data_6586 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6586 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of the Hsp90 binding domain of human Cdc37 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-12 _Entry.Accession_date 2005-04-12 _Entry.Last_release_date 2006-04-06 _Entry.Original_release_date 2006-04-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sridhar Sreeramulu . . . 6586 2 Jitendra Kumar . . . 6586 3 Christian Richter . . . 6586 4 Krishna Saxena . . . 6586 5 Harald Schwalbe . . . 6586 6 Thomas Langer . . . 6586 7 Vogtherr Martin . . . 6586 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6586 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 461 6586 '13C chemical shifts' 386 6586 '15N chemical shifts' 133 6586 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-06 2005-04-12 original author . 6586 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6586 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16132836 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Backbone Resonance Assignment of the Hsp90 Binding Domain of Human Cdc37 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 262 _Citation.Page_last 262 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sridhar Sreeramulu . . . 6586 1 2 Jitendra Kumar . . . 6586 1 3 Christian Richter . . . 6586 1 4 Martin Vogtherr . . . 6586 1 5 Krishna Saxena . . . 6586 1 6 Thomas Langer . . . 6586 1 7 Harald Schwalbe . . . 6586 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cdc37_hsp90_binding_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cdc37_hsp90_binding_domain _Assembly.Entry_ID 6586 _Assembly.ID 1 _Assembly.Name cdc37hbd _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6586 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cdc37hbd 1 $cdc37hbd . . . native . . . . . 6586 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID cdc37hbd system 6586 1 'cdc37 hsp90 binding domain' abbreviation 6586 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID co-chaperone 6586 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cdc37hbd _Entity.Sf_category entity _Entity.Sf_framecode cdc37hbd _Entity.Entry_ID 6586 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cell cycle division protein 37' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGKHKTFVEKYEKQIKHF GMLRRWDDSQKYLSDNVHLV CEETANYLVIWCIDLEVEEK CALMEQVAHQTIVMQFILEL AKSLKVDPRACFRQFFTKIK TADRQYMEGFNDELEAFKER VRGRAKLRIEKAMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1US7 . "Complex Of Hsp90 And P50" . . . . . 97.01 265 100.00 100.00 5.16e-89 . . . . 6586 1 2 no PDB 2K5B . "Human Cdc37-Hsp90 Docking Model Based On Nmr" . . . . . 96.27 129 100.00 100.00 4.29e-89 . . . . 6586 1 3 no PDB 2W0G . "Hsp90 Co-Chaperone Cdc37" . . . . . 96.27 129 100.00 100.00 4.29e-89 . . . . 6586 1 4 no DBJ BAG72991 . "cell division cycle 37 homolog [synthetic construct]" . . . . . 97.01 378 100.00 100.00 1.40e-87 . . . . 6586 1 5 no EMBL CAG15149 . "CDC37 cell division cycle 37 protein [Sus scrofa]" . . . . . 97.01 380 99.23 100.00 2.78e-87 . . . . 6586 1 6 no EMBL CAG47045 . "CDC37 [Homo sapiens]" . . . . . 97.01 378 100.00 100.00 1.16e-87 . . . . 6586 1 7 no EMBL CAL38163 . "hypothetical protein [synthetic construct]" . . . . . 97.01 378 100.00 100.00 1.40e-87 . . . . 6586 1 8 no EMBL CAL38227 . "hypothetical protein [synthetic construct]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 9 no GB AAB04798 . "CDC37 homolog [Homo sapiens]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 10 no GB AAB63979 . "CDC37 homolog [Homo sapiens]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 11 no GB AAH00083 . "Cell division cycle 37 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 12 no GB AAH08793 . "Cell division cycle 37 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 13 no GB AAI02044 . "Cell division cycle 37 homolog (S. cerevisiae) [Bos taurus]" . . . . . 97.01 380 99.23 100.00 2.97e-87 . . . . 6586 1 14 no REF NP_001030415 . "hsp90 co-chaperone Cdc37 [Bos taurus]" . . . . . 97.01 380 99.23 100.00 2.97e-87 . . . . 6586 1 15 no REF NP_001116568 . "hsp90 co-chaperone Cdc37 [Sus scrofa]" . . . . . 97.01 380 99.23 100.00 2.78e-87 . . . . 6586 1 16 no REF NP_008996 . "hsp90 co-chaperone Cdc37 [Homo sapiens]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 17 no REF XP_001105596 . "PREDICTED: hsp90 co-chaperone Cdc37 [Macaca mulatta]" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 18 no REF XP_002761777 . "PREDICTED: hsp90 co-chaperone Cdc37 [Callithrix jacchus]" . . . . . 97.01 378 100.00 100.00 1.34e-87 . . . . 6586 1 19 no SP Q16543 . "RecName: Full=Hsp90 co-chaperone Cdc37; AltName: Full=Hsp90 chaperone protein kinase-targeting subunit; AltName: Full=p50Cdc37;" . . . . . 97.01 378 100.00 100.00 1.02e-87 . . . . 6586 1 20 no SP Q5EAC6 . "RecName: Full=Hsp90 co-chaperone Cdc37; AltName: Full=Hsp90 chaperone protein kinase-targeting subunit; AltName: Full=p50Cdc37;" . . . . . 97.01 380 99.23 100.00 2.97e-87 . . . . 6586 1 21 no TPG DAA27935 . "TPA: hsp90 co-chaperone Cdc37 [Bos taurus]" . . . . . 55.97 223 100.00 100.00 4.34e-46 . . . . 6586 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cell cycle division protein 37' common 6586 1 cdc37 abbreviation 6586 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 6586 1 2 -3 ALA . 6586 1 3 -2 MET . 6586 1 4 -1 GLY . 6586 1 5 147 LYS . 6586 1 6 148 HIS . 6586 1 7 149 LYS . 6586 1 8 150 THR . 6586 1 9 151 PHE . 6586 1 10 152 VAL . 6586 1 11 153 GLU . 6586 1 12 154 LYS . 6586 1 13 155 TYR . 6586 1 14 156 GLU . 6586 1 15 157 LYS . 6586 1 16 158 GLN . 6586 1 17 159 ILE . 6586 1 18 160 LYS . 6586 1 19 161 HIS . 6586 1 20 162 PHE . 6586 1 21 163 GLY . 6586 1 22 164 MET . 6586 1 23 165 LEU . 6586 1 24 166 ARG . 6586 1 25 167 ARG . 6586 1 26 168 TRP . 6586 1 27 169 ASP . 6586 1 28 170 ASP . 6586 1 29 171 SER . 6586 1 30 172 GLN . 6586 1 31 173 LYS . 6586 1 32 174 TYR . 6586 1 33 175 LEU . 6586 1 34 176 SER . 6586 1 35 177 ASP . 6586 1 36 178 ASN . 6586 1 37 179 VAL . 6586 1 38 180 HIS . 6586 1 39 181 LEU . 6586 1 40 182 VAL . 6586 1 41 183 CYS . 6586 1 42 184 GLU . 6586 1 43 185 GLU . 6586 1 44 186 THR . 6586 1 45 187 ALA . 6586 1 46 188 ASN . 6586 1 47 189 TYR . 6586 1 48 190 LEU . 6586 1 49 191 VAL . 6586 1 50 192 ILE . 6586 1 51 193 TRP . 6586 1 52 194 CYS . 6586 1 53 195 ILE . 6586 1 54 196 ASP . 6586 1 55 197 LEU . 6586 1 56 198 GLU . 6586 1 57 199 VAL . 6586 1 58 200 GLU . 6586 1 59 201 GLU . 6586 1 60 202 LYS . 6586 1 61 203 CYS . 6586 1 62 204 ALA . 6586 1 63 205 LEU . 6586 1 64 206 MET . 6586 1 65 207 GLU . 6586 1 66 208 GLN . 6586 1 67 209 VAL . 6586 1 68 210 ALA . 6586 1 69 211 HIS . 6586 1 70 212 GLN . 6586 1 71 213 THR . 6586 1 72 214 ILE . 6586 1 73 215 VAL . 6586 1 74 216 MET . 6586 1 75 217 GLN . 6586 1 76 218 PHE . 6586 1 77 219 ILE . 6586 1 78 220 LEU . 6586 1 79 221 GLU . 6586 1 80 222 LEU . 6586 1 81 223 ALA . 6586 1 82 224 LYS . 6586 1 83 225 SER . 6586 1 84 226 LEU . 6586 1 85 227 LYS . 6586 1 86 228 VAL . 6586 1 87 229 ASP . 6586 1 88 230 PRO . 6586 1 89 231 ARG . 6586 1 90 232 ALA . 6586 1 91 233 CYS . 6586 1 92 234 PHE . 6586 1 93 235 ARG . 6586 1 94 236 GLN . 6586 1 95 237 PHE . 6586 1 96 238 PHE . 6586 1 97 239 THR . 6586 1 98 240 LYS . 6586 1 99 241 ILE . 6586 1 100 242 LYS . 6586 1 101 243 THR . 6586 1 102 244 ALA . 6586 1 103 245 ASP . 6586 1 104 246 ARG . 6586 1 105 247 GLN . 6586 1 106 248 TYR . 6586 1 107 249 MET . 6586 1 108 250 GLU . 6586 1 109 251 GLY . 6586 1 110 252 PHE . 6586 1 111 253 ASN . 6586 1 112 254 ASP . 6586 1 113 255 GLU . 6586 1 114 256 LEU . 6586 1 115 257 GLU . 6586 1 116 258 ALA . 6586 1 117 259 PHE . 6586 1 118 260 LYS . 6586 1 119 261 GLU . 6586 1 120 262 ARG . 6586 1 121 263 VAL . 6586 1 122 264 ARG . 6586 1 123 265 GLY . 6586 1 124 266 ARG . 6586 1 125 267 ALA . 6586 1 126 268 LYS . 6586 1 127 269 LEU . 6586 1 128 270 ARG . 6586 1 129 271 ILE . 6586 1 130 272 GLU . 6586 1 131 273 LYS . 6586 1 132 274 ALA . 6586 1 133 275 MET . 6586 1 134 276 LYS . 6586 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6586 1 . ALA 2 2 6586 1 . MET 3 3 6586 1 . GLY 4 4 6586 1 . LYS 5 5 6586 1 . HIS 6 6 6586 1 . LYS 7 7 6586 1 . THR 8 8 6586 1 . PHE 9 9 6586 1 . VAL 10 10 6586 1 . GLU 11 11 6586 1 . LYS 12 12 6586 1 . TYR 13 13 6586 1 . GLU 14 14 6586 1 . LYS 15 15 6586 1 . GLN 16 16 6586 1 . ILE 17 17 6586 1 . LYS 18 18 6586 1 . HIS 19 19 6586 1 . PHE 20 20 6586 1 . GLY 21 21 6586 1 . MET 22 22 6586 1 . LEU 23 23 6586 1 . ARG 24 24 6586 1 . ARG 25 25 6586 1 . TRP 26 26 6586 1 . ASP 27 27 6586 1 . ASP 28 28 6586 1 . SER 29 29 6586 1 . GLN 30 30 6586 1 . LYS 31 31 6586 1 . TYR 32 32 6586 1 . LEU 33 33 6586 1 . SER 34 34 6586 1 . ASP 35 35 6586 1 . ASN 36 36 6586 1 . VAL 37 37 6586 1 . HIS 38 38 6586 1 . LEU 39 39 6586 1 . VAL 40 40 6586 1 . CYS 41 41 6586 1 . GLU 42 42 6586 1 . GLU 43 43 6586 1 . THR 44 44 6586 1 . ALA 45 45 6586 1 . ASN 46 46 6586 1 . TYR 47 47 6586 1 . LEU 48 48 6586 1 . VAL 49 49 6586 1 . ILE 50 50 6586 1 . TRP 51 51 6586 1 . CYS 52 52 6586 1 . ILE 53 53 6586 1 . ASP 54 54 6586 1 . LEU 55 55 6586 1 . GLU 56 56 6586 1 . VAL 57 57 6586 1 . GLU 58 58 6586 1 . GLU 59 59 6586 1 . LYS 60 60 6586 1 . CYS 61 61 6586 1 . ALA 62 62 6586 1 . LEU 63 63 6586 1 . MET 64 64 6586 1 . GLU 65 65 6586 1 . GLN 66 66 6586 1 . VAL 67 67 6586 1 . ALA 68 68 6586 1 . HIS 69 69 6586 1 . GLN 70 70 6586 1 . THR 71 71 6586 1 . ILE 72 72 6586 1 . VAL 73 73 6586 1 . MET 74 74 6586 1 . GLN 75 75 6586 1 . PHE 76 76 6586 1 . ILE 77 77 6586 1 . LEU 78 78 6586 1 . GLU 79 79 6586 1 . LEU 80 80 6586 1 . ALA 81 81 6586 1 . LYS 82 82 6586 1 . SER 83 83 6586 1 . LEU 84 84 6586 1 . LYS 85 85 6586 1 . VAL 86 86 6586 1 . ASP 87 87 6586 1 . PRO 88 88 6586 1 . ARG 89 89 6586 1 . ALA 90 90 6586 1 . CYS 91 91 6586 1 . PHE 92 92 6586 1 . ARG 93 93 6586 1 . GLN 94 94 6586 1 . PHE 95 95 6586 1 . PHE 96 96 6586 1 . THR 97 97 6586 1 . LYS 98 98 6586 1 . ILE 99 99 6586 1 . LYS 100 100 6586 1 . THR 101 101 6586 1 . ALA 102 102 6586 1 . ASP 103 103 6586 1 . ARG 104 104 6586 1 . GLN 105 105 6586 1 . TYR 106 106 6586 1 . MET 107 107 6586 1 . GLU 108 108 6586 1 . GLY 109 109 6586 1 . PHE 110 110 6586 1 . ASN 111 111 6586 1 . ASP 112 112 6586 1 . GLU 113 113 6586 1 . LEU 114 114 6586 1 . GLU 115 115 6586 1 . ALA 116 116 6586 1 . PHE 117 117 6586 1 . LYS 118 118 6586 1 . GLU 119 119 6586 1 . ARG 120 120 6586 1 . VAL 121 121 6586 1 . ARG 122 122 6586 1 . GLY 123 123 6586 1 . ARG 124 124 6586 1 . ALA 125 125 6586 1 . LYS 126 126 6586 1 . LEU 127 127 6586 1 . ARG 128 128 6586 1 . ILE 129 129 6586 1 . GLU 130 130 6586 1 . LYS 131 131 6586 1 . ALA 132 132 6586 1 . MET 133 133 6586 1 . LYS 134 134 6586 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6586 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cdc37hbd . