data_5255 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ancestral beta/gamma-crystallin precursor structure in a yeast killer toxin ; _BMRB_accession_number 5255 _BMRB_flat_file_name bmr5255.str _Entry_type original _Submission_date 2002-01-09 _Accession_date 2002-01-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Antuch W. . . 2 Guntert Peter . . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 452 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-08 original author . stop_ _Original_release_date 2002-02-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Ancestral beta/gamma-crystallin precursor structure in a yeast killer toxin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8756320 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Antuch W. . . 2 Guntert Peter . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 3 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 622 _Page_last 665 _Year 1996 _Details . save_ ################################## # Molecular system description # ################################## save_system_WmKT _Saveframe_category molecular_system _Mol_system_name WmKT _Abbreviation_common WmKT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label WmKT $WmKT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_WmKT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'yeast killer toxin' _Abbreviation_common WmKT _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; GDGYLIMCKNCDPNTGSCDW KQNWNTCVGIGANVHWMVTG GSTDGKQGCATIWEGSGCVG RSTTMCCPANTCCNINTGFY IRSYRRVE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 GLY 4 TYR 5 LEU 6 ILE 7 MET 8 CYS 9 LYS 10 ASN 11 CYS 12 ASP 13 PRO 14 ASN 15 THR 16 GLY 17 SER 18 CYS 19 ASP 20 TRP 21 LYS 22 GLN 23 ASN 24 TRP 25 ASN 26 THR 27 CYS 28 VAL 29 GLY 30 ILE 31 GLY 32 ALA 33 ASN 34 VAL 35 HIS 36 TRP 37 MET 38 VAL 39 THR 40 GLY 41 GLY 42 SER 43 THR 44 ASP 45 GLY 46 LYS 47 GLN 48 GLY 49 CYS 50 ALA 51 THR 52 ILE 53 TRP 54 GLU 55 GLY 56 SER 57 GLY 58 CYS 59 VAL 60 GLY 61 ARG 62 SER 63 THR 64 THR 65 MET 66 CYS 67 CYS 68 PRO 69 ALA 70 ASN 71 THR 72 CYS 73 CYS 74 ASN 75 ILE 76 ASN 77 THR 78 GLY 79 PHE 80 TYR 81 ILE 82 ARG 83 SER 84 TYR 85 ARG 86 ARG 87 VAL 88 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WKT "Williopsis Mrakii Killer Toxin, Nmr Solution Structure" 100.00 88 100.00 100.00 6.17e-56 DBJ BAA02704 "killer toxin [Cyberlindnera mrakii]" 100.00 125 100.00 100.00 1.96e-57 PRF 1203262A toxin,killer 100.00 88 100.00 100.00 6.17e-56 PRF 2005200A "killer toxin" 100.00 125 100.00 100.00 1.96e-57 SP P10410 "RecName: Full=Killer toxin HM-1; Flags: Precursor [Cyberlindnera mrakii]" 100.00 125 100.00 