAL HGx% H 1 0.009 . A 32 VAL HGy% H 1 0.141 . A 32 VAL C C 13 173.175 . A 32 VAL CA C 13 59.228 . A 32 VAL CB C 13 36.328 . A 32 VAL CGy C 13 22.036 . A 32 VAL CGx C 13 19.701 . A 32 VAL N N 15 123.513 . A 33 LYS H H 1 7.727 . A 33 LYS HA H 1 5.005 . A 33 LYS HBy H 1 1.689 . A 33 LYS HBx H 1 1.557 . A 33 LYS HDy H 1 1.496 . A 33 LYS HDx H 1 1.430 . A 33 LYS HEy H 1 2.737 . A 33 LYS HEx H 1 2.669 . A 33 LYS HGy H 1 1.323 . A 33 LYS HGx H 1 1.261 . A 33 LYS C C 13 175.808 . A 33 LYS CA C 13 55.400 . A 33 LYS CB C 13 33.903 . A 33 LYS CD C 13 29.281 . A 33 LYS CE C 13 41.267 . A 33 LYS CG C 13 24.953 . A 33 LYS N N 15 120.083 . A 34 ILE H H 1 8.680 . A 34 ILE HA H 1 4.882 . A 34 ILE HB H 1 1.053 . A 34 ILE HD1% H 1 -0.691 . A 34 ILE HG1x H 1 0.071 . A 34 ILE HG1y H 1 0.541 . A 34 ILE HG2% H 1 0.548 . A 34 ILE C C 13 173.029 . A 34 ILE CA C 13 59.548 . A 34 ILE CB C 13 41.304 . A 34 ILE CD1 C 13 13.003 . A 34 ILE CG1 C 13 27.492 . A 34 ILE CG2 C 13 16.670 . A 34 ILE N N 15 125.038 . A 35 LYS H H 1 8.764 . A 35 LYS HA H 1 5.143 . A 35 LYS HBy H 1 1.705 . A 35 LYS HBx H 1 1.273 . A 35 LYS HDy H 1 1.212 . A 35 LYS HDx H 1 1.147 . A 35 LYS HEx H 1 2.652 . A 35 LYS HEy H 1 2.652 . A 35 LYS HGx H 1 1.116 . A 35 LYS HGy H 1 1.116 . A 35 LYS C C 13 176.080 . A 35 LYS CA C 13 55.219 . A 35 LYS CB C 13 36.422 . A 35 LYS CD C 13 29.329 . A 35 LYS CE C 13 41.990 . A 35 LYS CG C 13 25.109 . A 35 LYS N N 15 127.587 . A 36 THR H H 1 9.277 . A 36 THR HA H 1 4.614 . A 36 THR HB H 1 4.451 . A 36 THR HG2% H 1 1.062 . A 36 THR C C 13 173.937 . A 36 THR CA C 13 59.267 . A 36 THR CB C 13 71.978 . A 36 THR CG2 C 13 22.952 . A 36 THR N N 15 120.125 . A 37 ALA H H 1 8.558 . A 37 ALA HA H 1 4.130 . A 37 ALA HB% H 1 1.470 . A 37 ALA C C 13 178.150 . A 37 ALA CA C 13 54.745 . A 37 ALA CB C 13 18.700 . A 37 ALA N N 15 120.845 . A 38 ILE H H 1 7.524 . A 38 ILE HA H 1 4.525 . A 38 ILE HB H 1 2.078 . A 38 ILE HD1% H 1 0.927 . A 38 ILE HG1x H 1 1.309 . A 38 ILE HG1y H 1 1.309 . A 38 ILE HG2% H 1 0.871 . A 38 ILE C C 13 175.154 . A 38 ILE CA C 13 60.717 . A 38 ILE CB C 13 40.129 . A 38 ILE CD1 C 13 13.448 . A 38 ILE CG1 C 13 26.454 . A 38 ILE CG2 C 13 17.564 . A 38 ILE N N 15 107.885 . A 39 PHE H H 1 7.524 . A 39 PHE HA H 1 4.912 . A 39 PHE HBy H 1 3.127 . A 39 PHE HBx H 1 3.090 . A 39 PHE HDx H 1 7.234 . A 39 PHE HDy H 1 7.240 . A 39 PHE HEx H 1 7.337 . A 39 PHE HEy H 1 7.337 . A 39 PHE C C 13 173.193 . A 39 PHE CA C 13 57.220 . A 39 PHE CB C 13 42.815 . A 39 PHE CDx C 13 132.209 . A 39 PHE CDy C 13 132.209 . A 39 PHE N N 15 122.576 . A 40 HIS H H 1 8.616 . A 40 HIS HA H 1 5.687 . A 40 HIS HBx H 1 3.044 . A 40 HIS HBy H 1 3.146 . A 40 HIS HD2 H 1 6.814 . A 40 HIS C C 13 173.937 . A 40 HIS CA C 13 53.718 . A 40 HIS CB C 13 30.206 . A 40 HIS CD2 C 13 121.204 . A 40 HIS N N 15 123.900 . A 41 GLU H H 1 8.260 . A 41 GLU HA H 1 4.616 . A 41 GLU HBy H 1 1.926 . A 41 GLU HBx H 1 1.563 . A 41 GLU HGx H 1 2.024 . A 41 GLU HGy H 1 2.024 . A 41 GLU C C 13 174.791 . A 41 GLU CA C 13 55.007 . A 41 GLU CB C 13 34.459 . A 41 GLU CG C 13 35.632 . A 41 GLU N N 15 122.694 . A 42 THR H H 1 8.962 . A 42 THR HA H 1 4.817 . A 42 THR HB H 1 4.016 . A 42 THR HG2% H 1 1.105 . A 42 THR C C 13 174.718 . A 42 THR CA C 13 64.103 . A 42 THR CB C 13 68.814 . A 42 THR CG2 C 13 22.126 . A 42 THR N N 15 120.925 . A 43 VAL H H 1 9.384 . A 43 VAL HA H 1 5.038 . A 43 VAL HB H 1 2.552 . A 43 VAL HGx% H 1 0.616 . A 43 VAL HGy% H 1 0.970 . A 43 VAL C C 13 172.993 . A 43 VAL CA C 13 59.070 . A 43 VAL CB C 13 36.590 . A 43 VAL CGx C 13 17.700 . A 43 VAL CGy C 13 22.931 . A 43 VAL N N 15 121.226 . A 44 LYS H H 1 8.714 . A 44 LYS HA H 1 5.146 . A 44 LYS HBy H 1 1.845 . A 44 LYS HBx H 1 1.642 . A 44 LYS HDx H 1 1.596 . A 44 LYS HDy H 1 1.596 . A 44 LYS HEx H 1 2.750 . A 44 LYS HEy H 1 2.750 . A 44 LYS HGx H 1 1.193 . A 44 LYS HGy H 