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6586 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6586 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cdc37hbd . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6586 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6586 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cell cycle division protein 37' [U-15N] . . 1 $cdc37hbd . . 0.6 . . mM . . . . 6586 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6586 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cell cycle division protein 37' '[U-13C; U-15N; U-2H]' . . 1 $cdc37hbd . . 0.7 . . mM . . . . 6586 2 stop_ save_ ####################### # Sample conditions # ####################### save_Exp01 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Exp01 _Sample_condition_list.Entry_ID 6586 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.2 pH 6586 1 temperature 298 1 K 6586 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 6586 _Software.ID 1 _Software.Name CARA _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6586 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6586 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6586 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6586 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6586 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 6586 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 6586 1 3 NMR_spectrometer_3 Bruker DRX . 900 . . . 6586 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6586 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 7 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 8 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 9 H(CCCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6586 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6586 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6586 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TMSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 6586 1 N 15 TMSP 'methyl protons' . . . . ppm 0.0 . indirect 0.10132914 . . . . . . . . . 6586 1 C 13 TMSP 'methyl protons' . . . . ppm 0.0 . indirect 0.25145002 . . . . . . . . . 6586 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6586 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp01 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6586 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.408 0.02 . 1 . . . . -4 . . . 6586 1 2 . 1 1 1 1 GLY N N 15 109.811 0.1 . 1 . . . . -4 . . . 6586 1 3 . 1 1 1 1 GLY CA C 13 35.781 0.5 . 1 . . . . -4 . . . 6586 1 4 . 1 1 1 1 GLY C C 13 163.272 0.5 . 9 . . . . -4 . . . 6586 1 5 . 1 1 2 2 ALA H H 1 8.573 0.02 . 1 . . . . -3 . . . 6586 1 6 . 1 1 2 2 ALA N N 15 119.339 0.1 . 1 . . . . -3 . . . 6586 1 7 . 1 1 2 2 ALA CA C 13 45.491 0.5 . 1 . . . . -3 . . . 6586 1 8 . 1 1 2 2 ALA HA H 1 4.373 0.02 . 1 . . . . -3 . . . 6586 1 9 . 1 1 2 2 ALA C C 13 171.256 0.5 . 1 . . . . -3 . . . 6586 1 10 . 1 1 2 2 ALA CB C 13 11.697 0.5 . 1 . . . . -3 . . . 6586 1 11 . 1 1 3 3 MET H H 1 8.478 0.02 . 1 . . . . -2 . . . 6586 1 12 . 1 1 3 3 MET N N 15 115.275 0.1 . 1 . . . . -2 . . . 6586 1 13 . 1 1 3 3 MET CA C 13 48.530 0.5 . 1 . . . . -2 . . . 6586 1 14 . 1 1 3 3 MET HA H 1 4.504 0.02 . 1 . . . . -2 . . . 6586 1 15 . 1 1 3 3 MET C C 13 170.194 0.5 . 1 . . . . -2 . . . 6586 1 16 . 1 1 3 3 MET CB C 13 25.158 0.5 . 1 . . . . -2 . . . 6586 1 17 . 1 1 3 3 MET HB2 H 1 2.106 0.02 . 1 . . . . -2 . . . 6586 1 18 . 1 1 3 3 MET HB3 H 1 2.046 0.02 . 1 . . . . -2 . . . 6586 1 19 . 1 1 4 4 GLY H H 1 8.345 0.02 . 1 . . . . -1 . . . 6586 1 20 . 1 1 4 4 GLY N N 15 105.594 0.1 . 1 . . . . -1 . . . 6586 1 21 . 1 1 4 4 GLY CA C 13 38.119 0.5 . 1 . . . . -1 . . . 6586 1 22 . 1 1 4 4 GLY C C 13 167.360 0.5 . 1 . . . . -1 . . . 6586 1 23 . 1 1 5 5 LYS H H 1 8.119 0.02 . 1 . . . . 147 . . . 6586 1 24 . 1 1 5 5 LYS N N 15 116.405 0.1 . 1 . . . . 147 . . . 6586 1 25 . 1 1 5 5 LYS CA C 13 49.309 0.5 . 1 . . . . 147 . . . 6586 1 26 . 1 1 5 5 LYS HA H 1 4.261 0.02 . 1 . . . . 147 . . . 6586 1 27 . 1 1 5 5 LYS C C 13 170.031 0.5 . 1 . . . . 147 . . . 6586 1 28 . 1 1 5 5 LYS CB C 13 25.158 0.5 . 1 . . . . 147 . . . 6586 1 29 . 1 1 5 5 LYS HB2 H 1 1.761 0.02 . 1 . . . . 147 . . . 6586 1 30 . 1 1 5 5 LYS HB3 H 1 1.729 0.02 . 1 . . . . 147 . . . 6586 1 31 . 1 1 5 5 LYS HG2 H 1 1.337 0.02 . 1 . . . . 147 . . . 6586 1 32 . 1 1 5 5 LYS HG3 H 1 1.365 0.02 . 1 . . . . 147 . . . 6586 1 33 . 1 1 5 5 LYS HD2 H 1 1.640 0.02 . 1 . . . . 147 . . . 6586 1 34 . 1 1 5 5 LYS HD3 H 1 1.682 0.02 . 1 . . . . 147 . . . 6586 1 35 . 1 1 6 6 HIS H H 1 8.406 0.02 . 1 . . . . 148 . . . 6586 1 36 . 1 1 6 6 HIS N N 15 115.731 0.1 . 1 . . . . 148 . . . 6586 1 37 . 1 1 6 6 HIS CA C 13 48.529 0.5 . 1 . . . . 148 . . . 6586 1 38 . 1 1 6 6 HIS HA H 1 4.663 0.02 . 1 . . . . 148 . . . 6586 1 39 . 1 1 6 6 HIS C C 13 168.101 0.5 . 1 . . . . 148 . . . 6586 1 40 . 1 1 6 6 HIS CB C 13 21.971 0.5 . 1 . . . . 148 . . . 6586 1 41 . 1 1 6 6 HIS HB2 H 1 3.209 0.02 . 1 . . . . 148 . . . 6586 1 42 . 1 1 6 6 HIS HB3 H 1 3.161 0.02 . 1 . . . . 148 . . . 6586 1 43 . 1 1 7 7 LYS H H 1 8.287 0.02 . 1 . . . . 149 . . . 6586 1 44 . 1 1 7 7 LYS N N 15 118.355 0.1 . 1 . . . . 149 . . . 6586 1 45 . 1 1 7 7 LYS CA C 13 49.521 0.5 . 1 . . . . 149 . . . 6586 1 46 . 1 1 7 7 LYS HA H 1 4.448 0.02 . 1 . . . . 149 . . . 6586 1 47 . 1 1 7 7 LYS C C 13 170.709 0.5 . 1 . . . . 149 . . . 6586 1 48 . 1 1 7 7 LYS CB C 13 26.220 0.5 . 1 . . . . 149 . . . 6586 1 49 . 1 1 7 7 LYS HB2 H 1 1.648 0.02 . 1 . . . . 149 . . . 6586 1 50 . 1 1 7 7 LYS HB3 H 1 1.579 0.02 . 1 . . . . 149 . . . 6586 1 51 . 1 1 7 7 LYS HG2 H 1 1.341 0.02 . 1 . . . . 149 . . . 6586 1 52 . 1 1 7 7 LYS HG3 H 1 1.361 0.02 . 1 . . . . 149 . . . 6586 1 53 . 1 1 7 7 LYS HD2 H 1 1.467 0.02 . 1 . . . . 149 . . . 6586 1 54 . 1 1 7 7 LYS HD3 H 1 1.494 0.02 . 1 . . . . 149 . . . 6586 1 55 . 1 1 7 7 LYS HE2 H 1 3.021 0.02 . 1 . . . . 149 . . . 6586 1 56 . 1 1 7 7 LYS HE3 H 1 3.008 0.02 . 1 . . . . 149 . . . 6586 1 57 . 1 1 8 8 THR H H 1 8.539 0.02 . 1 . . . . 150 . . . 6586 1 58 . 1 1 8 8 THR N N 15 109.516 0.1 . 1 . . . . 150 . . . 6586 1 59 . 1 1 8 8 THR CA C 13 54.762 0.5 . 1 . . . . 150 . . . 6586 1 60 . 1 1 8 8 THR HA H 1 4.684 0.02 . 1 . . . . 150 . . . 6586 1 61 . 1 1 8 8 THR C C 13 167.956 0.5 . 1 . . . . 150 . . . 6586 1 62 . 1 1 8 8 THR CB C 13 63.403 0.5 . 1 . . . . 150 . . . 6586 1 63 . 1 1 8 8 THR HB H 1 4.315 0.02 . 1 . . . . 150 . . . 6586 1 64 . 1 1 8 8 THR HG21 H 1 1.321 0.02 . 1 . . . . 150 . . . 6586 1 65 . 1 1 8 8 THR HG22 H 1 1.321 0.02 . 1 . . . . 150 . . . 6586 1 66 . 1 1 8 8 THR HG23 H 1 1.321 0.02 . 1 . . . . 150 . . . 6586 1 67 . 1 1 9 9 PHE H H 1 8.615 0.02 . 1 . . . . 151 . . . 6586 1 68 . 1 1 9 9 PHE N N 15 117.499 0.1 . 1 . . . . 151 . . . 6586 1 69 . 1 1 9 9 PHE CA C 13 55.554 0.5 . 1 . . . . 151 . . . 6586 1 70 . 1 1 9 9 PHE HA H 1 4.039 0.02 . 1 . . . . 151 . . . 6586 1 71 . 1 1 9 9 PHE C C 13 170.515 0.5 . 1 . . . . 151 . . . 6586 1 72 . 1 1 9 9 PHE CB C 13 32.274 0.5 . 1 . . . . 151 . . . 6586 1 73 . 1 1 9 9 PHE HB2 H 1 2.794 0.02 . 1 . . . . 151 . . . 6586 1 74 . 1 1 9 9 PHE HB3 H 1 3.154 0.02 . 1 . . . . 151 . . . 6586 1 75 . 1 1 10 10 VAL H H 1 8.161 0.02 . 1 . . . . 152 . . . 6586 1 76 . 1 1 10 10 VAL N N 15 111.226 0.1 . 1 . . . . 152 . . . 6586 1 77 . 1 1 10 10 VAL CA C 13 59.153 0.5 . 1 . . . . 152 . . . 6586 1 78 . 1 1 10 10 VAL HA H 1 3.286 0.02 . 1 . . . . 152 . . . 6586 1 79 . 1 1 10 10 VAL C C 13 170.628 0.5 . 1 . . . . 152 . . . 6586 1 80 . 1 1 10 10 VAL CB C 13 23.883 0.5 . 1 . . . . 152 . . . 6586 1 81 . 1 1 10 10 VAL HB H 1 1.999 0.02 . 1 . . . . 152 . . . 6586 1 82 . 1 1 10 10 VAL HG11 H 1 1.156 0.02 . 1 . . . . 152 . . . 6586 1 83 . 1 1 10 10 VAL HG12 H 1 1.156 0.02 . 1 . . . . 152 . . . 6586 1 84 . 1 1 10 10 VAL HG13 H 1 1.156 0.02 . 1 . . . . 152 . . . 6586 1 85 . 1 1 10 10 VAL HG21 H 1 0.899 0.02 . 1 . . . . 152 . . . 6586 1 86 . 1 1 10 10 VAL HG22 H 1 0.899 0.02 . 1 . . . . 152 . . . 6586 1 87 . 1 1 10 10 VAL HG23 H 1 0.899 0.02 . 1 . . . . 152 . . . 6586 1 88 . 1 1 11 11 GLU H H 1 7.516 0.02 . 1 . . . . 153 . . . 6586 1 89 . 1 1 11 11 GLU N N 15 113.800 0.1 . 1 . . . . 153 . . . 6586 1 90 . 1 1 11 11 GLU CA C 13 51.788 0.5 . 1 . . . . 153 . . . 6586 1 91 . 1 1 11 11 GLU HA H 1 3.939 0.02 . 1 . . . . 153 . . . 6586 1 92 . 1 1 11 11 GLU C C 13 173.204 0.5 . 1 . . . . 153 . . . 6586 1 93 . 1 1 11 11 GLU CB C 13 22.183 0.5 . 1 . . . . 153 . . . 6586 1 94 . 1 1 11 11 GLU HB2 H 1 1.557 0.02 . 1 . . . . 153 . . . 6586 1 95 . 1 1 11 11 GLU HB3 H 1 1.498 0.02 . 1 . . . . 153 . . . 6586 1 96 . 1 1 11 11 GLU HG2 H 1 2.328 0.02 . 1 . . . . 153 . . . 6586 1 97 . 1 1 11 11 GLU HG3 H 1 2.249 0.02 . 1 . . . . 153 . . . 6586 1 98 . 1 1 12 12 LYS H H 1 7.691 0.02 . 1 . . . . 154 . . . 6586 1 99 . 1 1 12 12 LYS N N 15 112.715 0.1 . 1 . . . . 154 . . . 6586 1 100 . 1 1 12 12 LYS CA C 13 52.000 0.5 . 1 . . . . 154 . . . 6586 1 101 . 1 1 12 12 LYS HA H 1 3.705 0.02 . 1 . . . . 154 . . . 6586 1 102 . 1 1 12 12 LYS C C 13 172.689 0.5 . 1 . . . . 154 . . . 6586 1 103 . 1 1 12 12 LYS CB C 13 24.379 0.5 . 1 . . . . 154 . . . 6586 1 104 . 1 1 12 12 LYS HB2 H 1 1.984 0.02 . 2 . . . . 154 . . . 6586 1 105 . 