100.00 1.96e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $WmKT Yeast 4932 Eubacteria Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $WmKT 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WmKT 3.0 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-plus _Field_strength 750 _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 n/a temperature 309 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name WmKT _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY HA2 H 4.024 . . 2 . 1 GLY HA3 H 4.105 . . 3 . 2 ASP H H 9.226 . . 4 . 2 ASP HA H 4.792 . . 5 . 2 ASP HB2 H 2.816 . . 6 . 2 ASP HB3 H 3.057 . . 7 . 3 GLY H H 8.629 . . 8 . 3 GLY HA2 H 3.908 . . 9 . 3 GLY HA3 H 4.136 . . 10 . 4 TYR H H 8.516 . . 11 . 4 TYR HA H 4.846 . . 12 . 4 TYR HB3 H 2.946 . . 13 . 4 TYR HB2 H 3.110 . . 14 . 4 TYR HE1 H 6.514 . . 15 . 4 TYR HD1 H 6.855 . . 16 . 5 LEU H H 8.047 . . 17 . 5 LEU HA H 5.037 . . 18 . 5 LEU HB2 H 1.447 . . 19 . 5 LEU HG H 1.311 . . 20 . 5 LEU HD2 H 0.693 . . 21 . 5 LEU HD1 H 0.623 . . 22 . 6 ILE H H 9.153 . . 23 . 6 ILE HA H 4.790 . . 24 . 6 ILE HG12 H 0.984 . . 25 . 6 ILE HG13 H 1.273 . . 26 . 6 ILE HB H 1.391 . . 27 . 7 MET H H 8.165 . . 28 . 7 MET HA H 5.238 . . 29 . 7 MET HB2 H 1.533 . . 30 . 7 MET HB3 H 1.872 . . 31 . 7 MET HG2 H 1.681 . . 32 . 7 MET HG3 H 1.994 . . 33 . 8 CYS H H 9.402 . . 34 . 8 CYS HA H 5.253 . . 35 . 8 CYS HB2 H 3.040 . . 36 . 8 CYS HB3 H 3.467 . . 37 . 9 LYS H H 8.747 . . 38 . 9 LYS HA H 4.729 . . 39 . 9 LYS HB2 H 1.824 . . 40 . 9 LYS HB3 H 2.068 . . 41 . 9 LYS HD2 H 1.652 . . 42 . 9 LYS HG2 H 1.435 . . 43 . 10 ASN H H 7.730 . . 44 . 10 ASN HA H 3.874 . . 45 . 10 ASN HB2 H 2.592 . . 46 . 10 ASN HB3 H 2.824 . . 47 . 10 ASN HD22 H 7.371 . . 48 . 10 ASN HD21 H 6.731 . . 49 . 11 CYS H H 7.250 . . 50 . 11 CYS HA H 4.262 . . 51 . 11 CYS HB3 H 2.041 . . 52 . 11 CYS HB2 H 3.011 . . 53 . 12 ASP H H 7.922 . . 54 . 12 ASP HA H 4.857 . . 55 . 12 ASP HB2 H 2.345 . . 56 . 12 ASP HB3 H 2.769 . . 57 . 13 PRO HA H 4.587 . . 58 . 13 PRO HB2 H 2.096 . . 59 . 13 PRO HB3 H 2.294 . . 60 . 13 PRO HG2 H 1.977 . . 61 . 13 PRO HG3 H 2.084 . . 62 . 13 PRO HD2 H 3.852 . . 63 . 13 PRO HD3 H 4.014 . . 64 . 14 ASN H H 8.392 . . 65 . 14 ASN HA H 4.772 . . 66 . 14 ASN HB2 H 2.881 . . 67 . 14 ASN HB3 H 2.987 . . 68 . 14 ASN HD22 H 6.960 . . 69 . 14 ASN HD21 H 7.867 . . 70 . 15 THR H H 7.982 . . 71 . 15 THR HA H 4.506 . . 72 . 15 THR HB H 4.497 . . 73 . 15 THR HG2 H 1.157 . . 74 . 16 GLY H H 8.187 . . 75 . 16 GLY HA3 H 3.968 . . 76 . 16 GLY HA2 H 4.101 . . 77 . 17 SER H H 8.196 . . 78 . 17 SER HA H 4.369 . . 79 . 17 SER HB2 H 3.966 . . 80 . 17 SER HB3 H 3.990 . . 81 . 18 CYS H H 8.274 . . 