1 1.337 . A 44 LYS C C 13 176.189 . A 44 LYS CA C 13 55.203 . A 44 LYS CB C 13 34.493 . A 44 LYS CD C 13 29.456 . A 44 LYS CE C 13 41.714 . A 44 LYS CG C 13 25.039 . A 44 LYS N N 15 120.460 . A 45 VAL H H 1 9.323 . A 45 VAL HA H 1 5.585 . A 45 VAL HB H 1 1.974 . A 45 VAL HGx% H 1 1.146 . A 45 VAL HGy% H 1 1.381 . A 45 VAL C C 13 172.684 . A 45 VAL CA C 13 59.595 . A 45 VAL CB C 13 34.755 . A 45 VAL CGx C 13 20.605 . A 45 VAL CGy C 13 23.020 . A 45 VAL N N 15 127.750 . A 46 THR H H 1 9.123 . A 46 THR HA H 1 4.592 . A 46 THR HB H 1 4.634 . A 46 THR HG2% H 1 1.297 . A 46 THR C C 13 173.120 . A 46 THR CA C 13 60.847 . A 46 THR CB C 13 67.976 . A 46 THR CG2 C 13 18.200 . A 46 THR N N 15 117.649 . A 47 CYS H H 1 8.438 . A 47 CYS HA H 1 5.903 . A 47 CYS HBy H 1 2.991 . A 47 CYS HBx H 1 2.607 . A 47 CYS C C 13 174.173 . A 47 CYS CA C 13 55.466 . A 47 CYS CB C 13 31.282 . A 47 CYS N N 15 115.558 . A 48 SER H H 1 8.886 . A 48 SER HA H 1 4.347 . A 48 SER HBx H 1 3.846 . A 48 SER HBy H 1 3.846 . A 48 SER C C 13 176.570 . A 48 SER CA C 13 58.721 . A 48 SER CB C 13 63.973 . A 48 SER N N 15 116.652 . A 49 LYS H H 1 8.946 . A 49 LYS HA H 1 3.849 . A 49 LYS HBx H 1 1.883 . A 49 LYS HBy H 1 1.883 . A 49 LYS HDx H 1 1.721 . A 49 LYS HDy H 1 1.721 . A 49 LYS HEx H 1 3.010 . A 49 LYS HEy H 1 3.010 . A 49 LYS HGy H 1 1.541 . A 49 LYS HGx H 1 1.463 . A 49 LYS C C 13 176.389 . A 49 LYS CA C 13 60.070 . A 49 LYS CB C 13 32.284 . A 49 LYS CD C 13 29.206 . A 49 LYS CE C 13 42.212 . A 49 LYS CG C 13 25.369 . A 49 LYS N N 15 121.604 . A 50 ASP H H 1 7.776 . A 50 ASP HA H 1 4.539 . A 50 ASP HBy H 1 3.104 . A 50 ASP HBx H 1 2.656 . A 50 ASP C C 13 176.713 . A 50 ASP CA C 13 52.713 . A 50 ASP CB C 13 40.461 . A 50 ASP N N 15 113.326 . A 51 GLY H H 1 8.175 . A 51 GLY HAy H 1 4.320 . A 51 GLY HAx H 1 3.731 . A 51 GLY C C 13 172.176 . A 51 GLY CA C 13 46.215 . A 51 GLY N N 15 108.620 . A 52 LYS H H 1 7.413 . A 52 LYS HA H 1 4.110 . A 52 LYS HBy H 1 1.833 . A 52 LYS HBx H 1 1.822 . A 52 LYS HDx H 1 1.718 . A 52 LYS HDy H 1 1.718 . A 52 LYS HEy H 1 3.096 . A 52 LYS HEx H 1 3.016 . A 52 LYS HGx H 1 1.463 . A 52 LYS HGy H 1 1.463 . A 52 LYS C C 13 178.059 . A 52 LYS CA C 13 58.221 . A 52 LYS CB C 13 33.838 . A 52 LYS CD C 13 29.206 . A 52 LYS CE C 13 42.238 . A 52 LYS CG C 13 24.956 . A 52 LYS N N 15 112.840 . A 53 MET H H 1 8.326 . A 53 MET HA H 1 5.231 . A 53 MET HBx H 1 1.790 . A 53 MET HBy H 1 1.790 . A 53 MET HGy H 1 2.666 . A 53 MET HGx H 1 2.392 . A 53 MET C C 13 175.971 . A 53 MET CA C 13 53.303 . A 53 MET CB C 13 34.624 . A 53 MET CG C 13 31.957 . A 53 MET N N 15 116.438 . A 54 LEU H H 1 8.569 . A 54 LEU HA H 1 4.871 . A 54 LEU HBy H 1 1.095 . A 54 LEU HBx H 1 0.954 . A 54 LEU HDx% H 1 1.053 . A 54 LEU HDy% H 1 0.992 . A 54 LEU HG H 1 1.772 . A 54 LEU C C 13 175.045 . A 54 LEU CA C 13 54.351 . A 54 LEU CB C 13 42.751 . A 54 LEU CDx C 13 24.953 . A 54 LEU CDy C 13 25.754 . A 54 LEU CG C 13 27.955 . A 54 LEU N N 15 123.704 . A 55 GLU H H 1 8.779 . A 55 GLU HA H 1 4.665 . A 55 GLU HBx H 1 1.633 . A 55 GLU HBy H 1 1.633 . A 55 GLU HGy H 1 1.933 . A 55 GLU HGx H 1 1.840 . A 55 GLU C C 13 174.591 . A 55 GLU CA C 13 54.024 . A 55 GLU CB C 13 34.459 . A 55 GLU CG C 13 35.459 . A 55 GLU N N 15 121.036 . A 56 TRP H H 1 7.368 . A 56 TRP HA H 1 6.196 . A 56 TRP HBx H 1 2.799 . A 56 TRP HBy H 1 3.392 . A 56 TRP HD1 H 1 5.584 . A 56 TRP HE1 H 1 9.537 . A 56 TRP HE3 H 1 6.941 . A 56 TRP HH2 H 1 6.680 . A 56 TRP HZ2 H 1 5.542 . A 56 TRP HZ3 H 1 6.486 . A 56 TRP C C 13 173.919 . A 56 TRP CA C 13 55.219 . A 56 TRP CB C 13 31.806 . A 56 TRP CD1 C 13 123.455 . A 56 TRP CE3 C 13 119.953 . A 56 TRP CH2 C 13 127.957 . A 56 TRP CZ2 C 13 121.704 . A 56 TRP CZ3 C 13 121.204 . A 56 TRP N N 15 113.793 . A 56 TRP NE1 N 15 126.181 . A 57 TYR H H 1 8.991 . A 57 TYR HA H 1 4.667 . A 57 TYR HBy H 1 3.270 . A 57 TYR