data_4289 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4289 _Entry.Title ; 1H and 15N Chemical-Shift Assignments of a Carboxy-Terminal Functional Domain of the Bacteriophage P22 Scaffolding Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-29 _Entry.Accession_date 1998-12-29 _Entry.Last_release_date 2001-03-02 _Entry.Original_release_date 2001-03-02 _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 Yahong Sun . . . 4289 2 N. Krishna . Rama . 4289 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4289 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 424 4289 '15N chemical shifts' 62 4289 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 . . 2001-03-02 1998-12-29 original author . 4289 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4289 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Sun, Y., and Krishna, N. R., "1H and 15N Chemical-Shift Assignments of a Carboxy-Terminal Functional Domain of the Bacteriophage P22 Scaffolding Protein," Magn. Reson. Chem., 37,602-604 (1999). ; _Citation.Title ; 1H and 15N Chemical-Shift Assignments of a Carboxy-Terminal Functional Domain of the Bacteriophage P22 Scaffolding Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Magn. Reson. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _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 602 _Citation.Page_last 604 _Citation.Year 1999 _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 Yahong Sun . . . 4289 1 2 N. Krishna . Rama . 4289 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'scaffolding protein' 4289 1 'chemical shifts' 4289 1 'NMR assignments' 4289 1 'bacteriophage P22' 4289 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_scaffolding_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode scaffolding_protein _Assembly.Entry_ID 4289 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of bacteriophage P22 scaffolding protein' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4289 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 'C-terminal P22 scaffolding protein' 1 $C-terminal_P22_scaffolding_protein . . . native . . . . . 4289 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-terminal domain of bacteriophage P22 scaffolding protein' system 4289 1 'scaffolding protein' abbreviation 4289 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'procapsid assembly' 4289 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-terminal_P22_scaffolding_protein _Entity.Sf_category entity _Entity.Sf_framecode C-terminal_P22_scaffolding_protein _Entity.Entry_ID 4289 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'P22 scaffolding protein' _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 ; ALTRLSERLTLKPRGKQISS APHADQPITGDVSAANKDAI RKQMDAAASKGDVETYRKLK AKLKGIR ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; There are a number of highly charged residues on the C-terminus of this protein. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GP8 . "Nmr Solution Structure Of The Coat Protein-Binding Domain Of Bacteriophage P22 Scaffolding Protein" . . . . . 59.70 40 100.00 100.00 2.60e-17 . . . . 4289 1 2 no PDB 2GP8 . "Nmr Solution Structure Of The Coat Protein-Binding Domain Of Bacteriophage P22 Scaffolding Protein" . . . . . 59.70 40 100.00 100.00 2.60e-17 . . . . 4289 1 3 no DBJ BAD15214 . "Gp8 [Enterobacteria phage ST104]" . . . . . 98.51 303 98.48 98.48 4.25e-34 . . . . 