82 . 18 CYS HA H 5.319 . . 83 . 18 CYS HB3 H 2.270 . . 84 . 18 CYS HB2 H 2.974 . . 85 . 19 ASP H H 8.566 . . 86 . 19 ASP HA H 4.500 . . 87 . 19 ASP HB2 H 2.796 . . 88 . 19 ASP HB3 H 2.963 . . 89 . 20 TRP H H 8.181 . . 90 . 20 TRP HA H 4.165 . . 91 . 20 TRP HB2 H 3.181 . . 92 . 20 TRP HB3 H 3.383 . . 93 . 20 TRP HD1 H 6.998 . . 94 . 20 TRP HE1 H 9.557 . . 95 . 20 TRP HZ2 H 7.003 . . 96 . 20 TRP HH2 H 6.098 . . 97 . 20 TRP HZ3 H 6.335 . . 98 . 20 TRP HE3 H 7.320 . . 99 . 21 LYS H H 7.658 . . 100 . 21 LYS HA H 4.651 . . 101 . 21 LYS HB2 H 1.618 . . 102 . 21 LYS HD2 H 1.782 . . 103 . 21 LYS HB3 H 1.580 . . 104 . 21 LYS HE2 H 3.109 . . 105 . 21 LYS HG3 H 1.741 . . 106 . 21 LYS HG2 H 1.424 . . 107 . 21 LYS HD3 H 1.857 . . 108 . 21 LYS HE3 H 3.160 . . 109 . 22 GLN H H 8.458 . . 110 . 22 GLN HA H 4.366 . . 111 . 22 GLN HB3 H 2.050 . . 112 . 22 GLN HB2 H 2.223 . . 113 . 22 GLN HG2 H 2.528 . . 114 . 22 GLN HE22 H 7.644 . . 115 . 22 GLN HE21 H 7.219 . . 116 . 23 ASN H H 7.583 . . 117 . 23 ASN HA H 4.597 . . 118 . 23 ASN HB2 H 2.455 . . 119 . 23 ASN HB3 H 2.875 . . 120 . 23 ASN HD22 H 8.170 . . 121 . 23 ASN HD21 H 7.288 . . 122 . 24 TRP H H 8.316 . . 123 . 24 TRP HA H 4.879 . . 124 . 24 TRP HB2 H 3.241 . . 125 . 24 TRP HB3 H 3.323 . . 126 . 24 TRP HD1 H 7.535 . . 127 . 24 TRP HE1 H 10.029 . . 128 . 24 TRP HZ2 H 7.467 . . 129 . 24 TRP HH2 H 7.152 . . 130 . 24 TRP HZ3 H 6.876 . . 131 . 24 TRP HE3 H 7.649 . . 132 . 25 ASN H H 9.532 . . 133 . 25 ASN HA H 4.507 . . 134 . 25 ASN HB2 H 2.825 . . 135 . 25 ASN HB3 H 3.066 . . 136 . 25 ASN HD22 H 7.557 . . 137 . 25 ASN HD21 H 6.905 . . 138 . 26 THR H H 7.106 . . 139 . 26 THR HA H 4.396 . . 140 . 26 THR HB H 3.856 . . 141 . 26 THR HG2 H 0.970 . . 142 . 27 CYS H H 7.969 . . 143 . 27 CYS HA H 4.635 . . 144 . 27 CYS HB2 H 2.597 . . 145 . 27 CYS HB3 H 2.849 . . 146 . 28 VAL H H 9.285 . . 147 . 28 VAL HA H 4.118 . . 148 . 28 VAL HB H 1.416 . . 149 . 28 VAL HG1 H 1.076 . . 150 . 28 VAL HG2 H 0.641 . . 151 . 29 GLY H H 8.564 . . 152 . 29 GLY HA3 H 3.797 . . 153 . 29 GLY HA2 H 4.487 . . 154 . 30 ILE H H 7.849 . . 155 . 30 ILE HA H 4.214 . . 156 . 30 ILE HB H 1.290 . . 157 . 30 ILE HG2 H 0.956 . . 158 . 30 ILE HD1 H 0.729 . . 159 . 30 ILE HG12 H 0.939 . . 160 . 30 ILE HG13 H 1.664 . . 161 . 31 GLY H H 8.789 . . 162 . 31 GLY HA2 H 3.767 . . 163 . 31 GLY HA3 H 4.256 . . 164 . 32 ALA H H 8.094 . . 165 . 32 ALA HA H 4.234 . . 166 . 32 ALA HB H 1.406 . . 167 . 33 ASN H H 8.672 . . 168 . 33 ASN HA H 4.300 . . 169 . 33 ASN HB3 H 2.968 . . 170 . 33 ASN HB2 H 3.079 . . 171 . 33 ASN HD22 H 7.590 . . 172 . 33 ASN HD21 H 7.029 . . 173 . 34 VAL H H 7.154 . . 174 . 34 VAL HA H 3.612 . . 