HBx H 1 2.722 . A 57 TYR HDx H 1 7.003 . A 57 TYR HDy H 1 7.003 . A 57 TYR HEx H 1 6.648 . A 57 TYR HEy H 1 6.648 . A 57 TYR C C 13 175.372 . A 57 TYR CA C 13 57.220 . A 57 TYR CB C 13 42.948 . A 57 TYR CDx C 13 132.960 . A 57 TYR CDy C 13 132.960 . A 57 TYR CEx C 13 118.702 . A 57 TYR CEy C 13 118.702 . A 57 TYR N N 15 118.207 . A 58 LYS H H 1 8.778 . A 58 LYS HA H 1 4.559 . A 58 LYS HBy H 1 2.035 . A 58 LYS HBx H 1 1.897 . A 58 LYS HDx H 1 1.837 . A 58 LYS HDy H 1 1.837 . A 58 LYS HEx H 1 3.095 . A 58 LYS HEy H 1 3.095 . A 58 LYS HGy H 1 1.672 . A 58 LYS HGx H 1 1.623 . A 58 LYS C C 13 177.061 . A 58 LYS CA C 13 56.970 . A 58 LYS CB C 13 33.941 . A 58 LYS CD C 13 29.509 . A 58 LYS CE C 13 42.213 . A 58 LYS CG C 13 25.300 . A 58 LYS N N 15 121.005 . A 59 GLY H H 1 8.586 . A 59 GLY HAx H 1 3.954 . A 59 GLY HAy H 1 3.954 . A 59 GLY C C 13 173.647 . A 59 GLY CA C 13 45.766 . A 59 GLY N N 15 110.819 . A 60 LYS H H 1 8.140 . A 60 LYS HA H 1 4.333 . A 60 LYS HBx H 1 1.855 . A 60 LYS HBy H 1 1.855 . A 60 LYS HDx H 1 1.709 . A 60 LYS HDy H 1 1.709 . A 60 LYS HEx H 1 3.003 . A 60 LYS HEy H 1 3.003 . A 60 LYS HGy H 1 1.449 . A 60 LYS HGx H 1 1.395 . A 60 LYS C C 13 176.244 . A 60 LYS CA C 13 56.383 . A 60 LYS CB C 13 33.444 . A 60 LYS CD C 13 29.281 . A 60 LYS CE C 13 42.213 . A 60 LYS CG C 13 24.703 . A 60 LYS N N 15 119.737 . A 61 ASN H H 1 8.141 . A 63 SER HA H 1 7.422 . A 63 SER C C 13 174.664 . A 63 SER CA C 13 58.939 . A 63 SER CB C 13 64.058 . A 64 ASP H H 1 8.231 . A 64 ASP HA H 1 4.614 . A 64 ASP HBx H 1 2.720 . A 64 ASP HBy H 1 2.720 . A 64 ASP C C 13 176.879 . A 64 ASP CA C 13 54.614 . A 64 ASP CB C 13 41.178 . A 64 ASP N N 15 121.546 . A 65 GLY H H 1 8.231 . A 65 GLY HAy H 1 3.998 . A 65 GLY HAx H 1 3.951 . A 65 GLY C C 13 174.482 . A 65 GLY CA C 13 45.766 . A 65 GLY N N 15 109.203 . A 66 LYS H H 1 8.205 . A 66 LYS HA H 1 4.343 . A 66 LYS HBx H 1 1.818 . A 66 LYS HBy H 1 1.818 . A 66 LYS HDx H 1 1.711 . A 66 LYS HDy H 1 1.711 . A 66 LYS HEx H 1 3.011 . A 66 LYS HEy H 1 3.011 . A 66 LYS HGx H 1 1.445 . A 66 LYS HGy H 1 1.445 . A 66 LYS C C 13 176.752 . A 66 LYS CA C 13 56.449 . A 66 LYS CB C 13 32.708 . A 66 LYS CD C 13 29.192 . A 66 LYS CE C 13 42.161 . A 66 LYS CG C 13 24.703 . A 66 LYS N N 15 120.083 . A 67 LYS H H 1 8.128 . A 67 LYS HA H 1 4.446 . A 67 LYS HBx H 1 1.924 . A 67 LYS HBy H 1 1.924 . A 67 LYS HDx H 1 1.722 . A 67 LYS HDy H 1 1.722 . A 67 LYS HEx H 1 3.028 . A 67 LYS HEy H 1 3.028 . A 67 LYS HGx H 1 1.531 . A 67 LYS HGy H 1 1.531 . A 67 LYS C C 13 176.007 . A 67 LYS CA C 13 56.055 . A 67 LYS CB C 13 33.510 . A 67 LYS CD C 13 29.102 . A 67 LYS CE C 13 42.251 . A 67 LYS CG C 13 24.684 . A 67 LYS N N 15 121.226 . A 68 LYS H H 1 8.307 . A 68 LYS HA H 1 4.674 . A 68 LYS HBx H 1 1.694 . A 68 LYS HBy H 1 1.694 . A 68 LYS HDx H 1 1.768 . A 68 LYS HDy H 1 1.768 . A 68 LYS HEx H 1 3.009 . A 68 LYS HEy H 1 3.009 . A 68 LYS HGx H 1 1.528 . A 68 LYS HGy H 1 1.528 . A 68 LYS C C 13 173.792 . A 68 LYS CA C 13 53.922 . A 68 LYS CB C 13 32.708 . A 68 LYS CD C 13 28.746 . A 68 LYS CE C 13 42.223 . A 68 LYS CG C 13 24.505 . A 68 LYS N N 15 122.520 . A 69 PRO HA H 1 3.414 . A 69 PRO HBy H 1 1.397 . A 69 PRO HBx H 1 1.045 . A 69 PRO HDy H 1 3.709 . A 69 PRO HDx H 1 3.552 . A 69 PRO HGx H 1 1.554 . A 69 PRO HGy H 1 1.554 . A 69 PRO C C 13 177.097 . A 69 PRO CA C 13 63.003 . A 69 PRO CB C 13 31.622 . A 69 PRO CD C 13 50.217 . A 69 PRO CG C 13 26.204 . A 70 ILE H H 1 8.417 . A 70 ILE HA H 1 4.020 . A 70 ILE HB H 1 1.821 . A 70 ILE HD1% H 1 0.953 . A 70 ILE HG1y H 1 1.422 . A 70 ILE HG1x H 1 1.085 . A 70 ILE HG2% H 1 0.936 . A 70 ILE C C 13 176.135 . A 70 ILE CA C 13 61.723 . A 70 ILE CB C 13 38.425 . A 70 ILE CD1 C 13 14.165 . A 70 ILE CG1 C 13 27.969 . A 70 ILE CG2 C 13 18.280 . A 70 ILE N N 15 118.177 . A 71 GLY H H 1 6.327 . A 71 GLY HAy H 1 3.718 . A 