data_6287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6287 _Entry.Title ; Diversity in structure and function of the Ets family pointed domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-10 _Entry.Accession_date 2004-08-11 _Entry.Last_release_date 2004-09-01 _Entry.Original_release_date 2004-09-01 _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 Cameron Mackereth . D. . 6287 2 Manuela Schaerpf . . . 6287 3 Lisa Gentile . N. . 6287 4 Scott MacIntosh . E. . 6287 5 Carolin Slupsky . M. . 6287 6 Lisa Gentile . N. . 6287 7 Lawrence McIntosh . P. . 6287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 663 6287 '13C chemical shifts' 414 6287 '15N chemical shifts' 86 6287 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 . . 2004-09-01 2004-08-10 original author . 6287 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5401 'assignment and structure calculation for a different construct of the protein GABPa' 6287 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Diversity in structure and function of the Ets family pointed domains' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Cameron Mackereth . D. . 6287 1 2 Manuela Schaerpf . . . 6287 1 3 Lisa Gentile . N. . 6287 1 4 Scott MacIntosh . E. . 6287 1 5 Carolin Slupsky . M. . 6287 1 6 Lisa Gentile . N. . 6287 1 7 Lawrence McIntosh . P. . 6287 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'transcription factor' 6287 1 'SAM domain' 6287 1 'protein dynamics' 6287 1 'protein interactions' 6287 1 'unfolded states' 6287 1 Erg 6287 1 GABP 6287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GABPalpha_PNT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GABPalpha_PNT _Assembly.Entry_ID 6287 _Assembly.ID 1 _Assembly.Name 'GABPalpha pointed domain' _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 'Pointed domain' _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 6287 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 'GABPalpha pointed domain' 1 $GABPalpha_PNT . . . native . . . . . 6287 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SXD . . . . . . 6287 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GABPalpha pointed domain' system 6287 1 'GABPalpha PNT' abbreviation 6287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GABPalpha_PNT _Entity.Sf_category entity _Entity.Sf_framecode GABPalpha_PNT _Entity.Entry_ID 6287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GABPalpha pointed domain' _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 ; GSHMAALEGYRKEQERLGIP YDPIHWSTDQVLHWVVWVMK EFSMTDIDLTTLNISGRELC SLNQEDFFQRVPRGEILWSH LELLRKYVLAS ; _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 91 _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 10320 _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 BMRB 5401 . GABPalpha_PNT . . . . . 95.60 87 100.00 100.00 8.17e-57 . . . . 6287 1 2 no PDB 1SXD . "Solution Structure Of The Pointed (Pnt) Domain From Mgabpa" . . . . . 100.00 91 100.00 100.00 3.05e-60 . . . . 6287 1 3 no DBJ BAA02575 . "transcription factor E4TF1-60 [Homo sapiens]" . . . . . 95.60 454 98.85 98.85 4.98e-54 . . . . 6287 1 4 no DBJ BAD96884 . "GA binding protein transcription factor, alpha subunit (60kD) variant [Homo sapiens]" . . . . . 95.60 454 98.85 98.85 5.31e-54 . . . . 6287 1 5 no DBJ BAE24181 . "unnamed protein product [Mus musculus]" . . . . . 95.60 454 100.00 100.00 8.02e-55 . . . . 6287 1 6 no DBJ BAE26442 . "unnamed protein product [Mus musculus]" . . . . . 95.60 454 100.00 100.00 8.02e-55 . . . . 6287 1 7 no DBJ BAE26687 . "unnamed protein product [Mus musculus]" . . . . . 95.60 454 100.00 100.00 8.02e-55 . . . . 6287 1 8 no GB AAA53030 . "GA binding protein [Mus musculus]" . . . . . 95.60 454 98.85 98.85 9.68e-54 . . . . 6287 1 9 no GB AAA65706 . "nuclear respiratory factor-2 subunit alpha [Homo sapiens]" . . . . . 95.60 454 98.85 98.85 6.77e-54 . . . . 6287 1 10 no GB AAH13562 . "Gabpa protein [Mus musculus]" . . . . . 95.60 351 100.00 100.00 1.39e-55 . . . . 6287 1 11 no GB AAH35031 . "GA binding protein transcription factor, alpha subunit 60kDa [Homo sapiens]" . . . . . 95.60 454 98.85 98.85 5.42e-54 . . . . 6287 1 12 no GB AAH52448 . "GA repeat binding protein, alpha [Mus musculus]" . . . . . 95.60 454 100.00 100.00 8.02e-55 . . . . 6287 1 13 no REF NP_001068905 . "GA-binding protein alpha chain [Bos taurus]" . . . . . 95.60 454 97.70 98.85 3.22e-53 . . . . 6287 1 14 no REF NP_001102311 . "GA-binding protein alpha chain [Rattus norvegicus]" . . . . . 95.60 454 98.85 98.85 5.77e-54 . . . . 6287 1 15 no REF NP_001184226 . "GA-binding protein alpha chain [Homo sapiens]" . . . . . 95.60 454 98.85 98.85 4.98e-54 . . . . 6287 1 16 no REF NP_001253514 . "GA-binding protein alpha chain [Macaca mulatta]" . . . . . 95.60 454 98.85 98.85 6.15e-54 . . . . 6287 1 17 no REF NP_002031 . "GA-binding protein alpha chain [Homo sapiens]" . . . . . 95.60 454 98.85 98.85 4.98e-54 . . . . 6287 1 18 no SP Q00422 . "RecName: Full=GA-binding protein alpha chain; Short=GABP subunit alpha [Mus musculus]" . . . . . 95.60 454 100.00 100.00 8.02e-55 . . . . 6287 1 19 no SP Q06546 . "RecName: Full=GA-binding protein alpha chain; Short=GABP subunit alpha; AltName: Full=Nuclear respiratory factor 2 subunit alph" . . . . . 95.60 454 98.85 98.85 4.98e-54 . . . . 6287 1 20 no TPG DAA33658 . "TPA: GA binding protein transcription factor, alpha subunit 60kDa [Bos taurus]" . . . . . 95.60 454 97.70 98.85 3.22e-53 . . . . 6287 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GABPalpha pointed domain' common 6287 1 'GABPalpha PNT' abbreviation 6287 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 1 164 GLY . 6287 1 2 165 SER . 6287 1 3 166 HIS . 6287 1 4 167 MET . 6287 1 5 168 ALA . 6287 1 6 169 ALA . 6287 1 7 170 LEU . 6287 1 8 171 GLU . 6287 1 9 172 GLY . 6287 1 10 173 TYR . 6287 1 11 174 ARG . 6287 1 12 175 LYS . 6287 1 13 176 GLU . 6287 1 14 177 GLN . 6287 1 15 178 GLU . 6287 1 16 179 ARG . 6287 1 17 180 LEU . 6287 1 18 181 GLY . 6287 1 19 182 ILE . 6287 1 20 183 PRO . 6287 1 21 184 TYR . 6287 1 22 185 ASP . 6287 1 23 186 PRO . 6287 1 24 187 ILE . 6287 1 25 188 HIS . 6287 1 26 189 TRP . 6287 1 27 190 SER . 6287 1 28 191 THR . 6287 1 29 192 ASP . 6287 1 30 193 GLN . 6287 1 31 194 VAL . 6287 1 32 195 LEU . 6287 1 33 196 HIS . 6287 1 34 197 TRP . 6287 1 35 198 VAL . 6287 1 36 199 VAL . 6287 1 37 200 TRP . 6287 1 38 201 VAL . 6287 1 39 202 MET . 6287 1 40 203 LYS . 6287 1 41 204 GLU . 6287 1 42 205 PHE . 6287 1 43 206 SER . 6287 1 44 207 MET . 6287 1 45 208 THR . 6287 1 46 209 ASP . 6287 1 47 210 ILE . 6287 1 48 211 ASP . 6287 1 49 212 LEU . 6287 1 50 213 THR . 6287 1 51 214 THR . 6287 1 52 215 LEU . 6287 1 53 216 ASN . 6287 1 54 217 ILE . 6287 1 55 218 SER . 6287 1 56 219 GLY . 6287 1 57 220 ARG . 6287 1 58 221 GLU . 6287 1 59 222 LEU . 6287 1 60 223 CYS . 6287 1 61 224 SER . 6287 1 62 225 LEU . 6287 1 63 226 ASN . 6287 1 64 227 GLN . 6287 1 65 228 GLU . 6287 1 66 229 ASP . 6287 1 67 230 PHE . 6287 1 68 231 PHE . 6287 1 69 232 GLN . 6287 1 70 233 ARG . 6287 1 71 234 VAL . 6287 1 72 235 PRO . 6287 1 73 236 ARG . 6287 1 74 237 GLY . 6287 1 75 238 GLU . 6287 1 76 239 ILE . 6287 1 77 240 LEU . 6287 1 78 241 TRP . 6287 1 79 242 SER . 6287 1 80 243 HIS . 6287 1 81 244 LEU . 6287 1 82 245 GLU . 6287 1 83 246 LEU . 6287 1 84 247 LEU . 6287 1 85 248 ARG . 6287 1 86 249 LYS . 6287 1 87 250 TYR . 6287 1 88 251 VAL . 6287 1 89 252 LEU . 6287 1 90 253 ALA . 6287 1 91 254 SER . 6287 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 6287 1 . SER 2 2 6287 1 . HIS 3 3 6287 1 . MET 4 4 6287 1 . ALA 5 5 6287 1 . ALA 6 6 6287 1 . LEU 7 7 6287 1 . GLU 8 8 6287 1 . GLY 9 9 6287 1 . TYR 10 10 6287 1 . ARG 11 11 6287 1 . LYS 12 12 6287 1 . GLU 13 13 6287 1 . GLN 14 14 6287 1 . GLU 15 15 6287 1 . ARG 16 16 6287 1 . LEU 17 17 6287 1 . GLY 18 18 6287 1 . ILE 19 19 6287 1 . PRO 20 20 6287 1 . TYR 21 21 6287 1 . ASP 22 22 6287 1 . PRO 23 23 6287 1 . ILE 24 24 6287 1 . HIS 25 25 6287 1 . TRP 26 26 6287 1 . SER 27 27 6287 1 . THR 28 28 6287 1 . ASP 29 29 6287 1 . GLN 30 30 6287 1 . VAL 31 31 6287 1 . LEU 32 32 6287 1 . HIS 33 33 6287 1 . TRP 34 34 6287 1 . VAL 35 35 6287 1 . VAL 36 36 6287 1 . TRP 37 37 6287 1 . VAL 38 38 6287 1 . MET 39 39 6287 1 . LYS 40 40 6287 1 . GLU 41 41 6287 1 . PHE 42 42 6287 1 . SER 43 43 6287 1 . MET 44 44 6287 1 . THR 45 45 6287 1 . ASP 46 46 6287 1 . ILE 47 47 6287 1 . ASP 48 48 6287 1 . LEU 49 49 6287 1 . THR 50 50 6287 1 . THR 51 51 6287 1 . LEU 52 52 6287 1 . ASN 53 53 6287 1 . ILE 54 54 6287 1 . SER 55 55 6287 1 . GLY 56 56 6287 1 . ARG 57 57 6287 1 . GLU 58 58 6287 1 . LEU 59 59 6287 1 . CYS 60 60 6287 1 . SER 61 61 6287 1 . LEU 62 62 6287 1 . ASN 63 63 6287 1 . GLN 64 64 6287 1 . GLU 65 65 6287 1 . ASP 66 66 6287 1 . PHE 67 67 6287 1 . PHE 68 68 6287 1 . GLN 69 69 6287 1 . ARG 70 70 6287 1 . VAL 71 71 6287 1 . PRO 72 72 6287 1 . ARG 73 73 6287 1 . GLY 74 74 6287 1 . GLU 75 75 6287 1 . ILE 76 76 6287 1 . LEU 77 77 6287 1 . TRP 78 78 6287 1 . SER 79 79 6287 1 . HIS 80 80 6287 1 . LEU 81 81 6287 1 . GLU 82 82 6287 1 . LEU 83 83 6287 1 . LEU 84 84 6287 1 . ARG 85 85 6287 1 . LYS 86 86 6287 1 . TYR 87 87 6287 1 . VAL 88 88 6287 1 . LEU 89 89 6287 1 . ALA 90 90 6287 1 . SER 91 91 6287 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 6287 _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 $GABPalpha_PNT . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6287 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 6287 _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 $GABPalpha_PNT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET28a . . . . . . 6287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6287 _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 'GABPalpha pointed domain' '[U-99% 15N]' . . 1 $GABPalpha_PNT . . . 0.5 2.5 mM . . . . 6287 1 2 NaP . . . . . . . 20 . . mM . . . . 6287 1 3 NaCl . . . . . . . 20 . . mM . . . . 6287 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6287 _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 'GABPalpha pointed domain' '[U-99% 13C; U-99% 15N]' . . 1 $GABPalpha_PNT . . 1.5 . . mM . . . . 6287 2 2 NaP . . . . . . . 20 . . mM . . . . 6287 2 3 NaCl . . . . . . . 20 . . mM . . . . 6287 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6287 _Sample.ID 3 _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 'GABPalpha pointed domain' '[U-10% 13C; U-99% 15N]' . . 1 $GABPalpha_PNT . . 1.5 . . mM . . . . 6287 3 2 NaP . . . . . . . 20 . . mM . . . . 6287 3 3 NaCl . . . . . . . 20 . . mM . . . . 6287 3 stop_ save_ ####################### # Sample conditions # ####################### save_generell_exp_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode generell_exp_condition _Sample_condition_list.Entry_ID 6287 _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 7.2 0.1 n/a 6287 1 temperature 303 1 K 6287 1 'ionic strength' 0.4 0.05 M 6287 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6287 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6287 1 stop_ save_ save_NMRPipe-Draw _Software.Sf_category software _Software.Sf_framecode NMRPipe-Draw _Software.Entry_ID 6287 _Software.ID 2 _Software.Name NMRPipe-Draw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6287 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6287 _Software.ID 3 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6287 3 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 6287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 6287 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6287 _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 Varian Inova . 