1 1 13 13 TYR H H 1 7.633 0.02 . 1 . . . . 155 . . . 6586 1 106 . 1 1 13 13 TYR N N 15 109.102 0.1 . 1 . . . . 155 . . . 6586 1 107 . 1 1 13 13 TYR CA C 13 50.159 0.5 . 1 . . . . 155 . . . 6586 1 108 . 1 1 13 13 TYR HA H 1 4.214 0.02 . 1 . . . . 155 . . . 6586 1 109 . 1 1 13 13 TYR C C 13 169.791 0.5 . 1 . . . . 155 . . . 6586 1 110 . 1 1 13 13 TYR CB C 13 30.470 0.5 . 1 . . . . 155 . . . 6586 1 111 . 1 1 13 13 TYR HB2 H 1 3.294 0.02 . 1 . . . . 155 . . . 6586 1 112 . 1 1 13 13 TYR HB3 H 1 3.226 0.02 . 1 . . . . 155 . . . 6586 1 113 . 1 1 14 14 GLU H H 1 7.861 0.02 . 1 . . . . 156 . . . 6586 1 114 . 1 1 14 14 GLU N N 15 119.046 0.1 . 1 . . . . 156 . . . 6586 1 115 . 1 1 14 14 GLU CA C 13 54.479 0.5 . 1 . . . . 156 . . . 6586 1 116 . 1 1 14 14 GLU HA H 1 3.322 0.02 . 1 . . . . 156 . . . 6586 1 117 . 1 1 14 14 GLU C C 13 170.387 0.5 . 1 . . . . 156 . . . 6586 1 118 . 1 1 14 14 GLU CB C 13 21.404 0.5 . 1 . . . . 156 . . . 6586 1 119 . 1 1 14 14 GLU HB2 H 1 1.791 0.02 . 1 . . . . 156 . . . 6586 1 120 . 1 1 14 14 GLU HB3 H 1 1.918 0.02 . 1 . . . . 156 . . . 6586 1 121 . 1 1 14 14 GLU HG2 H 1 2.419 0.02 . 1 . . . . 156 . . . 6586 1 122 . 1 1 15 15 LYS H H 1 8.420 0.02 . 1 . . . . 157 . . . 6586 1 123 . 1 1 15 15 LYS N N 15 109.870 0.1 . 1 . . . . 157 . . . 6586 1 124 . 1 1 15 15 LYS CA C 13 52.921 0.5 . 1 . . . . 157 . . . 6586 1 125 . 1 1 15 15 LYS HA H 1 3.849 0.02 . 1 . . . . 157 . . . 6586 1 126 . 1 1 15 15 LYS C C 13 171.642 0.5 . 1 . . . . 157 . . . 6586 1 127 . 1 1 15 15 LYS CB C 13 24.166 0.5 . 1 . . . . 157 . . . 6586 1 128 . 1 1 15 15 LYS HB2 H 1 1.833 0.02 . 1 . . . . 157 . . . 6586 1 129 . 1 1 15 15 LYS HB3 H 1 1.955 0.02 . 1 . . . . 157 . . . 6586 1 130 . 1 1 15 15 LYS HG2 H 1 1.521 0.02 . 1 . . . . 157 . . . 6586 1 131 . 1 1 16 16 GLN H H 1 7.619 0.02 . 1 . . . . 158 . . . 6586 1 132 . 1 1 16 16 GLN N N 15 114.787 0.1 . 1 . . . . 158 . . . 6586 1 133 . 1 1 16 16 GLN CA C 13 51.788 0.5 . 1 . . . . 158 . . . 6586 1 134 . 1 1 16 16 GLN HA H 1 4.513 0.02 . 1 . . . . 158 . . . 6586 1 135 . 1 1 16 16 GLN C C 13 172.077 0.5 . 1 . . . . 158 . . . 6586 1 136 . 1 1 16 16 GLN CB C 13 22.113 0.5 . 1 . . . . 158 . . . 6586 1 137 . 1 1 16 16 GLN HB2 H 1 2.427 0.02 . 2 . . . . 158 . . . 6586 1 138 . 1 1 17 17 ILE H H 1 8.424 0.02 . 1 . . . . 159 . . . 6586 1 139 . 1 1 17 17 ILE N N 15 117.057 0.1 . 1 . . . . 159 . . . 6586 1 140 . 1 1 17 17 ILE CA C 13 59.720 0.5 . 1 . . . . 159 . . . 6586 1 141 . 1 1 17 17 ILE HA H 1 3.631 0.02 . 1 . . . . 159 . . . 6586 1 142 . 1 1 17 17 ILE C C 13 172.093 0.5 . 1 . . . . 159 . . . 6586 1 143 . 1 1 17 17 ILE CB C 13 30.753 0.5 . 1 . . . . 159 . . . 6586 1 144 . 1 1 17 17 ILE HB H 1 1.662 0.02 . 1 . . . . 159 . . . 6586 1 145 . 1 1 18 18 LYS H H 1 8.189 0.02 . 1 . . . . 160 . . . 6586 1 146 . 1 1 18 18 LYS N N 15 112.318 0.1 . 1 . . . . 160 . . . 6586 1 147 . 1 1 18 18 LYS CA C 13 52.779 0.5 . 1 . . . . 160 . . . 6586 1 148 . 1 1 18 18 LYS HA H 1 4.207 0.02 . 1 . . . . 160 . . . 6586 1 149 . 1 1 18 18 LYS C C 13 173.848 0.5 . 1 . . . . 160 . . . 6586 1 150 . 1 1 18 18 LYS CB C 13 24.662 0.5 . 1 . . . . 160 . . . 6586 1 151 . 1 1 19 19 HIS H H 1 7.761 0.02 . 1 . . . . 161 . . . 6586 1 152 . 1 1 19 19 HIS N N 15 112.894 0.1 . 1 . . . . 161 . . . 6586 1 153 . 1 1 19 19 HIS CA C 13 51.929 0.5 . 1 . . . . 161 . . . 6586 1 154 . 1 1 19 19 HIS HA H 1 4.025 0.02 . 1 . . . . 161 . . . 6586 1 155 . 1 1 19 19 HIS C C 13 171.594 0.5 . 1 . . . . 161 . . . 6586 1 156 . 1 1 19 19 HIS CB C 13 20.767 0.5 . 1 . . . . 161 . . . 6586 1 157 . 1 1 19 19 HIS HB2 H 1 3.209 0.02 . 1 . . . . 161 . . . 6586 1 158 . 1 1 19 19 HIS HB3 H 1 2.828 0.02 . 1 . . . . 161 . . . 6586 1 159 . 1 1 20 20 PHE H H 1 8.555 0.02 . 1 . . . . 162 . . . 6586 1 160 . 1 1 20 20 PHE N N 15 114.450 0.1 . 1 . . . . 162 . . . 6586 1 161 . 1 1 20 20 PHE CA C 13 54.691 0.5 . 1 . . . . 162 . . . 6586 1 162 . 1 1 20 20 PHE HA H 1 3.897 0.02 . 1 . . . . 162 . . . 6586 1 163 . 1 1 20 20 PHE C C 13 171.175 0.5 . 1 . . . . 162 . . . 6586 1 164 . 1 1 20 20 PHE CB C 13 31.107 0.5 . 1 . . . . 162 . . . 6586 1 165 . 1 1 20 20 PHE HB2 H 1 3.541 0.02 . 1 . . . . 162 . . . 6586 1 166 . 1 1 20 20 PHE HB3 H 1 3.473 0.02 . 1 . . . . 162 . . . 6586 1 167 . 1 1 21 21 GLY H H 1 8.918 0.02 . 1 . . . . 163 . . . 6586 1 168 . 1 1 21 21 GLY N N 15 102.263 0.1 . 1 . . . . 163 . . . 6586 1 169 . 1 1 21 21 GLY CA C 13 39.748 0.5 . 1 . . . . 163 . . . 6586 1 170 . 1 1 21 21 GLY C C 13 163.513 0.5 . 9 . . . . 163 . . . 6586 1 171 . 1 1 22 22 MET H H 1 6.960 0.02 . 1 . . . . 164 . . . 6586 1 172 . 1 1 22 22 MET N N 15 107.844 0.1 . 1 . . . . 164 . . . 6586 1 173 . 1 1 22 22 MET CA C 13 47.042 0.5 . 1 . . . . 164 . . . 6586 1 174 . 1 1 22 22 MET HA H 1 4.534 0.02 . 1 . . . . 164 . . . 6586 1 175 . 1 1 22 22 MET C C 13 171.031 0.5 . 1 . . . . 164 . . . 6586 1 176 . 1 1 22 22 MET CB C 13 25.370 0.5 . 1 . . . . 164 . . . 6586 1 177 . 1 1 22 22 MET HB2 H 1 2.233 0.02 . 2 . . . . 164 . . . 6586 1 178 . 1 1 23 23 LEU H H 1 7.055 0.02 . 1 . . . . 165 . . . 6586 1 179 . 1 1 23 23 LEU N N 15 116.842 0.1 . 1 . . . . 165 . . . 6586 1 180 . 1 1 23 23 LEU CA C 13 48.388 0.5 . 1 . . . . 165 . . . 6586 1 181 . 1 1 23 23 LEU C C 13 168.455 0.5 . 1 . . . . 165 . . . 6586 1 182 . 1 1 23 23 LEU CB C 13 34.507 0.5 . 1 . . . . 165 . . . 6586 1 183 . 1 1 24 24 ARG H H 1 8.147 0.02 . 1 . . . . 166 . . . 6586 1 184 . 1 1 24 24 ARG N N 15 109.991 0.1 . 1 . . . . 166 . . . 6586 1 185 . 1 1 24 24 ARG CA C 13 49.875 0.5 . 1 . . . . 166 . . . 6586 1 186 . 1 1 24 24 ARG HA H 1 4.019 0.02 . 1 . . . . 166 . . . 6586 1 187 . 1 1 24 24 ARG C C 13 170.515 0.5 . 1 . . . . 166 . . . 6586 1 188 . 1 1 24 24 ARG CB C 13 25.654 0.5 . 1 . . . . 166 . . . 6586 1 189 . 1 1 24 24 ARG HB2 H 1 1.552 0.02 . 1 . . . . 166 . . . 6586 1 190 . 1 1 24 24 ARG HB3 H 1 1.455 0.02 . 1 . . . . 166 . . . 6586 1 191 . 1 1 24 24 ARG HG2 H 1 1.276 0.02 . 1 . . . . 166 . . . 6586 1 192 . 1 1 24 24 ARG HD2 H 1 2.913 0.02 . 1 . . . . 166 . . . 6586 1 193 . 1 1 24 24 ARG HD3 H 1 2.927 0.02 . 1 . . . . 166 . . . 6586 1 194 . 1 1 25 25 ARG H H 1 8.254 0.02 . 1 . . . . 167 . . . 6586 1 195 . 1 1 25 25 ARG N N 15 116.383 0.1 . 1 . . . . 167 . . . 6586 1 196 . 1 1 25 25 ARG CA C 13 49.096 0.5 . 1 . . . . 167 . . . 6586 1 197 . 1 1 25 25 ARG HA H 1 5.033 0.02 . 1 . . . . 167 . . . 6586 1 198 . 1 1 25 25 ARG C C 13 171.530 0.5 . 1 . . . . 167 . . . 6586 1 199 . 1 1 25 25 ARG CB C 13 23.742 0.5 . 1 . . . . 167 . . . 6586 1 200 . 1 1 25 25 ARG HB2 H 1 1.815 0.02 . 2 . . . . 167 . . . 6586 1 201 . 1 1 26 26 TRP H H 1 7.886 0.02 . 1 . . . . 168 . . . 6586 1 202 . 1 1 26 26 TRP N N 15 119.132 0.1 . 1 . . . . 168 . . . 6586 1 203 . 1 1 26 26 TRP CA C 13 52.637 0.5 . 1 . . . . 168 . . . 6586 1 204 . 1 1 26 26 TRP HA H 1 4.770 0.02 . 1 . . . . 168 . . . 6586 1 205 . 1 1 26 26 TRP C C 13 172.093 0.5 . 1 . . . . 168 . . . 6586 1 206 . 1 1 26 26 TRP CB C 13 22.962 0.5 . 1 . . . . 168 . . . 6586 1 207 . 1 1 26 26 TRP HB2 H 1 3.596 0.02 . 1 . . . . 168 . . . 6586 1 208 . 1 1 26 26 TRP HB3 H 1 3.354 0.02 . 1 . . . . 168 . . . 6586 1 209 . 1 1 27 27 ASP H H 1 9.010 0.02 . 1 . . . . 169 . . . 6586 1 210 . 1 1 27 27 ASP N N 15 110.989 0.1 . 1 . . . . 169 . . . 6586 1 211 . 1 1 27 27 ASP CA C 13 50.017 0.5 . 1 . . . . 169 . . . 6586 1 212 . 1 1 27 27 ASP HA H 1 4.347 0.02 . 1 . . . . 169 . . . 6586 1 213 . 1 1 27 27 ASP C C 13 172.673 0.5 . 1 . . . . 169 . . . 6586 1 214 . 1 1 27 27 ASP CB C 13 32.240 0.5 . 1 . . . . 169 . . . 6586 1 215 . 1 1 27 27 ASP HB2 H 1 2.713 0.02 . 1 . . . . 169 . . . 6586 1 216 . 1 1 27 27 ASP HB3 H 1 2.601 0.02 . 1 . . . . 169 . . . 6586 1 217 . 1 1 28 28 ASP H H 1 7.136 0.02 . 1 . . . . 170 . . . 6586 1 218 . 1 1 28 28 ASP N N 15 115.290 0.1 . 1 . . . . 170 . . . 6586 1 219 . 1 1 28 28 ASP CA C 13 49.946 0.5 . 1 . . . . 170 . . . 6586 1 220 . 1 1 28 28 ASP HA H 1 4.534 0.02 . 1 . . . . 170 . . . 6586 1 221 . 1 1 28 28 ASP C C 13 172.415 0.5 . 1 . . . . 170 . . . 6586 1 222 . 1 1 28 28 ASP CB C 13 33.019 0.5 . 1 . . . . 170 . . . 6586 1 223 . 1 1 28 28 ASP HB2 H 1 2.829 0.02 . 2 . . . . 170 . . . 6586 1 224 . 1 1 29 29 SER H H 1 8.187 0.02 . 1 . . . . 171 . . . 6586 1 225 . 1 1 29 29 SER N N 15 114.573 0.1 . 1 . . . . 171 . . . 6586 1 226 . 1 1 29 29 SER CA C 13 56.037 0.5 . 1 . . . . 171 . . . 6586 1 227 . 1 1 29 29 SER HA H 1 4.690 0.02 . 1 . . . . 171 . . . 6586 1 228 . 1 1 29 29 SER C C 13 167.779 0.5 . 1 . . . . 171 . . . 6586 1 229 . 1 1 29 29 SER CB C 13 55.037 0.5 . 1 . . . . 171 . . . 6586 1 230 . 1 1 29 29 SER HB2 H 1 4.303 0.02 . 1 . . . . 171 . . . 6586 1 231 . 1 1 29 29 SER HB3 H 1 4.278 0.02 . 1 . . . . 171 . . . 6586 1 232 . 1 1 30 30 GLN H H 1 8.137 0.02 . 1 . . . . 172 . . . 6586 1 233 . 1 1 30 30 GLN N N 15 116.741 0.1 . 1 . . . . 172 . . . 6586 1 234 . 1 1 30 30 GLN CA C 13 53.062 0.5 . 1 . . . . 172 . . . 6586 1 235 . 1 1 30 30 GLN HA H 1 3.220 0.02 . 1 . . . . 172 . . . 6586 1 236 . 1 1 30 30 GLN C C 13 171.224 0.5 . 1 . . . . 172 . . . 6586 1 237 . 1 1 30 30 GLN CB C 13 20.271 0.5 . 1 . . . . 172 . . . 6586 1 238 . 1 1 30 30 GLN HB2 H 1 1.718 0.02 . 1 . . . . 172 . . . 6586 1 239 . 1 1 30 30 GLN HB3 H 1 1.892 0.02 . 1 . . . . 172 . . . 6586 1 240 . 1 1 31 31 LYS H H 1 7.938 0.02 . 1 . . . . 173 . . . 6586 1 241 . 1 1 31 31 LYS N N 15 115.668 0.1 . 1 . . . . 173 . . . 6586 1 242 . 1 1 31 31 LYS CA C 13 52.000 0.5 . 1 . . . . 173 . . . 6586 1 243 . 1 1 31 31 LYS HA H 1 4.041 0.02 . 1 . . . . 173 . . . 6586 1 244 . 1 1 31 31 LYS C C 13 171.063 0.5 . 1 . . . . 173 . . . 6586 1 245 . 1 1 31 31 LYS CB C 13 24.662 0.5 . 1 . . . . 173 . . . 6586 1 246 . 1 1 31 31 LYS HB2 H 1 2.002 0.02 . 2 . . . . 173 . . . 6586 1 247 . 1 1 32 32 TYR H H 1 8.316 0.02 . 1 . . . . 174 . . . 6586 1 248 . 1 1 32 32 TYR N N 15 114.505 0.1 . 1 . . . . 174 . . . 6586 1 249 . 1 1 32 32 TYR CA C 13 55.966 0.5 . 1 . . . . 174 . . . 6586 1 250 . 1 1 32 32 TYR HA H 1 4.272 0.02 . 1 . . . . 174 . . . 6586 1 251 . 1 1 32 32 TYR C C 13 172.463 0.5 . 1 . . . . 174 . . . 6586 1 252 . 