175 . 34 VAL HB H 1.833 . . 176 . 34 VAL HG2 H 0.701 . . 177 . 34 VAL HG1 H 0.694 . . 178 . 35 HIS H H 7.273 . . 179 . 35 HIS HA H 4.669 . . 180 . 35 HIS HB2 H 2.638 . . 181 . 35 HIS HB3 H 2.947 . . 182 . 35 HIS HE1 H 8.384 . . 183 . 35 HIS HD2 H 7.072 . . 184 . 36 TRP H H 7.876 . . 185 . 36 TRP HA H 5.097 . . 186 . 36 TRP HB2 H 2.363 . . 187 . 36 TRP HB3 H 2.878 . . 188 . 36 TRP HD1 H 6.650 . . 189 . 36 TRP HE1 H 9.917 . . 190 . 36 TRP HZ2 H 7.424 . . 191 . 36 TRP HH2 H 7.173 . . 192 . 36 TRP HZ3 H 7.033 . . 193 . 36 TRP HE3 H 7.372 . . 194 . 37 MET H H 9.230 . . 195 . 37 MET HA H 5.080 . . 196 . 37 MET HB2 H 1.699 . . 197 . 37 MET HB3 H 1.888 . . 198 . 37 MET HG2 H 1.973 . . 199 . 37 MET HG3 H 2.254 . . 200 . 38 VAL H H 9.215 . . 201 . 38 VAL HA H 4.896 . . 202 . 38 VAL HB H 1.860 . . 203 . 38 VAL HG1 H 0.896 . . 204 . 38 VAL HG2 H 0.911 . . 205 . 39 THR H H 8.608 . . 206 . 39 THR HA H 5.103 . . 207 . 39 THR HB H 4.332 . . 208 . 39 THR HG2 H 1.015 . . 209 . 40 GLY H H 6.743 . . 210 . 40 GLY HA2 H 3.383 . . 211 . 40 GLY HA3 H 4.329 . . 212 . 41 GLY H H 8.388 . . 213 . 41 GLY HA2 H 3.928 . . 214 . 41 GLY HA3 H 4.008 . . 215 . 42 SER H H 8.104 . . 216 . 42 SER HA H 4.557 . . 217 . 42 SER HB2 H 3.724 . . 218 . 42 SER HB3 H 4.079 . . 219 . 43 THR H H 9.939 . . 220 . 43 THR HA H 4.570 . . 221 . 43 THR HB H 4.362 . . 222 . 43 THR HG2 H 1.226 . . 223 . 44 ASP H H 8.166 . . 224 . 44 ASP HA H 4.581 . . 225 . 44 ASP HB2 H 2.656 . . 226 . 44 ASP HB3 H 2.914 . . 227 . 45 GLY H H 8.292 . . 228 . 45 GLY HA2 H 3.576 . . 229 . 45 GLY HA3 H 3.952 . . 230 . 46 LYS H H 8.103 . . 231 . 46 LYS HA H 4.400 . . 232 . 46 LYS HB2 H 1.840 . . 233 . 46 LYS HB3 H 2.007 . . 234 . 46 LYS HE2 H 3.044 . . 235 . 46 LYS HD2 H 1.705 . . 236 . 46 LYS HG2 H 1.360 . . 237 . 46 LYS HG3 H 1.438 . . 238 . 47 GLN H H 8.290 . . 239 . 47 GLN HA H 4.433 . . 240 . 47 GLN HB3 H 1.895 . . 241 . 47 GLN HB2 H 1.882 . . 242 . 47 GLN HG3 H 2.086 . . 243 . 47 GLN HE22 H 7.592 . . 244 . 47 GLN HE21 H 6.453 . . 245 . 47 GLN HG2 H 2.399 . . 246 . 48 GLY H H 8.400 . . 247 . 48 GLY HA3 H 3.386 . . 248 . 48 GLY HA2 H 4.804 . . 249 . 49 CYS H H 9.127 . . 250 . 49 CYS HA H 5.682 . . 251 . 49 CYS HB3 H 2.465 . . 252 . 49 CYS HB2 H 2.907 . . 253 . 50 ALA H H 9.301 . . 254 . 50 ALA HA H 5.217 . . 255 . 50 ALA HB H 1.250 . . 256 . 51 THR H H 8.868 . . 257 . 51 THR HA H 4.689 . . 258 . 51 THR HB H 3.384 . . 259 . 52 ILE H H 8.691 . . 260 . 52 ILE HA H 4.886 . . 261 . 52 ILE HB H 1.494 . . 262 . 52 ILE HG12 H 0.727 . . 263 . 52 ILE HD1 H 0.571 . . 264 . 52 ILE HG2 H 1.000 . . 265 . 53 TRP H H 9.603 . . 266 . 53 TRP HA H 5.450 . . 267 . 53 TRP HB2 H 3.284 . . 