71 GLY HAx H 1 3.025 . A 71 GLY C C 13 168.780 . A 71 GLY CA C 13 44.258 . A 71 GLY N N 15 107.313 . A 72 SER H H 1 7.202 . A 72 SER HA H 1 4.672 . A 72 SER HBy H 1 3.696 . A 72 SER HBx H 1 3.524 . A 72 SER C C 13 173.810 . A 72 SER CA C 13 57.288 . A 72 SER CB C 13 66.022 . A 72 SER N N 15 109.194 . A 73 PHE H H 1 8.386 . A 73 PHE HA H 1 5.188 . A 73 PHE HBy H 1 3.415 . A 73 PHE HBx H 1 3.208 . A 73 PHE HDx H 1 6.965 . A 73 PHE HDy H 1 6.965 . A 73 PHE HEx H 1 6.649 . A 73 PHE HEy H 1 6.659 . A 73 PHE HZ H 1 6.680 . A 73 PHE C C 13 171.867 . A 73 PHE CA C 13 56.252 . A 73 PHE CB C 13 39.277 . A 73 PHE CDx C 13 133.460 . A 73 PHE CDy C 13 133.460 . A 73 PHE CEx C 13 129.708 . A 73 PHE CEy C 13 129.708 . A 73 PHE CZ C 13 127.957 . A 73 PHE N N 15 112.678 . A 74 PRO HA H 1 5.339 . A 74 PRO HBy H 1 2.429 . A 74 PRO HBx H 1 2.169 . A 74 PRO HDx H 1 4.132 . A 74 PRO HDy H 1 4.132 . A 74 PRO HGy H 1 2.249 . A 74 PRO HGx H 1 2.029 . A 74 PRO C C 13 178.659 . A 74 PRO CA C 13 62.186 . A 74 PRO CB C 13 31.957 . A 74 PRO CD C 13 51.463 . A 74 PRO CG C 13 28.400 . A 75 LEU H H 1 8.788 . A 75 LEU HA H 1 4.108 . A 75 LEU HBy H 1 1.675 . A 75 LEU HBx H 1 1.448 . A 75 LEU HDx% H 1 0.841 . A 75 LEU HDy% H 1 0.841 . A 75 LEU HG H 1 1.594 . A 75 LEU C C 13 179.530 . A 75 LEU CA C 13 57.721 . A 75 LEU CB C 13 42.274 . A 75 LEU CDx C 13 25.454 . A 75 LEU CDy C 13 25.454 . A 75 LEU CG C 13 27.955 . A 75 LEU N N 15 125.066 . A 76 ASN H H 1 8.784 . A 76 ASN HA H 1 4.541 . A 76 ASN HBy H 1 3.235 . A 76 ASN HBx H 1 2.859 . A 76 ASN HD2x H 1 6.518 . A 76 ASN HD2y H 1 6.518 . A 76 ASN C C 13 176.280 . A 76 ASN CA C 13 54.043 . A 76 ASN CB C 13 36.994 . A 76 ASN N N 15 114.174 . A 76 ASN ND2 N 15 108.647 . A 77 LYS H H 1 7.536 . A 77 LYS HA H 1 4.670 . A 77 LYS HBy H 1 2.453 . A 77 LYS HBx H 1 1.906 . A 77 LYS HDx H 1 1.783 . A 77 LYS HDy H 1 1.783 . A 77 LYS HEx H 1 2.997 . A 77 LYS HEy H 1 2.997 . A 77 LYS HGx H 1 1.560 . A 77 LYS HGy H 1 1.560 . A 77 LYS C C 13 176.205 . A 77 LYS CA C 13 54.308 . A 77 LYS CB C 13 32.566 . A 77 LYS CD C 13 28.251 . A 77 LYS CE C 13 42.108 . A 77 LYS CG C 13 24.453 . A 77 LYS N N 15 117.210 . A 78 ILE H H 1 7.335 . A 78 ILE HA H 1 4.207 . A 78 ILE HB H 1 1.859 . A 78 ILE HD1% H 1 1.175 . A 78 ILE HG1x H 1 2.253 . A 78 ILE HG1y H 1 2.253 . A 78 ILE HG2% H 1 0.908 . A 78 ILE C C 13 177.115 . A 78 ILE CA C 13 63.461 . A 78 ILE CB C 13 39.211 . A 78 ILE CD1 C 13 14.613 . A 78 ILE CG1 C 13 28.341 . A 78 ILE CG2 C 13 17.117 . A 78 ILE N N 15 120.660 . A 79 THR H H 1 9.304 . A 79 THR HA H 1 4.522 . A 79 THR HB H 1 4.210 . A 79 THR HG2% H 1 1.187 . A 79 THR C C 13 175.608 . A 79 THR CA C 13 61.973 . A 79 THR CB C 13 69.294 . A 79 THR CG2 C 13 22.702 . A 79 THR N N 15 120.816 . A 80 SER H H 1 7.424 . A 80 SER HA H 1 4.645 . A 80 SER HBx H 1 3.855 . A 80 SER HBy H 1 3.855 . A 80 SER C C 13 172.140 . A 80 SER CA C 13 58.753 . A 80 SER CB C 13 65.005 . A 80 SER N N 15 115.348 . A 81 ILE H H 1 8.467 . A 81 ILE HA H 1 4.894 . A 81 ILE HB H 1 1.913 . A 81 ILE HD1% H 1 0.960 . A 81 ILE HG1y H 1 1.677 . A 81 ILE HG1x H 1 1.084 . A 81 ILE HG2% H 1 0.982 . A 81 ILE C C 13 177.097 . A 81 ILE CA C 13 61.566 . A 81 ILE CB C 13 40.462 . A 81 ILE CD1 C 13 14.434 . A 81 ILE CG1 C 13 27.982 . A 81 ILE CG2 C 13 18.101 . A 81 ILE N N 15 123.866 . A 82 ARG H H 1 9.006 . A 82 ARG HA H 1 5.000 . A 82 ARG HBy H 1 1.972 . A 82 ARG HBx H 1 1.821 . A 82 ARG HDx H 1 3.218 . A 82 ARG HDy H 1 3.227 . A 82 ARG HGx H 1 1.592 . A 82 ARG HGy H 1 1.716 . A 82 ARG C C 13 175.154 . A 82 ARG CA C 13 54.694 . A 82 ARG CB C 13 34.227 . A 82 ARG CD C 13 43.713 . A 82 ARG CG C 13 26.704 . A 82 ARG N N 15 124.657 . A 83 THR H H 1 8.615 . A 83 THR HA H 1 4.473 . A 83 THR HB H 1 4.132 . A 83 THR HG2% H 1 1.279 . A 83 THR C C 13 173.865 . A 83 THR CA C 13 61.973 . A 83 THR CB C 13 69.753 . A 83 THR