1 1 32 32 TYR CB C 13 32.028 0.5 . 1 . . . . 174 . . . 6586 1 253 . 1 1 32 32 TYR HB2 H 1 2.795 0.02 . 1 . . . . 174 . . . 6586 1 254 . 1 1 32 32 TYR HB3 H 1 3.402 0.02 . 1 . . . . 174 . . . 6586 1 255 . 1 1 33 33 LEU H H 1 7.874 0.02 . 1 . . . . 175 . . . 6586 1 256 . 1 1 33 33 LEU N N 15 110.688 0.1 . 1 . . . . 175 . . . 6586 1 257 . 1 1 33 33 LEU CA C 13 49.805 0.5 . 1 . . . . 175 . . . 6586 1 258 . 1 1 33 33 LEU HA H 1 4.699 0.02 . 1 . . . . 175 . . . 6586 1 259 . 1 1 33 33 LEU C C 13 170.934 0.5 . 1 . . . . 175 . . . 6586 1 260 . 1 1 33 33 LEU CB C 13 32.878 0.5 . 1 . . . . 175 . . . 6586 1 261 . 1 1 34 34 SER H H 1 8.007 0.02 . 1 . . . . 176 . . . 6586 1 262 . 1 1 34 34 SER N N 15 107.753 0.1 . 1 . . . . 176 . . . 6586 1 263 . 1 1 34 34 SER CA C 13 54.904 0.5 . 1 . . . . 176 . . . 6586 1 264 . 1 1 34 34 SER HA H 1 4.234 0.02 . 1 . . . . 176 . . . 6586 1 265 . 1 1 34 34 SER C C 13 169.888 0.5 . 1 . . . . 176 . . . 6586 1 266 . 1 1 34 34 SER CB C 13 55.683 0.5 . 1 . . . . 176 . . . 6586 1 267 . 1 1 34 34 SER HB2 H 1 4.094 0.02 . 1 . . . . 176 . . . 6586 1 268 . 1 1 34 34 SER HB3 H 1 4.175 0.02 . 1 . . . . 176 . . . 6586 1 269 . 1 1 35 35 ASP H H 1 7.700 0.02 . 1 . . . . 177 . . . 6586 1 270 . 1 1 35 35 ASP N N 15 113.968 0.1 . 1 . . . . 177 . . . 6586 1 271 . 1 1 35 35 ASP CA C 13 48.246 0.5 . 1 . . . . 177 . . . 6586 1 272 . 1 1 35 35 ASP HA H 1 4.534 0.02 . 1 . . . . 177 . . . 6586 1 273 . 1 1 35 35 ASP C C 13 169.244 0.5 . 1 . . . . 177 . . . 6586 1 274 . 1 1 35 35 ASP CB C 13 34.011 0.5 . 1 . . . . 177 . . . 6586 1 275 . 1 1 35 35 ASP HB2 H 1 2.593 0.02 . 1 . . . . 177 . . . 6586 1 276 . 1 1 35 35 ASP HB3 H 1 2.480 0.02 . 1 . . . . 177 . . . 6586 1 277 . 1 1 36 36 ASN H H 1 7.229 0.02 . 1 . . . . 178 . . . 6586 1 278 . 1 1 36 36 ASN N N 15 116.601 0.1 . 1 . . . . 178 . . . 6586 1 279 . 1 1 36 36 ASN CA C 13 44.776 0.5 . 1 . . . . 178 . . . 6586 1 280 . 1 1 36 36 ASN HA H 1 4.824 0.02 . 1 . . . . 178 . . . 6586 1 281 . 1 1 36 36 ASN C C 13 169.855 0.5 . 1 . . . . 178 . . . 6586 1 282 . 1 1 36 36 ASN CB C 13 31.886 0.5 . 1 . . . . 178 . . . 6586 1 283 . 1 1 36 36 ASN HB2 H 1 1.976 0.02 . 1 . . . . 178 . . . 6586 1 284 . 1 1 36 36 ASN HB3 H 1 1.638 0.02 . 1 . . . . 178 . . . 6586 1 285 . 1 1 37 37 VAL H H 1 7.698 0.02 . 1 . . . . 179 . . . 6586 1 286 . 1 1 37 37 VAL N N 15 115.681 0.1 . 1 . . . . 179 . . . 6586 1 287 . 1 1 37 37 VAL CA C 13 58.516 0.5 . 1 . . . . 179 . . . 6586 1 288 . 1 1 37 37 VAL HA H 1 3.777 0.02 . 1 . . . . 179 . . . 6586 1 289 . 1 1 37 37 VAL C C 13 170.660 0.5 . 1 . . . . 179 . . . 6586 1 290 . 1 1 37 37 VAL CB C 13 24.591 0.5 . 1 . . . . 179 . . . 6586 1 291 . 1 1 37 37 VAL HB H 1 2.107 0.02 . 1 . . . . 179 . . . 6586 1 292 . 1 1 37 37 VAL HG11 H 1 1.084 0.02 . 1 . . . . 179 . . . 6586 1 293 . 1 1 37 37 VAL HG12 H 1 1.084 0.02 . 1 . . . . 179 . . . 6586 1 294 . 1 1 37 37 VAL HG13 H 1 1.084 0.02 . 1 . . . . 179 . . . 6586 1 295 . 1 1 37 37 VAL HG21 H 1 1.063 0.02 . 1 . . . . 179 . . . 6586 1 296 . 1 1 37 37 VAL HG22 H 1 1.063 0.02 . 1 . . . . 179 . . . 6586 1 297 . 1 1 37 37 VAL HG23 H 1 1.063 0.02 . 1 . . . . 179 . . . 6586 1 298 . 1 1 38 38 HIS H H 1 7.950 0.02 . 1 . . . . 180 . . . 6586 1 299 . 1 1 38 38 HIS N N 15 112.879 0.1 . 1 . . . . 180 . . . 6586 1 300 . 1 1 38 38 HIS CA C 13 50.300 0.5 . 1 . . . . 180 . . . 6586 1 301 . 1 1 38 38 HIS HA H 1 4.249 0.02 . 1 . . . . 180 . . . 6586 1 302 . 1 1 38 38 HIS C C 13 169.791 0.5 . 1 . . . . 180 . . . 6586 1 303 . 1 1 38 38 HIS CB C 13 21.900 0.5 . 1 . . . . 180 . . . 6586 1 304 . 1 1 38 38 HIS HB2 H 1 2.967 0.02 . 1 . . . . 180 . . . 6586 1 305 . 1 1 38 38 HIS HB3 H 1 2.795 0.02 . 1 . . . . 180 . . . 6586 1 306 . 1 1 39 39 LEU H H 1 7.310 0.02 . 1 . . . . 181 . . . 6586 1 307 . 1 1 39 39 LEU N N 15 111.466 0.1 . 1 . . . . 181 . . . 6586 1 308 . 1 1 39 39 LEU CA C 13 48.459 0.5 . 1 . . . . 181 . . . 6586 1 309 . 1 1 39 39 LEU HA H 1 3.878 0.02 . 1 . . . . 181 . . . 6586 1 310 . 1 1 39 39 LEU C C 13 171.642 0.5 . 1 . . . . 181 . . . 6586 1 311 . 1 1 39 39 LEU CB C 13 34.719 0.5 . 1 . . . . 181 . . . 6586 1 312 . 1 1 39 39 LEU HB2 H 1 1.857 0.02 . 2 . . . . 181 . . . 6586 1 313 . 1 1 40 40 VAL H H 1 7.621 0.02 . 1 . . . . 182 . . . 6586 1 314 . 1 1 40 40 VAL N N 15 115.009 0.1 . 1 . . . . 182 . . . 6586 1 315 . 1 1 40 40 VAL CA C 13 54.904 0.5 . 1 . . . . 182 . . . 6586 1 316 . 1 1 40 40 VAL HA H 1 3.712 0.02 . 1 . . . . 182 . . . 6586 1 317 . 1 1 40 40 VAL C C 13 165.654 0.5 . 1 . . . . 182 . . . 6586 1 318 . 1 1 40 40 VAL CB C 13 20.554 0.5 . 1 . . . . 182 . . . 6586 1 319 . 1 1 40 40 VAL HB H 1 2.227 0.02 . 1 . . . . 182 . . . 6586 1 320 . 1 1 40 40 VAL HG11 H 1 0.736 0.02 . 1 . . . . 182 . . . 6586 1 321 . 1 1 40 40 VAL HG12 H 1 0.736 0.02 . 1 . . . . 182 . . . 6586 1 322 . 1 1 40 40 VAL HG13 H 1 0.736 0.02 . 1 . . . . 182 . . . 6586 1 323 . 1 1 40 40 VAL HG21 H 1 0.369 0.02 . 1 . . . . 182 . . . 6586 1 324 . 1 1 40 40 VAL HG22 H 1 0.369 0.02 . 1 . . . . 182 . . . 6586 1 325 . 1 1 40 40 VAL HG23 H 1 0.369 0.02 . 1 . . . . 182 . . . 6586 1 326 . 1 1 41 41 CYS H H 1 7.704 0.02 . 1 . . . . 183 . . . 6586 1 327 . 1 1 41 41 CYS N N 15 113.763 0.1 . 1 . . . . 183 . . . 6586 1 328 . 1 1 41 41 CYS CA C 13 49.167 0.5 . 1 . . . . 183 . . . 6586 1 329 . 1 1 41 41 CYS HA H 1 4.717 0.02 . 1 . . . . 183 . . . 6586 1 330 . 1 1 41 41 CYS C C 13 166.733 0.5 . 1 . . . . 183 . . . 6586 1 331 . 1 1 41 41 CYS CB C 13 22.750 0.5 . 1 . . . . 183 . . . 6586 1 332 . 1 1 41 41 CYS HB2 H 1 2.936 0.02 . 1 . . . . 183 . . . 6586 1 333 . 1 1 41 41 CYS HB3 H 1 2.898 0.02 . 1 . . . . 183 . . . 6586 1 334 . 1 1 42 42 GLU H H 1 8.863 0.02 . 1 . . . . 184 . . . 6586 1 335 . 1 1 42 42 GLU N N 15 116.482 0.1 . 1 . . . . 184 . . . 6586 1 336 . 1 1 42 42 GLU CA C 13 52.070 0.5 . 1 . . . . 184 . . . 6586 1 337 . 1 1 42 42 GLU HA H 1 3.891 0.02 . 1 . . . . 184 . . . 6586 1 338 . 1 1 42 42 GLU C C 13 171.127 0.5 . 1 . . . . 184 . . . 6586 1 339 . 1 1 42 42 GLU CB C 13 21.758 0.5 . 1 . . . . 184 . . . 6586 1 340 . 1 1 42 42 GLU HB2 H 1 1.970 0.02 . 2 . . . . 184 . . . 6586 1 341 . 1 1 43 43 GLU H H 1 9.000 0.02 . 1 . . . . 185 . . . 6586 1 342 . 1 1 43 43 GLU N N 15 114.757 0.1 . 1 . . . . 185 . . . 6586 1 343 . 1 1 43 43 GLU CA C 13 53.977 0.5 . 1 . . . . 185 . . . 6586 1 344 . 1 1 43 43 GLU HA H 1 4.002 0.02 . 1 . . . . 185 . . . 6586 1 345 . 1 1 43 43 GLU C C 13 172.978 0.5 . 1 . . . . 185 . . . 6586 1 346 . 1 1 43 43 GLU CB C 13 21.310 0.5 . 1 . . . . 185 . . . 6586 1 347 . 1 1 43 43 GLU HB2 H 1 1.618 0.02 . 1 . . . . 185 . . . 6586 1 348 . 1 1 43 43 GLU HB3 H 1 1.581 0.02 . 1 . . . . 185 . . . 6586 1 349 . 1 1 43 43 GLU HG2 H 1 2.258 0.02 . 1 . . . . 185 . . . 6586 1 350 . 1 1 43 43 GLU HG3 H 1 2.334 0.02 . 1 . . . . 185 . . . 6586 1 351 . 1 1 44 44 THR H H 1 7.383 0.02 . 1 . . . . 186 . . . 6586 1 352 . 1 1 44 44 THR N N 15 113.941 0.1 . 1 . . . . 186 . . . 6586 1 353 . 1 1 44 44 THR CA C 13 59.436 0.5 . 1 . . . . 186 . . . 6586 1 354 . 1 1 44 44 THR HA H 1 4.511 0.02 . 1 . . . . 186 . . . 6586 1 355 . 1 1 44 44 THR C C 13 169.115 0.5 . 1 . . . . 186 . . . 6586 1 356 . 1 1 44 44 THR CB C 13 60.924 0.5 . 1 . . . . 186 . . . 6586 1 357 . 1 1 44 44 THR HB H 1 3.964 0.02 . 1 . . . . 186 . . . 6586 1 358 . 1 1 44 44 THR HG21 H 1 1.285 0.02 . 1 . . . . 186 . . . 6586 1 359 . 1 1 44 44 THR HG22 H 1 1.285 0.02 . 1 . . . . 186 . . . 6586 1 360 . 1 1 44 44 THR HG23 H 1 1.285 0.02 . 1 . . . . 186 . . . 6586 1 361 . 1 1 45 45 ALA H H 1 6.912 0.02 . 1 . . . . 187 . . . 6586 1 362 . 1 1 45 45 ALA N N 15 117.451 0.1 . 1 . . . . 187 . . . 6586 1 363 . 1 1 45 45 ALA CA C 13 48.955 0.5 . 1 . . . . 187 . . . 6586 1 364 . 1 1 45 45 ALA HA H 1 4.041 0.02 . 1 . . . . 187 . . . 6586 1 365 . 1 1 45 45 ALA C C 13 171.530 0.5 . 1 . . . . 187 . . . 6586 1 366 . 1 1 45 45 ALA CB C 13 10.143 0.5 . 1 . . . . 187 . . . 6586 1 367 . 1 1 46 46 ASN H H 1 8.676 0.02 . 1 . . . . 188 . . . 6586 1 368 . 1 1 46 46 ASN N N 15 109.988 0.1 . 1 . . . . 188 . . . 6586 1 369 . 1 1 46 46 ASN CA C 13 48.884 0.5 . 1 . . . . 188 . . . 6586 1 370 . 1 1 46 46 ASN HA H 1 4.459 0.02 . 1 . . . . 188 . . . 6586 1 371 . 1 1 46 46 ASN C C 13 171.272 0.5 . 1 . . . . 188 . . . 6586 1 372 . 1 1 46 46 ASN CB C 13 30.611 0.5 . 1 . . . . 188 . . . 6586 1 373 . 1 1 46 46 ASN HB2 H 1 2.920 0.02 . 2 . . . . 188 . . . 6586 1 374 . 1 1 47 47 TYR H H 1 8.066 0.02 . 1 . . . . 189 . . . 6586 1 375 . 1 1 47 47 TYR N N 15 115.765 0.1 . 1 . . . . 189 . . . 6586 1 376 . 1 1 47 47 TYR CA C 13 54.691 0.5 . 1 . . . . 189 . . . 6586 1 377 . 1 1 47 47 TYR HA H 1 4.189 0.02 . 1 . . . . 189 . . . 6586 1 378 . 1 1 47 47 TYR C C 13 171.369 0.5 . 1 . . . . 189 . . . 6586 1 379 . 1 1 47 47 TYR CB C 13 30.824 0.5 . 1 . . . . 189 . . . 6586 1 380 . 1 1 47 47 TYR HB2 H 1 3.395 0.02 . 1 . . . . 189 . . . 6586 1 381 . 1 1 47 47 TYR HB3 H 1 3.267 0.02 . 1 . . . . 189 . . . 6586 1 382 . 1 1 48 48 LEU H H 1 8.344 0.02 . 1 . . . . 190 . . . 6586 1 383 . 1 1 48 48 LEU N N 15 115.334 0.1 . 1 . . . . 190 . . . 6586 1 384 . 1 1 48 48 LEU CA C 13 51.858 0.5 . 1 . . . . 190 . . . 6586 1 385 . 1 1 48 48 LEU HA H 1 3.140 0.02 . 1 . . . . 190 . . . 6586 1 386 . 1 1 48 48 LEU C C 13 171.256 0.5 . 1 . . . . 190 . . . 6586 1 387 . 1 1 48 48 LEU CB C 13 33.657 0.5 . 1 . . . . 190 . . . 6586 1 388 . 1 1 49 49 VAL H H 1 8.069 0.02 . 1 . . . . 191 . . . 6586 1 389 . 1 1 49 49 VAL N N 15 113.986 0.1 . 1 . . . . 191 . . . 6586 1 390 . 1 1 49 49 VAL CA C 13 53.702 0.5 . 1 . . . . 191 . . . 6586 1 391 . 1 1 49 49 VAL HA H 1 3.804 0.02 . 1 . . . . 191 . . . 6586 1 392 . 1 1 49 49 VAL C C 13 170.596 0.5 . 1 . . . . 191 . . . 6586 1 393 . 1 1 49 49 VAL CB C 13 22.084 0.5 . 9 . . . . 191 . . . 6586 1 394 . 1 1 49 49 VAL HB H 1 2.366 0.02 . 1 . . . . 191 . . . 6586 1 395 . 1 1 50 50 ILE H H 1 7.091 0.02 . 1 . . . . 192 . . . 6586 1 396 . 1 1 50 50 ILE N N 15 112.741 0.1 . 1 . . . . 192 . . . 6586 1 397 . 1 1 50 50 ILE CA C 13 57.170 0.5 . 1 . . . . 192 . . . 6586 1 398 . 1 1 50 50 ILE HA H 1 3.629 0.02 . 1 . . . . 192 . . . 6586 1 399 . 