600 . . . 6287 1 2 NMR_spectrometer_2 Varian Unity . 500 . . . 6287 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 6287 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 4 HBCBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 6 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 7 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6287 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 6287 _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 6287 _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 6287 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6287 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBCBCACONH _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 6287 _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 6287 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH-TOCSY _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 6287 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH-TOCSY _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 6287 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _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 6287 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 internal . . . . . . . . 6287 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6287 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6287 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_Chemical_shifts_GABPa168254 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_shifts_GABPa168254 _Assigned_chem_shift_list.Entry_ID 6287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $generell_exp_condition _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 . 6287 1 . . 2 $sample_2 . 6287 1 . . 3 $sample_3 . 6287 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 3 3 HIS HD2 H 1 6.989 0.004 . 1 . . . . . . . . 6287 1 2 . 1 1 3 3 HIS CB C 13 30.834 0.3 . 1 . . . . . . . . 6287 1 3 . 1 1 3 3 HIS CD2 C 13 118.524 0.3 . 1 . . . . . . . . 6287 1 4 . 1 1 4 4 MET CA C 13 56.637 0.108 . 1 . . . . . . . . 6287 1 5 . 1 1 4 4 MET CB C 13 32.308 0.057 . 1 . . . . . . . . 6287 1 6 . 1 1 4 4 MET CE C 13 16.714 0.06 . 1 . . . . . . . . 6287 1 7 . 1 1 4 4 MET HA H 1 4.499 0.002 . 1 . . . . . . . . 6287 1 8 . 1 1 4 4 MET HB3 H 1 2.675 0.004 . 2 . . . . . . . . 6287 1 9 . 1 1 4 4 MET HB2 H 1 2.537 0.001 . 2 . . . . . . . . 6287 1 10 . 1 1 4 4 MET HE1 H 1 2.023 0.006 . 1 . . . . . . . . 6287 1 11 . 1 1 4 4 MET HE2 H 1 2.023 0.006 . 1 . . . . . . . . 6287 1 12 . 1 1 4 4 MET HE3 H 1 2.023 0.006 . 1 . . . . . . . . 6287 1 13 . 1 1 4 4 MET C C 13 178.287 0.3 . 1 . . . . . . . . 6287 1 14 . 1 1 5 5 ALA CB C 13 17.973 0.099 . 1 . . . . . . . . 6287 1 15 . 1 1 5 5 ALA HA H 1 4.361 0.001 . 1 . . . . . . . . 6287 1 16 . 1 1 5 5 ALA HB1 H 1 1.572 0.008 . 1 . . . . . . . . 6287 1 17 . 1 1 5 5 ALA HB2 H 1 1.572 0.008 . 1 . . . . . . . . 6287 1 18 . 1 1 5 5 ALA HB3 H 1 1.572 0.008 . 1 . . . . . . . . 6287 1 19 . 1 1 5 5 ALA H H 1 8.404 0.005 . 1 . . . . . . . . 6287 1 20 . 1 1 5 5 ALA N N 15 124.211 0.077 . 1 . . . . . . . . 6287 1 21 . 1 1 5 5 ALA C C 13 180.38 0.3 . 1 . . . . . . . . 6287 1 22 . 1 1 5 5 ALA CA C 13 54.856 0.3 . 1 . . . . . . . . 6287 1 23 . 1 1 6 6 ALA CA C 13 54.375 0.121 . 1 . . . . . . . . 6287 1 24 . 1 1 6 6 ALA CB C 13 19.174 0.094 . 1 . . . . . . . . 6287 1 25 . 1 1 6 6 ALA HA H 1 4.782 0.001 . 1 . . . . . . . . 6287 1 26 . 1 1 6 6 ALA HB1 H 1 1.91 0.006 . 1 . . . . . . . . 6287 1 27 . 1 1 6 6 ALA HB2 H 1 1.91 0.006 . 1 . . . . . . . . 6287 1 28 . 1 1 6 6 ALA HB3 H 1 1.91 0.006 . 1 . . . . . . . . 6287 1 29 . 1 1 6 6 ALA H H 1 8.322 0.003 . 1 . . . . . . . . 6287 1 30 . 1 1 6 6 ALA N N 15 120.17 0.085 . 1 . . . . . . . . 6287 1 31 . 1 1 6 6 ALA C C 13 180.934 0.3 . 1 . . . . . . . . 6287 1 32 . 1 1 7 7 LEU CA C 13 58.228 0.064 . 1 . . . . . . . . 6287 1 33 . 1 1 7 7 LEU CB C 13 41.43 0.102 . 1 . . . . . . . . 6287 1 34 . 1 1 7 7 LEU CD1 C 13 23.992 0.069 . 1 . . . . . . . . 6287 1 35 . 1 1 7 7 LEU CD2 C 13 24.841 0.064 . 1 . . . . . . . . 6287 1 36 . 1 1 7 7 LEU CG C 13 27.488 0.156 . 1 . . . . . . . . 6287 1 37 . 1 1 7 7 LEU HA H 1 4.313 0.001 . 1 . . . . . . . . 6287 1 38 . 1 1 7 7 LEU HB3 H 1 2.166 0.005 . 2 . . . . . . . . 6287 1 39 . 1 1 7 7 LEU HB2 H 1 1.678 0.004 . 2 . . . . . . . . 6287 1 40 . 1 1 7 7 LEU HD11 H 1 0.783 0.008 . 2 . . . . . . . . 6287 1 41 . 1 1 7 7 LEU HD12 H 1 0.783 0.008 . 2 . . . . . . . . 6287 1 42 . 1 1 7 7 LEU HD13 H 1 0.783 0.008 . 2 . . . . . . . . 6287 1 43 . 1 1 7 7 LEU HD21 H 1 0.735 0.006 . 2 . . . . . . . . 6287 1 44 . 1 1 7 7 LEU HD22 H 1 0.735 0.006 . 2 . . . . . . . . 6287 1 45 . 1 1 7 7 LEU HD23 H 1 0.735 0.006 . 2 . . . . . . . . 6287 1 46 . 1 1 7 7 LEU HG H 1 1.564 0.011 . 1 . . . . . . . . 6287 1 47 . 1 1 7 7 LEU H H 1 8.2 0.003 . 1 . . . . . . . . 6287 1 48 . 1 1 7 7 LEU N N 15 124.26 0.2 . 1 . . . . . . . . 6287 1 49 . 1 1 7 7 LEU C C 13 178.746 0.3 . 1 . . . . . . . . 6287 1 50 . 1 1 8 8 GLU CA C 13 59.404 0.14 . 1 . . . . . . . . 6287 1 51 . 1 1 8 8 GLU CB C 13 29.536 0.096 . 1 . . . . . . . . 6287 1 52 . 1 1 8 8 GLU CG C 13 36.505 0.199 . 1 . . . . . . . . 6287 1 53 . 1 1 8 8 GLU HA H 1 3.995 0.003 . 1 . . . . . . . . 6287 1 54 . 1 1 8 8 GLU HB3 H 1 2.172 0.005 . 2 . . . . . . . . 6287 1 55 . 1 1 8 8 GLU HB2 H 1 2.109 0.003 . 2 . . . . . . . . 6287 1 56 . 1 1 8 8 GLU HG3 H 1 2.421 0.003 . 2 . . . . . . . . 6287 1 57 . 1 1 8 8 GLU HG2 H 1 2.308 0.006 . 2 . . . . . . . . 6287 1 58 . 1 1 8 8 GLU H H 1 8.104 0.007 . 1 . . . . . . . . 6287 1 59 . 1 1 8 8 GLU N N 15 118.831 0.042 . 1 . . . . . . . . 6287 1 60 . 1 1 8 8 GLU C C 13 179.803 0.3 . 1 . . . . . . . . 6287 1 61 . 1 1 9 9 GLY CA C 13 47.333 0.095 . 1 . . . . . . . . 6287 1 62 . 1 1 9 9 GLY HA3 H 1 4.37 0.001 . 2 . . . . . . . . 6287 1 63 . 1 1 9 9 GLY HA2 H 1 4.044 0.001 . 2 . . . . . . . . 6287 1 64 . 1 1 9 9 GLY H H 1 8.757 0.003 . 1 . . . . . . . . 6287 1 65 . 1 1 9 9 GLY N N 15 105.191 0.173 . 1 . . . . . . . . 6287 1 66 . 1 1 9 9 GLY C C 13 176.426 0.3 . 1 . . . . . . . . 6287 1 67 . 1 1 10 10 TYR CA C 13 62.218 0.159 . 1 . . . . . . . . 6287 1 68 . 1 1 10 10 TYR CB C 13 37.867 0.081 . 1 . . . . . . . . 6287 1 69 . 1 1 10 10 TYR HA H 1 3.469 0.001 . 1 . . . . . . . . 6287 1 70 . 1 1 10 10 TYR HB3 H 1 2.712 0.001 . 2 . . . . . . . . 6287 1 71 . 1 1 10 10 TYR HB2 H 1 2.664 0.006 . 2 . . . . . . . . 6287 1 72 . 1 1 10 10 TYR HE1 H 1 6.369 0.006 . 1 . . . . . . . . 6287 1 73 . 1 1 10 10 TYR HE2 H 1 6.369 0.006 . 1 . . . . . . . . 6287 1 74 . 1 1 10 10 TYR H H 1 8.157 0.002 . 1 . . . . . . . . 6287 1 75 . 1 1 10 10 TYR N N 15 124.292 0.124 . 1 . . . . . . . . 6287 1 76 . 1 1 10 10 TYR C C 13 177.054 0.3 . 1 . . . . . . . . 6287 1 77 . 1 1 10 10 TYR CE1 C 13 116.905 0.3 . 1 . . . . . . . . 6287 1 78 . 1 1 10 10 TYR CE2 C 13 116.905 0.3 . 1 . . . . . . . . 6287 1 79 . 1 1 10 10 TYR HD2 H 1 7.431 0.03 . 1 . . . . . . . . 6287 1 80 . 1 1 10 10 TYR HD1 H 1 7.431 0.03 . 1 . . . . . . . . 6287 1 81 . 1 1 11 11 ARG CA C 13 59.038 0.075 . 1 . . . . . . . . 6287 1 82 . 1 1 11 11 ARG CB C 13 29.85 0.081 . 1 . . . . . . . . 6287 1 83 . 1 1 11 11 ARG CD C 13 43.047 0.09 . 1 . . . . . . . . 6287 1 84 . 1 1 11 11 ARG CG C 13 28.032 0.029 . 1 . . . . . . . . 6287 1 85 . 1 1 11 11 ARG HA H 1 4.482 0.003 . 1 . . . . . . . . 6287 1 86 . 1 1 11 11 ARG HB3 H 1 1.956 0.003 . 2 . . . . . . . . 6287 1 87 . 1 1 11 11 ARG HB2 H 1 1.837 0.006 . 2 . . . . . . . . 6287 1 88 . 1 1 11 11 ARG HD2 H 1 2.928 0.005 . 1 . . . . . . . . 6287 1 89 . 1 1 11 11 ARG HD3 H 1 2.928 0.005 . 1 . . . . . . . . 6287 1 90 . 1 1 11 11 ARG HG2 H 1 1.685 0.007 . 1 . . . . . . . . 6287 1 91 . 1 1 11 11 ARG HG3 H 1 1.685 0.007 . 1 . . . . . . . . 6287 1 92 . 1 1 11 11 ARG H H 1 8.261 0.003 . 1 . . . . . . . . 6287 1 93 . 1 1 11 11 ARG N N 15 119.48 0.175 . 1 . . . . . . . . 6287 1 94 . 1 1 11 11 ARG C C 13 179.481 0.3 . 1 . . . . . . . . 6287 1 95 . 1 1 12 12 LYS CA C 13 59.048 0.084 . 1 . . . . . . . . 6287 1 96 . 1 1 12 12 LYS CB C 13 32.084 0.059 . 1 . . . . . . . . 6287 1 97 . 1 1 12 12 LYS CD C 13 25.274 0.088 . 1 . . . . . . . . 6287 1 98 . 1 1 12 12 LYS CE C 13 41.905 0.082 . 1 . . . . . . . . 6287 1 99 . 1 1 12 12 LYS CG C 13 28.998 0.103 . 1 . . . . . . . . 6287 1 100 . 1 1 12 12 LYS HA H 1 4.147 0.002 . 1 . . . . . . . . 6287 1 101 . 1 1 12 12 LYS HB3 H 1 2.029 0.004 . 2 . . . . . . . . 6287 1 102 . 1 1 12 12 LYS HB2 H 1 1.951 0.009 . 2 . . . . . . . . 6287 1 103 . 1 1 12 12 LYS HD3 H 1 1.703 0.001 . 2 . . . . . . . . 6287 1 104 . 1 1 12 12 LYS HD2 H 1 1.582 0.003 . 2 . . . . . . . . 6287 1 105 . 1 1 12 12 LYS HE2 H 1 3.041 0.005 . 1 . . . . . . . . 6287 1 106 . 1 1 12 12 LYS HE3 H 1 3.041 0.005 . 1 . . . . . . . . 6287 1 107 . 1 1 12 12 LYS HG2 H 1 1.775 0.003 . 1 . . . . . . . . 6287 1 108 . 1 1 12 12 LYS HG3 H 1 1.775 0.003 . 1 . . . . . . . . 6287 1 109 . 1 1 12 12 LYS H H 1 7.586 0.003 . 1 . . . . . . . . 6287 1 110 . 1 1 12 12 LYS N N 15 117.213 0.077 . 1 . . . . . . . . 6287 1 111 . 1 1 12 12 LYS C C 13 179.381 0.3 . 1 . . . . . . . . 6287 1 112 . 1 1 13 13 GLU CA C 13 58.422 0.091 . 1 . . . . . . . . 6287 1 113 . 1 1 13 13 GLU CB C 13 28.388 0.098 . 1 . . . . . . . . 6287 1 114 . 1 1 13 13 GLU CG C 13 34.153 0.102 . 1 . . . . . . . . 6287 1 115 . 1 1 13 13 GLU HA H 1 4.291 0.01 . 1 . . . . . . . . 6287 1 116 . 1 1 13 13 GLU HB3 H 1 1.672 0.004 . 2 . . . . . . . . 6287 1 117 . 1 1 13 13 GLU HB2 H 1 1.498 0.043 . 2 . . . . . . . . 6287 1 118 . 1 1 13 13 GLU HG3 H 1 2.061 0.004 . 2 . . . . . . . . 6287 1 119 . 1 1 13 13 GLU HG2 H 1 1.909 0.003 . 2 . . . . . . . . 6287 1 120 . 1 1 13 13 GLU H H 1 7.08 0.002 . 1 . . . . . . . . 6287 1 121 . 1 1 13 13 GLU N N 15 123.111 0.107 . 1 . . . . . . . . 6287 1 122 . 1 1 13 13 GLU C C 13 177.886 0.3 . 1 . . . . . . . . 6287 1 123 . 1 1 14 14 GLN CA C 13 59.763 0.078 . 1 . . . . . . . . 6287 1 124 . 1 1 14 14 GLN CB C 13 29.149 0.103 . 1 . . . . . . . . 6287 1 125 . 1 1 14 14 GLN CG C 13 36.826 0.132 . 1 . . . . . . . . 6287 1 126 . 1 1 14 14 GLN HA H 1 3.467 0.006 . 1 . . . . . . . . 6287 1 127 . 1 1 14 14 GLN HB3 H 1 2.324 0.004 . 2 . . . . . . . . 6287 1 128 . 1 1 14 14 GLN HB2 H 1 2.087 0.009 . 2 . . . . . . . . 6287 1 129 . 1 1 14 14 GLN HG3 H 1 2.009 0.007 . 2 . . . . . . . . 6287 1 130 . 1 1 14 14 GLN HG2 H 1 1.442 0.006 . 2 . . . . . . . . 6287 1 131 . 1 1 14 14 GLN H H 1 8.404 0.003 . 1 . . . . . . . . 6287 1 132 . 1 1 14 14 GLN N N 15 117.411 0.069 . 1 . . . . . . . . 6287 1 133 . 1 1 14 14 GLN NE2 N 15 111.657 0.001 . 1 . . . . . . . . 6287 1 134 . 1 1 14 14 GLN C C 13 178.777 0.3 . 1 . . . . . . . . 6287 1 135 . 1 1 14 14 GLN HE21 H 1 6.046 0.03 . 1 . . . . . . . . 6287 1 136 . 1 1 14 14 GLN HE22 H 1 6.582 0.03 . 1 . . . . . . . . 6287 1 137 . 1 1 15 15 GLU CA C 13 58.786 0.083 . 1 . . . . . . . . 6287 1 138 . 1 1 15 15 GLU CB C 13 29.414 0.094 . 1 . . . . . . . . 6287 1 139 . 1 1 15 15 GLU CG C 13 36.188 0.09 . 1 . . . . . . . . 6287 1 140 . 1 1 15 15 GLU HA H 1 3.925 0.003 . 1 . . . . . . . . 6287 1 141 . 1 1 15 15 GLU HB2 H 1 2.075 0.002 . 1 . . . . . . . . 6287 1 142 . 1 1 15 15 GLU HB3 H 1 2.075 0.002 . 1 . . . . . . . . 6287 1 143 . 1 1 15 15 GLU HG3 H 1 2.523 0.004 . 2 . . . . . . . . 6287 1 144 . 1 1 15 15 GLU HG2 H 1 2.3 0.01 . 2 . . . . . . . . 6287 1 145 . 1 1 15 15 GLU H H 1 8.162 0.003 . 1 . . . . . . . . 6287 1 146 . 