4289 1 4 no DBJ BAF80719 . "scaffolding protein [Enterobacteria phage P22]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 5 no DBJ BAG12602 . "scaffolding protein [Enterobacteria phage P22]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 6 no DBJ BAJ35316 . "putative scaffolding protein [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 98.51 303 98.48 98.48 4.25e-34 . . . . 4289 1 7 no DBJ BAP06069 . "scaffolding protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 98.51 303 98.48 98.48 4.38e-34 . . . . 4289 1 8 no EMBL CAR60453 . "putative scaffolding protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 9 no EMBL CBG23390 . "scaffolding protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" . . . . . 98.51 303 98.48 98.48 4.11e-34 . . . . 4289 1 10 no EMBL CBY96613 . "Scaffolding protein Protein gp8 [Salmonella enterica subsp. enterica serovar Weltevreden str. 2007-60-3289-1]" . . . . . 98.51 303 96.97 98.48 2.40e-33 . . . . 4289 1 11 no EMBL CCR48949 . "Scaffolding protein [Salmonella enterica subsp. enterica serovar Agona str. 62.H.72]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 12 no EMBL CCT11723 . "Scaffolding protein [Salmonella enterica subsp. enterica serovar Agona str. 20.H.06]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 13 no GB AAA72962 . "scaffold [Enterobacteria phage P22]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 14 no GB AAF75046 . "scaffolding protein [Enterobacteria phage P22]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 15 no GB AAL15526 . "8 [Salmonella phage ST64T]" . . . . . 98.51 303 98.48 98.48 4.38e-34 . . . . 4289 1 16 no GB AAM81388 . "scaffolding protein [Salmonella phage P22-pbi]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 17 no GB AAX21428 . "gp8 [Enterobacteria phage L]" . . . . . 98.51 303 98.48 98.48 4.38e-34 . . . . 4289 1 18 no REF NP_720328 . "scaffolding protein [Salmonella phage ST64T]" . . . . . 98.51 303 98.48 98.48 4.38e-34 . . . . 4289 1 19 no REF WP_000433851 . "scaffold protein [Salmonella enterica]" . . . . . 98.51 303 96.97 96.97 8.12e-33 . . . . 4289 1 20 no REF WP_000433852 . "scaffold protein [Salmonella enterica]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 21 no REF WP_000433853 . "scaffold protein [Salmonella enterica]" . . . . . 98.51 306 98.48 98.48 4.63e-34 . . . . 4289 1 22 no REF WP_000433854 . "scaffold protein [Salmonella enterica]" . . . . . 98.51 303 98.48 98.48 5.13e-34 . . . . 4289 1 23 no SP P26748 . "RecName: Full=Scaffolding protein; AltName: Full=Protein gp8" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 24 no TPG DAA00986 . "TPA_inf: scaffolding protein [Enterobacteria phage P22]" . . . . . 98.51 303 98.48 98.48 4.43e-34 . . . . 4289 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'P22 scaffolding protein' common 4289 1 'scaffolding protein' abbreviation 4289 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 1 237 ALA . 4289 1 2 238 LEU . 4289 1 3 239 THR . 4289 1 4 240 ARG . 4289 1 5 241 LEU . 4289 1 6 242 SER . 4289 1 7 243 GLU . 4289 1 8 244 ARG . 4289 1 9 245 LEU . 4289 1 10 246 THR . 4289 1 11 247 LEU . 4289 1 12 248 LYS . 4289 1 13 249 PRO . 4289 1 14 250 ARG . 4289 1 15 251 GLY . 4289 1 16 252 LYS . 4289 1 17 253 GLN . 4289 1 18 254 ILE . 4289 1 19 255 SER . 4289 1 20 256 SER . 4289 1 21 257 ALA . 4289 1 22 258 PRO . 4289 1 23 259 HIS . 