1 1 50 50 ILE C C 13 171.787 0.5 . 1 . . . . 192 . . . 6586 1 400 . 1 1 50 50 ILE CB C 13 29.620 0.5 . 1 . . . . 192 . . . 6586 1 401 . 1 1 50 50 ILE HB H 1 1.978 0.02 . 1 . . . . 192 . . . 6586 1 402 . 1 1 50 50 ILE HG12 H 1 0.892 0.02 . 1 . . . . 192 . . . 6586 1 403 . 1 1 50 50 ILE HD11 H 1 0.851 0.02 . 4 . . . . 192 . . . 6586 1 404 . 1 1 50 50 ILE HD12 H 1 0.851 0.02 . 4 . . . . 192 . . . 6586 1 405 . 1 1 50 50 ILE HD13 H 1 0.851 0.02 . 4 . . . . 192 . . . 6586 1 406 . 1 1 51 51 TRP H H 1 8.524 0.02 . 1 . . . . 193 . . . 6586 1 407 . 1 1 51 51 TRP N N 15 117.372 0.1 . 1 . . . . 193 . . . 6586 1 408 . 1 1 51 51 TRP CA C 13 50.725 0.5 . 1 . . . . 193 . . . 6586 1 409 . 1 1 51 51 TRP HA H 1 4.792 0.02 . 1 . . . . 193 . . . 6586 1 410 . 1 1 51 51 TRP C C 13 171.272 0.5 . 1 . . . . 193 . . . 6586 1 411 . 1 1 51 51 TRP CB C 13 21.334 0.5 . 1 . . . . 193 . . . 6586 1 412 . 1 1 51 51 TRP HB2 H 1 3.585 0.02 . 1 . . . . 193 . . . 6586 1 413 . 1 1 51 51 TRP HB3 H 1 2.914 0.02 . 1 . . . . 193 . . . 6586 1 414 . 1 1 52 52 CYS H H 1 8.520 0.02 . 1 . . . . 194 . . . 6586 1 415 . 1 1 52 52 CYS N N 15 110.650 0.1 . 1 . . . . 194 . . . 6586 1 416 . 1 1 52 52 CYS CA C 13 59.224 0.5 . 1 . . . . 194 . . . 6586 1 417 . 1 1 52 52 CYS HA H 1 3.705 0.02 . 1 . . . . 194 . . . 6586 1 418 . 1 1 52 52 CYS C C 13 169.614 0.5 . 1 . . . . 194 . . . 6586 1 419 . 1 1 52 52 CYS CB C 13 19.775 0.5 . 1 . . . . 194 . . . 6586 1 420 . 1 1 52 52 CYS HB2 H 1 2.586 0.02 . 2 . . . . 194 . . . 6586 1 421 . 1 1 53 53 ILE H H 1 7.595 0.02 . 1 . . . . 195 . . . 6586 1 422 . 1 1 53 53 ILE N N 15 113.348 0.1 . 1 . . . . 195 . . . 6586 1 423 . 1 1 53 53 ILE CA C 13 58.870 0.5 . 1 . . . . 195 . . . 6586 1 424 . 1 1 53 53 ILE HA H 1 3.476 0.02 . 1 . . . . 195 . . . 6586 1 425 . 1 1 53 53 ILE C C 13 170.773 0.5 . 1 . . . . 195 . . . 6586 1 426 . 1 1 53 53 ILE CB C 13 30.470 0.5 . 1 . . . . 195 . . . 6586 1 427 . 1 1 53 53 ILE HB H 1 2.008 0.02 . 1 . . . . 195 . . . 6586 1 428 . 1 1 53 53 ILE HG12 H 1 1.123 0.02 . 1 . . . . 195 . . . 6586 1 429 . 1 1 53 53 ILE HD11 H 1 0.829 0.02 . 4 . . . . 195 . . . 6586 1 430 . 1 1 53 53 ILE HD12 H 1 0.829 0.02 . 4 . . . . 195 . . . 6586 1 431 . 1 1 53 53 ILE HD13 H 1 0.829 0.02 . 4 . . . . 195 . . . 6586 1 432 . 1 1 54 54 ASP H H 1 8.361 0.02 . 1 . . . . 196 . . . 6586 1 433 . 1 1 54 54 ASP N N 15 116.247 0.1 . 1 . . . . 196 . . . 6586 1 434 . 1 1 54 54 ASP CA C 13 50.938 0.5 . 1 . . . . 196 . . . 6586 1 435 . 1 1 54 54 ASP HA H 1 4.287 0.02 . 1 . . . . 196 . . . 6586 1 436 . 1 1 54 54 ASP C C 13 172.560 0.5 . 1 . . . . 196 . . . 6586 1 437 . 1 1 54 54 ASP CB C 13 32.736 0.5 . 1 . . . . 196 . . . 6586 1 438 . 1 1 54 54 ASP HB2 H 1 3.183 0.02 . 1 . . . . 196 . . . 6586 1 439 . 1 1 54 54 ASP HB3 H 1 2.823 0.02 . 1 . . . . 196 . . . 6586 1 440 . 1 1 55 55 LEU H H 1 8.694 0.02 . 1 . . . . 197 . . . 6586 1 441 . 1 1 55 55 LEU N N 15 115.761 0.1 . 1 . . . . 197 . . . 6586 1 442 . 1 1 55 55 LEU CA C 13 50.867 0.5 . 1 . . . . 197 . . . 6586 1 443 . 1 1 55 55 LEU C C 13 171.980 0.5 . 1 . . . . 197 . . . 6586 1 444 . 1 1 55 55 LEU CB C 13 34.294 0.5 . 1 . . . . 197 . . . 6586 1 445 . 1 1 56 56 GLU H H 1 7.850 0.02 . 1 . . . . 198 . . . 6586 1 446 . 1 1 56 56 GLU N N 15 116.141 0.1 . 1 . . . . 198 . . . 6586 1 447 . 1 1 56 56 GLU CA C 13 51.433 0.5 . 1 . . . . 198 . . . 6586 1 448 . 1 1 56 56 GLU HA H 1 3.998 0.02 . 1 . . . . 198 . . . 6586 1 449 . 1 1 56 56 GLU C C 13 174.379 0.5 . 1 . . . . 198 . . . 6586 1 450 . 1 1 56 56 GLU CB C 13 20.767 0.5 . 1 . . . . 198 . . . 6586 1 451 . 1 1 56 56 GLU HB2 H 1 1.954 0.02 . 1 . . . . 198 . . . 6586 1 452 . 1 1 56 56 GLU HB3 H 1 1.894 0.02 . 1 . . . . 198 . . . 6586 1 453 . 1 1 57 57 VAL H H 1 8.702 0.02 . 1 . . . . 199 . . . 6586 1 454 . 1 1 57 57 VAL N N 15 118.898 0.1 . 1 . . . . 199 . . . 6586 1 455 . 1 1 57 57 VAL CA C 13 59.685 0.5 . 1 . . . . 199 . . . 6586 1 456 . 1 1 57 57 VAL HA H 1 3.606 0.02 . 1 . . . . 199 . . . 6586 1 457 . 1 1 57 57 VAL C C 13 170.966 0.5 . 1 . . . . 199 . . . 6586 1 458 . 1 1 57 57 VAL CB C 13 23.713 0.5 . 1 . . . . 199 . . . 6586 1 459 . 1 1 57 57 VAL HB H 1 2.383 0.02 . 1 . . . . 199 . . . 6586 1 460 . 1 1 57 57 VAL HG11 H 1 0.962 0.02 . 1 . . . . 199 . . . 6586 1 461 . 1 1 57 57 VAL HG12 H 1 0.962 0.02 . 1 . . . . 199 . . . 6586 1 462 . 1 1 57 57 VAL HG13 H 1 0.962 0.02 . 1 . . . . 199 . . . 6586 1 463 . 1 1 57 57 VAL HG21 H 1 1.160 0.02 . 1 . . . . 199 . . . 6586 1 464 . 1 1 57 57 VAL HG22 H 1 1.160 0.02 . 1 . . . . 199 . . . 6586 1 465 . 1 1 57 57 VAL HG23 H 1 1.160 0.02 . 1 . . . . 199 . . . 6586 1 466 . 1 1 58 58 GLU H H 1 7.614 0.02 . 1 . . . . 200 . . . 6586 1 467 . 1 1 58 58 GLU N N 15 112.153 0.1 . 1 . . . . 200 . . . 6586 1 468 . 1 1 58 58 GLU CA C 13 49.309 0.5 . 1 . . . . 200 . . . 6586 1 469 . 1 1 58 58 GLU HA H 1 4.230 0.02 . 1 . . . . 200 . . . 6586 1 470 . 1 1 58 58 GLU C C 13 168.181 0.5 . 1 . . . . 200 . . . 6586 1 471 . 1 1 58 58 GLU CB C 13 21.971 0.5 . 1 . . . . 200 . . . 6586 1 472 . 1 1 58 58 GLU HB2 H 1 2.252 0.02 . 1 . . . . 200 . . . 6586 1 473 . 1 1 59 59 GLU H H 1 7.934 0.02 . 1 . . . . 201 . . . 6586 1 474 . 1 1 59 59 GLU N N 15 109.942 0.1 . 1 . . . . 201 . . . 6586 1 475 . 1 1 59 59 GLU CA C 13 50.654 0.5 . 1 . . . . 201 . . . 6586 1 476 . 1 1 59 59 GLU HA H 1 3.858 0.02 . 1 . . . . 201 . . . 6586 1 477 . 1 1 59 59 GLU C C 13 170.210 0.5 . 1 . . . . 201 . . . 6586 1 478 . 1 1 59 59 GLU CB C 13 18.713 0.5 . 1 . . . . 201 . . . 6586 1 479 . 1 1 59 59 GLU HB3 H 1 2.207 0.02 . 2 . . . . 201 . . . 6586 1 480 . 1 1 59 59 GLU HG2 H 1 2.356 0.02 . 1 . . . . 201 . . . 6586 1 481 . 1 1 60 60 LYS H H 1 8.494 0.02 . 1 . . . . 202 . . . 6586 1 482 . 1 1 60 60 LYS N N 15 119.325 0.1 . 1 . . . . 202 . . . 6586 1 483 . 1 1 60 60 LYS CA C 13 47.143 0.5 . 1 . . . . 202 . . . 6586 1 484 . 1 1 60 60 LYS HA H 1 4.724 0.02 . 1 . . . . 202 . . . 6586 1 485 . 1 1 60 60 LYS C C 13 170.773 0.5 . 1 . . . . 202 . . . 6586 1 486 . 1 1 60 60 LYS CB C 13 22.436 0.5 . 1 . . . . 202 . . . 6586 1 487 . 1 1 60 60 LYS HB2 H 1 1.848 0.02 . 1 . . . . 202 . . . 6586 1 488 . 1 1 60 60 LYS HB3 H 1 1.787 0.02 . 1 . . . . 202 . . . 6586 1 489 . 1 1 61 61 CYS H H 1 7.247 0.02 . 1 . . . . 203 . . . 6586 1 490 . 1 1 61 61 CYS N N 15 113.762 0.1 . 1 . . . . 203 . . . 6586 1 491 . 1 1 61 61 CYS CA C 13 55.683 0.5 . 1 . . . . 203 . . . 6586 1 492 . 1 1 61 61 CYS HA H 1 3.746 0.02 . 1 . . . . 203 . . . 6586 1 493 . 1 1 61 61 CYS C C 13 170.065 0.5 . 1 . . . . 203 . . . 6586 1 494 . 1 1 61 61 CYS CB C 13 20.271 0.5 . 1 . . . . 203 . . . 6586 1 495 . 1 1 61 61 CYS HB2 H 1 3.317 0.02 . 1 . . . . 203 . . . 6586 1 496 . 1 1 61 61 CYS HB3 H 1 2.583 0.02 . 1 . . . . 203 . . . 6586 1 497 . 1 1 62 62 ALA H H 1 8.331 0.02 . 1 . . . . 204 . . . 6586 1 498 . 1 1 62 62 ALA N N 15 117.337 0.1 . 1 . . . . 204 . . . 6586 1 499 . 1 1 62 62 ALA CA C 13 47.892 0.5 . 1 . . . . 204 . . . 6586 1 500 . 1 1 62 62 ALA HA H 1 4.212 0.02 . 1 . . . . 204 . . . 6586 1 501 . 1 1 62 62 ALA C C 13 169.485 0.5 . 1 . . . . 204 . . . 6586 1 502 . 1 1 62 62 ALA CB C 13 9.789 0.5 . 1 . . . . 204 . . . 6586 1 503 . 1 1 63 63 LEU H H 1 7.696 0.02 . 1 . . . . 205 . . . 6586 1 504 . 1 1 63 63 LEU N N 15 116.090 0.1 . 1 . . . . 205 . . . 6586 1 505 . 1 1 63 63 LEU CA C 13 50.088 0.5 . 1 . . . . 205 . . . 6586 1 506 . 1 1 63 63 LEU C C 13 171.626 0.5 . 1 . . . . 205 . . . 6586 1 507 . 1 1 63 63 LEU CB C 13 33.444 0.5 . 1 . . . . 205 . . . 6586 1 508 . 1 1 64 64 MET H H 1 8.297 0.02 . 1 . . . . 206 . . . 6586 1 509 . 1 1 64 64 MET N N 15 114.766 0.1 . 1 . . . . 206 . . . 6586 1 510 . 1 1 64 64 MET CA C 13 53.983 0.5 . 1 . . . . 206 . . . 6586 1 511 . 1 1 64 64 MET HA H 1 3.537 0.02 . 1 . . . . 206 . . . 6586 1 512 . 1 1 64 64 MET C C 13 171.175 0.5 . 1 . . . . 206 . . . 6586 1 513 . 1 1 64 64 MET CB C 13 23.387 0.5 . 1 . . . . 206 . . . 6586 1 514 . 1 1 64 64 MET HB2 H 1 2.403 0.02 . 2 . . . . 206 . . . 6586 1 515 . 1 1 65 65 GLU H H 1 7.793 0.02 . 1 . . . . 207 . . . 6586 1 516 . 1 1 65 65 GLU N N 15 111.910 0.1 . 1 . . . . 207 . . . 6586 1 517 . 1 1 65 65 GLU CA C 13 53.629 0.5 . 1 . . . . 207 . . . 6586 1 518 . 1 1 65 65 GLU HA H 1 3.750 0.02 . 1 . . . . 207 . . . 6586 1 519 . 1 1 65 65 GLU C C 13 172.544 0.5 . 1 . . . . 207 . . . 6586 1 520 . 1 1 65 65 GLU CB C 13 21.475 0.5 . 1 . . . . 207 . . . 6586 1 521 . 1 1 65 65 GLU HB2 H 1 2.175 0.02 . 2 . . . . 207 . . . 6586 1 522 . 1 1 66 66 GLN H H 1 7.416 0.02 . 1 . . . . 208 . . . 6586 1 523 . 1 1 66 66 GLN N N 15 117.784 0.1 . 1 . . . . 208 . . . 6586 1 524 . 1 1 66 66 GLN CA C 13 51.575 0.5 . 1 . . . . 208 . . . 6586 1 525 . 1 1 66 66 GLN HA H 1 4.003 0.02 . 1 . . . . 208 . . . 6586 1 526 . 1 1 66 66 GLN C C 13 171.240 0.5 . 1 . . . . 208 . . . 6586 1 527 . 1 1 66 66 GLN CB C 13 20.625 0.5 . 1 . . . . 208 . . . 6586 1 528 . 1 1 66 66 GLN HB2 H 1 2.212 0.02 . 2 . . . . 208 . . . 6586 1 529 . 1 1 67 67 VAL H H 1 8.276 0.02 . 1 . . . . 209 . . . 6586 1 530 . 1 1 67 67 VAL N N 15 117.814 0.1 . 1 . . . . 209 . . . 6586 1 531 . 1 1 67 67 VAL CA C 13 57.949 0.5 . 1 . . . . 209 . . . 6586 1 532 . 1 1 67 67 VAL HA H 1 4.228 0.02 . 1 . . . . 209 . . . 6586 1 533 . 1 1 67 67 VAL C C 13 174.830 0.5 . 1 . . . . 209 . . . 6586 1 534 . 1 1 67 67 VAL CB C 13 23.387 0.5 . 1 . . . . 209 . . . 6586 1 535 . 1 1 67 67 VAL HG11 H 1 0.834 0.02 . 1 . . . . 209 . . . 6586 1 536 . 1 1 67 67 VAL HG12 H 1 0.834 0.02 . 1 . . . . 209 . . . 6586 1 537 . 1 1 67 67 VAL HG13 H 1 0.834 0.02 . 1 . . . . 209 . . . 6586 1 538 . 1 1 67 67 VAL HG21 H 1 0.692 0.02 . 1 . . . . 209 . . . 6586 1 539 . 1 1 67 67 VAL HG22 H 1 0.692 0.02 . 1 . . . . 209 . . . 6586 1 540 . 1 1 67 67 VAL HG23 H 1 0.692 0.02 . 1 . . . . 209 . . . 6586 1 541 . 1 1 68 68 ALA H H 1 9.746 0.02 . 1 . . . . 210 . . . 6586 1 542 . 1 1 68 68 ALA N N 15 122.581 0.1 . 1 . . . . 210 . . . 6586 1 543 . 1 1 68 68 ALA CA C 13 48.671 0.5 . 1 . . . . 210 . . . 6586 1 544 . 1 1 68 68 ALA HA H 1 4.154 0.02 . 1 . . . . 210 . . . 6586 1 545 . 1 1 68 68 ALA C C 13 172.238 0.5 . 1 . . . . 210 . . . 6586 1 546 . 