1 1 15 15 GLU N N 15 118.454 0.095 . 1 . . . . . . . . 6287 1 147 . 1 1 15 15 GLU C C 13 179.232 0.3 . 1 . . . . . . . . 6287 1 148 . 1 1 16 16 ARG CA C 13 59.176 0.07 . 1 . . . . . . . . 6287 1 149 . 1 1 16 16 ARG CB C 13 30.925 0.065 . 1 . . . . . . . . 6287 1 150 . 1 1 16 16 ARG CD C 13 43.536 0.084 . 1 . . . . . . . . 6287 1 151 . 1 1 16 16 ARG CG C 13 28.095 0.071 . 1 . . . . . . . . 6287 1 152 . 1 1 16 16 ARG HA H 1 4.026 0.002 . 1 . . . . . . . . 6287 1 153 . 1 1 16 16 ARG HB2 H 1 1.983 0.005 . 1 . . . . . . . . 6287 1 154 . 1 1 16 16 ARG HB3 H 1 1.983 0.005 . 1 . . . . . . . . 6287 1 155 . 1 1 16 16 ARG HD3 H 1 3.392 0.003 . 2 . . . . . . . . 6287 1 156 . 1 1 16 16 ARG HD2 H 1 3.141 0.006 . 2 . . . . . . . . 6287 1 157 . 1 1 16 16 ARG HG3 H 1 1.671 0.007 . 2 . . . . . . . . 6287 1 158 . 1 1 16 16 ARG HG2 H 1 1.523 0.007 . 2 . . . . . . . . 6287 1 159 . 1 1 16 16 ARG H H 1 7.946 0.003 . 1 . . . . . . . . 6287 1 160 . 1 1 16 16 ARG N N 15 120.022 0.096 . 1 . . . . . . . . 6287 1 161 . 1 1 16 16 ARG C C 13 178.117 0.3 . 1 . . . . . . . . 6287 1 162 . 1 1 17 17 LEU CA C 13 54.151 0.142 . 1 . . . . . . . . 6287 1 163 . 1 1 17 17 LEU CB C 13 43.508 0.081 . 1 . . . . . . . . 6287 1 164 . 1 1 17 17 LEU CD1 C 13 25.855 0.045 . 1 . . . . . . . . 6287 1 165 . 1 1 17 17 LEU CD2 C 13 22.193 0.09 . 1 . . . . . . . . 6287 1 166 . 1 1 17 17 LEU CG C 13 27.172 0.057 . 1 . . . . . . . . 6287 1 167 . 1 1 17 17 LEU HA H 1 4.358 0.004 . 1 . . . . . . . . 6287 1 168 . 1 1 17 17 LEU HB3 H 1 1.42 0.006 . 1 . . . . . . . . 6287 1 169 . 1 1 17 17 LEU HB2 H 1 1.42 0.006 . 1 . . . . . . . . 6287 1 170 . 1 1 17 17 LEU HD11 H 1 0.549 0.009 . 2 . . . . . . . . 6287 1 171 . 1 1 17 17 LEU HD12 H 1 0.549 0.009 . 2 . . . . . . . . 6287 1 172 . 1 1 17 17 LEU HD13 H 1 0.549 0.009 . 2 . . . . . . . . 6287 1 173 . 1 1 17 17 LEU HD21 H 1 0.736 0.007 . 2 . . . . . . . . 6287 1 174 . 1 1 17 17 LEU HD22 H 1 0.736 0.007 . 2 . . . . . . . . 6287 1 175 . 1 1 17 17 LEU HD23 H 1 0.736 0.007 . 2 . . . . . . . . 6287 1 176 . 1 1 17 17 LEU HG H 1 1.477 0.006 . 1 . . . . . . . . 6287 1 177 . 1 1 17 17 LEU H H 1 7.479 0.007 . 1 . . . . . . . . 6287 1 178 . 1 1 17 17 LEU N N 15 115.232 0.111 . 1 . . . . . . . . 6287 1 179 . 1 1 17 17 LEU C C 13 177.339 0.3 . 1 . . . . . . . . 6287 1 180 . 1 1 18 18 GLY CA C 13 46.699 0.083 . 1 . . . . . . . . 6287 1 181 . 1 1 18 18 GLY HA3 H 1 3.756 0.002 . 2 . . . . . . . . 6287 1 182 . 1 1 18 18 GLY HA2 H 1 3.864 0.002 . 2 . . . . . . . . 6287 1 183 . 1 1 18 18 GLY H H 1 7.745 0.004 . 1 . . . . . . . . 6287 1 184 . 1 1 18 18 GLY N N 15 111.271 0.072 . 1 . . . . . . . . 6287 1 185 . 1 1 18 18 GLY C C 13 175.055 0.3 . 1 . . . . . . . . 6287 1 186 . 1 1 19 19 ILE CA C 13 58.974 0.1 . 1 . . . . . . . . 6287 1 187 . 1 1 19 19 ILE CB C 13 40.37 0.052 . 1 . . . . . . . . 6287 1 188 . 1 1 19 19 ILE CD1 C 13 12.707 0.054 . 1 . . . . . . . . 6287 1 189 . 1 1 19 19 ILE CG1 C 13 27.924 0.065 . 1 . . . . . . . . 6287 1 190 . 1 1 19 19 ILE CG2 C 13 15.785 0.045 . 1 . . . . . . . . 6287 1 191 . 1 1 19 19 ILE HA H 1 4.035 0.002 . 1 . . . . . . . . 6287 1 192 . 1 1 19 19 ILE HB H 1 1.258 0.004 . 1 . . . . . . . . 6287 1 193 . 1 1 19 19 ILE HD11 H 1 0.416 0.008 . 1 . . . . . . . . 6287 1 194 . 1 1 19 19 ILE HD12 H 1 0.416 0.008 . 1 . . . . . . . . 6287 1 195 . 1 1 19 19 ILE HD13 H 1 0.416 0.008 . 1 . . . . . . . . 6287 1 196 . 1 1 19 19 ILE HG12 H 1 1.408 0.007 . 1 . . . . . . . . 6287 1 197 . 1 1 19 19 ILE HG13 H 1 1.408 0.007 . 1 . . . . . . . . 6287 1 198 . 1 1 19 19 ILE HG21 H 1 0.689 0.008 . 1 . . . . . . . . 6287 1 199 . 1 1 19 19 ILE HG22 H 1 0.689 0.008 . 1 . . . . . . . . 6287 1 200 . 1 1 19 19 ILE HG23 H 1 0.689 0.008 . 1 . . . . . . . . 6287 1 201 . 1 1 19 19 ILE H H 1 8.28 0.005 . 1 . . . . . . . . 6287 1 202 . 1 1 19 19 ILE N N 15 123.292 0.118 . 1 . . . . . . . . 6287 1 203 . 1 1 20 20 PRO CA C 13 63.113 0.116 . 1 . . . . . . . . 6287 1 204 . 1 1 20 20 PRO CB C 13 32.942 0.049 . 1 . . . . . . . . 6287 1 205 . 1 1 20 20 PRO CD C 13 51.083 0.072 . 1 . . . . . . . . 6287 1 206 . 1 1 20 20 PRO CG C 13 27.79 0.074 . 1 . . . . . . . . 6287 1 207 . 1 1 20 20 PRO HA H 1 4.213 0.006 . 1 . . . . . . . . 6287 1 208 . 1 1 20 20 PRO HB3 H 1 2.558 0.008 . 2 . . . . . . . . 6287 1 209 . 1 1 20 20 PRO HB2 H 1 1.986 0.005 . 2 . . . . . . . . 6287 1 210 . 1 1 20 20 PRO HD3 H 1 3.592 0.003 . 2 . . . . . . . . 6287 1 211 . 1 1 20 20 PRO HD2 H 1 4.142 0.004 . 2 . . . . . . . . 6287 1 212 . 1 1 20 20 PRO HG3 H 1 2.185 0.006 . 1 . . . . . . . . 6287 1 213 . 1 1 20 20 PRO HG2 H 1 2.185 0.006 . 1 . . . . . . . . 6287 1 214 . 1 1 20 20 PRO C C 13 177.07 0.3 . 1 . . . . . . . . 6287 1 215 . 1 1 21 21 TYR CA C 13 60.64 0.085 . 1 . . . . . . . . 6287 1 216 . 1 1 21 21 TYR CB C 13 38.144 0.078 . 1 . . . . . . . . 6287 1 217 . 1 1 21 21 TYR HA H 1 4.38 0.002 . 1 . . . . . . . . 6287 1 218 . 1 1 21 21 TYR HB3 H 1 3.094 0.001 . 2 . . . . . . . . 6287 1 219 . 1 1 21 21 TYR HB2 H 1 2.899 0.003 . 2 . . . . . . . . 6287 1 220 . 1 1 21 21 TYR HD1 H 1 7.161 0.005 . 1 . . . . . . . . 6287 1 221 . 1 1 21 21 TYR HD2 H 1 7.161 0.005 . 1 . . . . . . . . 6287 1 222 . 1 1 21 21 TYR HE1 H 1 6.826 0.005 . 1 . . . . . . . . 6287 1 223 . 1 1 21 21 TYR HE2 H 1 6.826 0.005 . 1 . . . . . . . . 6287 1 224 . 1 1 21 21 TYR H H 1 8.264 0.003 . 1 . . . . . . . . 6287 1 225 . 1 1 21 21 TYR N N 15 122.217 0.173 . 1 . . . . . . . . 6287 1 226 . 1 1 21 21 TYR C C 13 177.358 0.3 . 1 . . . . . . . . 6287 1 227 . 1 1 21 21 TYR CD1 C 13 132.289 0.3 . 1 . . . . . . . . 6287 1 228 . 1 1 21 21 TYR CD2 C 13 132.289 0.3 . 1 . . . . . . . . 6287 1 229 . 1 1 21 21 TYR CE1 C 13 118.346 0.3 . 1 . . . . . . . . 6287 1 230 . 1 1 21 21 TYR CE2 C 13 118.346 0.3 . 1 . . . . . . . . 6287 1 231 . 1 1 22 22 ASP CA C 13 50.942 0.023 . 1 . . . . . . . . 6287 1 232 . 1 1 22 22 ASP CB C 13 42.618 0.017 . 1 . . . . . . . . 6287 1 233 . 1 1 22 22 ASP HB3 H 1 2.966 0.003 . 2 . . . . . . . . 6287 1 234 . 1 1 22 22 ASP HB2 H 1 2.428 0.002 . 2 . . . . . . . . 6287 1 235 . 1 1 22 22 ASP H H 1 8.465 0.005 . 1 . . . . . . . . 6287 1 236 . 1 1 22 22 ASP N N 15 118.995 0.108 . 1 . . . . . . . . 6287 1 237 . 1 1 22 22 ASP HA H 1 4.583 0.03 . 1 . . . . . . . . 6287 1 238 . 1 1 23 23 PRO C C 13 176.215 0.001 . 1 . . . . . . . . 6287 1 239 . 1 1 23 23 PRO CA C 13 61.678 0.082 . 1 . . . . . . . . 6287 1 240 . 1 1 23 23 PRO CB C 13 30.563 0.106 . 1 . . . . . . . . 6287 1 241 . 1 1 23 23 PRO CD C 13 50.147 0.07 . 1 . . . . . . . . 6287 1 242 . 1 1 23 23 PRO CG C 13 27.309 0.046 . 1 . . . . . . . . 6287 1 243 . 1 1 23 23 PRO HA H 1 1.044 0.001 . 1 . . . . . . . . 6287 1 244 . 1 1 23 23 PRO HB3 H 1 0.408 0.005 . 2 . . . . . . . . 6287 1 245 . 1 1 23 23 PRO HB2 H 1 -0.3 0.006 . 2 . . . . . . . . 6287 1 246 . 1 1 23 23 PRO HD3 H 1 3.727 0.001 . 2 . . . . . . . . 6287 1 247 . 1 1 23 23 PRO HD2 H 1 3.452 0.003 . 2 . . . . . . . . 6287 1 248 . 1 1 23 23 PRO HG3 H 1 1.081 0.003 . 2 . . . . . . . . 6287 1 249 . 1 1 23 23 PRO HG2 H 1 0.765 0.004 . 2 . . . . . . . . 6287 1 250 . 1 1 24 24 ILE CA C 13 63.798 0.085 . 1 . . . . . . . . 6287 1 251 . 1 1 24 24 ILE CB C 13 37.717 0.127 . 1 . . . . . . . . 6287 1 252 . 1 1 24 24 ILE CD1 C 13 14.175 0.072 . 1 . . . . . . . . 6287 1 253 . 1 1 24 24 ILE CG1 C 13 28.986 0.062 . 1 . . . . . . . . 6287 1 254 . 1 1 24 24 ILE CG2 C 13 16.171 0.059 . 1 . . . . . . . . 6287 1 255 . 1 1 24 24 ILE HA H 1 3.354 0.003 . 1 . . . . . . . . 6287 1 256 . 1 1 24 24 ILE HB H 1 1.345 0.006 . 1 . . . . . . . . 6287 1 257 . 1 1 24 24 ILE HD11 H 1 0.646 0.009 . 1 . . . . . . . . 6287 1 258 . 1 1 24 24 ILE HD12 H 1 0.646 0.009 . 1 . . . . . . . . 6287 1 259 . 1 1 24 24 ILE HD13 H 1 0.646 0.009 . 1 . . . . . . . . 6287 1 260 . 1 1 24 24 ILE HG12 H 1 0.939 0.01 . 1 . . . . . . . . 6287 1 261 . 1 1 24 24 ILE HG13 H 1 0.939 0.01 . 1 . . . . . . . . 6287 1 262 . 1 1 24 24 ILE HG21 H 1 0.17 0.009 . 1 . . . . . . . . 6287 1 263 . 1 1 24 24 ILE HG22 H 1 0.17 0.009 . 1 . . . . . . . . 6287 1 264 . 1 1 24 24 ILE HG23 H 1 0.17 0.009 . 1 . . . . . . . . 6287 1 265 . 1 1 24 24 ILE H H 1 7.57 0.002 . 1 . . . . . . . . 6287 1 266 . 1 1 24 24 ILE N N 15 117.086 0.161 . 1 . . . . . . . . 6287 1 267 . 1 1 24 24 ILE C C 13 177.209 0.3 . 1 . . . . . . . . 6287 1 268 . 1 1 25 25 HIS CA C 13 55.578 0.096 . 1 . . . . . . . . 6287 1 269 . 1 1 25 25 HIS CB C 13 31.938 0.107 . 1 . . . . . . . . 6287 1 270 . 1 1 25 25 HIS CD2 C 13 118.914 0.3 . 1 . . . . . . . . 6287 1 271 . 1 1 25 25 HIS CE1 C 13 138.977 0.3 . 1 . . . . . . . . 6287 1 272 . 1 1 25 25 HIS HA H 1 4.778 0.002 . 1 . . . . . . . . 6287 1 273 . 1 1 25 25 HIS HB3 H 1 3.502 0.007 . 2 . . . . . . . . 6287 1 274 . 1 1 25 25 HIS HB2 H 1 2.936 0.006 . 2 . . . . . . . . 6287 1 275 . 1 1 25 25 HIS HD2 H 1 7.074 0.004 . 1 . . . . . . . . 6287 1 276 . 1 1 25 25 HIS HE1 H 1 7.675 0.03 . 1 . . . . . . . . 6287 1 277 . 1 1 25 25 HIS H H 1 7.612 0.003 . 1 . . . . . . . . 6287 1 278 . 1 1 25 25 HIS N N 15 118.041 0.083 . 1 . . . . . . . . 6287 1 279 . 1 1 25 25 HIS C C 13 176.819 0.3 . 1 . . . . . . . . 6287 1 280 . 1 1 26 26 TRP CA C 13 55.493 0.107 . 1 . . . . . . . . 6287 1 281 . 1 1 26 26 TRP CB C 13 30.713 0.082 . 1 . . . . . . . . 6287 1 282 . 1 1 26 26 TRP CD1 C 13 124.433 0 . 1 . . . . . . . . 6287 1 283 . 1 1 26 26 TRP CE3 C 13 120.856 0 . 1 . . . . . . . . 6287 1 284 . 1 1 26 26 TRP CH2 C 13 125.931 0 . 1 . . . . . . . . 6287 1 285 . 1 1 26 26 TRP CZ2 C 13 113.165 0 . 1 . . . . . . . . 6287 1 286 . 1 1 26 26 TRP CZ3 C 13 122.456 0 . 1 . . . . . . . . 6287 1 287 . 1 1 26 26 TRP HA H 1 5.351 0.002 . 1 . . . . . . . . 6287 1 288 . 1 1 26 26 TRP HB3 H 1 3.509 0.002 . 2 . . . . . . . . 6287 1 289 . 1 1 26 26 TRP HB2 H 1 3.272 0.001 . 2 . . . . . . . . 6287 1 290 . 1 1 26 26 TRP HD1 H 1 6.572 0.006 . 1 . . . . . . . . 6287 1 291 . 1 1 26 26 TRP HE3 H 1 7.398 0 . 1 . . . . . . . . 6287 1 292 . 1 1 26 26 TRP HH2 H 1 6.197 0 . 1 . . . . . . . . 6287 1 293 . 1 1 26 26 TRP H H 1 7.868 0.004 . 1 . . . . . . . . 6287 1 294 . 1 1 26 26 TRP HE1 H 1 9.833 0.005 . 1 . . . . . . . . 6287 1 295 . 1 1 26 26 TRP HZ2 H 1 7.297 0 . 1 . . . . . . . . 6287 1 296 . 1 1 26 26 TRP HZ3 H 1 6.372 0 . 1 . . . . . . . . 6287 1 297 . 1 1 27 27 SER CA C 13 56.849 0.098 . 1 . . . . . . . . 6287 1 298 . 1 1 27 27 SER CB C 13 65.404 0.24 . 1 . . . . . . . . 6287 1 299 . 1 1 27 27 SER HA H 1 4.98 0.002 . 1 . . . . . . . . 6287 1 300 . 1 1 27 27 SER HB3 H 1 4.561 0.001 . 2 . . . . . . . . 6287 1 301 . 1 1 27 27 SER HB2 H 1 4.134 0.002 . 2 . . . . . . . . 6287 1 302 . 1 1 27 27 SER H H 1 9.344 0.003 . 1 . . . . . . . . 6287 1 303 . 1 1 27 27 SER N N 15 122.158 0.115 . 1 . . . . . . . . 6287 1 304 . 1 1 27 27 SER C C 13 175.839 0.3 . 1 . . . . . . . . 6287 1 305 . 1 1 28 28 THR CA C 13 65.855 0.159 . 1 . . . . . . . . 6287 1 306 . 1 1 28 28 THR CB C 13 67.912 0.042 . 1 . . . . . . . . 6287 1 307 . 1 1 28 28 THR CG2 C 13 21.648 0.058 . 1 . . . . . . . . 6287 1 308 . 1 1 28 28 THR HA H 1 4.461 0.002 . 1 . . . . . . . . 6287 1 309 . 1 1 28 28 THR HB H 1 4.191 0.002 . 1 . . . . . . . . 6287 1 310 . 1 1 28 28 THR HG21 H 1 1.164 0.009 . 1 . . . . . . . . 6287 1 311 . 1 1 28 28 THR HG22 H 1 1.164 0.009 . 1 . . . . . . . . 6287 1 312 . 1 1 28 28 THR HG23 H 1 1.164 0.009 . 1 . . . . . . . . 6287 1 313 . 1 1 28 28 THR H H 1 8.989 0.004 . 1 . . . . . . . . 6287 1 314 . 1 1 28 28 THR N N 15 116.197 0.078 . 1 . . . . . . . . 6287 1 315 . 1 1 28 28 THR C C 13 176.823 0.3 . 1 . . . . . . . . 6287 1 316 . 