268 . 53 TRP HD1 H 6.759 . . 269 . 53 TRP HE1 H 9.615 . . 270 . 53 TRP HZ2 H 7.329 . . 271 . 53 TRP HZ3 H 6.969 . . 272 . 53 TRP HE3 H 7.392 . . 273 . 53 TRP HH2 H 6.876 . . 274 . 54 GLU H H 8.685 . . 275 . 54 GLU HA H 5.044 . . 276 . 54 GLU HB2 H 1.436 . . 277 . 54 GLU HB3 H 1.807 . . 278 . 54 GLU HG2 H 2.332 . . 279 . 54 GLU HG3 H 2.794 . . 280 . 55 GLY H H 7.894 . . 281 . 55 GLY HA2 H 3.585 . . 282 . 55 GLY HA3 H 4.458 . . 283 . 56 SER H H 8.403 . . 284 . 56 SER HA H 4.036 . . 285 . 56 SER HB2 H 3.788 . . 286 . 56 SER HB3 H 3.851 . . 287 . 57 GLY H H 8.984 . . 288 . 57 GLY HA2 H 3.532 . . 289 . 57 GLY HA3 H 3.631 . . 290 . 58 CYS H H 8.347 . . 291 . 58 CYS HA H 2.874 . . 292 . 58 CYS HB2 H 0.206 . . 293 . 58 CYS HB3 H 2.419 . . 294 . 59 VAL H H 5.810 . . 295 . 59 VAL HA H 4.170 . . 296 . 59 VAL HB H 1.940 . . 297 . 59 VAL HG1 H 0.675 . . 298 . 60 GLY H H 8.161 . . 299 . 60 GLY HA2 H 3.675 . . 300 . 60 GLY HA3 H 4.460 . . 301 . 61 ARG H H 8.487 . . 302 . 61 ARG HA H 3.976 . . 303 . 61 ARG HB2 H 1.303 . . 304 . 61 ARG HB3 H 1.383 . . 305 . 61 ARG HD2 H 2.887 . . 306 . 61 ARG HG2 H 1.197 . . 307 . 61 ARG HG3 H 1.497 . . 308 . 61 ARG HE H 7.186 . . 309 . 61 ARG HD3 H 2.953 . . 310 . 62 SER H H 7.830 . . 311 . 62 SER HA H 5.612 . . 312 . 62 SER HB2 H 2.641 . . 313 . 62 SER HB3 H 2.793 . . 314 . 63 THR H H 8.494 . . 315 . 63 THR HA H 4.528 . . 316 . 63 THR HB H 4.087 . . 317 . 63 THR HG2 H 0.999 . . 318 . 64 THR H H 8.281 . . 319 . 64 THR HA H 5.136 . . 320 . 64 THR HB H 3.881 . . 321 . 64 THR HG2 H 0.939 . . 322 . 65 MET H H 9.030 . . 323 . 65 MET HA H 4.876 . . 324 . 65 MET HB2 H 1.720 . . 325 . 65 MET HB3 H 1.816 . . 326 . 65 MET HG2 H 2.226 . . 327 . 65 MET HG3 H 2.496 . . 328 . 66 CYS H H 8.742 . . 329 . 66 CYS HA H 5.512 . . 330 . 66 CYS HB3 H 2.593 . . 331 . 66 CYS HB2 H 2.747 . . 332 . 67 CYS H H 9.342 . . 333 . 67 CYS HA H 5.276 . . 334 . 67 CYS HB3 H 2.700 . . 335 . 67 CYS HB2 H 2.795 . . 336 . 68 PRO HA H 4.231 . . 337 . 68 PRO HB2 H 1.881 . . 338 . 68 PRO HB3 H 2.329 . . 339 . 68 PRO HG2 H 1.909 . . 340 . 68 PRO HG3 H 2.002 . . 341 . 68 PRO HD2 H 3.425 . . 342 . 68 PRO HD3 H 3.860 . . 343 . 69 ALA H H 8.170 . . 344 . 69 ALA HA H 3.992 . . 345 . 69 ALA HB H 1.071 . . 346 . 70 ASN H H 7.893 . . 347 . 70 ASN HA H 4.477 . . 348 . 70 ASN HB2 H 2.838 . . 349 . 70 ASN HB3 H 2.918 . . 350 . 70 ASN HD22 H 7.477 . . 351 . 70 ASN HD21 H 6.841 . . 352 . 71 THR H H 8.006 . . 353 . 71 THR HA H 4.594 . . 354 . 71 THR HB H 4.077 . . 355 . 71 THR HG2 H 1.149 . . 356 . 72 CYS H H 8.162 . . 357 . 72 CYS HA H 5.351 . . 358 . 72 CYS HB3 H 2.981 . . 359 . 72 CYS HB2 H 3.517 . . 360 . 73 CYS H H 10.048 . . 