1 1 68 68 ALA CB C 13 10.852 0.5 . 1 . . . . 210 . . . 6586 1 547 . 1 1 69 69 HIS H H 1 7.504 0.02 . 1 . . . . 211 . . . 6586 1 548 . 1 1 69 69 HIS N N 15 110.894 0.1 . 1 . . . . 211 . . . 6586 1 549 . 1 1 69 69 HIS CA C 13 53.912 0.5 . 1 . . . . 211 . . . 6586 1 550 . 1 1 69 69 HIS HA H 1 4.047 0.02 . 1 . . . . 211 . . . 6586 1 551 . 1 1 69 69 HIS C C 13 169.646 0.5 . 1 . . . . 211 . . . 6586 1 552 . 1 1 69 69 HIS CB C 13 20.838 0.5 . 1 . . . . 211 . . . 6586 1 553 . 1 1 69 69 HIS HB2 H 1 3.765 0.02 . 1 . . . . 211 . . . 6586 1 554 . 1 1 69 69 HIS HB3 H 1 3.514 0.02 . 1 . . . . 211 . . . 6586 1 555 . 1 1 70 70 GLN H H 1 7.199 0.02 . 1 . . . . 212 . . . 6586 1 556 . 1 1 70 70 GLN N N 15 111.928 0.1 . 1 . . . . 212 . . . 6586 1 557 . 1 1 70 70 GLN CA C 13 50.088 0.5 . 1 . . . . 212 . . . 6586 1 558 . 1 1 70 70 GLN HA H 1 4.122 0.02 . 1 . . . . 212 . . . 6586 1 559 . 1 1 70 70 GLN C C 13 170.822 0.5 . 1 . . . . 212 . . . 6586 1 560 . 1 1 70 70 GLN CB C 13 22.892 0.5 . 1 . . . . 212 . . . 6586 1 561 . 1 1 70 70 GLN HB2 H 1 1.735 0.02 . 2 . . . . 212 . . . 6586 1 562 . 1 1 71 71 THR H H 1 8.573 0.02 . 1 . . . . 213 . . . 6586 1 563 . 1 1 71 71 THR N N 15 115.231 0.1 . 1 . . . . 213 . . . 6586 1 564 . 1 1 71 71 THR CA C 13 60.853 0.5 . 1 . . . . 213 . . . 6586 1 565 . 1 1 71 71 THR HA H 1 4.140 0.02 . 1 . . . . 213 . . . 6586 1 566 . 1 1 71 71 THR C C 13 171.038 0.5 . 1 . . . . 213 . . . 6586 1 567 . 1 1 71 71 THR HB H 1 3.786 0.02 . 1 . . . . 213 . . . 6586 1 568 . 1 1 72 72 ILE H H 1 7.693 0.02 . 1 . . . . 214 . . . 6586 1 569 . 1 1 72 72 ILE N N 15 116.652 0.1 . 1 . . . . 214 . . . 6586 1 570 . 1 1 72 72 ILE CA C 13 53.841 0.5 . 1 . . . . 214 . . . 6586 1 571 . 1 1 72 72 ILE HA H 1 3.705 0.02 . 1 . . . . 214 . . . 6586 1 572 . 1 1 72 72 ILE C C 13 174.570 0.5 . 1 . . . . 214 . . . 6586 1 573 . 1 1 72 72 ILE CB C 13 26.362 0.5 . 9 . . . . 214 . . . 6586 1 574 . 1 1 73 73 VAL H H 1 7.803 0.02 . 1 . . . . 215 . . . 6586 1 575 . 1 1 73 73 VAL N N 15 117.218 0.1 . 1 . . . . 215 . . . 6586 1 576 . 1 1 73 73 VAL CA C 13 54.077 0.5 . 1 . . . . 215 . . . 6586 1 577 . 1 1 73 73 VAL HA H 1 3.408 0.02 . 1 . . . . 215 . . . 6586 1 578 . 1 1 73 73 VAL C C 13 169.985 0.5 . 1 . . . . 215 . . . 6586 1 579 . 1 1 74 74 MET H H 1 7.662 0.02 . 1 . . . . 216 . . . 6586 1 580 . 1 1 74 74 MET N N 15 110.944 0.1 . 1 . . . . 216 . . . 6586 1 581 . 1 1 74 74 MET CA C 13 48.884 0.5 . 1 . . . . 216 . . . 6586 1 582 . 1 1 74 74 MET HA H 1 4.604 0.02 . 1 . . . . 216 . . . 6586 1 583 . 1 1 74 74 MET C C 13 171.256 0.5 . 1 . . . . 216 . . . 6586 1 584 . 1 1 74 74 MET CB C 13 21.617 0.5 . 1 . . . . 216 . . . 6586 1 585 . 1 1 74 74 MET HB2 H 1 2.153 0.02 . 2 . . . . 216 . . . 6586 1 586 . 1 1 75 75 GLN H H 1 8.678 0.02 . 1 . . . . 217 . . . 6586 1 587 . 1 1 75 75 GLN N N 15 113.949 0.1 . 1 . . . . 217 . . . 6586 1 588 . 1 1 75 75 GLN CA C 13 52.567 0.5 . 1 . . . . 217 . . . 6586 1 589 . 1 1 75 75 GLN HA H 1 3.979 0.02 . 1 . . . . 217 . . . 6586 1 590 . 1 1 75 75 GLN C C 13 172.222 0.5 . 1 . . . . 217 . . . 6586 1 591 . 1 1 75 75 GLN CB C 13 20.767 0.5 . 1 . . . . 217 . . . 6586 1 592 . 1 1 75 75 GLN HB2 H 1 2.152 0.02 . 1 . . . . 217 . . . 6586 1 593 . 1 1 75 75 GLN HB3 H 1 2.099 0.02 . 1 . . . . 217 . . . 6586 1 594 . 1 1 76 76 PHE H H 1 9.091 0.02 . 1 . . . . 218 . . . 6586 1 595 . 1 1 76 76 PHE N N 15 116.201 0.1 . 1 . . . . 218 . . . 6586 1 596 . 1 1 76 76 PHE CA C 13 54.762 0.5 . 1 . . . . 218 . . . 6586 1 597 . 1 1 76 76 PHE HA H 1 4.069 0.02 . 1 . . . . 218 . . . 6586 1 598 . 1 1 76 76 PHE C C 13 172.955 0.5 . 1 . . . . 218 . . . 6586 1 599 . 1 1 76 76 PHE CB C 13 31.532 0.5 . 1 . . . . 218 . . . 6586 1 600 . 1 1 76 76 PHE HB2 H 1 2.180 0.02 . 2 . . . . 218 . . . 6586 1 601 . 1 1 77 77 ILE H H 1 7.872 0.02 . 1 . . . . 219 . . . 6586 1 602 . 1 1 77 77 ILE N N 15 117.561 0.1 . 1 . . . . 219 . . . 6586 1 603 . 1 1 77 77 ILE CA C 13 52.637 0.5 . 1 . . . . 219 . . . 6586 1 604 . 1 1 77 77 ILE HA H 1 3.410 0.02 . 1 . . . . 219 . . . 6586 1 605 . 1 1 77 77 ILE C C 13 172.415 0.5 . 1 . . . . 219 . . . 6586 1 606 . 1 1 77 77 ILE CB C 13 22.113 0.5 . 1 . . . . 219 . . . 6586 1 607 . 1 1 78 78 LEU H H 1 8.150 0.02 . 1 . . . . 220 . . . 6586 1 608 . 1 1 78 78 LEU N N 15 114.443 0.1 . 1 . . . . 220 . . . 6586 1 609 . 1 1 78 78 LEU C C 13 170.049 0.5 . 1 . . . . 220 . . . 6586 1 610 . 1 1 79 79 GLU H H 1 8.449 0.02 . 1 . . . . 221 . . . 6586 1 611 . 1 1 79 79 GLU N N 15 115.462 0.1 . 1 . . . . 221 . . . 6586 1 612 . 1 1 79 79 GLU CA C 13 51.775 0.5 . 1 . . . . 221 . . . 6586 1 613 . 1 1 79 79 GLU HA H 1 4.186 0.02 . 1 . . . . 221 . . . 6586 1 614 . 1 1 79 79 GLU C C 13 172.608 0.5 . 1 . . . . 221 . . . 6586 1 615 . 1 1 79 79 GLU CB C 13 21.758 0.5 . 1 . . . . 221 . . . 6586 1 616 . 1 1 79 79 GLU HB2 H 1 1.927 0.02 . 2 . . . . 221 . . . 6586 1 617 . 1 1 80 80 LEU H H 1 8.136 0.02 . 1 . . . . 222 . . . 6586 1 618 . 1 1 80 80 LEU N N 15 119.771 0.1 . 1 . . . . 222 . . . 6586 1 619 . 1 1 80 80 LEU CA C 13 50.725 0.5 . 1 . . . . 222 . . . 6586 1 620 . 1 1 80 80 LEU HA H 1 4.481 0.02 . 1 . . . . 222 . . . 6586 1 621 . 1 1 80 80 LEU C C 13 172.367 0.5 . 1 . . . . 222 . . . 6586 1 622 . 1 1 80 80 LEU CB C 13 33.657 0.5 . 1 . . . . 222 . . . 6586 1 623 . 1 1 80 80 LEU HB2 H 1 2.957 0.02 . 1 . . . . 222 . . . 6586 1 624 . 1 1 80 80 LEU HB3 H 1 2.732 0.02 . 1 . . . . 222 . . . 6586 1 625 . 1 1 81 81 ALA H H 1 8.056 0.02 . 1 . . . . 223 . . . 6586 1 626 . 1 1 81 81 ALA N N 15 117.293 0.1 . 1 . . . . 223 . . . 6586 1 627 . 1 1 81 81 ALA CA C 13 48.388 0.5 . 1 . . . . 223 . . . 6586 1 628 . 1 1 81 81 ALA HA H 1 3.619 0.02 . 1 . . . . 223 . . . 6586 1 629 . 1 1 81 81 ALA C C 13 173.204 0.5 . 1 . . . . 223 . . . 6586 1 630 . 1 1 81 81 ALA CB C 13 10.852 0.5 . 1 . . . . 223 . . . 6586 1 631 . 1 1 82 82 LYS H H 1 7.665 0.02 . 1 . . . . 224 . . . 6586 1 632 . 1 1 82 82 LYS N N 15 112.382 0.1 . 1 . . . . 224 . . . 6586 1 633 . 1 1 82 82 LYS CA C 13 52.283 0.5 . 1 . . . . 224 . . . 6586 1 634 . 1 1 82 82 LYS HA H 1 4.114 0.02 . 1 . . . . 224 . . . 6586 1 635 . 1 1 82 82 LYS C C 13 173.493 0.5 . 1 . . . . 224 . . . 6586 1 636 . 1 1 82 82 LYS CB C 13 24.521 0.5 . 1 . . . . 224 . . . 6586 1 637 . 1 1 82 82 LYS HB2 H 1 1.933 0.02 . 2 . . . . 224 . . . 6586 1 638 . 1 1 83 83 SER H H 1 8.069 0.02 . 1 . . . . 225 . . . 6586 1 639 . 1 1 83 83 SER N N 15 111.715 0.1 . 1 . . . . 225 . . . 6586 1 640 . 1 1 83 83 SER CA C 13 54.266 0.5 . 1 . . . . 225 . . . 6586 1 641 . 1 1 83 83 SER HA H 1 4.245 0.02 . 1 . . . . 225 . . . 6586 1 642 . 1 1 83 83 SER C C 13 169.517 0.5 . 1 . . . . 225 . . . 6586 1 643 . 1 1 83 83 SER CB C 13 55.754 0.5 . 1 . . . . 225 . . . 6586 1 644 . 1 1 83 83 SER HB2 H 1 4.062 0.02 . 2 . . . . 225 . . . 6586 1 645 . 1 1 84 84 LEU H H 1 7.969 0.02 . 1 . . . . 226 . . . 6586 1 646 . 1 1 84 84 LEU N N 15 116.015 0.1 . 1 . . . . 226 . . . 6586 1 647 . 1 1 84 84 LEU CA C 13 48.317 0.5 . 1 . . . . 226 . . . 6586 1 648 . 1 1 84 84 LEU C C 13 169.727 0.5 . 1 . . . . 226 . . . 6586 1 649 . 1 1 84 84 LEU CB C 13 35.640 0.5 . 1 . . . . 226 . . . 6586 1 650 . 1 1 85 85 LYS H H 1 7.945 0.02 . 1 . . . . 227 . . . 6586 1 651 . 1 1 85 85 LYS N N 15 112.294 0.1 . 1 . . . . 227 . . . 6586 1 652 . 1 1 85 85 LYS CA C 13 50.017 0.5 . 1 . . . . 227 . . . 6586 1 653 . 1 1 85 85 LYS HA H 1 3.934 0.02 . 1 . . . . 227 . . . 6586 1 654 . 1 1 85 85 LYS C C 13 169.212 0.5 . 1 . . . . 227 . . . 6586 1 655 . 1 1 85 85 LYS CB C 13 21.192 0.5 . 1 . . . . 227 . . . 6586 1 656 . 1 1 85 85 LYS HB2 H 1 2.173 0.02 . 1 . . . . 227 . . . 6586 1 657 . 1 1 85 85 LYS HB3 H 1 1.896 0.02 . 1 . . . . 227 . . . 6586 1 658 . 1 1 86 86 VAL H H 1 7.755 0.02 . 1 . . . . 228 . . . 6586 1 659 . 1 1 86 86 VAL N N 15 107.968 0.1 . 1 . . . . 228 . . . 6586 1 660 . 1 1 86 86 VAL CA C 13 51.858 0.5 . 1 . . . . 228 . . . 6586 1 661 . 1 1 86 86 VAL HA H 1 4.620 0.02 . 1 . . . . 228 . . . 6586 1 662 . 1 1 86 86 VAL C C 13 167.779 0.5 . 1 . . . . 228 . . . 6586 1 663 . 1 1 86 86 VAL CB C 13 28.345 0.5 . 1 . . . . 228 . . . 6586 1 664 . 1 1 86 86 VAL HB H 1 2.088 0.02 . 1 . . . . 228 . . . 6586 1 665 . 1 1 86 86 VAL HG11 H 1 0.909 0.02 . 1 . . . . 228 . . . 6586 1 666 . 1 1 86 86 VAL HG12 H 1 0.909 0.02 . 1 . . . . 228 . . . 6586 1 667 . 1 1 86 86 VAL HG13 H 1 0.909 0.02 . 1 . . . . 228 . . . 6586 1 668 . 1 1 86 86 VAL HG21 H 1 1.087 0.02 . 1 . . . . 228 . . . 6586 1 669 . 1 1 86 86 VAL HG22 H 1 1.087 0.02 . 1 . . . . 228 . . . 6586 1 670 . 1 1 86 86 VAL HG23 H 1 1.087 0.02 . 1 . . . . 228 . . . 6586 1 671 . 1 1 87 87 ASP H H 1 8.216 0.02 . 1 . . . . 229 . . . 6586 1 672 . 1 1 87 87 ASP N N 15 118.388 0.1 . 1 . . . . 229 . . . 6586 1 673 . 1 1 87 87 ASP CA C 13 45.343 0.5 . 1 . . . . 229 . . . 6586 1 674 . 1 1 87 87 ASP CB C 13 35.073 0.5 . 1 . . . . 229 . . . 6586 1 675 . 1 1 89 89 ARG H H 1 8.982 0.02 . 1 . . . . 231 . . . 6586 1 676 . 1 1 89 89 ARG N N 15 111.681 0.1 . 1 . . . . 231 . . . 6586 1 677 . 1 1 89 89 ARG CA C 13 52.425 0.5 . 1 . . . . 231 . . . 6586 1 678 . 1 1 89 89 ARG HA H 1 4.073 0.02 . 1 . . . . 231 . . . 6586 1 679 . 1 1 89 89 ARG C C 13 170.322 0.5 . 1 . . . . 231 . . . 6586 1 680 . 1 1 89 89 ARG CB C 13 21.971 0.5 . 1 . . . . 231 . . . 6586 1 681 . 1 1 89 89 ARG HB2 H 1 1.911 0.02 . 2 . . . . 231 . . . 6586 1 682 . 1 1 89 89 ARG HG2 H 1 1.674 0.02 . 1 . . . . 231 . . . 6586 1 683 . 1 1 89 89 ARG HD2 H 1 3.192 0.02 . 4 . . . . 231 . . . 6586 1 684 . 1 1 90 90 ALA H H 1 8.246 0.02 . 1 . . . . 232 . . . 6586 1 685 . 1 1 90 90 ALA N N 15 114.010 0.1 . 1 . . . . 232 . . . 6586 1 686 . 1 1 90 90 ALA CA C 13 45.555 0.5 . 1 . . . . 232 . . . 6586 1 687 . 1 1 90 90 ALA HA H 1 4.556 0.02 . 1 . . . . 232 . . . 6586 1 688 . 1 1 90 90 ALA C C 13 172.431 0.5 . 1 . . . . 232 . . . 6586 1 689 . 1 1 90 90 ALA CB C 13 11.843 0.5 . 1 . . . . 232 . . . 6586 1 690 . 1 1 91 91 CYS H H 1 7.550 0.02 . 1 . . . . 233 . . . 6586 1 691 . 1 1 91 91 CYS N N 15 105.564 0.1 . 1 . . . . 233 . . . 6586 1 692 . 1 1 91 91 CYS CA C 13 50.725 0.5 . 1 . . . . 233 . . . 6586 1 693 . 