CG2 C 13 21.952 . A 83 THR N N 15 118.182 . A 84 LYS H H 1 8.411 . A 84 LYS HA H 1 4.539 . A 84 LYS HBy H 1 2.075 . A 84 LYS HBx H 1 1.647 . A 84 LYS HDy H 1 1.714 . A 84 LYS HDx H 1 1.637 . A 84 LYS HEx H 1 3.007 . A 84 LYS HEy H 1 3.007 . A 84 LYS HGy H 1 1.482 . A 84 LYS HGx H 1 1.364 . A 84 LYS C C 13 177.297 . A 84 LYS CA C 13 54.810 . A 84 LYS CB C 13 32.855 . A 84 LYS CD C 13 28.208 . A 84 LYS CE C 13 42.212 . A 84 LYS CG C 13 24.031 . A 84 LYS N N 15 124.874 . A 85 VAL H H 1 8.392 . A 85 VAL HA H 1 3.801 . A 85 VAL HB H 1 2.159 . A 85 VAL HGx% H 1 1.036 . A 85 VAL HGy% H 1 1.031 . A 85 VAL C C 13 176.044 . A 85 VAL CA C 13 64.724 . A 85 VAL CB C 13 31.609 . A 85 VAL CGx C 13 20.695 . A 85 VAL CGy C 13 20.695 . A 85 VAL N N 15 122.623 . A 86 ASP H H 1 8.224 . A 86 ASP HA H 1 4.561 . A 86 ASP HBy H 1 2.859 . A 86 ASP HBx H 1 2.634 . A 86 ASP C C 13 176.244 . A 86 ASP CA C 13 53.565 . A 86 ASP CB C 13 40.211 . A 86 ASP N N 15 115.699 . A 87 ASN H H 1 7.427 . A 87 ASN HA H 1 4.720 . A 87 ASN HBy H 1 2.855 . A 87 ASN HBx H 1 2.743 . A 87 ASN C C 13 175.172 . A 87 ASN CA C 13 53.484 . A 87 ASN CB C 13 38.133 . A 87 ASN N N 15 115.890 . A 88 LEU H H 1 8.959 . A 88 LEU HA H 1 4.504 . A 88 LEU HBy H 1 1.942 . A 88 LEU HBx H 1 1.514 . A 88 LEU HDx% H 1 1.016 . A 88 LEU HDy% H 1 0.963 . A 88 LEU HG H 1 1.866 . A 88 LEU C C 13 178.096 . A 88 LEU CA C 13 56.720 . A 88 LEU CB C 13 41.962 . A 88 LEU CDy C 13 25.204 . A 88 LEU CDx C 13 22.952 . A 88 LEU CG C 13 27.403 . A 88 LEU N N 15 123.704 . A 89 LYS H H 1 8.093 . A 89 LYS HA H 1 4.225 . A 89 LYS HBy H 1 2.363 . A 89 LYS HBx H 1 1.822 . A 89 LYS HDx H 1 1.674 . A 89 LYS HDy H 1 1.674 . A 89 LYS HEx H 1 3.098 . A 89 LYS HEy H 1 3.098 . A 89 LYS HGx H 1 1.031 . A 89 LYS HGy H 1 1.532 . A 89 LYS C C 13 175.590 . A 89 LYS CA C 13 57.409 . A 89 LYS CB C 13 31.893 . A 89 LYS CD C 13 29.706 . A 89 LYS CE C 13 42.161 . A 89 LYS CG C 13 26.078 . A 89 LYS N N 15 117.605 . A 90 SER H H 1 8.138 . A 90 SER HA H 1 6.086 . A 90 SER HBy H 1 3.844 . A 90 SER HBx H 1 3.795 . A 90 SER C C 13 172.521 . A 90 SER CA C 13 57.721 . A 90 SER CB C 13 67.001 . A 90 SER N N 15 114.925 . A 91 LEU H H 1 9.441 . A 91 LEU HA H 1 4.908 . A 91 LEU HBy H 1 2.005 . A 91 LEU HBx H 1 1.470 . A 91 LEU HDx% H 1 1.009 . A 91 LEU HDy% H 1 1.009 . A 91 LEU HG H 1 1.756 . A 91 LEU C C 13 173.974 . A 91 LEU CA C 13 54.089 . A 91 LEU CB C 13 47.535 . A 91 LEU CDx C 13 24.954 . A 91 LEU CDy C 13 24.954 . A 91 LEU CG C 13 26.704 . A 91 LEU N N 15 121.708 . A 92 GLU H H 1 9.509 . A 92 GLU HA H 1 5.448 . A 92 GLU HBy H 1 2.075 . A 92 GLU HBx H 1 1.817 . A 92 GLU HGy H 1 2.063 . A 92 GLU HGx H 1 1.965 . A 92 GLU C C 13 175.844 . A 92 GLU CA C 13 54.719 . A 92 GLU CB C 13 33.444 . A 92 GLU CG C 13 37.710 . A 92 GLU N N 15 125.440 . A 93 ILE H H 1 9.549 . A 93 ILE HA H 1 4.988 . A 93 ILE HB H 1 1.914 . A 93 ILE HD1% H 1 0.883 . A 93 ILE HG1y H 1 1.830 . A 93 ILE HG1x H 1 1.174 . A 93 ILE HG2% H 1 0.956 . A 93 ILE C C 13 175.227 . A 93 ILE CA C 13 60.972 . A 93 ILE CB C 13 40.962 . A 93 ILE CD1 C 13 13.450 . A 93 ILE CG1 C 13 28.162 . A 93 ILE CG2 C 13 18.101 . A 93 ILE N N 15 128.483 . A 94 SER H H 1 8.882 . A 94 SER HA H 1 5.545 . A 94 SER HBy H 1 3.810 . A 94 SER HBx H 1 3.786 . A 94 SER C C 13 173.538 . A 94 SER CA C 13 57.733 . A 94 SER CB C 13 64.603 . A 94 SER N N 15 123.902 . A 95 VAL H H 1 8.967 . A 95 VAL HA H 1 4.742 . A 95 VAL HB H 1 1.788 . A 95 VAL HGx% H 1 0.178 . A 95 VAL HGy% H 1 0.680 . A 95 VAL C C 13 175.644 . A 95 VAL CA C 13 60.458 . A 95 VAL CB C 13 35.959 . A 95 VAL CGy C 13 21.427 . A 95 VAL CGx C 13 21.410 . A 95 VAL N N 15 124.466 . A 96 SER H H 1 8.715 . A 96 SER HA H 1 4.645 . A 96 SER HBy H 1 3.935 . A 96 SER HBx H 1 3.855 . A 96 SER C C 13 173.756 . A 96 SER CA C 13 57.220 . A 96 SER CB C 13 62.973 . A 96 SER N N 15 120.686 . A 