1 1 29 29 ASP CA C 13 57.406 0.114 . 1 . . . . . . . . 6287 1 317 . 1 1 29 29 ASP CB C 13 40.643 0.077 . 1 . . . . . . . . 6287 1 318 . 1 1 29 29 ASP HA H 1 4.484 0.004 . 1 . . . . . . . . 6287 1 319 . 1 1 29 29 ASP HB3 H 1 2.699 0.004 . 2 . . . . . . . . 6287 1 320 . 1 1 29 29 ASP HB2 H 1 2.568 0.005 . 2 . . . . . . . . 6287 1 321 . 1 1 29 29 ASP H H 1 8.203 0.005 . 1 . . . . . . . . 6287 1 322 . 1 1 29 29 ASP N N 15 118.541 0.09 . 1 . . . . . . . . 6287 1 323 . 1 1 30 30 GLN CA C 13 58.503 0.073 . 1 . . . . . . . . 6287 1 324 . 1 1 30 30 GLN CB C 13 25.973 0.079 . 1 . . . . . . . . 6287 1 325 . 1 1 30 30 GLN CG C 13 34.934 0.057 . 1 . . . . . . . . 6287 1 326 . 1 1 30 30 GLN HA H 1 3.994 0.007 . 1 . . . . . . . . 6287 1 327 . 1 1 30 30 GLN HB3 H 1 2.486 0.001 . 2 . . . . . . . . 6287 1 328 . 1 1 30 30 GLN HB2 H 1 1.404 0.002 . 2 . . . . . . . . 6287 1 329 . 1 1 30 30 GLN HG3 H 1 2.15 0.005 . 2 . . . . . . . . 6287 1 330 . 1 1 30 30 GLN HG2 H 1 2.497 0.003 . 2 . . . . . . . . 6287 1 331 . 1 1 30 30 GLN H H 1 7.727 0.002 . 1 . . . . . . . . 6287 1 332 . 1 1 30 30 GLN HE21 H 1 7.502 0.003 . 1 . . . . . . . . 6287 1 333 . 1 1 30 30 GLN HE22 H 1 6.91 0.001 . 1 . . . . . . . . 6287 1 334 . 1 1 30 30 GLN N N 15 120.76 0.054 . 1 . . . . . . . . 6287 1 335 . 1 1 30 30 GLN NE2 N 15 109.941 0.078 . 1 . . . . . . . . 6287 1 336 . 1 1 30 30 GLN C C 13 179.839 0.3 . 1 . . . . . . . . 6287 1 337 . 1 1 31 31 VAL CA C 13 68.044 0.042 . 1 . . . . . . . . 6287 1 338 . 1 1 31 31 VAL CB C 13 32.134 0.146 . 1 . . . . . . . . 6287 1 339 . 1 1 31 31 VAL CG1 C 13 21.838 0.036 . 1 . . . . . . . . 6287 1 340 . 1 1 31 31 VAL CG2 C 13 23.965 0.068 . 1 . . . . . . . . 6287 1 341 . 1 1 31 31 VAL HA H 1 4.301 0.002 . 1 . . . . . . . . 6287 1 342 . 1 1 31 31 VAL HB H 1 3.129 0.005 . 1 . . . . . . . . 6287 1 343 . 1 1 31 31 VAL HG11 H 1 1.52 0.004 . 1 . . . . . . . . 6287 1 344 . 1 1 31 31 VAL HG12 H 1 1.52 0.004 . 1 . . . . . . . . 6287 1 345 . 1 1 31 31 VAL HG13 H 1 1.52 0.004 . 1 . . . . . . . . 6287 1 346 . 1 1 31 31 VAL HG21 H 1 1.494 0.013 . 1 . . . . . . . . 6287 1 347 . 1 1 31 31 VAL HG22 H 1 1.494 0.013 . 1 . . . . . . . . 6287 1 348 . 1 1 31 31 VAL HG23 H 1 1.494 0.013 . 1 . . . . . . . . 6287 1 349 . 1 1 31 31 VAL H H 1 8.803 0.003 . 1 . . . . . . . . 6287 1 350 . 1 1 31 31 VAL N N 15 127.414 0.15 . 1 . . . . . . . . 6287 1 351 . 1 1 31 31 VAL C C 13 177.954 0.3 . 1 . . . . . . . . 6287 1 352 . 1 1 32 32 LEU CA C 13 58.309 0.098 . 1 . . . . . . . . 6287 1 353 . 1 1 32 32 LEU CB C 13 41.544 0.093 . 1 . . . . . . . . 6287 1 354 . 1 1 32 32 LEU CD1 C 13 25.318 0.058 . 1 . . . . . . . . 6287 1 355 . 1 1 32 32 LEU CD2 C 13 23.723 0.082 . 1 . . . . . . . . 6287 1 356 . 1 1 32 32 LEU CG C 13 27.047 0.078 . 1 . . . . . . . . 6287 1 357 . 1 1 32 32 LEU HA H 1 4.183 0.004 . 1 . . . . . . . . 6287 1 358 . 1 1 32 32 LEU HB3 H 1 1.624 0.004 . 2 . . . . . . . . 6287 1 359 . 1 1 32 32 LEU HB2 H 1 1.99 0.007 . 2 . . . . . . . . 6287 1 360 . 1 1 32 32 LEU HD11 H 1 0.953 0.008 . 2 . . . . . . . . 6287 1 361 . 1 1 32 32 LEU HD12 H 1 0.953 0.008 . 2 . . . . . . . . 6287 1 362 . 1 1 32 32 LEU HD13 H 1 0.953 0.008 . 2 . . . . . . . . 6287 1 363 . 1 1 32 32 LEU HD21 H 1 0.91 0.01 . 2 . . . . . . . . 6287 1 364 . 1 1 32 32 LEU HD22 H 1 0.91 0.01 . 2 . . . . . . . . 6287 1 365 . 1 1 32 32 LEU HD23 H 1 0.91 0.01 . 2 . . . . . . . . 6287 1 366 . 1 1 32 32 LEU HG H 1 1.988 0.008 . 1 . . . . . . . . 6287 1 367 . 1 1 32 32 LEU H H 1 8.237 0.004 . 1 . . . . . . . . 6287 1 368 . 1 1 32 32 LEU N N 15 118.444 0.089 . 1 . . . . . . . . 6287 1 369 . 1 1 33 33 HIS CA C 13 60.986 0.213 . 1 . . . . . . . . 6287 1 370 . 1 1 33 33 HIS CB C 13 31.01 0.125 . 1 . . . . . . . . 6287 1 371 . 1 1 33 33 HIS HA H 1 3.992 0.003 . 1 . . . . . . . . 6287 1 372 . 1 1 33 33 HIS HB3 H 1 3.117 0.004 . 2 . . . . . . . . 6287 1 373 . 1 1 33 33 HIS HB2 H 1 3.202 0.007 . 2 . . . . . . . . 6287 1 374 . 1 1 33 33 HIS HD2 H 1 7.313 0.003 . 1 . . . . . . . . 6287 1 375 . 1 1 33 33 HIS H H 1 8.114 0.005 . 1 . . . . . . . . 6287 1 376 . 1 1 33 33 HIS N N 15 118.59 0.128 . 1 . . . . . . . . 6287 1 377 . 1 1 33 33 HIS C C 13 177.107 0.3 . 1 . . . . . . . . 6287 1 378 . 1 1 33 33 HIS CD2 C 13 118.736 0.3 . 1 . . . . . . . . 6287 1 379 . 1 1 33 33 HIS CE1 C 13 138.519 0.3 . 1 . . . . . . . . 6287 1 380 . 1 1 33 33 HIS HE1 H 1 7.816 0.03 . 1 . . . . . . . . 6287 1 381 . 1 1 34 34 TRP CA C 13 60.737 0.09 . 1 . . . . . . . . 6287 1 382 . 1 1 34 34 TRP CB C 13 27.659 0.073 . 1 . . . . . . . . 6287 1 383 . 1 1 34 34 TRP CD1 C 13 126.191 0 . 1 . . . . . . . . 6287 1 384 . 1 1 34 34 TRP CE3 C 13 121.643 0 . 1 . . . . . . . . 6287 1 385 . 1 1 34 34 TRP CH2 C 13 123.453 0 . 1 . . . . . . . . 6287 1 386 . 1 1 34 34 TRP CZ2 C 13 114.834 0 . 1 . . . . . . . . 6287 1 387 . 1 1 34 34 TRP CZ3 C 13 120.654 0 . 1 . . . . . . . . 6287 1 388 . 1 1 34 34 TRP HA H 1 4.187 0.007 . 1 . . . . . . . . 6287 1 389 . 1 1 34 34 TRP HB3 H 1 3.81 0.002 . 2 . . . . . . . . 6287 1 390 . 1 1 34 34 TRP HB2 H 1 2.938 0.003 . 2 . . . . . . . . 6287 1 391 . 1 1 34 34 TRP HD1 H 1 5.723 0.005 . 1 . . . . . . . . 6287 1 392 . 1 1 34 34 TRP H H 1 7.552 0.003 . 1 . . . . . . . . 6287 1 393 . 1 1 34 34 TRP HE1 H 1 12.464 0.03 . 1 . . . . . . . . 6287 1 394 . 1 1 34 34 TRP C C 13 176.225 0.3 . 1 . . . . . . . . 6287 1 395 . 1 1 34 34 TRP HE3 H 1 8.209 0.03 . 1 . . . . . . . . 6287 1 396 . 1 1 34 34 TRP HH2 H 1 7.004 0.03 . 1 . . . . . . . . 6287 1 397 . 1 1 34 34 TRP HZ2 H 1 7.921 0.03 . 1 . . . . . . . . 6287 1 398 . 1 1 34 34 TRP HZ3 H 1 7.043 0.03 . 1 . . . . . . . . 6287 1 399 . 1 1 35 35 VAL CA C 13 66.46 0.087 . 1 . . . . . . . . 6287 1 400 . 1 1 35 35 VAL CB C 13 31.773 0.086 . 1 . . . . . . . . 6287 1 401 . 1 1 35 35 VAL CG1 C 13 22.507 0.065 . 1 . . . . . . . . 6287 1 402 . 1 1 35 35 VAL CG2 C 13 24.195 0.074 . 1 . . . . . . . . 6287 1 403 . 1 1 35 35 VAL HA H 1 2.6 0.005 . 1 . . . . . . . . 6287 1 404 . 1 1 35 35 VAL HB H 1 2.131 0.008 . 1 . . . . . . . . 6287 1 405 . 1 1 35 35 VAL HG11 H 1 0.76 0.009 . 1 . . . . . . . . 6287 1 406 . 1 1 35 35 VAL HG12 H 1 0.76 0.009 . 1 . . . . . . . . 6287 1 407 . 1 1 35 35 VAL HG13 H 1 0.76 0.009 . 1 . . . . . . . . 6287 1 408 . 1 1 35 35 VAL HG21 H 1 1.219 0.008 . 1 . . . . . . . . 6287 1 409 . 1 1 35 35 VAL HG22 H 1 1.219 0.008 . 1 . . . . . . . . 6287 1 410 . 1 1 35 35 VAL HG23 H 1 1.219 0.008 . 1 . . . . . . . . 6287 1 411 . 1 1 35 35 VAL H H 1 8.419 0.003 . 1 . . . . . . . . 6287 1 412 . 1 1 35 35 VAL N N 15 118.139 0.079 . 1 . . . . . . . . 6287 1 413 . 1 1 35 35 VAL C C 13 178.104 0.3 . 1 . . . . . . . . 6287 1 414 . 1 1 36 36 VAL CA C 13 66.538 0.049 . 1 . . . . . . . . 6287 1 415 . 1 1 36 36 VAL CB C 13 31.615 0.093 . 1 . . . . . . . . 6287 1 416 . 1 1 36 36 VAL CG1 C 13 21.312 0.057 . 1 . . . . . . . . 6287 1 417 . 1 1 36 36 VAL CG2 C 13 23.302 0.069 . 1 . . . . . . . . 6287 1 418 . 1 1 36 36 VAL HA H 1 3.527 0.001 . 1 . . . . . . . . 6287 1 419 . 1 1 36 36 VAL HB H 1 2.033 0.007 . 1 . . . . . . . . 6287 1 420 . 1 1 36 36 VAL HG11 H 1 0.909 0.008 . 1 . . . . . . . . 6287 1 421 . 1 1 36 36 VAL HG12 H 1 0.909 0.008 . 1 . . . . . . . . 6287 1 422 . 1 1 36 36 VAL HG13 H 1 0.909 0.008 . 1 . . . . . . . . 6287 1 423 . 1 1 36 36 VAL HG21 H 1 1.062 0.008 . 1 . . . . . . . . 6287 1 424 . 1 1 36 36 VAL HG22 H 1 1.062 0.008 . 1 . . . . . . . . 6287 1 425 . 1 1 36 36 VAL HG23 H 1 1.062 0.008 . 1 . . . . . . . . 6287 1 426 . 1 1 36 36 VAL H H 1 8.075 0.002 . 1 . . . . . . . . 6287 1 427 . 1 1 36 36 VAL N N 15 117.045 0.062 . 1 . . . . . . . . 6287 1 428 . 1 1 36 36 VAL C C 13 177.913 0.3 . 1 . . . . . . . . 6287 1 429 . 1 1 37 37 TRP CA C 13 62.95 0.136 . 1 . . . . . . . . 6287 1 430 . 1 1 37 37 TRP CB C 13 30.028 0.467 . 1 . . . . . . . . 6287 1 431 . 1 1 37 37 TRP CD1 C 13 127.266 0 . 1 . . . . . . . . 6287 1 432 . 1 1 37 37 TRP CE3 C 13 121.825 0 . 1 . . . . . . . . 6287 1 433 . 1 1 37 37 TRP CH2 C 13 120.154 0 . 1 . . . . . . . . 6287 1 434 . 1 1 37 37 TRP CZ2 C 13 114.137 0 . 1 . . . . . . . . 6287 1 435 . 1 1 37 37 TRP CZ3 C 13 124.639 0 . 1 . . . . . . . . 6287 1 436 . 1 1 37 37 TRP HA H 1 3.897 0.002 . 1 . . . . . . . . 6287 1 437 . 1 1 37 37 TRP HB3 H 1 3.616 0.001 . 2 . . . . . . . . 6287 1 438 . 1 1 37 37 TRP HB2 H 1 3.156 0.003 . 2 . . . . . . . . 6287 1 439 . 1 1 37 37 TRP HD1 H 1 7.301 0.005 . 1 . . . . . . . . 6287 1 440 . 1 1 37 37 TRP H H 1 8.238 0.004 . 1 . . . . . . . . 6287 1 441 . 1 1 37 37 TRP HE1 H 1 10.246 0.03 . 1 . . . . . . . . 6287 1 442 . 1 1 37 37 TRP C C 13 179.161 0.3 . 1 . . . . . . . . 6287 1 443 . 1 1 37 37 TRP HE3 H 1 7.237 0.03 . 1 . . . . . . . . 6287 1 444 . 1 1 37 37 TRP HH2 H 1 6.69 0.03 . 1 . . . . . . . . 6287 1 445 . 1 1 37 37 TRP HZ2 H 1 7.322 0.03 . 1 . . . . . . . . 6287 1 446 . 1 1 37 37 TRP HZ3 H 1 7.366 0.03 . 1 . . . . . . . . 6287 1 447 . 1 1 38 38 VAL CA C 13 67.087 0.047 . 1 . . . . . . . . 6287 1 448 . 1 1 38 38 VAL CB C 13 31.296 0.07 . 1 . . . . . . . . 6287 1 449 . 1 1 38 38 VAL CG1 C 13 22.955 0.057 . 1 . . . . . . . . 6287 1 450 . 1 1 38 38 VAL CG2 C 13 23.364 0.058 . 1 . . . . . . . . 6287 1 451 . 1 1 38 38 VAL HA H 1 3.259 0.002 . 1 . . . . . . . . 6287 1 452 . 1 1 38 38 VAL HB H 1 1.625 0.007 . 1 . . . . . . . . 6287 1 453 . 1 1 38 38 VAL HG11 H 1 0.625 0.009 . 1 . . . . . . . . 6287 1 454 . 1 1 38 38 VAL HG12 H 1 0.625 0.009 . 1 . . . . . . . . 6287 1 455 . 1 1 38 38 VAL HG13 H 1 0.625 0.009 . 1 . . . . . . . . 6287 1 456 . 1 1 38 38 VAL HG21 H 1 0.476 0.007 . 1 . . . . . . . . 6287 1 457 . 1 1 38 38 VAL HG22 H 1 0.476 0.007 . 1 . . . . . . . . 6287 1 458 . 1 1 38 38 VAL HG23 H 1 0.476 0.007 . 1 . . . . . . . . 6287 1 459 . 1 1 38 38 VAL H H 1 8.764 0.003 . 1 . . . . . . . . 6287 1 460 . 1 1 38 38 VAL N N 15 120.517 0.118 . 1 . . . . . . . . 6287 1 461 . 1 1 38 38 VAL C C 13 178.168 0.3 . 1 . . . . . . . . 6287 1 462 . 1 1 39 39 MET CA C 13 60.042 0.172 . 1 . . . . . . . . 6287 1 463 . 1 1 39 39 MET CB C 13 33.333 0.063 . 1 . . . . . . . . 6287 1 464 . 1 1 39 39 MET CE C 13 16.598 0.046 . 1 . . . . . . . . 6287 1 465 . 1 1 39 39 MET CG C 13 31.786 0.045 . 1 . . . . . . . . 6287 1 466 . 1 1 39 39 MET HA H 1 3.874 0.003 . 1 . . . . . . . . 6287 1 467 . 1 1 39 39 MET HB2 H 1 2.175 0.004 . 1 . . . . . . . . 6287 1 468 . 1 1 39 39 MET HB3 H 1 2.175 0.004 . 1 . . . . . . . . 6287 1 469 . 1 1 39 39 MET HE1 H 1 1.969 0.004 . 1 . . . . . . . . 6287 1 470 . 1 1 39 39 MET HE2 H 1 1.969 0.004 . 1 . . . . . . . . 6287 1 471 . 1 1 39 39 MET HE3 H 1 1.969 0.004 . 1 . . . . . . . . 6287 1 472 . 1 1 39 39 MET HG3 H 1 2.316 0.012 . 2 . . . . . . . . 6287 1 473 . 1 1 39 39 MET HG2 H 1 2.797 0.003 . 2 . . . . . . . . 6287 1 474 . 1 1 39 39 MET H H 1 8.614 0.003 . 1 . . . . . . . . 6287 1 475 . 1 1 39 39 MET N N 15 117.758 0.066 . 1 . . . . . . . . 6287 1 476 . 1 1 39 39 MET C C 13 178.732 0.3 . 1 . . . . . . . . 6287 1 477 . 1 1 40 40 LYS CA C 13 58.513 0.307 . 1 . . . . . . . . 6287 1 478 . 1 1 40 40 LYS CB C 13 32.476 0.173 . 1 . . . . . . . . 6287 1 479 . 1 1 40 40 LYS CD C 13 29.19 0.254 . 1 . . . . . . . . 6287 1 480 . 1 1 40 40 LYS CG C 13 25.163 0.188 . 1 . . . . . . . . 6287 1 481 . 1 1 40 40 LYS HA H 1 4.022 0.008 . 1 . . . . . . . . 6287 1 482 . 1 1 40 40 LYS HB3 H 1 1.728 0.01 . 2 . . . . . . . . 6287 1 483 . 1 1 40 40 LYS HB2 H 1 1.823 0.008 . 2 . . . . . . . . 6287 1 484 . 1 1 40 40 LYS HD2 H 1 1.554 0.004 . 1 . . . . . . . . 6287 1 485 . 1 1 40 40 LYS HD3 H 1 1.554 0.004 . 1 . . . . . . . . 6287 1 486 . 