1 1 91 91 CYS HA H 1 5.258 0.02 . 1 . . . . 233 . . . 6586 1 694 . 1 1 91 91 CYS C C 13 169.920 0.5 . 1 . . . . 233 . . . 6586 1 695 . 1 1 91 91 CYS CB C 13 23.104 0.5 . 1 . . . . 233 . . . 6586 1 696 . 1 1 91 91 CYS HB2 H 1 3.065 0.02 . 1 . . . . 233 . . . 6586 1 697 . 1 1 91 91 CYS HB3 H 1 2.566 0.02 . 1 . . . . 233 . . . 6586 1 698 . 1 1 92 92 PHE H H 1 7.763 0.02 . 1 . . . . 234 . . . 6586 1 699 . 1 1 92 92 PHE N N 15 117.178 0.1 . 1 . . . . 234 . . . 6586 1 700 . 1 1 92 92 PHE CA C 13 54.054 0.5 . 1 . . . . 234 . . . 6586 1 701 . 1 1 92 92 PHE HA H 1 4.474 0.02 . 1 . . . . 234 . . . 6586 1 702 . 1 1 92 92 PHE C C 13 169.855 0.5 . 1 . . . . 234 . . . 6586 1 703 . 1 1 92 92 PHE CB C 13 31.320 0.5 . 1 . . . . 234 . . . 6586 1 704 . 1 1 92 92 PHE HB2 H 1 3.215 0.02 . 2 . . . . 234 . . . 6586 1 705 . 1 1 93 93 ARG H H 1 7.664 0.02 . 1 . . . . 235 . . . 6586 1 706 . 1 1 93 93 ARG N N 15 115.759 0.1 . 1 . . . . 235 . . . 6586 1 707 . 1 1 93 93 ARG CA C 13 52.708 0.5 . 1 . . . . 235 . . . 6586 1 708 . 1 1 93 93 ARG HA H 1 3.988 0.02 . 1 . . . . 235 . . . 6586 1 709 . 1 1 93 93 ARG C C 13 172.109 0.5 . 1 . . . . 235 . . . 6586 1 710 . 1 1 93 93 ARG CB C 13 21.334 0.5 . 1 . . . . 235 . . . 6586 1 711 . 1 1 93 93 ARG HB2 H 1 1.874 0.02 . 2 . . . . 235 . . . 6586 1 712 . 1 1 93 93 ARG HD2 H 1 3.203 0.02 . 4 . . . . 235 . . . 6586 1 713 . 1 1 94 94 GLN H H 1 7.951 0.02 . 1 . . . . 236 . . . 6586 1 714 . 1 1 94 94 GLN N N 15 113.009 0.1 . 1 . . . . 236 . . . 6586 1 715 . 1 1 94 94 GLN CA C 13 51.504 0.5 . 1 . . . . 236 . . . 6586 1 716 . 1 1 94 94 GLN HA H 1 4.032 0.02 . 1 . . . . 236 . . . 6586 1 717 . 1 1 94 94 GLN C C 13 172.334 0.5 . 1 . . . . 236 . . . 6586 1 718 . 1 1 94 94 GLN CB C 13 20.484 0.5 . 1 . . . . 236 . . . 6586 1 719 . 1 1 94 94 GLN HB2 H 1 2.180 0.02 . 1 . . . . 236 . . . 6586 1 720 . 1 1 94 94 GLN HB3 H 1 2.106 0.02 . 1 . . . . 236 . . . 6586 1 721 . 1 1 95 95 PHE H H 1 7.353 0.02 . 1 . . . . 237 . . . 6586 1 722 . 1 1 95 95 PHE N N 15 114.108 0.1 . 1 . . . . 237 . . . 6586 1 723 . 1 1 95 95 PHE CA C 13 54.196 0.5 . 1 . . . . 237 . . . 6586 1 724 . 1 1 95 95 PHE HA H 1 4.017 0.02 . 1 . . . . 237 . . . 6586 1 725 . 1 1 95 95 PHE C C 13 168.439 0.5 . 1 . . . . 237 . . . 6586 1 726 . 1 1 95 95 PHE CB C 13 31.674 0.5 . 1 . . . . 237 . . . 6586 1 727 . 1 1 95 95 PHE HB2 H 1 2.945 0.02 . 2 . . . . 237 . . . 6586 1 728 . 1 1 96 96 PHE H H 1 6.899 0.02 . 1 . . . . 238 . . . 6586 1 729 . 1 1 96 96 PHE N N 15 111.272 0.1 . 1 . . . . 238 . . . 6586 1 730 . 1 1 96 96 PHE CA C 13 54.620 0.5 . 1 . . . . 238 . . . 6586 1 731 . 1 1 96 96 PHE HA H 1 3.582 0.02 . 1 . . . . 238 . . . 6586 1 732 . 1 1 96 96 PHE C C 13 171.256 0.5 . 1 . . . . 238 . . . 6586 1 733 . 1 1 96 96 PHE CB C 13 30.753 0.5 . 1 . . . . 238 . . . 6586 1 734 . 1 1 96 96 PHE HB2 H 1 3.170 0.02 . 2 . . . . 238 . . . 6586 1 735 . 1 1 97 97 THR H H 1 8.069 0.02 . 1 . . . . 239 . . . 6586 1 736 . 1 1 97 97 THR N N 15 111.336 0.1 . 1 . . . . 239 . . . 6586 1 737 . 1 1 97 97 THR CA C 13 59.224 0.5 . 1 . . . . 239 . . . 6586 1 738 . 1 1 97 97 THR HA H 1 4.062 0.02 . 1 . . . . 239 . . . 6586 1 739 . 1 1 97 97 THR C C 13 169.582 0.5 . 1 . . . . 239 . . . 6586 1 740 . 1 1 97 97 THR CB C 13 61.349 0.5 . 1 . . . . 239 . . . 6586 1 741 . 1 1 97 97 THR HB H 1 3.814 0.02 . 1 . . . . 239 . . . 6586 1 742 . 1 1 98 98 LYS H H 1 7.468 0.02 . 1 . . . . 240 . . . 6586 1 743 . 1 1 98 98 LYS N N 15 117.711 0.1 . 1 . . . . 240 . . . 6586 1 744 . 1 1 98 98 LYS CA C 13 52.142 0.5 . 1 . . . . 240 . . . 6586 1 745 . 1 1 98 98 LYS HA H 1 3.732 0.02 . 1 . . . . 240 . . . 6586 1 746 . 1 1 98 98 LYS C C 13 172.479 0.5 . 1 . . . . 240 . . . 6586 1 747 . 1 1 98 98 LYS CB C 13 24.096 0.5 . 1 . . . . 240 . . . 6586 1 748 . 1 1 98 98 LYS HB2 H 1 1.521 0.02 . 2 . . . . 240 . . . 6586 1 749 . 1 1 98 98 LYS HG2 H 1 1.087 0.02 . 1 . . . . 240 . . . 6586 1 750 . 1 1 98 98 LYS HD2 H 1 1.215 0.02 . 4 . . . . 240 . . . 6586 1 751 . 1 1 99 99 ILE H H 1 7.510 0.02 . 1 . . . . 241 . . . 6586 1 752 . 1 1 99 99 ILE N N 15 114.326 0.1 . 1 . . . . 241 . . . 6586 1 753 . 1 1 99 99 ILE CA C 13 54.550 0.5 . 1 . . . . 241 . . . 6586 1 754 . 1 1 99 99 ILE C C 13 170.805 0.5 . 1 . . . . 241 . . . 6586 1 755 . 1 1 99 99 ILE CB C 13 28.557 0.5 . 1 . . . . 241 . . . 6586 1 756 . 1 1 100 100 LYS H H 1 7.182 0.02 . 1 . . . . 242 . . . 6586 1 757 . 1 1 100 100 LYS N N 15 114.673 0.1 . 1 . . . . 242 . . . 6586 1 758 . 1 1 100 100 LYS CA C 13 51.150 0.5 . 1 . . . . 242 . . . 6586 1 759 . 1 1 100 100 LYS HA H 1 3.942 0.02 . 1 . . . . 242 . . . 6586 1 760 . 1 1 100 100 LYS C C 13 171.224 0.5 . 1 . . . . 242 . . . 6586 1 761 . 1 1 100 100 LYS CB C 13 24.804 0.5 . 1 . . . . 242 . . . 6586 1 762 . 1 1 100 100 LYS HB2 H 1 1.888 0.02 . 1 . . . . 242 . . . 6586 1 763 . 1 1 100 100 LYS HB3 H 1 1.776 0.02 . 1 . . . . 242 . . . 6586 1 764 . 1 1 101 101 THR H H 1 7.239 0.02 . 1 . . . . 243 . . . 6586 1 765 . 1 1 101 101 THR N N 15 104.792 0.1 . 1 . . . . 243 . . . 6586 1 766 . 1 1 101 101 THR CA C 13 55.258 0.5 . 1 . . . . 243 . . . 6586 1 767 . 1 1 101 101 THR HA H 1 4.395 0.02 . 1 . . . . 243 . . . 6586 1 768 . 1 1 101 101 THR C C 13 167.924 0.5 . 1 . . . . 243 . . . 6586 1 769 . 1 1 101 101 THR CB C 13 62.694 0.5 . 1 . . . . 243 . . . 6586 1 770 . 1 1 101 101 THR HB H 1 4.277 0.02 . 1 . . . . 243 . . . 6586 1 771 . 1 1 102 102 ALA H H 1 7.657 0.02 . 1 . . . . 244 . . . 6586 1 772 . 1 1 102 102 ALA N N 15 119.081 0.1 . 1 . . . . 244 . . . 6586 1 773 . 1 1 102 102 ALA CA C 13 45.980 0.5 . 1 . . . . 244 . . . 6586 1 774 . 1 1 102 102 ALA HA H 1 4.041 0.02 . 1 . . . . 244 . . . 6586 1 775 . 1 1 102 102 ALA C C 13 170.499 0.5 . 1 . . . . 244 . . . 6586 1 776 . 1 1 102 102 ALA CB C 13 10.781 0.5 . 1 . . . . 244 . . . 6586 1 777 . 1 1 103 103 ASP H H 1 7.876 0.02 . 1 . . . . 245 . . . 6586 1 778 . 1 1 103 103 ASP N N 15 114.351 0.1 . 1 . . . . 245 . . . 6586 1 779 . 1 1 103 103 ASP CA C 13 46.901 0.5 . 1 . . . . 245 . . . 6586 1 780 . 1 1 103 103 ASP HA H 1 4.523 0.02 . 1 . . . . 245 . . . 6586 1 781 . 1 1 103 103 ASP C C 13 170.065 0.5 . 1 . . . . 245 . . . 6586 1 782 . 1 1 103 103 ASP CB C 13 34.223 0.5 . 1 . . . . 245 . . . 6586 1 783 . 1 1 103 103 ASP HB2 H 1 2.727 0.02 . 1 . . . . 245 . . . 6586 1 784 . 1 1 103 103 ASP HB3 H 1 2.786 0.02 . 1 . . . . 245 . . . 6586 1 785 . 1 1 104 104 ARG H H 1 8.470 0.02 . 1 . . . . 246 . . . 6586 1 786 . 1 1 104 104 ARG N N 15 118.574 0.1 . 1 . . . . 246 . . . 6586 1 787 . 1 1 104 104 ARG CA C 13 52.070 0.5 . 1 . . . . 246 . . . 6586 1 788 . 1 1 104 104 ARG HA H 1 4.073 0.02 . 1 . . . . 246 . . . 6586 1 789 . 1 1 104 104 ARG C C 13 171.465 0.5 . 1 . . . . 246 . . . 6586 1 790 . 1 1 104 104 ARG CB C 13 22.113 0.5 . 1 . . . . 246 . . . 6586 1 791 . 1 1 104 104 ARG HB2 H 1 1.954 0.02 . 2 . . . . 246 . . . 6586 1 792 . 1 1 104 104 ARG HD2 H 1 3.254 0.02 . 4 . . . . 246 . . . 6586 1 793 . 1 1 105 105 GLN H H 1 8.325 0.02 . 1 . . . . 247 . . . 6586 1 794 . 1 1 105 105 GLN N N 15 113.851 0.1 . 1 . . . . 247 . . . 6586 1 795 . 1 1 105 105 GLN CA C 13 52.212 0.5 . 1 . . . . 247 . . . 6586 1 796 . 1 1 105 105 GLN HA H 1 4.148 0.02 . 1 . . . . 247 . . . 6586 1 797 . 1 1 105 105 GLN C C 13 168.085 0.5 . 1 . . . . 247 . . . 6586 1 798 . 1 1 105 105 GLN CB C 13 20.625 0.5 . 1 . . . . 247 . . . 6586 1 799 . 1 1 105 105 GLN HB2 H 1 2.158 0.02 . 1 . . . . 247 . . . 6586 1 800 . 1 1 105 105 GLN HB3 H 1 2.222 0.02 . 1 . . . . 247 . . . 6586 1 801 . 1 1 106 106 TYR H H 1 8.353 0.02 . 1 . . . . 248 . . . 6586 1 802 . 1 1 106 106 TYR N N 15 118.515 0.1 . 1 . . . . 248 . . . 6586 1 803 . 1 1 106 106 TYR CA C 13 54.479 0.5 . 1 . . . . 248 . . . 6586 1 804 . 1 1 106 106 TYR HA H 1 4.325 0.02 . 1 . . . . 248 . . . 6586 1 805 . 1 1 106 106 TYR C C 13 172.173 0.5 . 1 . . . . 248 . . . 6586 1 806 . 1 1 106 106 TYR CB C 13 30.965 0.5 . 1 . . . . 248 . . . 6586 1 807 . 1 1 106 106 TYR HB2 H 1 3.166 0.02 . 1 . . . . 248 . . . 6586 1 808 . 1 1 106 106 TYR HB3 H 1 2.920 0.02 . 1 . . . . 248 . . . 6586 1 809 . 1 1 107 107 MET H H 1 8.150 0.02 . 1 . . . . 249 . . . 6586 1 810 . 1 1 107 107 MET N N 15 112.922 0.1 . 1 . . . . 249 . . . 6586 1 811 . 1 1 107 107 MET CA C 13 49.946 0.5 . 1 . . . . 249 . . . 6586 1 812 . 1 1 107 107 MET HA H 1 4.352 0.02 . 1 . . . . 249 . . . 6586 1 813 . 1 1 107 107 MET C C 13 172.061 0.5 . 1 . . . . 249 . . . 6586 1 814 . 1 1 107 107 MET CB C 13 23.387 0.5 . 1 . . . . 249 . . . 6586 1 815 . 1 1 107 107 MET HB2 H 1 2.163 0.02 . 1 . . . . 249 . . . 6586 1 816 . 1 1 107 107 MET HB3 H 1 1.729 0.02 . 1 . . . . 249 . . . 6586 1 817 . 1 1 108 108 GLU H H 1 8.547 0.02 . 1 . . . . 250 . . . 6586 1 818 . 1 1 108 108 GLU N N 15 115.879 0.1 . 1 . . . . 250 . . . 6586 1 819 . 1 1 108 108 GLU CA C 13 52.496 0.5 . 1 . . . . 250 . . . 6586 1 820 . 1 1 108 108 GLU HA H 1 4.174 0.02 . 1 . . . . 250 . . . 6586 1 821 . 1 1 108 108 GLU C C 13 172.447 0.5 . 1 . . . . 250 . . . 6586 1 822 . 1 1 108 108 GLU CB C 13 21.263 0.5 . 1 . . . . 250 . . . 6586 1 823 . 1 1 108 108 GLU HB2 H 1 2.195 0.02 . 1 . . . . 250 . . . 6586 1 824 . 1 1 108 108 GLU HB3 H 1 2.136 0.02 . 1 . . . . 250 . . . 6586 1 825 . 1 1 109 109 GLY H H 1 7.880 0.02 . 1 . . . . 251 . . . 6586 1 826 . 1 1 109 109 GLY N N 15 102.209 0.1 . 1 . . . . 251 . . . 6586 1 827 . 1 1 109 109 GLY CA C 13 40.173 0.5 . 1 . . . . 251 . . . 6586 1 828 . 1 1 109 109 GLY C C 13 169.952 0.5 . 1 . . . . 251 . . . 6586 1 829 . 1 1 110 110 PHE H H 1 7.867 0.02 . 1 . . . . 252 . . . 6586 1 830 . 1 1 110 110 PHE N N 15 119.464 0.1 . 1 . . . . 252 . . . 6586 1 831 . 1 1 110 110 PHE CA C 13 54.762 0.5 . 1 . . . . 252 . . . 6586 1 832 . 1 1 110 110 PHE HA H 1 3.810 0.02 . 1 . . . . 252 . . . 6586 1 833 . 1 1 110 110 PHE C C 13 169.662 0.5 . 1 . . . . 252 . . . 6586 1 834 . 1 1 110 110 PHE CB C 13 30.965 0.5 . 1 . . . . 252 . . . 6586 1 835 . 1 1 110 110 PHE HB2 H 1 3.334 0.02 . 2 . . . . 252 . . . 6586 1 836 . 1 1 111 111 ASN H H 1 8.571 0.02 . 1 . . . . 253 . . . 6586 1 837 . 1 1 111 111 ASN N N 15 113.787 0.1 . 1 . . . . 253 . . . 6586 1 838 . 