97 SER H H 1 7.854 . A 97 SER HA H 1 4.648 . A 97 SER HBy H 1 3.971 . A 97 SER HBx H 1 3.850 . A 97 SER C C 13 174.664 . A 97 SER CA C 13 57.235 . A 97 SER CB C 13 63.473 . A 97 SER N N 15 120.273 . A 98 VAL H H 1 8.427 . A 98 VAL HA H 1 3.975 . A 98 VAL HB H 1 1.512 . A 98 VAL HGx% H 1 1.210 . A 98 VAL HGy% H 1 1.202 . A 98 VAL C C 13 177.297 . A 98 VAL CA C 13 54.602 . A 98 VAL CB C 13 41.200 . A 98 VAL CGx C 13 23.953 . A 98 VAL CGy C 13 25.954 . A 98 VAL N N 15 122.126 . A 99 HIS H H 1 8.142 . A 99 HIS HA H 1 4.446 . A 99 HIS HBx H 1 1.809 . A 99 HIS HBy H 1 1.809 . A 99 HIS HE1 H 1 8.634 . A 99 HIS C C 13 174.863 . A 99 HIS CA C 13 56.043 . A 99 HIS CB C 13 31.957 . A 99 HIS N N 15 119.702 . A 100 ILE H H 1 8.122 . A 100 ILE HA H 1 4.445 . A 100 ILE HB H 1 1.963 . A 100 ILE HD1% H 1 0.879 . A 100 ILE HG1y H 1 1.508 . A 100 ILE HG1x H 1 1.179 . A 100 ILE HG2% H 1 0.648 . A 100 ILE C C 13 175.917 . A 100 ILE CA C 13 60.774 . A 100 ILE CB C 13 37.705 . A 100 ILE CD1 C 13 12.287 . A 100 ILE CG1 C 13 27.220 . A 100 ILE CG2 C 13 17.743 . A 100 ILE N N 15 121.300 . A 101 SER H H 1 8.663 . A 101 SER HA H 1 4.914 . A 101 SER HBy H 1 3.952 . A 101 SER HBx H 1 3.864 . A 101 SER C C 13 173.665 . A 101 SER CA C 13 58.022 . A 101 SER CB C 13 65.690 . A 101 SER N N 15 121.798 . A 102 THR H H 1 7.518 . A 102 THR HA H 1 5.108 . A 102 THR HB H 1 3.758 . A 102 THR HG2% H 1 1.063 . A 102 THR C C 13 172.648 . A 102 THR CA C 13 61.723 . A 102 THR CB C 13 70.977 . A 102 THR CG2 C 13 21.679 . A 102 THR N N 15 116.204 . A 103 TYR H H 1 9.102 . A 103 TYR HA H 1 4.407 . A 103 TYR HBy H 1 2.886 . A 103 TYR HBx H 1 2.428 . A 103 TYR HDx H 1 6.643 . A 103 TYR HDy H 1 6.643 . A 103 TYR HEy H 1 6.841 . A 103 TYR HEx H 1 6.810 . A 103 TYR C C 13 173.411 . A 103 TYR CA C 13 57.220 . A 103 TYR CB C 13 42.582 . A 103 TYR CDx C 13 132.960 . A 103 TYR CDy C 13 132.960 . A 103 TYR CEx C 13 130.459 . A 103 TYR CEy C 13 130.459 . A 103 TYR N N 15 124.806 . A 104 LEU H H 1 8.311 . A 104 LEU HA H 1 5.301 . A 104 LEU HBy H 1 1.938 . A 104 LEU HBx H 1 1.417 . A 104 LEU HDx% H 1 0.834 . A 104 LEU HDy% H 1 0.906 . A 104 LEU HG H 1 1.422 . A 104 LEU C C 13 175.372 . A 104 LEU CA C 13 53.468 . A 104 LEU CB C 13 44.324 . A 104 LEU CDy C 13 25.454 . A 104 LEU CDx C 13 24.203 . A 104 LEU CG C 13 27.455 . A 104 LEU N N 15 124.466 . A 105 PHE H H 1 9.497 . A 105 PHE HA H 1 5.203 . A 105 PHE HBy H 1 3.017 . A 105 PHE HBx H 1 2.266 . A 105 PHE HDx H 1 6.873 . A 105 PHE HDy H 1 6.873 . A 105 PHE HEy H 1 6.521 . A 105 PHE HEx H 1 6.519 . A 105 PHE HZ H 1 7.203 . A 105 PHE C C 13 175.572 . A 105 PHE CA C 13 55.990 . A 105 PHE CB C 13 41.800 . A 105 PHE CDx C 13 118.452 . A 105 PHE CDy C 13 118.452 . A 105 PHE CEx C 13 130.708 . A 105 PHE CEy C 13 130.708 . A 105 PHE CZ C 13 130.208 . A 105 PHE N N 15 127.516 . A 106 THR H H 1 8.986 . A 106 THR HA H 1 4.867 . A 106 THR HB H 1 3.769 . A 106 THR HG2% H 1 1.211 . A 106 THR C C 13 173.538 . A 106 THR CA C 13 63.223 . A 106 THR CB C 13 70.498 . A 106 THR CG2 C 13 21.589 . A 106 THR N N 15 118.180 . A 107 PHE H H 1 8.884 . A 107 PHE HA H 1 4.626 . A 107 PHE HBy H 1 3.554 . A 107 PHE HBx H 1 3.106 . A 107 PHE HDx H 1 7.343 . A 107 PHE HDy H 1 7.343 . A 107 PHE HEx H 1 6.089 . A 107 PHE HEy H 1 6.089 . A 107 PHE HZ H 1 4.868 . A 107 PHE C C 13 175.644 . A 107 PHE CA C 13 57.220 . A 107 PHE CB C 13 41.256 . A 107 PHE CDx C 13 131.959 . A 107 PHE CDy C 13 131.959 . A 107 PHE CEx C 13 121.704 . A 107 PHE CEy C 13 121.704 . A 107 PHE CZ C 13 127.207 . A 107 PHE N N 15 128.882 . A 108 LYS H H 1 9.345 . A 108 LYS HA H 1 4.110 . A 108 LYS HBy H 1 2.119 . A 108 LYS HBx H 1 2.027 . A 108 LYS HDy H 1 1.883 . A 108 LYS HDx H 1 1.772 . A 108 LYS HEx H 1 3.097 . A 108 LYS HEy H 1 3.097 . A 108 LYS HGx H 1 1.606 . A 108 LYS HGy H 1 1.606 . A 108 LYS C C 13 177.569 . A 108 LYS