1 1 40 40 LYS HE2 H 1 2.868 0.006 . 1 . . . . . . . . 6287 1 487 . 1 1 40 40 LYS HE3 H 1 2.868 0.006 . 1 . . . . . . . . 6287 1 488 . 1 1 40 40 LYS HG3 H 1 1.097 0.004 . 2 . . . . . . . . 6287 1 489 . 1 1 40 40 LYS HG2 H 1 1.365 0.005 . 2 . . . . . . . . 6287 1 490 . 1 1 40 40 LYS H H 1 7.847 0.004 . 1 . . . . . . . . 6287 1 491 . 1 1 40 40 LYS N N 15 118.118 0.082 . 1 . . . . . . . . 6287 1 492 . 1 1 40 40 LYS C C 13 179.629 0.3 . 1 . . . . . . . . 6287 1 493 . 1 1 40 40 LYS CE C 13 41.991 0.3 . 1 . . . . . . . . 6287 1 494 . 1 1 41 41 GLU CA C 13 58.24 0.085 . 1 . . . . . . . . 6287 1 495 . 1 1 41 41 GLU CB C 13 28.806 0.105 . 1 . . . . . . . . 6287 1 496 . 1 1 41 41 GLU CG C 13 34.083 0.065 . 1 . . . . . . . . 6287 1 497 . 1 1 41 41 GLU HA H 1 3.544 0.002 . 1 . . . . . . . . 6287 1 498 . 1 1 41 41 GLU HB3 H 1 1.168 0.006 . 2 . . . . . . . . 6287 1 499 . 1 1 41 41 GLU HB2 H 1 0.876 0.032 . 2 . . . . . . . . 6287 1 500 . 1 1 41 41 GLU HG3 H 1 1.386 0.006 . 2 . . . . . . . . 6287 1 501 . 1 1 41 41 GLU HG2 H 1 0.825 0.023 . 2 . . . . . . . . 6287 1 502 . 1 1 41 41 GLU H H 1 8.143 0.003 . 1 . . . . . . . . 6287 1 503 . 1 1 41 41 GLU N N 15 122.239 0.105 . 1 . . . . . . . . 6287 1 504 . 1 1 41 41 GLU C C 13 178.026 0.3 . 1 . . . . . . . . 6287 1 505 . 1 1 42 42 PHE CA C 13 57.756 0.152 . 1 . . . . . . . . 6287 1 506 . 1 1 42 42 PHE CB C 13 38.776 0.072 . 1 . . . . . . . . 6287 1 507 . 1 1 42 42 PHE HA H 1 4.503 0.002 . 1 . . . . . . . . 6287 1 508 . 1 1 42 42 PHE HB3 H 1 3.398 0.002 . 2 . . . . . . . . 6287 1 509 . 1 1 42 42 PHE HB2 H 1 2.588 0.005 . 2 . . . . . . . . 6287 1 510 . 1 1 42 42 PHE HD1 H 1 7.447 0.003 . 1 . . . . . . . . 6287 1 511 . 1 1 42 42 PHE HD2 H 1 7.447 0.003 . 1 . . . . . . . . 6287 1 512 . 1 1 42 42 PHE HE1 H 1 7.104 0.004 . 1 . . . . . . . . 6287 1 513 . 1 1 42 42 PHE HE2 H 1 7.104 0.004 . 1 . . . . . . . . 6287 1 514 . 1 1 42 42 PHE H H 1 7.936 0.003 . 1 . . . . . . . . 6287 1 515 . 1 1 42 42 PHE N N 15 113.017 0.058 . 1 . . . . . . . . 6287 1 516 . 1 1 42 42 PHE C C 13 174.175 0.3 . 1 . . . . . . . . 6287 1 517 . 1 1 42 42 PHE CD1 C 13 132.657 0.3 . 1 . . . . . . . . 6287 1 518 . 1 1 42 42 PHE CD2 C 13 132.657 0.3 . 1 . . . . . . . . 6287 1 519 . 1 1 42 42 PHE CE1 C 13 130.39 0.3 . 1 . . . . . . . . 6287 1 520 . 1 1 42 42 PHE CE2 C 13 130.39 0.3 . 1 . . . . . . . . 6287 1 521 . 1 1 42 42 PHE CZ C 13 129.198 0.3 . 1 . . . . . . . . 6287 1 522 . 1 1 42 42 PHE HZ H 1 7.14 0.03 . 1 . . . . . . . . 6287 1 523 . 1 1 43 43 SER CA C 13 58.563 0.065 . 1 . . . . . . . . 6287 1 524 . 1 1 43 43 SER CB C 13 61.191 0.041 . 1 . . . . . . . . 6287 1 525 . 1 1 43 43 SER HA H 1 4.04 0.002 . 1 . . . . . . . . 6287 1 526 . 1 1 43 43 SER HB2 H 1 3.974 0.005 . 1 . . . . . . . . 6287 1 527 . 1 1 43 43 SER HB3 H 1 3.974 0.005 . 1 . . . . . . . . 6287 1 528 . 1 1 43 43 SER H H 1 7.556 0.003 . 1 . . . . . . . . 6287 1 529 . 1 1 43 43 SER N N 15 115.467 0.081 . 1 . . . . . . . . 6287 1 530 . 1 1 43 43 SER C C 13 174.253 0.3 . 1 . . . . . . . . 6287 1 531 . 1 1 44 44 MET CA C 13 55.255 0.097 . 1 . . . . . . . . 6287 1 532 . 1 1 44 44 MET CB C 13 35.748 0.164 . 1 . . . . . . . . 6287 1 533 . 1 1 44 44 MET CE C 13 17.116 0.049 . 1 . . . . . . . . 6287 1 534 . 1 1 44 44 MET CG C 13 31.8 0.058 . 1 . . . . . . . . 6287 1 535 . 1 1 44 44 MET HA H 1 4.577 0.002 . 1 . . . . . . . . 6287 1 536 . 1 1 44 44 MET HB3 H 1 2.221 0.01 . 2 . . . . . . . . 6287 1 537 . 1 1 44 44 MET HB2 H 1 1.761 0.004 . 2 . . . . . . . . 6287 1 538 . 1 1 44 44 MET HE1 H 1 2.03 0.004 . 1 . . . . . . . . 6287 1 539 . 1 1 44 44 MET HE2 H 1 2.03 0.004 . 1 . . . . . . . . 6287 1 540 . 1 1 44 44 MET HE3 H 1 2.03 0.004 . 1 . . . . . . . . 6287 1 541 . 1 1 44 44 MET HG3 H 1 2.564 0.007 . 2 . . . . . . . . 6287 1 542 . 1 1 44 44 MET HG2 H 1 2.437 0.004 . 2 . . . . . . . . 6287 1 543 . 1 1 44 44 MET H H 1 8.792 0.004 . 1 . . . . . . . . 6287 1 544 . 1 1 44 44 MET N N 15 118.642 0.077 . 1 . . . . . . . . 6287 1 545 . 1 1 44 44 MET C C 13 176.089 0.3 . 1 . . . . . . . . 6287 1 546 . 1 1 45 45 THR CA C 13 60.963 0.085 . 1 . . . . . . . . 6287 1 547 . 1 1 45 45 THR CB C 13 70.471 0.204 . 1 . . . . . . . . 6287 1 548 . 1 1 45 45 THR CG2 C 13 21.246 0.053 . 1 . . . . . . . . 6287 1 549 . 1 1 45 45 THR HA H 1 4.466 0.001 . 1 . . . . . . . . 6287 1 550 . 1 1 45 45 THR HB H 1 4.274 0.003 . 1 . . . . . . . . 6287 1 551 . 1 1 45 45 THR HG21 H 1 1.11 0.008 . 1 . . . . . . . . 6287 1 552 . 1 1 45 45 THR HG22 H 1 1.11 0.008 . 1 . . . . . . . . 6287 1 553 . 1 1 45 45 THR HG23 H 1 1.11 0.008 . 1 . . . . . . . . 6287 1 554 . 1 1 45 45 THR H H 1 8.2 0.003 . 1 . . . . . . . . 6287 1 555 . 1 1 45 45 THR N N 15 110.91 0.069 . 1 . . . . . . . . 6287 1 556 . 1 1 45 45 THR C C 13 174.254 0.3 . 1 . . . . . . . . 6287 1 557 . 1 1 46 46 ASP CA C 13 54.912 0.128 . 1 . . . . . . . . 6287 1 558 . 1 1 46 46 ASP CB C 13 39.904 0.077 . 1 . . . . . . . . 6287 1 559 . 1 1 46 46 ASP HA H 1 4.457 0.002 . 1 . . . . . . . . 6287 1 560 . 1 1 46 46 ASP HB3 H 1 2.759 0.003 . 2 . . . . . . . . 6287 1 561 . 1 1 46 46 ASP HB2 H 1 2.656 0.001 . 2 . . . . . . . . 6287 1 562 . 1 1 46 46 ASP H H 1 8.429 0.004 . 1 . . . . . . . . 6287 1 563 . 1 1 46 46 ASP N N 15 118.671 0.086 . 1 . . . . . . . . 6287 1 564 . 1 1 46 46 ASP C C 13 174.785 0.3 . 1 . . . . . . . . 6287 1 565 . 1 1 47 47 ILE CA C 13 59.394 0.082 . 1 . . . . . . . . 6287 1 566 . 1 1 47 47 ILE CB C 13 39.261 0.101 . 1 . . . . . . . . 6287 1 567 . 1 1 47 47 ILE CD1 C 13 11.786 0.058 . 1 . . . . . . . . 6287 1 568 . 1 1 47 47 ILE CG1 C 13 26.893 0.085 . 1 . . . . . . . . 6287 1 569 . 1 1 47 47 ILE CG2 C 13 16.877 0.059 . 1 . . . . . . . . 6287 1 570 . 1 1 47 47 ILE HA H 1 4.126 0.001 . 1 . . . . . . . . 6287 1 571 . 1 1 47 47 ILE HB H 1 1.766 0.005 . 1 . . . . . . . . 6287 1 572 . 1 1 47 47 ILE HD11 H 1 0.623 0.01 . 1 . . . . . . . . 6287 1 573 . 1 1 47 47 ILE HD12 H 1 0.623 0.01 . 1 . . . . . . . . 6287 1 574 . 1 1 47 47 ILE HD13 H 1 0.623 0.01 . 1 . . . . . . . . 6287 1 575 . 1 1 47 47 ILE HG12 H 1 1.226 0.007 . 2 . . . . . . . . 6287 1 576 . 1 1 47 47 ILE HG13 H 1 1.094 0.004 . 2 . . . . . . . . 6287 1 577 . 1 1 47 47 ILE HG21 H 1 0.589 0.009 . 1 . . . . . . . . 6287 1 578 . 1 1 47 47 ILE HG22 H 1 0.589 0.009 . 1 . . . . . . . . 6287 1 579 . 1 1 47 47 ILE HG23 H 1 0.589 0.009 . 1 . . . . . . . . 6287 1 580 . 1 1 47 47 ILE H H 1 7.177 0.002 . 1 . . . . . . . . 6287 1 581 . 1 1 47 47 ILE N N 15 118.472 0.08 . 1 . . . . . . . . 6287 1 582 . 1 1 47 47 ILE C C 13 174.638 0.3 . 1 . . . . . . . . 6287 1 583 . 1 1 48 48 ASP CA C 13 52.733 0.075 . 1 . . . . . . . . 6287 1 584 . 1 1 48 48 ASP CB C 13 40.553 0.077 . 1 . . . . . . . . 6287 1 585 . 1 1 48 48 ASP HA H 1 4.709 0.003 . 1 . . . . . . . . 6287 1 586 . 1 1 48 48 ASP HB3 H 1 2.991 0.006 . 2 . . . . . . . . 6287 1 587 . 1 1 48 48 ASP HB2 H 1 2.626 0.004 . 2 . . . . . . . . 6287 1 588 . 1 1 48 48 ASP H H 1 8.371 0.003 . 1 . . . . . . . . 6287 1 589 . 1 1 48 48 ASP N N 15 125.723 0.129 . 1 . . . . . . . . 6287 1 590 . 1 1 48 48 ASP C C 13 176.666 0.3 . 1 . . . . . . . . 6287 1 591 . 1 1 49 49 LEU CA C 13 57.09 0.091 . 1 . . . . . . . . 6287 1 592 . 1 1 49 49 LEU CB C 13 41.47 0.097 . 1 . . . . . . . . 6287 1 593 . 1 1 49 49 LEU CD1 C 13 25.197 0.048 . 1 . . . . . . . . 6287 1 594 . 1 1 49 49 LEU CD2 C 13 23.702 0.059 . 1 . . . . . . . . 6287 1 595 . 1 1 49 49 LEU CG C 13 27.228 0.09 . 1 . . . . . . . . 6287 1 596 . 1 1 49 49 LEU HA H 1 3.98 0.002 . 1 . . . . . . . . 6287 1 597 . 1 1 49 49 LEU HB3 H 1 1.741 0.003 . 2 . . . . . . . . 6287 1 598 . 1 1 49 49 LEU HB2 H 1 1.606 0.007 . 2 . . . . . . . . 6287 1 599 . 1 1 49 49 LEU HD11 H 1 0.891 0.008 . 2 . . . . . . . . 6287 1 600 . 1 1 49 49 LEU HD12 H 1 0.891 0.008 . 2 . . . . . . . . 6287 1 601 . 1 1 49 49 LEU HD13 H 1 0.891 0.008 . 2 . . . . . . . . 6287 1 602 . 1 1 49 49 LEU HD21 H 1 0.783 0.01 . 2 . . . . . . . . 6287 1 603 . 1 1 49 49 LEU HD22 H 1 0.783 0.01 . 2 . . . . . . . . 6287 1 604 . 1 1 49 49 LEU HD23 H 1 0.783 0.01 . 2 . . . . . . . . 6287 1 605 . 1 1 49 49 LEU HG H 1 1.741 0.007 . 1 . . . . . . . . 6287 1 606 . 1 1 49 49 LEU H H 1 8.665 0.003 . 1 . . . . . . . . 6287 1 607 . 1 1 49 49 LEU N N 15 126.775 0.15 . 1 . . . . . . . . 6287 1 608 . 1 1 49 49 LEU C C 13 179.088 0.3 . 1 . . . . . . . . 6287 1 609 . 1 1 50 50 THR CA C 13 65.471 0.109 . 1 . . . . . . . . 6287 1 610 . 1 1 50 50 THR CB C 13 68.871 0.053 . 1 . . . . . . . . 6287 1 611 . 1 1 50 50 THR CG2 C 13 21.549 0.119 . 1 . . . . . . . . 6287 1 612 . 1 1 50 50 THR HB H 1 4.278 0.003 . 1 . . . . . . . . 6287 1 613 . 1 1 50 50 THR HG21 H 1 1.347 0.006 . 1 . . . . . . . . 6287 1 614 . 1 1 50 50 THR HG22 H 1 1.347 0.006 . 1 . . . . . . . . 6287 1 615 . 1 1 50 50 THR HG23 H 1 1.347 0.006 . 1 . . . . . . . . 6287 1 616 . 1 1 50 50 THR H H 1 8.442 0.003 . 1 . . . . . . . . 6287 1 617 . 1 1 50 50 THR N N 15 111.193 0.056 . 1 . . . . . . . . 6287 1 618 . 1 1 50 50 THR C C 13 177.024 0.3 . 1 . . . . . . . . 6287 1 619 . 1 1 50 50 THR HA H 1 4.057 0.03 . 1 . . . . . . . . 6287 1 620 . 1 1 51 51 THR CA C 13 62.637 0.064 . 1 . . . . . . . . 6287 1 621 . 1 1 51 51 THR CB C 13 69.061 0.038 . 1 . . . . . . . . 6287 1 622 . 1 1 51 51 THR CG2 C 13 22.192 0.053 . 1 . . . . . . . . 6287 1 623 . 1 1 51 51 THR HG21 H 1 1.273 0.007 . 1 . . . . . . . . 6287 1 624 . 1 1 51 51 THR HG22 H 1 1.273 0.007 . 1 . . . . . . . . 6287 1 625 . 1 1 51 51 THR HG23 H 1 1.273 0.007 . 1 . . . . . . . . 6287 1 626 . 1 1 51 51 THR H H 1 7.415 0.003 . 1 . . . . . . . . 6287 1 627 . 1 1 51 51 THR N N 15 110.484 0.077 . 1 . . . . . . . . 6287 1 628 . 1 1 51 51 THR C C 13 174.556 0.3 . 1 . . . . . . . . 6287 1 629 . 1 1 51 51 THR HA H 1 4.341 0.03 . 1 . . . . . . . . 6287 1 630 . 1 1 51 51 THR HB H 1 4.35 0.03 . 1 . . . . . . . . 6287 1 631 . 1 1 52 52 LEU CA C 13 53.971 0.076 . 1 . . . . . . . . 6287 1 632 . 1 1 52 52 LEU CB C 13 42.459 0.069 . 1 . . . . . . . . 6287 1 633 . 1 1 52 52 LEU CD1 C 13 26.365 0.078 . 1 . . . . . . . . 6287 1 634 . 1 1 52 52 LEU CD2 C 13 22.879 0.058 . 1 . . . . . . . . 6287 1 635 . 1 1 52 52 LEU CG C 13 26.54 0.084 . 1 . . . . . . . . 6287 1 636 . 1 1 52 52 LEU HA H 1 4.541 0.001 . 1 . . . . . . . . 6287 1 637 . 1 1 52 52 LEU HB3 H 1 2.129 0.004 . 2 . . . . . . . . 6287 1 638 . 1 1 52 52 LEU HB2 H 1 1.412 0.005 . 2 . . . . . . . . 6287 1 639 . 1 1 52 52 LEU HD11 H 1 0.866 0.01 . 2 . . . . . . . . 6287 1 640 . 1 1 52 52 LEU HD12 H 1 0.866 0.01 . 2 . . . . . . . . 6287 1 641 . 1 1 52 52 LEU HD13 H 1 0.866 0.01 . 2 . . . . . . . . 6287 1 642 . 1 1 52 52 LEU HD21 H 1 0.843 0.008 . 2 . . . . . . . . 6287 1 643 . 1 1 52 52 LEU HD22 H 1 0.843 0.008 . 2 . . . . . . . . 6287 1 644 . 1 1 52 52 LEU HD23 H 1 0.843 0.008 . 2 . . . . . . . . 6287 1 645 . 1 1 52 52 LEU HG H 1 1.575 0.008 . 1 . . . . . . . . 6287 1 646 . 1 1 52 52 LEU H H 1 7.286 0.003 . 1 . . . . . . . . 6287 1 647 . 1 1 52 52 LEU N N 15 121.92 0.099 . 1 . . . . . . . . 6287 1 648 . 1 1 52 52 LEU C C 13 174.421 0.3 . 1 . . . . . . . . 6287 1 649 . 1 1 53 53 ASN CA C 13 52.029 0.075 . 1 . . . . . . . . 6287 1 650 . 1 1 53 53 ASN CB C 13 37.057 0.076 . 1 . . . . . . . . 6287 1 651 . 1 1 53 53 ASN HB3 H 1 2.977 0.004 . 2 . . . . . . . . 6287 1 652 . 1 1 53 53 ASN HB2 H 1 2.646 0.001 . 2 . . . . . . . . 6287 1 653 . 1 1 53 53 ASN H H 1 7.505 0.003 . 1 . . . . . . . . 6287 1 654 . 1 1 53 53 ASN N N 15 119.777 0.1 . 1 . . . . . . . . 6287 1 655 . 1 1 53 53 ASN ND2 N 15 109.953 0 . 1 . . . . . . . . 6287 1 656 . 1 1 53 53 ASN C C 13 174.743 0.3 . 