1 1 111 111 ASN CA C 13 49.380 0.5 . 1 . . . . 253 . . . 6586 1 839 . 1 1 111 111 ASN HA H 1 4.481 0.02 . 1 . . . . 253 . . . 6586 1 840 . 1 1 111 111 ASN C C 13 171.707 0.5 . 1 . . . . 253 . . . 6586 1 841 . 1 1 111 111 ASN CB C 13 30.753 0.5 . 1 . . . . 253 . . . 6586 1 842 . 1 1 111 111 ASN HB2 H 1 3.022 0.02 . 1 . . . . 253 . . . 6586 1 843 . 1 1 111 111 ASN HB3 H 1 2.984 0.02 . 1 . . . . 253 . . . 6586 1 844 . 1 1 112 112 ASP H H 1 8.845 0.02 . 1 . . . . 254 . . . 6586 1 845 . 1 1 112 112 ASP N N 15 116.939 0.1 . 1 . . . . 254 . . . 6586 1 846 . 1 1 112 112 ASP CA C 13 50.229 0.5 . 1 . . . . 254 . . . 6586 1 847 . 1 1 112 112 ASP HA H 1 4.481 0.02 . 1 . . . . 254 . . . 6586 1 848 . 1 1 112 112 ASP C C 13 172.994 0.5 . 1 . . . . 254 . . . 6586 1 849 . 1 1 112 112 ASP CB C 13 32.453 0.5 . 1 . . . . 254 . . . 6586 1 850 . 1 1 112 112 ASP HB2 H 1 2.728 0.02 . 2 . . . . 254 . . . 6586 1 851 . 1 1 113 113 GLU H H 1 8.056 0.02 . 1 . . . . 255 . . . 6586 1 852 . 1 1 113 113 GLU N N 15 117.293 0.1 . 1 . . . . 255 . . . 6586 1 853 . 1 1 113 113 GLU CA C 13 51.504 0.5 . 1 . . . . 255 . . . 6586 1 854 . 1 1 113 113 GLU HA H 1 4.271 0.02 . 1 . . . . 255 . . . 6586 1 855 . 1 1 113 113 GLU C C 13 172.270 0.5 . 1 . . . . 255 . . . 6586 1 856 . 1 1 113 113 GLU CB C 13 20.767 0.5 . 1 . . . . 255 . . . 6586 1 857 . 1 1 113 113 GLU HB2 H 1 2.217 0.02 . 1 . . . . 255 . . . 6586 1 858 . 1 1 113 113 GLU HB3 H 1 2.029 0.02 . 1 . . . . 255 . . . 6586 1 859 . 1 1 113 113 GLU HG2 H 1 2.521 0.02 . 1 . . . . 255 . . . 6586 1 860 . 1 1 113 113 GLU HG3 H 1 2.363 0.02 . 1 . . . . 255 . . . 6586 1 861 . 1 1 114 114 LEU H H 1 8.414 0.02 . 1 . . . . 256 . . . 6586 1 862 . 1 1 114 114 LEU N N 15 117.837 0.1 . 1 . . . . 256 . . . 6586 1 863 . 1 1 114 114 LEU CA C 13 51.363 0.5 . 1 . . . . 256 . . . 6586 1 864 . 1 1 114 114 LEU HA H 1 4.073 0.02 . 1 . . . . 256 . . . 6586 1 865 . 1 1 114 114 LEU C C 13 171.658 0.5 . 1 . . . . 256 . . . 6586 1 866 . 1 1 114 114 LEU CB C 13 33.657 0.5 . 1 . . . . 256 . . . 6586 1 867 . 1 1 114 114 LEU HB2 H 1 1.997 0.02 . 1 . . . . 256 . . . 6586 1 868 . 1 1 114 114 LEU HB3 H 1 1.949 0.02 . 1 . . . . 256 . . . 6586 1 869 . 1 1 115 115 GLU H H 1 8.374 0.02 . 1 . . . . 257 . . . 6586 1 870 . 1 1 115 115 GLU N N 15 114.114 0.1 . 1 . . . . 257 . . . 6586 1 871 . 1 1 115 115 GLU CA C 13 52.142 0.5 . 1 . . . . 257 . . . 6586 1 872 . 1 1 115 115 GLU HA H 1 4.030 0.02 . 1 . . . . 257 . . . 6586 1 873 . 1 1 115 115 GLU C C 13 172.898 0.5 . 1 . . . . 257 . . . 6586 1 874 . 1 1 115 115 GLU CB C 13 21.192 0.5 . 1 . . . . 257 . . . 6586 1 875 . 1 1 115 115 GLU HB2 H 1 2.153 0.02 . 1 . . . . 257 . . . 6586 1 876 . 1 1 115 115 GLU HB3 H 1 2.196 0.02 . 1 . . . . 257 . . . 6586 1 877 . 1 1 116 116 ALA H H 1 8.052 0.02 . 1 . . . . 258 . . . 6586 1 878 . 1 1 116 116 ALA N N 15 117.900 0.1 . 1 . . . . 258 . . . 6586 1 879 . 1 1 116 116 ALA CA C 13 47.892 0.5 . 1 . . . . 258 . . . 6586 1 880 . 1 1 116 116 ALA HA H 1 4.180 0.02 . 1 . . . . 258 . . . 6586 1 881 . 1 1 116 116 ALA C C 13 174.105 0.5 . 1 . . . . 258 . . . 6586 1 882 . 1 1 116 116 ALA CB C 13 10.356 0.5 . 1 . . . . 258 . . . 6586 1 883 . 1 1 117 117 PHE H H 1 8.831 0.02 . 1 . . . . 259 . . . 6586 1 884 . 1 1 117 117 PHE N N 15 116.276 0.1 . 1 . . . . 259 . . . 6586 1 885 . 1 1 117 117 PHE CA C 13 54.052 0.5 . 1 . . . . 259 . . . 6586 1 886 . 1 1 117 117 PHE HA H 1 4.100 0.02 . 1 . . . . 259 . . . 6586 1 887 . 1 1 117 117 PHE C C 13 170.515 0.5 . 1 . . . . 259 . . . 6586 1 888 . 1 1 117 117 PHE CB C 13 31.974 0.5 . 1 . . . . 259 . . . 6586 1 889 . 1 1 117 117 PHE HB2 H 1 1.955 0.02 . 2 . . . . 259 . . . 6586 1 890 . 1 1 118 118 LYS H H 1 8.255 0.02 . 1 . . . . 260 . . . 6586 1 891 . 1 1 118 118 LYS N N 15 113.991 0.1 . 1 . . . . 260 . . . 6586 1 892 . 1 1 118 118 LYS CA C 13 53.912 0.5 . 1 . . . . 260 . . . 6586 1 893 . 1 1 118 118 LYS HA H 1 3.440 0.02 . 1 . . . . 260 . . . 6586 1 894 . 1 1 118 118 LYS C C 13 171.755 0.5 . 1 . . . . 260 . . . 6586 1 895 . 1 1 118 118 LYS CB C 13 23.954 0.5 . 1 . . . . 260 . . . 6586 1 896 . 1 1 119 119 GLU H H 1 7.518 0.02 . 1 . . . . 261 . . . 6586 1 897 . 1 1 119 119 GLU N N 15 112.864 0.1 . 1 . . . . 261 . . . 6586 1 898 . 1 1 119 119 GLU CA C 13 52.212 0.5 . 1 . . . . 261 . . . 6586 1 899 . 1 1 119 119 GLU HA H 1 4.051 0.02 . 1 . . . . 261 . . . 6586 1 900 . 1 1 119 119 GLU C C 13 172.946 0.5 . 1 . . . . 261 . . . 6586 1 901 . 1 1 119 119 GLU CB C 13 21.334 0.5 . 1 . . . . 261 . . . 6586 1 902 . 1 1 119 119 GLU HB2 H 1 2.158 0.02 . 1 . . . . 261 . . . 6586 1 903 . 1 1 119 119 GLU HB3 H 1 2.104 0.02 . 1 . . . . 261 . . . 6586 1 904 . 1 1 120 120 ARG H H 1 7.872 0.02 . 1 . . . . 262 . . . 6586 1 905 . 1 1 120 120 ARG N N 15 117.561 0.1 . 1 . . . . 262 . . . 6586 1 906 . 1 1 120 120 ARG CA C 13 52.637 0.5 . 1 . . . . 262 . . . 6586 1 907 . 1 1 120 120 ARG HA H 1 4.084 0.02 . 1 . . . . 262 . . . 6586 1 908 . 1 1 120 120 ARG C C 13 173.349 0.5 . 1 . . . . 262 . . . 6586 1 909 . 1 1 120 120 ARG CB C 13 22.183 0.5 . 1 . . . . 262 . . . 6586 1 910 . 1 1 120 120 ARG HB2 H 1 2.630 0.02 . 2 . . . . 262 . . . 6586 1 911 . 1 1 121 121 VAL H H 1 8.331 0.02 . 1 . . . . 263 . . . 6586 1 912 . 1 1 121 121 VAL N N 15 117.109 0.1 . 1 . . . . 263 . . . 6586 1 913 . 1 1 121 121 VAL CA C 13 59.861 0.5 . 1 . . . . 263 . . . 6586 1 914 . 1 1 121 121 VAL C C 13 171.256 0.5 . 1 . . . . 263 . . . 6586 1 915 . 1 1 121 121 VAL CB C 13 23.458 0.5 . 1 . . . . 263 . . . 6586 1 916 . 1 1 122 122 ARG H H 1 8.087 0.02 . 1 . . . . 264 . . . 6586 1 917 . 1 1 122 122 ARG N N 15 114.012 0.1 . 1 . . . . 264 . . . 6586 1 918 . 1 1 122 122 ARG CA C 13 53.558 0.5 . 1 . . . . 264 . . . 6586 1 919 . 1 1 122 122 ARG C C 13 172.978 0.5 . 1 . . . . 264 . . . 6586 1 920 . 1 1 122 122 ARG CB C 13 21.900 0.5 . 1 . . . . 264 . . . 6586 1 921 . 1 1 123 123 GLY H H 1 7.998 0.02 . 1 . . . . 265 . . . 6586 1 922 . 1 1 123 123 GLY N N 15 101.708 0.1 . 1 . . . . 265 . . . 6586 1 923 . 1 1 123 123 GLY CA C 13 39.960 0.5 . 1 . . . . 265 . . . 6586 1 924 . 1 1 123 123 GLY C C 13 170.097 0.5 . 1 . . . . 265 . . . 6586 1 925 . 1 1 124 124 ARG H H 1 8.169 0.02 . 1 . . . . 266 . . . 6586 1 926 . 1 1 124 124 ARG N N 15 117.640 0.1 . 1 . . . . 266 . . . 6586 1 927 . 1 1 124 124 ARG CA C 13 51.292 0.5 . 1 . . . . 266 . . . 6586 1 928 . 1 1 124 124 ARG C C 13 172.955 0.5 . 1 . . . . 266 . . . 6586 1 929 . 1 1 124 124 ARG CB C 13 22.113 0.5 . 1 . . . . 266 . . . 6586 1 930 . 1 1 125 125 ALA H H 1 8.636 0.02 . 1 . . . . 267 . . . 6586 1 931 . 1 1 125 125 ALA N N 15 118.572 0.1 . 1 . . . . 267 . . . 6586 1 932 . 1 1 125 125 ALA CA C 13 47.792 0.5 . 1 . . . . 267 . . . 6586 1 933 . 1 1 125 125 ALA C C 13 172.077 0.5 . 1 . . . . 267 . . . 6586 1 934 . 1 1 125 125 ALA CB C 13 11.572 0.5 . 1 . . . . 267 . . . 6586 1 935 . 1 1 126 126 LYS H H 1 7.598 0.02 . 1 . . . . 268 . . . 6586 1 936 . 1 1 126 126 LYS N N 15 112.395 0.1 . 1 . . . . 268 . . . 6586 1 937 . 1 1 126 126 LYS CA C 13 52.071 0.5 . 1 . . . . 268 . . . 6586 1 938 . 1 1 126 126 LYS C C 13 171.900 0.5 . 1 . . . . 268 . . . 6586 1 939 . 1 1 126 126 LYS CB C 13 24.521 0.5 . 1 . . . . 268 . . . 6586 1 940 . 1 1 127 127 LEU H H 1 7.316 0.02 . 1 . . . . 269 . . . 6586 1 941 . 1 1 127 127 LEU N N 15 113.326 0.1 . 1 . . . . 269 . . . 6586 1 942 . 1 1 127 127 LEU CA C 13 49.946 0.5 . 1 . . . . 269 . . . 6586 1 943 . 1 1 127 127 LEU HA H 1 4.245 0.02 . 1 . . . . 269 . . . 6586 1 944 . 1 1 127 127 LEU C C 13 172.222 0.5 . 1 . . . . 269 . . . 6586 1 945 . 1 1 127 127 LEU CB C 13 34.223 0.5 . 1 . . . . 269 . . . 6586 1 946 . 1 1 127 127 LEU HB2 H 1 1.939 0.02 . 2 . . . . 269 . . . 6586 1 947 . 1 1 128 128 ARG H H 1 7.590 0.02 . 1 . . . . 270 . . . 6586 1 948 . 1 1 128 128 ARG N N 15 114.390 0.1 . 1 . . . . 270 . . . 6586 1 949 . 1 1 128 128 ARG CA C 13 51.150 0.5 . 1 . . . . 270 . . . 6586 1 950 . 1 1 128 128 ARG C C 13 171.787 0.5 . 1 . . . . 270 . . . 6586 1 951 . 1 1 128 128 ARG CB C 13 22.679 0.5 . 1 . . . . 270 . . . 6586 1 952 . 1 1 129 129 ILE H H 1 7.893 0.02 . 1 . . . . 271 . . . 6586 1 953 . 1 1 129 129 ILE N N 15 115.080 0.1 . 1 . . . . 271 . . . 6586 1 954 . 1 1 129 129 ILE CA C 13 56.391 0.5 . 1 . . . . 271 . . . 6586 1 955 . 1 1 129 129 ILE HA H 1 3.987 0.02 . 1 . . . . 271 . . . 6586 1 956 . 1 1 129 129 ILE C C 13 171.175 0.5 . 1 . . . . 271 . . . 6586 1 957 . 1 1 129 129 ILE CB C 13 30.895 0.5 . 1 . . . . 271 . . . 6586 1 958 . 1 1 130 130 GLU H H 1 8.159 0.02 . 1 . . . . 272 . . . 6586 1 959 . 1 1 130 130 GLU N N 15 116.556 0.1 . 1 . . . . 272 . . . 6586 1 960 . 1 1 130 130 GLU CA C 13 51.008 0.5 . 1 . . . . 272 . . . 6586 1 961 . 1 1 130 130 GLU C C 13 171.159 0.5 . 1 . . . . 272 . . . 6586 1 962 . 1 1 130 130 GLU CB C 13 22.042 0.5 . 1 . . . . 272 . . . 6586 1 963 . 1 1 131 131 LYS H H 1 7.921 0.02 . 1 . . . . 273 . . . 6586 1 964 . 1 1 131 131 LYS N N 15 114.748 0.1 . 1 . . . . 273 . . . 6586 1 965 . 1 1 131 131 LYS CA C 13 49.805 0.5 . 1 . . . . 273 . . . 6586 1 966 . 1 1 131 131 LYS CB C 13 24.733 0.5 . 1 . . . . 273 . . . 6586 1 967 . 1 1 132 132 ALA H H 1 7.839 0.02 . 1 . . . . 274 . . . 6586 1 968 . 1 1 132 132 ALA N N 15 118.250 0.1 . 1 . . . . 274 . . . 6586 1 969 . 1 1 132 132 ALA CA C 13 45.555 0.5 . 1 . . . . 274 . . . 6586 1 970 . 1 1 132 132 ALA CB C 13 11.347 0.5 . 1 . . . . 274 . . . 6586 1 971 . 1 1 133 133 MET H H 1 7.849 0.02 . 1 . . . . 275 . . . 6586 1 972 . 1 1 133 133 MET N N 15 118.531 0.1 . 1 . . . . 275 . . . 6586 1 973 . 1 1 133 133 MET CA C 13 54.408 0.5 . 1 . . . . 275 . . . 6586 1 974 . 1 1 133 133 MET HA H 1 4.317 0.02 . 1 . . . . 275 . . . 6586 1 975 . 1 1 133 133 MET C C 13 168.681 0.5 . 1 . . . . 275 . . . 6586 1 976 . 1 1 133 133 MET CB C 13 21.404 0.5 . 1 . . . . 275 . . . 6586 1 977 . 1 1 134 134 LYS H H 1 7.744 0.02 . 1 . . . . 276 . . . 6586 1 978 . 1 1 134 134 LYS N N 15 122.659 0.1 . 1 . . . . 276 . . . 6586 1 979 . 1 1 134 134 LYS CA C 13 50.654 0.5 . 1 . . . . 276 . . . 6586 1 980 . 1 1 134 134 LYS CB C 13 25.725 0.5 . 1 . . . . 276 . . . 6586 1 stop_ save_