CA C 13 59.529 . A 108 LYS CB C 13 33.576 . A 108 LYS CD C 13 29.956 . A 108 LYS CE C 13 42.161 . A 108 LYS CG C 13 25.454 . A 108 LYS N N 15 118.367 . A 109 THR H H 1 7.155 . A 109 THR HA H 1 4.773 . A 109 THR HB H 1 4.760 . A 109 THR HG2% H 1 1.312 . A 109 THR C C 13 174.482 . A 109 THR CA C 13 58.661 . A 109 THR CB C 13 74.038 . A 109 THR CG2 C 13 22.202 . A 109 THR N N 15 125.998 . A 110 ARG H H 1 9.299 . A 110 ARG HA H 1 4.135 . A 110 ARG HBy H 1 1.887 . A 110 ARG HBx H 1 1.777 . A 110 ARG HDx H 1 3.224 . A 110 ARG HDy H 1 3.224 . A 110 ARG HGx H 1 1.600 . A 110 ARG HGy H 1 1.600 . A 110 ARG HH2x H 1 7.147 . A 110 ARG HH2y H 1 7.147 . A 110 ARG C C 13 177.442 . A 110 ARG CA C 13 59.267 . A 110 ARG CB C 13 29.905 . A 110 ARG CD C 13 43.713 . A 110 ARG CG C 13 26.721 . A 110 ARG N N 15 123.166 . A 111 GLU H H 1 9.275 . A 111 GLU HA H 1 4.057 . A 111 GLU HBy H 1 2.146 . A 111 GLU HBx H 1 1.997 . A 111 GLU HGy H 1 2.548 . A 111 GLU HGx H 1 2.313 . A 111 GLU C C 13 179.585 . A 111 GLU CA C 13 60.722 . A 111 GLU CB C 13 28.529 . A 111 GLU CG C 13 37.210 . A 111 GLU N N 15 119.702 . A 112 GLU H H 1 8.114 . A 112 GLU HA H 1 4.077 . A 112 GLU HBx H 1 2.253 . A 112 GLU HBy H 1 2.253 . A 112 GLU HGy H 1 2.491 . A 112 GLU HGx H 1 2.365 . A 112 GLU C C 13 177.969 . A 112 GLU CA C 13 59.726 . A 112 GLU CB C 13 30.957 . A 112 GLU CG C 13 38.136 . A 112 GLU N N 15 120.273 . A 113 ARG H H 1 7.351 . A 113 ARG HA H 1 2.316 . A 113 ARG HBx H 1 2.303 . A 113 ARG HBy H 1 2.303 . A 113 ARG HDx H 1 3.172 . A 113 ARG HDy H 1 3.172 . A 113 ARG HGy H 1 1.767 . A 113 ARG HGx H 1 1.434 . A 113 ARG C C 13 178.043 . A 113 ARG CA C 13 59.722 . A 113 ARG CB C 13 26.736 . A 113 ARG CD C 13 42.321 . A 113 ARG CG C 13 26.704 . A 113 ARG N N 15 120.273 . A 114 GLU H H 1 8.656 . A 114 GLU HA H 1 3.887 . A 114 GLU HBy H 1 2.109 . A 114 GLU HBx H 1 2.021 . A 114 GLU HGy H 1 2.359 . A 114 GLU HGx H 1 2.268 . A 114 GLU C C 13 178.622 . A 114 GLU CA C 13 59.922 . A 114 GLU CB C 13 30.233 . A 114 GLU CG C 13 36.367 . A 114 GLU N N 15 119.076 . A 115 SER H H 1 8.141 . A 115 SER HA H 1 4.266 . A 115 SER HBy H 1 4.043 . A 115 SER HBx H 1 3.956 . A 115 SER C C 13 181.056 . A 115 SER CA C 13 61.495 . A 115 SER CB C 13 63.134 . A 115 SER N N 15 113.221 . A 116 TRP H H 1 8.136 . A 116 TRP HA H 1 4.205 . A 116 TRP HBy H 1 3.028 . A 116 TRP HBx H 1 2.904 . A 116 TRP HD1 H 1 7.227 . A 116 TRP HE1 H 1 10.948 . A 116 TRP HE3 H 1 6.961 . A 116 TRP HH2 H 1 6.680 . A 116 TRP HZ2 H 1 6.562 . A 116 TRP HZ3 H 1 6.655 . A 116 TRP C C 13 177.605 . A 116 TRP CA C 13 63.330 . A 116 TRP CB C 13 29.956 . A 116 TRP CD1 C 13 126.206 . A 116 TRP CH2 C 13 128.457 . A 116 TRP CZ2 C 13 123.455 . A 116 TRP CZ3 C 13 129.708 . A 116 TRP N N 15 124.551 . A 116 TRP NE1 N 15 130.108 . A 117 GLN H H 1 8.898 . A 117 GLN HA H 1 3.681 . A 117 GLN HBy H 1 2.342 . A 117 GLN HBx H 1 2.212 . A 117 GLN HGx H 1 2.424 . A 117 GLN HGy H 1 2.424 . A 117 GLN C C 13 177.769 . A 117 GLN CA C 13 60.070 . A 117 GLN CB C 13 28.706 . A 117 GLN CG C 13 32.315 . A 117 GLN N N 15 118.400 . A 118 ASN H H 1 8.233 . A 118 ASN HA H 1 4.463 . A 118 ASN HBy H 1 2.939 . A 118 ASN HBx H 1 2.843 . A 118 ASN HD2y H 1 7.559 . A 118 ASN HD2x H 1 6.996 . A 118 ASN C C 13 178.641 . A 118 ASN CA C 13 56.187 . A 118 ASN CB C 13 38.163 . A 118 ASN N N 15 116.271 . A 118 ASN ND2 N 15 112.840 . A 119 ASN H H 1 8.323 . A 119 ASN HA H 1 4.647 . A 119 ASN HBy H 1 2.809 . A 119 ASN HBx H 1 2.321 . A 119 ASN HD2x H 1 7.082 . A 119 ASN HD2y H 1 7.576 . A 119 ASN C C 13 176.770 . A 119 ASN CA C 13 56.842 . A 119 ASN CB C 13 38.711 . A 119 ASN N N 15 120.111 . A 119 ASN ND2 N 15 115.318 . A 120 LEU H H 1 8.967 . A 120 LEU HA H 1 3.803 . A 120 LEU HBy H 1 1.607 . A 120 LEU HBx H 1 0.468 . A 120 LEU HDx% H 1 0.689 . A 120 LEU HDy% H 1 0.689 . A 120 LEU HG H 1 0.772 . A 120 LEU