1 . . . . . . . . 6287 1 657 . 1 1 53 53 ASN HA H 1 4.902 0.03 . 1 . . . . . . . . 6287 1 658 . 1 1 53 53 ASN HD21 H 1 7.353 0.03 . 1 . . . . . . . . 6287 1 659 . 1 1 53 53 ASN HD22 H 1 6.669 0.03 . 1 . . . . . . . . 6287 1 660 . 1 1 54 54 ILE CA C 13 59.31 0.095 . 1 . . . . . . . . 6287 1 661 . 1 1 54 54 ILE CB C 13 41.746 0.102 . 1 . . . . . . . . 6287 1 662 . 1 1 54 54 ILE CD1 C 13 13.162 0.053 . 1 . . . . . . . . 6287 1 663 . 1 1 54 54 ILE CG1 C 13 24.547 0.163 . 1 . . . . . . . . 6287 1 664 . 1 1 54 54 ILE CG2 C 13 17.919 0.077 . 1 . . . . . . . . 6287 1 665 . 1 1 54 54 ILE HA H 1 4.709 0.003 . 1 . . . . . . . . 6287 1 666 . 1 1 54 54 ILE HB H 1 2.049 0.008 . 1 . . . . . . . . 6287 1 667 . 1 1 54 54 ILE HD11 H 1 0.796 0.007 . 1 . . . . . . . . 6287 1 668 . 1 1 54 54 ILE HD12 H 1 0.796 0.007 . 1 . . . . . . . . 6287 1 669 . 1 1 54 54 ILE HD13 H 1 0.796 0.007 . 1 . . . . . . . . 6287 1 670 . 1 1 54 54 ILE HG12 H 1 1.567 0.006 . 2 . . . . . . . . 6287 1 671 . 1 1 54 54 ILE HG13 H 1 0.994 0.007 . 2 . . . . . . . . 6287 1 672 . 1 1 54 54 ILE HG21 H 1 0.849 0.009 . 1 . . . . . . . . 6287 1 673 . 1 1 54 54 ILE HG22 H 1 0.849 0.009 . 1 . . . . . . . . 6287 1 674 . 1 1 54 54 ILE HG23 H 1 0.849 0.009 . 1 . . . . . . . . 6287 1 675 . 1 1 54 54 ILE H H 1 8.132 0.003 . 1 . . . . . . . . 6287 1 676 . 1 1 54 54 ILE N N 15 116.282 0.053 . 1 . . . . . . . . 6287 1 677 . 1 1 54 54 ILE C C 13 172.693 0.3 . 1 . . . . . . . . 6287 1 678 . 1 1 55 55 SER CA C 13 57.817 0.115 . 1 . . . . . . . . 6287 1 679 . 1 1 55 55 SER CB C 13 65.76 0.083 . 1 . . . . . . . . 6287 1 680 . 1 1 55 55 SER HA H 1 4.207 0.016 . 1 . . . . . . . . 6287 1 681 . 1 1 55 55 SER HB2 H 1 4.439 0.021 . 1 . . . . . . . . 6287 1 682 . 1 1 55 55 SER HB3 H 1 4.439 0.021 . 1 . . . . . . . . 6287 1 683 . 1 1 55 55 SER H H 1 8.463 0.004 . 1 . . . . . . . . 6287 1 684 . 1 1 55 55 SER N N 15 113.632 0.074 . 1 . . . . . . . . 6287 1 685 . 1 1 55 55 SER C C 13 175.511 0.3 . 1 . . . . . . . . 6287 1 686 . 1 1 56 56 GLY CA C 13 47.987 0.084 . 1 . . . . . . . . 6287 1 687 . 1 1 56 56 GLY HA3 H 1 4.554 0.002 . 2 . . . . . . . . 6287 1 688 . 1 1 56 56 GLY HA2 H 1 3.586 0.003 . 2 . . . . . . . . 6287 1 689 . 1 1 56 56 GLY H H 1 8.632 0.004 . 1 . . . . . . . . 6287 1 690 . 1 1 56 56 GLY N N 15 108.655 0.083 . 1 . . . . . . . . 6287 1 691 . 1 1 56 56 GLY C C 13 175.946 0.3 . 1 . . . . . . . . 6287 1 692 . 1 1 57 57 ARG CA C 13 59.656 0.091 . 1 . . . . . . . . 6287 1 693 . 1 1 57 57 ARG CB C 13 29.777 0.06 . 1 . . . . . . . . 6287 1 694 . 1 1 57 57 ARG CD C 13 43.063 0.083 . 1 . . . . . . . . 6287 1 695 . 1 1 57 57 ARG CG C 13 26.976 0.033 . 1 . . . . . . . . 6287 1 696 . 1 1 57 57 ARG HA H 1 3.864 0.006 . 1 . . . . . . . . 6287 1 697 . 1 1 57 57 ARG HB3 H 1 1.95 0.006 . 2 . . . . . . . . 6287 1 698 . 1 1 57 57 ARG HB2 H 1 1.768 0.006 . 2 . . . . . . . . 6287 1 699 . 1 1 57 57 ARG HD2 H 1 3.201 0.005 . 1 . . . . . . . . 6287 1 700 . 1 1 57 57 ARG HD3 H 1 3.201 0.005 . 1 . . . . . . . . 6287 1 701 . 1 1 57 57 ARG HG2 H 1 1.617 0.006 . 1 . . . . . . . . 6287 1 702 . 1 1 57 57 ARG HG3 H 1 1.617 0.006 . 1 . . . . . . . . 6287 1 703 . 1 1 57 57 ARG H H 1 8.213 0.003 . 1 . . . . . . . . 6287 1 704 . 1 1 57 57 ARG N N 15 121.907 0.106 . 1 . . . . . . . . 6287 1 705 . 1 1 57 57 ARG C C 13 178.931 0.3 . 1 . . . . . . . . 6287 1 706 . 1 1 58 58 GLU CA C 13 59.094 0.003 . 1 . . . . . . . . 6287 1 707 . 1 1 58 58 GLU CB C 13 29.937 0.085 . 1 . . . . . . . . 6287 1 708 . 1 1 58 58 GLU CG C 13 37.184 0.128 . 1 . . . . . . . . 6287 1 709 . 1 1 58 58 GLU HA H 1 3.972 0.003 . 1 . . . . . . . . 6287 1 710 . 1 1 58 58 GLU HB3 H 1 2.057 0.005 . 2 . . . . . . . . 6287 1 711 . 1 1 58 58 GLU HB2 H 1 2.295 0.003 . 2 . . . . . . . . 6287 1 712 . 1 1 58 58 GLU H H 1 7.49 0.003 . 1 . . . . . . . . 6287 1 713 . 1 1 58 58 GLU N N 15 120.101 0.092 . 1 . . . . . . . . 6287 1 714 . 1 1 58 58 GLU C C 13 179.808 0.3 . 1 . . . . . . . . 6287 1 715 . 1 1 58 58 GLU HG2 H 1 2.257 0.03 . 1 . . . . . . . . 6287 1 716 . 1 1 58 58 GLU HG3 H 1 2.257 0.03 . 1 . . . . . . . . 6287 1 717 . 1 1 59 59 LEU CA C 13 58.605 0.122 . 1 . . . . . . . . 6287 1 718 . 1 1 59 59 LEU CB C 13 42.894 0.086 . 1 . . . . . . . . 6287 1 719 . 1 1 59 59 LEU CD1 C 13 27.252 0.073 . 1 . . . . . . . . 6287 1 720 . 1 1 59 59 LEU CD2 C 13 23.216 0.065 . 1 . . . . . . . . 6287 1 721 . 1 1 59 59 LEU CG C 13 26.69 0.046 . 1 . . . . . . . . 6287 1 722 . 1 1 59 59 LEU HA H 1 4.022 0.003 . 1 . . . . . . . . 6287 1 723 . 1 1 59 59 LEU HB3 H 1 2.215 0.005 . 2 . . . . . . . . 6287 1 724 . 1 1 59 59 LEU HB2 H 1 1.573 0.009 . 2 . . . . . . . . 6287 1 725 . 1 1 59 59 LEU HD11 H 1 0.879 0.009 . 2 . . . . . . . . 6287 1 726 . 1 1 59 59 LEU HD12 H 1 0.879 0.009 . 2 . . . . . . . . 6287 1 727 . 1 1 59 59 LEU HD13 H 1 0.879 0.009 . 2 . . . . . . . . 6287 1 728 . 1 1 59 59 LEU HD21 H 1 1.234 0.008 . 2 . . . . . . . . 6287 1 729 . 1 1 59 59 LEU HD22 H 1 1.234 0.008 . 2 . . . . . . . . 6287 1 730 . 1 1 59 59 LEU HD23 H 1 1.234 0.008 . 2 . . . . . . . . 6287 1 731 . 1 1 59 59 LEU HG H 1 1.577 0.007 . 1 . . . . . . . . 6287 1 732 . 1 1 59 59 LEU H H 1 8.897 0.004 . 1 . . . . . . . . 6287 1 733 . 1 1 59 59 LEU N N 15 122.873 0.112 . 1 . . . . . . . . 6287 1 734 . 1 1 59 59 LEU C C 13 178.629 0.3 . 1 . . . . . . . . 6287 1 735 . 1 1 60 60 CYS CA C 13 62.901 0.139 . 1 . . . . . . . . 6287 1 736 . 1 1 60 60 CYS CB C 13 27.701 0.115 . 1 . . . . . . . . 6287 1 737 . 1 1 60 60 CYS HA H 1 4.065 0.002 . 1 . . . . . . . . 6287 1 738 . 1 1 60 60 CYS HB2 H 1 2.72 0.006 . 1 . . . . . . . . 6287 1 739 . 1 1 60 60 CYS HB3 H 1 2.72 0.006 . 1 . . . . . . . . 6287 1 740 . 1 1 60 60 CYS H H 1 8.154 0.003 . 1 . . . . . . . . 6287 1 741 . 1 1 60 60 CYS N N 15 112.252 0.068 . 1 . . . . . . . . 6287 1 742 . 1 1 60 60 CYS C C 13 174.077 0.3 . 1 . . . . . . . . 6287 1 743 . 1 1 61 61 SER CA C 13 59.011 0.072 . 1 . . . . . . . . 6287 1 744 . 1 1 61 61 SER CB C 13 64.032 0.157 . 1 . . . . . . . . 6287 1 745 . 1 1 61 61 SER HA H 1 4.501 0.002 . 1 . . . . . . . . 6287 1 746 . 1 1 61 61 SER HB2 H 1 4.024 0.003 . 1 . . . . . . . . 6287 1 747 . 1 1 61 61 SER HB3 H 1 4.024 0.003 . 1 . . . . . . . . 6287 1 748 . 1 1 61 61 SER H H 1 7.522 0.004 . 1 . . . . . . . . 6287 1 749 . 1 1 61 61 SER N N 15 114.276 0.071 . 1 . . . . . . . . 6287 1 750 . 1 1 61 61 SER C C 13 174.089 0.3 . 1 . . . . . . . . 6287 1 751 . 1 1 62 62 LEU CA C 13 54.847 0.099 . 1 . . . . . . . . 6287 1 752 . 1 1 62 62 LEU CB C 13 42.592 0.062 . 1 . . . . . . . . 6287 1 753 . 1 1 62 62 LEU CD1 C 13 26.625 0.077 . 1 . . . . . . . . 6287 1 754 . 1 1 62 62 LEU CD2 C 13 22.707 0.169 . 1 . . . . . . . . 6287 1 755 . 1 1 62 62 LEU CG C 13 25.943 0.062 . 1 . . . . . . . . 6287 1 756 . 1 1 62 62 LEU HA H 1 4.585 0.004 . 1 . . . . . . . . 6287 1 757 . 1 1 62 62 LEU HB3 H 1 2.243 0.008 . 2 . . . . . . . . 6287 1 758 . 1 1 62 62 LEU HB2 H 1 1.614 0.007 . 2 . . . . . . . . 6287 1 759 . 1 1 62 62 LEU HD11 H 1 1.021 0.007 . 2 . . . . . . . . 6287 1 760 . 1 1 62 62 LEU HD12 H 1 1.021 0.007 . 2 . . . . . . . . 6287 1 761 . 1 1 62 62 LEU HD13 H 1 1.021 0.007 . 2 . . . . . . . . 6287 1 762 . 1 1 62 62 LEU HD21 H 1 0.863 0.007 . 2 . . . . . . . . 6287 1 763 . 1 1 62 62 LEU HD22 H 1 0.863 0.007 . 2 . . . . . . . . 6287 1 764 . 1 1 62 62 LEU HD23 H 1 0.863 0.007 . 2 . . . . . . . . 6287 1 765 . 1 1 62 62 LEU HG H 1 2.258 0.009 . 1 . . . . . . . . 6287 1 766 . 1 1 62 62 LEU H H 1 7.113 0.002 . 1 . . . . . . . . 6287 1 767 . 1 1 62 62 LEU N N 15 121.738 0.108 . 1 . . . . . . . . 6287 1 768 . 1 1 62 62 LEU C C 13 177.546 0.3 . 1 . . . . . . . . 6287 1 769 . 1 1 63 63 ASN CA C 13 51.487 0.075 . 1 . . . . . . . . 6287 1 770 . 1 1 63 63 ASN CB C 13 38.609 0.056 . 1 . . . . . . . . 6287 1 771 . 1 1 63 63 ASN HA H 1 4.954 0.003 . 1 . . . . . . . . 6287 1 772 . 1 1 63 63 ASN HB3 H 1 3.2 0.003 . 2 . . . . . . . . 6287 1 773 . 1 1 63 63 ASN HB2 H 1 2.98 0.001 . 2 . . . . . . . . 6287 1 774 . 1 1 63 63 ASN H H 1 8.929 0.004 . 1 . . . . . . . . 6287 1 775 . 1 1 63 63 ASN N N 15 121.446 0.101 . 1 . . . . . . . . 6287 1 776 . 1 1 63 63 ASN ND2 N 15 111.545 0 . 1 . . . . . . . . 6287 1 777 . 1 1 63 63 ASN C C 13 174.9 0.3 . 1 . . . . . . . . 6287 1 778 . 1 1 63 63 ASN HD21 H 1 7.424 0.03 . 1 . . . . . . . . 6287 1 779 . 1 1 63 63 ASN HD22 H 1 6.846 0.03 . 1 . . . . . . . . 6287 1 780 . 1 1 64 64 GLN CA C 13 59.921 0.114 . 1 . . . . . . . . 6287 1 781 . 1 1 64 64 GLN CB C 13 28.649 0.099 . 1 . . . . . . . . 6287 1 782 . 1 1 64 64 GLN CD C 13 179.658 0.006 . 1 . . . . . . . . 6287 1 783 . 1 1 64 64 GLN CG C 13 33.292 0.032 . 1 . . . . . . . . 6287 1 784 . 1 1 64 64 GLN HA H 1 2.241 0.006 . 1 . . . . . . . . 6287 1 785 . 1 1 64 64 GLN HB2 H 1 1.562 0.006 . 1 . . . . . . . . 6287 1 786 . 1 1 64 64 GLN HB3 H 1 1.562 0.006 . 1 . . . . . . . . 6287 1 787 . 1 1 64 64 GLN HG3 H 1 1.436 0.004 . 2 . . . . . . . . 6287 1 788 . 1 1 64 64 GLN HG2 H 1 0.781 0.008 . 2 . . . . . . . . 6287 1 789 . 1 1 64 64 GLN H H 1 8.495 0.003 . 1 . . . . . . . . 6287 1 790 . 1 1 64 64 GLN HE21 H 1 6.349 0.002 . 1 . . . . . . . . 6287 1 791 . 1 1 64 64 GLN HE22 H 1 6.756 0.002 . 1 . . . . . . . . 6287 1 792 . 1 1 64 64 GLN N N 15 119.834 0.082 . 1 . . . . . . . . 6287 1 793 . 1 1 64 64 GLN NE2 N 15 110.643 0.238 . 1 . . . . . . . . 6287 1 794 . 1 1 64 64 GLN C C 13 176.898 0.3 . 1 . . . . . . . . 6287 1 795 . 1 1 65 65 GLU CA C 13 59.857 0.087 . 1 . . . . . . . . 6287 1 796 . 1 1 65 65 GLU CB C 13 28.829 0.054 . 1 . . . . . . . . 6287 1 797 . 1 1 65 65 GLU CG C 13 36.668 0.122 . 1 . . . . . . . . 6287 1 798 . 1 1 65 65 GLU HA H 1 3.884 0.003 . 1 . . . . . . . . 6287 1 799 . 1 1 65 65 GLU HB2 H 1 1.973 0.003 . 1 . . . . . . . . 6287 1 800 . 1 1 65 65 GLU HB3 H 1 1.973 0.003 . 1 . . . . . . . . 6287 1 801 . 1 1 65 65 GLU HG2 H 1 2.265 0.005 . 1 . . . . . . . . 6287 1 802 . 1 1 65 65 GLU HG3 H 1 2.265 0.005 . 1 . . . . . . . . 6287 1 803 . 1 1 65 65 GLU H H 1 8.226 0.004 . 1 . . . . . . . . 6287 1 804 . 1 1 65 65 GLU N N 15 117.274 0.08 . 1 . . . . . . . . 6287 1 805 . 1 1 65 65 GLU C C 13 179.477 0.3 . 1 . . . . . . . . 6287 1 806 . 1 1 66 66 ASP CA C 13 56.935 0.09 . 1 . . . . . . . . 6287 1 807 . 1 1 66 66 ASP CB C 13 41.166 0.08 . 1 . . . . . . . . 6287 1 808 . 1 1 66 66 ASP HA H 1 4.394 0.001 . 1 . . . . . . . . 6287 1 809 . 1 1 66 66 ASP HB3 H 1 2.844 0.004 . 2 . . . . . . . . 6287 1 810 . 1 1 66 66 ASP HB2 H 1 2.704 0.005 . 2 . . . . . . . . 6287 1 811 . 1 1 66 66 ASP H H 1 8.318 0.005 . 1 . . . . . . . . 6287 1 812 . 1 1 66 66 ASP N N 15 120.084 0.107 . 1 . . . . . . . . 6287 1 813 . 1 1 66 66 ASP C C 13 179.389 0.3 . 1 . . . . . . . . 6287 1 814 . 1 1 67 67 PHE CA C 13 62.868 0.083 . 1 . . . . . . . . 6287 1 815 . 1 1 67 67 PHE CB C 13 39.637 0.062 . 1 . . . . . . . . 6287 1 816 . 1 1 67 67 PHE HA H 1 3.899 0.002 . 1 . . . . . . . . 6287 1 817 . 1 1 67 67 PHE HB3 H 1 2.903 0.004 . 2 . . . . . . . . 6287 1 818 . 1 1 67 67 PHE HB2 H 1 2.805 0.003 . 2 . . . . . . . . 6287 1 819 . 1 1 67 67 PHE HD1 H 1 6.931 0.004 . 1 . . . . . . . . 6287 1 820 . 1 1 67 67 PHE HD2 H 1 6.931 0.004 . 1 . . . . . . . . 6287 1 821 . 1 1 67 67 PHE HE1 H 1 7.405 0.003 . 1 . . . . . . . . 6287 1 822 . 1 1 67 67 PHE HE2 H 1 7.405 0.003 . 1 . . . . . . . . 6287 1 823 . 1 1 67 67 PHE H H 1 8.728 0.003 . 1 . . . . . . . . 6287 1 824 . 1 1 67 67 PHE N N 15 122.445 0.117 . 1 . . . . . . . . 6287 1 825 . 1 1 67 67 PHE C C 13 177.157 0.3 . 1 . . . . . . . . 6287 1 826 . 