361 . 73 CYS HA H 5.089 . . 362 . 73 CYS HB2 H 2.791 . . 363 . 73 CYS HB3 H 3.341 . . 364 . 74 ASN H H 8.937 . . 365 . 74 ASN HA H 3.842 . . 366 . 74 ASN HB2 H 2.283 . . 367 . 74 ASN HD21 H 6.403 . . 368 . 75 ILE H H 7.998 . . 369 . 75 ILE HA H 3.615 . . 370 . 75 ILE HB H 1.338 . . 371 . 75 ILE HG2 H 0.651 . . 372 . 75 ILE HD1 H 0.456 . . 373 . 75 ILE HG12 H 0.614 . . 374 . 75 ILE HG13 H 1.285 . . 375 . 76 ASN H H 8.297 . . 376 . 76 ASN HA H 4.634 . . 377 . 76 ASN HB2 H 2.414 . . 378 . 76 ASN HB3 H 2.686 . . 379 . 76 ASN HD22 H 7.348 . . 380 . 76 ASN HD21 H 6.611 . . 381 . 77 THR H H 8.368 . . 382 . 77 THR HA H 3.989 . . 383 . 77 THR HB H 3.388 . . 384 . 77 THR HG2 H 0.573 . . 385 . 78 GLY H H 7.954 . . 386 . 78 GLY HA2 H 3.638 . . 387 . 78 GLY HA3 H 4.190 . . 388 . 79 PHE H H 7.284 . . 389 . 79 PHE HA H 4.874 . . 390 . 79 PHE HB3 H 2.877 . . 391 . 79 PHE HB2 H 3.180 . . 392 . 79 PHE HD1 H 6.955 . . 393 . 79 PHE HE1 H 7.092 . . 394 . 80 TYR H H 8.855 . . 395 . 80 TYR HA H 4.304 . . 396 . 80 TYR HB2 H 2.947 . . 397 . 80 TYR HB3 H 3.241 . . 398 . 80 TYR HD1 H 7.128 . . 399 . 80 TYR HE1 H 6.882 . . 400 . 81 ILE H H 7.318 . . 401 . 81 ILE HA H 4.485 . . 402 . 81 ILE HB H 1.665 . . 403 . 81 ILE HG12 H 1.073 . . 404 . 81 ILE HG13 H 1.479 . . 405 . 81 ILE HD1 H 0.663 . . 406 . 81 ILE HG2 H 0.719 . . 407 . 82 ARG H H 8.582 . . 408 . 82 ARG HA H 4.969 . . 409 . 82 ARG HB2 H 1.466 . . 410 . 82 ARG HD2 H 3.255 . . 411 . 82 ARG HG2 H 1.750 . . 412 . 82 ARG HG3 H 2.096 . . 413 . 82 ARG HD3 H 3.626 . . 414 . 82 ARG HE H 7.293 . . 415 . 83 SER H H 8.480 . . 416 . 83 SER HA H 5.732 . . 417 . 83 SER HB2 H 4.054 . . 418 . 83 SER HB3 H 4.500 . . 419 . 83 SER HG H 5.077 . . 420 . 84 TYR H H 9.858 . . 421 . 84 TYR HA H 6.307 . . 422 . 84 TYR HB2 H 3.120 . . 423 . 84 TYR HB3 H 3.179 . . 424 . 84 TYR HE1 H 6.584 . . 425 . 84 TYR HD1 H 6.782 . . 426 . 84 TYR HH H 11.178 . . 427 . 85 ARG H H 8.877 . . 428 . 85 ARG HA H 4.591 . . 429 . 85 ARG HB2 H 1.929 . . 430 . 85 ARG HB3 H 2.064 . . 431 . 85 ARG HD2 H 3.183 . . 432 . 85 ARG HG2 H 1.771 . . 433 . 85 ARG HD3 H 3.267 . . 434 . 85 ARG HE H 7.124 . . 435 . 86 ARG H H 8.879 . . 436 . 86 ARG HA H 4.339 . . 437 . 86 ARG HB2 H 1.094 . . 438 . 86 ARG HD2 H 1.726 . . 439 . 86 ARG HE H 8.131 . . 440 . 86 ARG HD3 H 2.633 . . 441 . 86 ARG HG2 H 0.391 . . 442 . 86 ARG HG3 H 1.571 . . 443 . 87 VAL H H 8.388 . . 444 . 87 VAL HA H 4.732 . . 445 . 87 VAL HB H 2.301 . . 446 . 87 VAL HG2 H 0.668 . . 447 . 87 VAL HG1 H 0.967 . . 448 . 88 GLU H H 7.893 . . 449 . 88 GLU HA H 4.486 . . 450 . 88 GLU HB2 H 1.880 . . 451 . 88 GLU HG2 H 2.373 . . 452 . 88 GLU HG3 H 2.486 . . stop_ save_