C C 13 178.731 . A 120 LEU CA C 13 58.191 . A 120 LEU CB C 13 39.991 . A 120 LEU CDx C 13 22.952 . A 120 LEU CDy C 13 22.952 . A 120 LEU CG C 13 26.954 . A 120 LEU N N 15 123.322 . A 121 GLU H H 1 8.260 . A 121 GLU HA H 1 4.343 . A 121 GLU HBy H 1 2.187 . A 121 GLU HBx H 1 2.038 . A 121 GLU HGy H 1 2.413 . A 121 GLU HGx H 1 2.375 . A 121 GLU C C 13 180.366 . A 121 GLU CA C 13 59.464 . A 121 GLU CB C 13 29.250 . A 121 GLU CG C 13 35.457 . A 121 GLU N N 15 118.370 . A 122 SER H H 1 8.067 . A 122 SER HA H 1 4.197 . A 122 SER HBx H 1 4.070 . A 122 SER HBy H 1 4.070 . A 122 SER C C 13 172.140 . A 122 SER CA C 13 61.888 . A 122 SER CB C 13 62.723 . A 122 SER N N 15 115.463 . A 123 PHE H H 1 8.463 . A 123 PHE HA H 1 3.793 . A 123 PHE HBx H 1 2.743 . A 123 PHE HBy H 1 2.743 . A 123 PHE HDx H 1 6.517 . A 123 PHE HDy H 1 6.517 . A 123 PHE HEx H 1 7.200 . A 123 PHE HEy H 1 7.200 . A 123 PHE C C 13 177.115 . A 123 PHE CA C 13 59.721 . A 123 PHE CB C 13 39.474 . A 123 PHE CDx C 13 130.709 . A 123 PHE CDy C 13 130.709 . A 123 PHE CEx C 13 130.208 . A 123 PHE CEy C 13 130.208 . A 123 PHE N N 15 123.854 . A 124 ARG H H 1 8.791 . A 124 ARG HA H 1 3.578 . A 124 ARG HBy H 1 1.878 . A 124 ARG HBx H 1 1.876 . A 124 ARG HDx H 1 3.081 . A 124 ARG HDy H 1 3.081 . A 124 ARG HE H 1 7.537 . A 124 ARG HGx H 1 1.592 . A 124 ARG HGy H 1 1.592 . A 124 ARG HH1x H 1 7.688 . A 124 ARG HH1y H 1 7.688 . A 124 ARG HH2x H 1 7.565 . A 124 ARG HH2y H 1 7.565 . A 124 ARG C C 13 178.877 . A 124 ARG CA C 13 59.721 . A 124 ARG CB C 13 29.956 . A 124 ARG CD C 13 43.963 . A 124 ARG CG C 13 27.767 . A 124 ARG N N 15 117.224 . A 124 ARG NE N 15 92.823 . A 124 ARG NHx N 15 91.684 . A 124 ARG NHy N 15 95.877 . A 125 LYS H H 1 7.274 . A 125 LYS HA H 1 4.040 . A 125 LYS HBx H 1 1.962 . A 125 LYS HBy H 1 1.962 . A 125 LYS HDx H 1 1.713 . A 125 LYS HDy H 1 1.714 . A 125 LYS HEx H 1 3.016 . A 125 LYS HEy H 1 3.016 . A 125 LYS HGx H 1 1.433 . A 125 LYS HGy H 1 1.611 . A 125 LYS C C 13 179.585 . A 125 LYS CA C 13 59.551 . A 125 LYS CB C 13 32.223 . A 125 LYS CD C 13 29.281 . A 125 LYS CE C 13 42.212 . A 125 LYS CG C 13 25.200 . A 125 LYS N N 15 118.177 . A 126 ILE H H 1 7.559 . A 126 ILE HA H 1 3.824 . A 126 ILE HB H 1 1.858 . A 126 ILE HD1% H 1 0.861 . A 126 ILE HG1y H 1 1.624 . A 126 ILE HG1x H 1 1.250 . A 126 ILE HG2% H 1 0.878 . A 126 ILE C C 13 178.332 . A 126 ILE CA C 13 64.499 . A 126 ILE CB C 13 37.968 . A 126 ILE CD1 C 13 14.165 . A 126 ILE CG1 C 13 28.925 . A 126 ILE CG2 C 13 17.207 . A 126 ILE N N 15 120.319 . A 127 MET H H 1 7.688 . A 127 MET HA H 1 4.436 . A 127 MET HBx H 1 1.513 . A 127 MET HBy H 1 1.513 . A 127 MET HE% H 1 1.255 . A 127 MET HGy H 1 1.881 . A 127 MET HGx H 1 1.241 . A 127 MET C C 13 177.860 . A 127 MET CA C 13 54.469 . A 127 MET CB C 13 29.905 . A 127 MET CG C 13 31.158 . A 127 MET N N 15 116.127 . A 128 SER H H 1 7.569 . A 128 SER HA H 1 4.387 . A 128 SER HBx H 1 3.998 . A 128 SER HBy H 1 3.998 . A 128 SER C C 13 174.391 . A 128 SER CA C 13 59.517 . A 128 SER CB C 13 63.539 . A 128 SER N N 15 114.365 . A 129 MET H H 1 7.640 . A 129 MET HA H 1 4.466 . A 129 MET HBy H 1 2.205 . A 129 MET HBx H 1 2.047 . A 129 MET HGy H 1 2.716 . A 129 MET HGx H 1 2.609 . A 129 MET C C 13 175.190 . A 129 MET CA C 13 55.943 . A 129 MET CB C 13 33.100 . A 129 MET CG C 13 32.207 . A 129 MET N N 15 121.036 . A 130 LYS H H 1 7.868 . A 130 LYS HA H 1 4.131 . A 130 LYS HBy H 1 1.839 . A 130 LYS HBx H 1 1.741 . A 130 LYS HDx H 1 1.715 . A 130 LYS HDy H 1 1.715 . A 130 LYS HEx H 1 3.005 . A 130 LYS HEy H 1 3.005 . A 130 LYS HGx H 1 1.438 . A 130 LYS HGy H 1 1.438 . A 130 LYS C C 13 181.310 . A 130 LYS CA C 13 57.721 . A 130 LYS CB C 13 33.708 . A 130 LYS CD C 13 29.281 . A 130 LYS CE C 13 42.212 . A 130 LYS CG C 13 24.954 . A 130 LYS N N 15 127.078 . 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_