1 1 67 67 PHE CD1 C 13 132.28 0.3 . 1 . . . . . . . . 6287 1 827 . 1 1 67 67 PHE CD2 C 13 132.28 0.3 . 1 . . . . . . . . 6287 1 828 . 1 1 67 67 PHE CE1 C 13 130.884 0.3 . 1 . . . . . . . . 6287 1 829 . 1 1 67 67 PHE CE2 C 13 130.884 0.3 . 1 . . . . . . . . 6287 1 830 . 1 1 67 67 PHE CZ C 13 128.487 0.3 . 1 . . . . . . . . 6287 1 831 . 1 1 67 67 PHE HZ H 1 7.32 0.03 . 1 . . . . . . . . 6287 1 832 . 1 1 68 68 PHE CA C 13 59.041 0.088 . 1 . . . . . . . . 6287 1 833 . 1 1 68 68 PHE CB C 13 37.848 0.082 . 1 . . . . . . . . 6287 1 834 . 1 1 68 68 PHE HB3 H 1 3.219 0.002 . 2 . . . . . . . . 6287 1 835 . 1 1 68 68 PHE HB2 H 1 3.034 0.001 . 2 . . . . . . . . 6287 1 836 . 1 1 68 68 PHE HD1 H 1 7.427 0.003 . 1 . . . . . . . . 6287 1 837 . 1 1 68 68 PHE HD2 H 1 7.427 0.003 . 1 . . . . . . . . 6287 1 838 . 1 1 68 68 PHE HE1 H 1 7.028 0.006 . 1 . . . . . . . . 6287 1 839 . 1 1 68 68 PHE HE2 H 1 7.028 0.006 . 1 . . . . . . . . 6287 1 840 . 1 1 68 68 PHE H H 1 8.357 0.003 . 1 . . . . . . . . 6287 1 841 . 1 1 68 68 PHE N N 15 116.475 0.084 . 1 . . . . . . . . 6287 1 842 . 1 1 68 68 PHE C C 13 177.889 0.3 . 1 . . . . . . . . 6287 1 843 . 1 1 68 68 PHE CD1 C 13 131.391 0.3 . 1 . . . . . . . . 6287 1 844 . 1 1 68 68 PHE CD2 C 13 131.391 0.3 . 1 . . . . . . . . 6287 1 845 . 1 1 68 68 PHE CE1 C 13 130.476 0.3 . 1 . . . . . . . . 6287 1 846 . 1 1 68 68 PHE CE2 C 13 130.476 0.3 . 1 . . . . . . . . 6287 1 847 . 1 1 68 68 PHE CZ C 13 128.893 0.3 . 1 . . . . . . . . 6287 1 848 . 1 1 68 68 PHE HA H 1 4.398 0.03 . 1 . . . . . . . . 6287 1 849 . 1 1 68 68 PHE HZ H 1 7.191 0.03 . 1 . . . . . . . . 6287 1 850 . 1 1 69 69 GLN CA C 13 58.518 0.398 . 1 . . . . . . . . 6287 1 851 . 1 1 69 69 GLN CB C 13 28.654 0.094 . 1 . . . . . . . . 6287 1 852 . 1 1 69 69 GLN CG C 13 34.157 0.094 . 1 . . . . . . . . 6287 1 853 . 1 1 69 69 GLN HA H 1 4.13 0.005 . 1 . . . . . . . . 6287 1 854 . 1 1 69 69 GLN HB2 H 1 2.227 0.005 . 1 . . . . . . . . 6287 1 855 . 1 1 69 69 GLN HB3 H 1 2.227 0.005 . 1 . . . . . . . . 6287 1 856 . 1 1 69 69 GLN HG3 H 1 2.585 0.005 . 2 . . . . . . . . 6287 1 857 . 1 1 69 69 GLN HG2 H 1 2.456 0.001 . 2 . . . . . . . . 6287 1 858 . 1 1 69 69 GLN H H 1 7.658 0.003 . 1 . . . . . . . . 6287 1 859 . 1 1 69 69 GLN HE21 H 1 7.473 0.006 . 1 . . . . . . . . 6287 1 860 . 1 1 69 69 GLN N N 15 117.875 0.08 . 1 . . . . . . . . 6287 1 861 . 1 1 69 69 GLN NE2 N 15 112.008 0.001 . 1 . . . . . . . . 6287 1 862 . 1 1 69 69 GLN HE22 H 1 6.794 0.03 . 1 . . . . . . . . 6287 1 863 . 1 1 70 70 ARG CA C 13 57.997 0.081 . 1 . . . . . . . . 6287 1 864 . 1 1 70 70 ARG CB C 13 31.244 0.237 . 1 . . . . . . . . 6287 1 865 . 1 1 70 70 ARG CD C 13 43.429 0.084 . 1 . . . . . . . . 6287 1 866 . 1 1 70 70 ARG CG C 13 28.166 0.073 . 1 . . . . . . . . 6287 1 867 . 1 1 70 70 ARG HA H 1 4.157 0.007 . 1 . . . . . . . . 6287 1 868 . 1 1 70 70 ARG HB2 H 1 1.759 0.003 . 1 . . . . . . . . 6287 1 869 . 1 1 70 70 ARG HB3 H 1 1.759 0.003 . 1 . . . . . . . . 6287 1 870 . 1 1 70 70 ARG HD3 H 1 3.172 0.007 . 2 . . . . . . . . 6287 1 871 . 1 1 70 70 ARG HD2 H 1 2.966 0.006 . 2 . . . . . . . . 6287 1 872 . 1 1 70 70 ARG HG3 H 1 1.789 0.009 . 2 . . . . . . . . 6287 1 873 . 1 1 70 70 ARG HG2 H 1 1.657 0.013 . 2 . . . . . . . . 6287 1 874 . 1 1 70 70 ARG H H 1 7.308 0.004 . 1 . . . . . . . . 6287 1 875 . 1 1 70 70 ARG N N 15 117.666 0.111 . 1 . . . . . . . . 6287 1 876 . 1 1 70 70 ARG C C 13 176.463 0.3 . 1 . . . . . . . . 6287 1 877 . 1 1 71 71 VAL CA C 13 58.447 0.027 . 1 . . . . . . . . 6287 1 878 . 1 1 71 71 VAL CB C 13 31.114 0.06 . 1 . . . . . . . . 6287 1 879 . 1 1 71 71 VAL CG1 C 13 19.694 0.049 . 1 . . . . . . . . 6287 1 880 . 1 1 71 71 VAL CG2 C 13 22.483 0.058 . 1 . . . . . . . . 6287 1 881 . 1 1 71 71 VAL HA H 1 4.241 0.001 . 1 . . . . . . . . 6287 1 882 . 1 1 71 71 VAL HB H 1 1.736 0.008 . 1 . . . . . . . . 6287 1 883 . 1 1 71 71 VAL HG11 H 1 0.35 0.009 . 1 . . . . . . . . 6287 1 884 . 1 1 71 71 VAL HG12 H 1 0.35 0.009 . 1 . . . . . . . . 6287 1 885 . 1 1 71 71 VAL HG13 H 1 0.35 0.009 . 1 . . . . . . . . 6287 1 886 . 1 1 71 71 VAL HG21 H 1 0.675 0.008 . 1 . . . . . . . . 6287 1 887 . 1 1 71 71 VAL HG22 H 1 0.675 0.008 . 1 . . . . . . . . 6287 1 888 . 1 1 71 71 VAL HG23 H 1 0.675 0.008 . 1 . . . . . . . . 6287 1 889 . 1 1 71 71 VAL H H 1 8.245 0.002 . 1 . . . . . . . . 6287 1 890 . 1 1 71 71 VAL N N 15 118.385 0.111 . 1 . . . . . . . . 6287 1 891 . 1 1 72 72 PRO CA C 13 64.77 0.092 . 1 . . . . . . . . 6287 1 892 . 1 1 72 72 PRO CB C 13 31.88 0.055 . 1 . . . . . . . . 6287 1 893 . 1 1 72 72 PRO CD C 13 50.029 0.087 . 1 . . . . . . . . 6287 1 894 . 1 1 72 72 PRO CG C 13 27.482 0.082 . 1 . . . . . . . . 6287 1 895 . 1 1 72 72 PRO HA H 1 4.665 0.003 . 1 . . . . . . . . 6287 1 896 . 1 1 72 72 PRO HB3 H 1 2.414 0.003 . 2 . . . . . . . . 6287 1 897 . 1 1 72 72 PRO HB2 H 1 1.875 0.005 . 2 . . . . . . . . 6287 1 898 . 1 1 72 72 PRO HD3 H 1 3.623 0.002 . 2 . . . . . . . . 6287 1 899 . 1 1 72 72 PRO HD2 H 1 3.36 0.005 . 2 . . . . . . . . 6287 1 900 . 1 1 72 72 PRO HG2 H 1 2.044 0.003 . 1 . . . . . . . . 6287 1 901 . 1 1 72 72 PRO HG3 H 1 2.044 0.003 . 1 . . . . . . . . 6287 1 902 . 1 1 72 72 PRO C C 13 178.538 0.3 . 1 . . . . . . . . 6287 1 903 . 1 1 73 73 ARG C C 13 177.933 0.3 . 1 . . . . . . . . 6287 1 904 . 1 1 73 73 ARG CA C 13 55.23 0.102 . 1 . . . . . . . . 6287 1 905 . 1 1 73 73 ARG CB C 13 27.493 0.3 . 1 . . . . . . . . 6287 1 906 . 1 1 73 73 ARG CD C 13 42.957 0.3 . 1 . . . . . . . . 6287 1 907 . 1 1 73 73 ARG HA H 1 4.654 0.03 . 1 . . . . . . . . 6287 1 908 . 1 1 73 73 ARG HD2 H 1 3.287 0.03 . 1 . . . . . . . . 6287 1 909 . 1 1 73 73 ARG HD3 H 1 3.287 0.03 . 1 . . . . . . . . 6287 1 910 . 1 1 73 73 ARG HG2 H 1 1.669 0.03 . 1 . . . . . . . . 6287 1 911 . 1 1 73 73 ARG HG3 H 1 1.669 0.03 . 1 . . . . . . . . 6287 1 912 . 1 1 73 73 ARG H H 1 8.464 0.003 . 1 . . . . . . . . 6287 1 913 . 1 1 73 73 ARG N N 15 115.282 0.066 . 1 . . . . . . . . 6287 1 914 . 1 1 74 74 GLY CA C 13 47.113 0.081 . 1 . . . . . . . . 6287 1 915 . 1 1 74 74 GLY HA3 H 1 4.174 0.002 . 2 . . . . . . . . 6287 1 916 . 1 1 74 74 GLY HA2 H 1 3.677 0.002 . 2 . . . . . . . . 6287 1 917 . 1 1 74 74 GLY H H 1 7.962 0.003 . 1 . . . . . . . . 6287 1 918 . 1 1 74 74 GLY N N 15 105.595 0.094 . 1 . . . . . . . . 6287 1 919 . 1 1 74 74 GLY C C 13 174.848 0.3 . 1 . . . . . . . . 6287 1 920 . 1 1 75 75 GLU CA C 13 61.875 0.101 . 1 . . . . . . . . 6287 1 921 . 1 1 75 75 GLU CB C 13 28.733 0.154 . 1 . . . . . . . . 6287 1 922 . 1 1 75 75 GLU CG C 13 36.695 0.158 . 1 . . . . . . . . 6287 1 923 . 1 1 75 75 GLU HA H 1 4.27 0.003 . 1 . . . . . . . . 6287 1 924 . 1 1 75 75 GLU HB3 H 1 2.262 0.026 . 2 . . . . . . . . 6287 1 925 . 1 1 75 75 GLU HB2 H 1 2.147 0.005 . 2 . . . . . . . . 6287 1 926 . 1 1 75 75 GLU HG3 H 1 2.335 0.013 . 2 . . . . . . . . 6287 1 927 . 1 1 75 75 GLU HG2 H 1 2.418 0.005 . 2 . . . . . . . . 6287 1 928 . 1 1 75 75 GLU H H 1 9.45 0.004 . 1 . . . . . . . . 6287 1 929 . 1 1 75 75 GLU N N 15 124.842 0.131 . 1 . . . . . . . . 6287 1 930 . 1 1 75 75 GLU C C 13 178.715 0.3 . 1 . . . . . . . . 6287 1 931 . 1 1 76 76 ILE CA C 13 64.581 0.086 . 1 . . . . . . . . 6287 1 932 . 1 1 76 76 ILE CB C 13 37.51 0.091 . 1 . . . . . . . . 6287 1 933 . 1 1 76 76 ILE CD1 C 13 17 0.07 . 1 . . . . . . . . 6287 1 934 . 1 1 76 76 ILE CG1 C 13 29.124 0.092 . 1 . . . . . . . . 6287 1 935 . 1 1 76 76 ILE CG2 C 13 12.853 0.045 . 1 . . . . . . . . 6287 1 936 . 1 1 76 76 ILE HA H 1 3.72 0.003 . 1 . . . . . . . . 6287 1 937 . 1 1 76 76 ILE HB H 1 1.592 0.004 . 1 . . . . . . . . 6287 1 938 . 1 1 76 76 ILE HD11 H 1 0.107 0.01 . 1 . . . . . . . . 6287 1 939 . 1 1 76 76 ILE HD12 H 1 0.107 0.01 . 1 . . . . . . . . 6287 1 940 . 1 1 76 76 ILE HD13 H 1 0.107 0.01 . 1 . . . . . . . . 6287 1 941 . 1 1 76 76 ILE HG12 H 1 1.5 0.01 . 2 . . . . . . . . 6287 1 942 . 1 1 76 76 ILE HG13 H 1 0.908 0.008 . 2 . . . . . . . . 6287 1 943 . 1 1 76 76 ILE HG21 H 1 0.72 0.006 . 1 . . . . . . . . 6287 1 944 . 1 1 76 76 ILE HG22 H 1 0.72 0.006 . 1 . . . . . . . . 6287 1 945 . 1 1 76 76 ILE HG23 H 1 0.72 0.006 . 1 . . . . . . . . 6287 1 946 . 1 1 76 76 ILE H H 1 9.029 0.006 . 1 . . . . . . . . 6287 1 947 . 1 1 76 76 ILE N N 15 119.596 0.086 . 1 . . . . . . . . 6287 1 948 . 1 1 76 76 ILE C C 13 178.18 0.3 . 1 . . . . . . . . 6287 1 949 . 1 1 77 77 LEU CA C 13 58.499 0.098 . 1 . . . . . . . . 6287 1 950 . 1 1 77 77 LEU CB C 13 42.387 0.08 . 1 . . . . . . . . 6287 1 951 . 1 1 77 77 LEU CD1 C 13 26.616 0.052 . 1 . . . . . . . . 6287 1 952 . 1 1 77 77 LEU CD2 C 13 24.16 0.068 . 1 . . . . . . . . 6287 1 953 . 1 1 77 77 LEU CG C 13 28.119 0.099 . 1 . . . . . . . . 6287 1 954 . 1 1 77 77 LEU HA H 1 4.067 0.005 . 1 . . . . . . . . 6287 1 955 . 1 1 77 77 LEU HB3 H 1 2.216 0.005 . 2 . . . . . . . . 6287 1 956 . 1 1 77 77 LEU HB2 H 1 1.99 0.003 . 2 . . . . . . . . 6287 1 957 . 1 1 77 77 LEU HD11 H 1 0.806 0.007 . 2 . . . . . . . . 6287 1 958 . 1 1 77 77 LEU HD12 H 1 0.806 0.007 . 2 . . . . . . . . 6287 1 959 . 1 1 77 77 LEU HD13 H 1 0.806 0.007 . 2 . . . . . . . . 6287 1 960 . 1 1 77 77 LEU HD21 H 1 0.359 0.009 . 2 . . . . . . . . 6287 1 961 . 1 1 77 77 LEU HD22 H 1 0.359 0.009 . 2 . . . . . . . . 6287 1 962 . 1 1 77 77 LEU HD23 H 1 0.359 0.009 . 2 . . . . . . . . 6287 1 963 . 1 1 77 77 LEU HG H 1 1.461 0.008 . 1 . . . . . . . . 6287 1 964 . 1 1 77 77 LEU H H 1 6.972 0.003 . 1 . . . . . . . . 6287 1 965 . 1 1 77 77 LEU N N 15 118.648 0.082 . 1 . . . . . . . . 6287 1 966 . 1 1 77 77 LEU C C 13 177.798 0.3 . 1 . . . . . . . . 6287 1 967 . 1 1 78 78 TRP CA C 13 60.126 0.077 . 1 . . . . . . . . 6287 1 968 . 1 1 78 78 TRP CB C 13 29.894 0.083 . 1 . . . . . . . . 6287 1 969 . 1 1 78 78 TRP CD1 C 13 126.954 0 . 1 . . . . . . . . 6287 1 970 . 1 1 78 78 TRP CE3 C 13 119.903 0 . 1 . . . . . . . . 6287 1 971 . 1 1 78 78 TRP CH2 C 13 124.469 0 . 1 . . . . . . . . 6287 1 972 . 1 1 78 78 TRP CZ2 C 13 114.056 0 . 1 . . . . . . . . 6287 1 973 . 1 1 78 78 TRP CZ3 C 13 122.208 0 . 1 . . . . . . . . 6287 1 974 . 1 1 78 78 TRP HA H 1 3.792 0.002 . 1 . . . . . . . . 6287 1 975 . 1 1 78 78 TRP HB3 H 1 3.35 0.003 . 1 . . . . . . . . 6287 1 976 . 1 1 78 78 TRP HB2 H 1 3.08 0.002 . 1 . . . . . . . . 6287 1 977 . 1 1 78 78 TRP HD1 H 1 7.24 0.004 . 1 . . . . . . . . 6287 1 978 . 1 1 78 78 TRP H H 1 8.398 0.004 . 1 . . . . . . . . 6287 1 979 . 1 1 78 78 TRP HE1 H 1 9.901 0.004 . 1 . . . . . . . . 6287 1 980 . 1 1 78 78 TRP HE3 H 1 5.986 0.03 . 1 . . . . . . . . 6287 1 981 . 1 1 78 78 TRP HH2 H 1 7.084 0.03 . 1 . . . . . . . . 6287 1 982 . 1 1 78 78 TRP HZ2 H 1 7.349 0.03 . 1 . . . . . . . . 6287 1 983 . 1 1 78 78 TRP HZ3 H 1 6.715 0.03 . 1 . . . . . . . . 6287 1 984 . 1 1 79 79 SER CA C 13 61.591 0.065 . 1 . . . . . . . . 6287 1 985 . 1 1 79 79 SER CB C 13 63.049 0.152 . 1 . . . . . . . . 6287 1 986 . 1 1 79 79 SER HA H 1 4.136 0.002 . 1 . . . . . . . . 6287 1 987 . 1 1 79 79 SER HB3 H 1 4.027 0.006 . 2 . . . . . . . . 6287 1 988 . 1 1 79 79 SER HB2 H 1 3.962 0.009 . 2 . . . . . . . . 6287 1 989 . 1 1 79 79 SER H H 1 8.267 0.002 . 1 . . . . . . . . 6287 1 990 . 1 1 79 79 SER N N 15 111.921 0.05 . 1 . . . . . . . . 6287 1 991 . 1 1 79 79 SER C C 13 176.594 0.3 . 1 . . . . . . . . 6287 1 992 . 1 1 80 80 HIS CA C 13 62.21 0.124 . 1 . . . . . . . . 6287 1 993 . 1 1 80 80 HIS CB C 13 32.294 0.075 . 1 . . . . . . . . 6287 1 994 . 1 1 80 80 HIS HA H 1 4.272 0.002 . 1 . . . . . . . . 6287 1 995 . 1 1 80 80 HIS HB3 H 1 3.548 0.002 . 2 . . . . . . . . 6287 1 996 . 1 1 80 80 HIS HB2 H 1 3.335 0.002 . 2 . . . . . . . . 6287 1 997 . 1 1 80 80 HIS HD2 H 1 7.213 0.003 . 1 . . . . . . . . 6287 1 998 . 1 1 80 80 HIS H H 1 8.307 0.003 . 1 . . . . . . . . 6287 1 999 . 1 1 80 80 HIS N N 15 122.989 0.122 . 1 . . . . . . . . 6287 1 1000 . 1 1 80 80 HIS C C 13 176.723 0.3 . 1 . . . . . . . . 6287 1 1001 . 1 1 80 80 HIS CD2 C 13 116.046 0.3 . 1 . . . . . . . . 6287 1 1002 . 1 1 80 80 HIS CE1 C 13 136.074 0.3 . 1 . . . . . . . . 6287 1 1003 . 1 1 80 80 HIS HE1 H 1 7.32 0.03 . 1 . . . . . . . . 6287 1 1004 . 1 1 81 81 LEU CA C 13 57.873 0.083 . 1 . . . . . . . . 6287 1 1005 . 1 1 81 81 LEU CB C 13 40.754 0.071 . 1 . . . . . . . . 6287 1 1006 . 1 1 81 81 LEU CD1 C 13 21.53 0.073 . 1 . . . . . . . . 6287 1 1007 . 1 1 81 81 LEU CD2 C 13 25.709 0.057 . 1 . . . . . . . . 6287 1 1008 . 1 1 81 81 LEU CG C 13 26.274 0.032 . 1 . . . . . . . . 6287 1 1009 . 1 1 81 81 LEU HA H 1 3.723 0.003 . 1 . . . . . . . . 6287 1 1010 . 1 1 81 81 LEU HB3 H 1 1.766 0.005 . 2 . . . . . . . . 6287 1 1011 . 1 1 81 81 LEU HB2 H 1 1.596 0.006 . 2 . . . . . . . . 6287 1 1012 . 1 1 81 81 LEU HD11 H 1 0.018 0.009 . 2 . . . . . . . . 6287 1 1013 . 1 1 81 81 LEU HD12 H 1 0.018 0.009 . 2 . . . . . . . . 6287 1 1014 . 1 1 81 81 LEU HD13 H 1 0.018 0.009 . 2 . . . . . . . . 6287 1 1015 . 1 1 81 81 LEU HD21 H 1 0.458 0.009 . 2 . . . . . . . . 6287 1 1016 . 1 1 81 81 LEU HD22 H 1 0.458 0.009 . 2 . . . . . . . . 6287 1 1017 . 1 1 81 81 LEU HD23 H 1 0.458 0.009 . 2 . . . . . . . . 6287 1 1018 . 1 1 81 81 LEU HG H 1 0.974 0.006 . 1 . . . . . . . . 6287 1 1019 . 1 1 81 81 LEU H H 1 8.645 0.004 . 1 . . . . . . . . 6287 1 1020 . 1 1 81 81 LEU N N 15 119.982 0.087 . 1 . . . . . . . . 6287 1 1021 . 1 1 81 81 LEU C C 13 178.293 0.3 . 1 . . . . . . . . 6287 1 1022 . 1 1 82 82 GLU CA C 13 59.306 0.114 . 1 . . . . . . . . 6287 1 1023 . 1 1 82 82 GLU CB C 13 29.723 0.09 . 1 . . . . . . . . 6287 1 1024 . 1 1 82 82 GLU CG C 13 36.627 0.136 . 1 . . . . . . . . 6287 1 1025 . 1 1 82 82 GLU HA H 1 3.513 0.001 . 1 . . . . . . . . 6287 1 1026 . 1 1 82 82 GLU HG2 H 1 1.527 0.003 . 2 . . . . . . . . 6287 1 1027 . 1 1 82 82 GLU HG3 H 1 1.823 0.002 . 2 . . . . . . . . 6287 1 1028 . 1 1 82 82 GLU H H 1 7.896 0.003 . 1 . . . . . . . . 6287 1 1029 . 1 1 82 82 GLU N N 15 117.071 0.072 . 1 . . . . . . . . 6287 1 1030 . 1 1 82 82 GLU C C 13 179.354 0.3 . 1 . . . . . . . . 6287 1 1031 . 1 1 82 82 GLU HB2 H 1 1.766 0.03 . 1 . . . . . . . . 6287 1 1032 . 1 1 82 82 GLU HB3 H 1 1.766 0.03 . 1 . . . . . . . . 6287 1 1033 . 1 1 83 83 LEU CA C 13 57.971 0.16 . 1 . . . . . . . . 6287 1 1034 . 1 1 83 83 LEU CB C 13 42.182 0.094 . 1 . . . . . . . . 6287 1 1035 . 1 1 83 83 LEU CD1 C 13 25.788 0.054 . 1 . . . . . . . . 6287 1 1036 . 1 1 83 83 LEU CD2 C 13 23.75 0.058 . 1 . . . . . . . . 6287 1 1037 . 1 1 83 83 LEU CG C 13 26.643 0.099 . 1 . . . . . . . . 6287 1 1038 . 1 1 83 83 LEU HA H 1 4.053 0.005 . 1 . . . . . . . . 6287 1 1039 . 1 1 83 83 LEU HB3 H 1 1.976 0.011 . 2 . . . . . . . . 6287 1 1040 . 1 1 83 83 LEU HB2 H 1 1.598 0.005 . 2 . . . . . . . . 6287 1 1041 . 1 1 83 83 LEU HD11 H 1 1.015 0.008 . 2 . . . . . . . . 6287 1 1042 . 1 1 83 83 LEU HD12 H 1 1.015 0.008 . 2 . . . . . . . . 6287 1 1043 . 1 1 83 83 LEU HD13 H 1 1.015 0.008 . 2 . . . . . . . . 6287 1 1044 . 1 1 83 83 LEU HD21 H 1 0.958 0.007 . 2 . . . . . . . . 6287 1 1045 . 1 1 83 83 LEU HD22 H 1 0.958 0.007 . 2 . . . . . . . . 6287 1 1046 . 1 1 83 83 LEU HD23 H 1 0.958 0.007 . 2 . . . . . . . . 6287 1 1047 . 1 1 83 83 LEU HG H 1 1.917 0.008 . 1 . . . . . . . . 6287 1 1048 . 1 1 83 83 LEU H H 1 7.436 0.002 . 1 . . . . . . . . 6287 1 1049 . 1 1 83 83 LEU N N 15 118.989 0.09 . 1 . . . . . . . . 6287 1 1050 . 1 1 83 83 LEU C C 13 179.008 0.3 . 1 . . . . . . . . 6287 1 1051 . 1 1 84 84 LEU CA C 13 57.739 0.081 . 1 . . . . . . . . 6287 1 1052 . 1 1 84 84 LEU CB C 13 42.443 0.062 . 1 . . . . . . . . 6287 1 1053 . 1 1 84 84 LEU CD1 C 13 27.389 0.049 . 1 . . . . . . . . 6287 1 1054 . 1 1 84 84 LEU CD2 C 13 23.596 0.067 . 1 . . . . . . . . 6287 1 1055 . 1 1 84 84 LEU CG C 13 26.095 0.045 . 1 . . . . . . . . 6287 1 1056 . 1 1 84 84 LEU HA H 1 3.912 0.002 . 1 . . . . . . . . 6287 1 1057 . 1 1 84 84 LEU HB3 H 1 1.824 0.003 . 2 . . . . . . . . 6287 1 1058 . 1 1 84 84 LEU HB2 H 1 1.187 0.007 . 2 . . . . . . . . 6287 1 1059 . 1 1 84 84 LEU HD11 H 1 0.798 0.006 . 2 . . . . . . . . 6287 1 1060 . 1 1 84 84 LEU HD12 H 1 0.798 0.006 . 2 . . . . . . . . 6287 1 1061 . 1 1 84 84 LEU HD13 H 1 0.798 0.006 . 2 . . . . . . . . 6287 1 1062 . 1 1 84 84 LEU HD21 H 1 0.953 0.007 . 2 . . . . . . . . 6287 1 1063 . 1 1 84 84 LEU HD22 H 1 0.953 0.007 . 2 . . . . . . . . 6287 1 1064 . 1 1 84 84 LEU HD23 H 1 0.953 0.007 . 2 . . . . . . . . 6287 1 1065 . 1 1 84 84 LEU HG H 1 1.598 0.006 . 1 . . . . . . . . 6287 1 1066 . 1 1 84 84 LEU H H 1 8.211 0.003 . 1 . . . . . . . . 6287 1 1067 . 1 1 84 84 LEU N N 15 119.152 0.079 . 1 . . . . . . . . 6287 1 1068 . 1 1 84 84 LEU C C 13 180.147 0.3 . 1 . . . . . . . . 6287 1 1069 . 1 1 85 85 ARG CA C 13 59.254 0.076 . 1 . . . . . . . . 6287 1 1070 . 1 1 85 85 ARG CB C 13 30.52 0.148 . 1 . . . . . . . . 6287 1 1071 . 1 1 85 85 ARG CD C 13 43.713 0.08 . 1 . . . . . . . . 6287 1 1072 . 1 1 85 85 ARG CG C 13 27.514 0.085 . 1 . . . . . . . . 6287 1 1073 . 1 1 85 85 ARG HA H 1 3.744 0.003 . 1 . . . . . . . . 6287 1 1074 . 1 1 85 85 ARG HB3 H 1 1.642 0.013 . 2 . . . . . . . . 6287 1 1075 . 1 1 85 85 ARG HB2 H 1 1.757 0.007 . 2 . . . . . . . . 6287 1 1076 . 1 1 85 85 ARG HD2 H 1 2.812 0.002 . 1 . . . . . . . . 6287 1 1077 . 1 1 85 85 ARG HD3 H 1 2.812 0.002 . 1 . . . . . . . . 6287 1 1078 . 1 1 85 85 ARG HG3 H 1 1.091 0.007 . 2 . . . . . . . . 6287 1 1079 . 1 1 85 85 ARG HG2 H 1 1.848 0.01 . 2 . . . . . . . . 6287 1 1080 . 1 1 85 85 ARG H H 1 8.088 0.003 . 1 . . . . . . . . 6287 1 1081 . 1 1 85 85 ARG N N 15 115.082 0.084 . 1 . . . . . . . . 6287 1 1082 . 1 1 85 85 ARG C C 13 178.156 0.3 . 1 . . . . . . . . 6287 1 1083 . 1 1 86 86 LYS CA C 13 58.326 0.139 . 1 . . . . . . . . 6287 1 1084 . 1 1 86 86 LYS CB C 13 32.318 0.435 . 1 . . . . . . . . 6287 1 1085 . 1 1 86 86 LYS CD C 13 24.85 0.055 . 1 . . . . . . . . 6287 1 1086 . 1 1 86 86 LYS CE C 13 41.908 0.015 . 1 . . . . . . . . 6287 1 1087 . 1 1 86 86 LYS CG C 13 29.261 0.057 . 1 . . . . . . . . 6287 1 1088 . 1 1 86 86 LYS HA H 1 4.014 0.008 . 1 . . . . . . . . 6287 1 1089 . 1 1 86 86 LYS HB3 H 1 1.749 0.009 . 2 . . . . . . . . 6287 1 1090 . 1 1 86 86 LYS HB2 H 1 1.784 0.027 . 2 . . . . . . . . 6287 1 1091 . 1 1 86 86 LYS HD3 H 1 1.433 0.006 . 2 . . . . . . . . 6287 1 1092 . 1 1 86 86 LYS HD2 H 1 1.265 0.006 . 2 . . . . . . . . 6287 1 1093 . 1 1 86 86 LYS HE2 H 1 2.863 0.009 . 1 . . . . . . . . 6287 1 1094 . 1 1 86 86 LYS HE3 H 1 2.863 0.009 . 1 . . . . . . . . 6287 1 1095 . 1 1 86 86 LYS HG2 H 1 1.558 0.006 . 1 . . . . . . . . 6287 1 1096 . 1 1 86 86 LYS HG3 H 1 1.558 0.006 . 1 . . . . . . . . 6287 1 1097 . 1 1 86 86 LYS H H 1 7.882 0.003 . 1 . . . . . . . . 6287 1 1098 . 1 1 86 86 LYS N N 15 119.401 0.1 . 1 . . . . . . . . 6287 1 1099 . 1 1 86 86 LYS C C 13 178.02 0.3 . 1 . . . . . . . . 6287 1 1100 . 1 1 87 87 TYR CA C 13 59.483 0.118 . 1 . . . . . . . . 6287 1 1101 . 1 1 87 87 TYR CB C 13 38.068 0.075 . 1 . . . . . . . . 6287 1 1102 . 1 1 87 87 TYR HA H 1 4.389 0.004 . 1 . . . . . . . . 6287 1 1103 . 1 1 87 87 TYR HB3 H 1 3.119 0.007 . 2 . . . . . . . . 6287 1 1104 . 1 1 87 87 TYR HB2 H 1 2.942 0.012 . 2 . . . . . . . . 6287 1 1105 . 1 1 87 87 TYR HD1 H 1 7.163 0.003 . 1 . . . . . . . . 6287 1 1106 . 1 1 87 87 TYR HD2 H 1 7.163 0.003 . 1 . . . . . . . . 6287 1 1107 . 1 1 87 87 TYR HE1 H 1 6.71 0.004 . 1 . . . . . . . . 6287 1 1108 . 1 1 87 87 TYR HE2 H 1 6.71 0.004 . 1 . . . . . . . . 6287 1 1109 . 1 1 87 87 TYR H H 1 7.789 0.003 . 1 . . . . . . . . 6287 1 1110 . 1 1 87 87 TYR N N 15 118.999 0.091 . 1 . . . . . . . . 6287 1 1111 . 1 1 87 87 TYR CD1 C 13 133.22 0.3 . 1 . . . . . . . . 6287 1 1112 . 1 1 87 87 TYR CD2 C 13 133.22 0.3 . 1 . . . . . . . . 6287 1 1113 . 1 1 87 87 TYR CE1 C 13 117.89 0.3 . 1 . . . . . . . . 6287 1 1114 . 1 1 87 87 TYR CE2 C 13 117.89 0.3 . 1 . . . . . . . . 6287 1 1115 . 1 1 88 88 VAL CA C 13 63.42 0.068 . 1 . . . . . . . . 6287 1 1116 . 1 1 88 88 VAL CB C 13 32.247 0.127 . 1 . . . . . . . . 6287 1 1117 . 1 1 88 88 VAL CG1 C 13 21.235 0.105 . 1 . . . . . . . . 6287 1 1118 . 1 1 88 88 VAL CG2 C 13 21.384 0.078 . 1 . . . . . . . . 6287 1 1119 . 1 1 88 88 VAL HA H 1 3.967 0.002 . 1 . . . . . . . . 6287 1 1120 . 1 1 88 88 VAL HB H 1 2.144 0.005 . 1 . . . . . . . . 6287 1 1121 . 1 1 88 88 VAL HG11 H 1 0.955 0.007 . 1 . . . . . . . . 6287 1 1122 . 1 1 88 88 VAL HG12 H 1 0.955 0.007 . 1 . . . . . . . . 6287 1 1123 . 1 1 88 88 VAL HG13 H 1 0.955 0.007 . 1 . . . . . . . . 6287 1 1124 . 1 1 88 88 VAL HG21 H 1 0.918 0.007 . 1 . . . . . . . . 6287 1 1125 . 1 1 88 88 VAL HG22 H 1 0.918 0.007 . 1 . . . . . . . . 6287 1 1126 . 1 1 88 88 VAL HG23 H 1 0.918 0.007 . 1 . . . . . . . . 6287 1 1127 . 1 1 88 88 VAL H H 1 7.311 0.003 . 1 . . . . . . . . 6287 1 1128 . 1 1 88 88 VAL N N 15 117.695 0.079 . 1 . . . . . . . . 6287 1 1129 . 1 1 88 88 VAL C C 13 176.244 0.3 . 1 . . . . . . . . 6287 1 1130 . 1 1 89 89 LEU CA C 13 55.175 0.1 . 1 . . . . . . . . 6287 1 1131 . 1 1 89 89 LEU CB C 13 42.378 0.107 . 1 . . . . . . . . 6287 1 1132 . 1 1 89 89 LEU CD1 C 13 24.748 0.082 . 1 . . . . . . . . 6287 1 1133 . 1 1 89 89 LEU CD2 C 13 23.391 0.043 . 1 . . . . . . . . 6287 1 1134 . 1 1 89 89 LEU CG C 13 26.831 0.085 . 1 . . . . . . . . 6287 1 1135 . 1 1 89 89 LEU HA H 1 4.304 0.003 . 1 . . . . . . . . 6287 1 1136 . 1 1 89 89 LEU HB2 H 1 1.6 0.003 . 1 . . . . . . . . 6287 1 1137 . 1 1 89 89 LEU HB3 H 1 1.6 0.003 . 1 . . . . . . . . 6287 1 1138 . 1 1 89 89 LEU HD11 H 1 0.874 0.005 . 2 . . . . . . . . 6287 1 1139 . 1 1 89 89 LEU HD12 H 1 0.874 0.005 . 2 . . . . . . . . 6287 1 1140 . 1 1 89 89 LEU HD13 H 1 0.874 0.005 . 2 . . . . . . . . 6287 1 1141 . 1 1 89 89 LEU HD21 H 1 0.847 0.01 . 2 . . . . . . . . 6287 1 1142 . 1 1 89 89 LEU HD22 H 1 0.847 0.01 . 2 . . . . . . . . 6287 1 1143 . 1 1 89 89 LEU HD23 H 1 0.847 0.01 . 2 . . . . . . . . 6287 1 1144 . 1 1 89 89 LEU HG H 1 1.609 0.003 . 1 . . . . . . . . 6287 1 1145 . 1 1 89 89 LEU H H 1 7.704 0.003 . 1 . . . . . . . . 6287 1 1146 . 1 1 89 89 LEU N N 15 122.77 0.112 . 1 . . . . . . . . 6287 1 1147 . 1 1 89 89 LEU C C 13 176.799 0.3 . 1 . . . . . . . . 6287 1 1148 . 1 1 90 90 ALA CA C 13 52.421 0.104 . 1 . . . . . . . . 6287 1 1149 . 1 1 90 90 ALA CB C 13 19.344 0.104 . 1 . . . . . . . . 6287 1 1150 . 1 1 90 90 ALA HB1 H 1 1.377 0.007 . 1 . . . . . . . . 6287 1 1151 . 1 1 90 90 ALA HB2 H 1 1.377 0.007 . 1 . . . . . . . . 6287 1 1152 . 1 1 90 90 ALA HB3 H 1 1.377 0.007 . 1 . . . . . . . . 6287 1 1153 . 1 1 90 90 ALA H H 1 7.927 0.002 . 1 . . . . . . . . 6287 1 1154 . 1 1 90 90 ALA N N 15 124.561 0.133 . 1 . . . . . . . . 6287 1 1155 . 1 1 90 90 ALA C C 13 176.584 0.3 . 1 . . . . . . . . 6287 1 1156 . 1 1 90 90 ALA HA H 1 4.372 0.03 . 1 . . . . . . . . 6287 1 1157 . 1 1 91 91 SER CA C 13 59.936 0.013 . 1 . . . . . . . . 6287 1 1158 . 1 1 91 91 SER CB C 13 64.905 0.063 . 1 . . . . . . . . 6287 1 1159 . 1 1 91 91 SER HB2 H 1 3.819 0.008 . 1 . . . . . . . . 6287 1 1160 . 1 1 91 91 SER HB3 H 1 3.819 0.008 . 1 . . . . . . . . 6287 1 1161 . 1 1 91 91 SER H H 1 7.758 0.002 . 1 . . . . . . . . 6287 1 1162 . 1 1 91 91 SER N N 15 120.876 0.19 . 1 . . . . . . . . 6287 1 1163 . 1 1 91 91 SER HA H 1 4.239 0.03 . 1 . . . . . . . . 6287 1 stop_ save_