4289 1 24 260 ALA . 4289 1 25 261 ASP . 4289 1 26 262 GLN . 4289 1 27 263 PRO . 4289 1 28 264 ILE . 4289 1 29 265 THR . 4289 1 30 266 GLY . 4289 1 31 267 ASP . 4289 1 32 268 VAL . 4289 1 33 269 SER . 4289 1 34 270 ALA . 4289 1 35 271 ALA . 4289 1 36 272 ASN . 4289 1 37 273 LYS . 4289 1 38 274 ASP . 4289 1 39 275 ALA . 4289 1 40 276 ILE . 4289 1 41 277 ARG . 4289 1 42 278 LYS . 4289 1 43 279 GLN . 4289 1 44 280 MET . 4289 1 45 281 ASP . 4289 1 46 282 ALA . 4289 1 47 283 ALA . 4289 1 48 284 ALA . 4289 1 49 285 SER . 4289 1 50 286 LYS . 4289 1 51 287 GLY . 4289 1 52 288 ASP . 4289 1 53 289 VAL . 4289 1 54 290 GLU . 4289 1 55 291 THR . 4289 1 56 292 TYR . 4289 1 57 293 ARG . 4289 1 58 294 LYS . 4289 1 59 295 LEU . 4289 1 60 296 LYS . 4289 1 61 297 ALA . 4289 1 62 298 LYS . 4289 1 63 299 LEU . 4289 1 64 300 LYS . 4289 1 65 301 GLY . 4289 1 66 302 ILE . 4289 1 67 303 ARG . 4289 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 . ALA 1 1 4289 1 . LEU 2 2 4289 1 . THR 3 3 4289 1 . ARG 4 4 4289 1 . LEU 5 5 4289 1 . SER 6 6 4289 1 . GLU 7 7 4289 1 . ARG 8 8 4289 1 . LEU 9 9 4289 1 . THR 10 10 4289 1 . LEU 11 11 4289 1 . LYS 12 12 4289 1 . PRO 13 13 4289 1 . ARG 14 14 4289 1 . GLY 15 15 4289 1 . LYS 16 16 4289 1 . GLN 17 17 4289 1 . ILE 18 18 4289 1 . SER 19 19 4289 1 . SER 20 20 4289 1 . ALA 21 21 4289 1 . PRO 22 22 4289 1 . HIS 23 23 4289 1 . ALA 24 24 4289 1 . ASP 25 25 4289 1 . GLN 26 26 4289 1 . PRO 27 27 4289 1 . ILE 28 28 4289 1 . THR 29 29 4289 1 . GLY 30 30 4289 1 . ASP 31 31 4289 1 . VAL 32 32 4289 1 . SER 33 33 4289 1 . ALA 34 34 4289 1 . ALA 35 35 4289 1 . ASN 36 36 4289 1 . LYS 37 37 4289 1 . ASP 38 38 4289 1 . ALA 39 39 4289 1 . ILE 40 40 4289 1 . ARG 41 41 4289 1 . LYS 42 42 4289 1 . GLN 43 43 4289 1 . MET 44 44 4289 1 . ASP 45 45 4289 1 . ALA 46 46 4289 1 . ALA 47 47 4289 1 . ALA 48 48 4289 1 . SER 49 49 4289 1 . LYS 50 50 4289 1 . GLY 51 51 4289 1 . ASP 52 52 4289 1 . VAL 53 53 4289 1 . GLU 54 54 4289 1 . THR 55 55 4289 1 . TYR 56 56 4289 1 . ARG 57 57 4289 1 . LYS 58 58 4289 1 . LEU 59 59 4289 1 . LYS 60 60 4289 1 . ALA 61 61 4289 1 . LYS 62 62 4289 1 . LEU 63 63 4289 1 . LYS 64 64 4289 1 . GLY 65 65 4289 1 . ILE 66 66 4289 1 . ARG 67 67 4289 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 4289 _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 $C-terminal_P22_scaffolding_protein . 10754 virus . 'bacteriophage P22' 'bacteriophage P22' . . . . . 'bacteriophage P22' . . . . . . . . . . . . . . . . . . . . . 4289 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 4289 _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 $C-terminal_P22_scaffolding_protein . 'recombinant technology' . 'salmonella typhimurium' . . . . . . . . . . . . . . . . . . . . . . . . . . . 4289 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4289 _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 'P22 scaffolding protein' '[U-99% 15N]' . . 1 $C-terminal_P22_scaffolding_protein . . 1.1 . . mM . . . . 4289 1 2 NaCl . . . . . . . 25 . . mM . . . . 4289 1 3 phosphate . . . . . . . 50 . . mM . . . . 4289 1 4 EDTA . . . . . . . 2 . . mM . . . . 4289 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4289 _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 'P22 scaffolding protein' . . . 1 $C-terminal_P22_scaffolding_protein . . 1.1 . . mM . . . . 4289 2 2 NaCl . . . . . . . 25 . . mM . . . . 4289 2 3 phosphate . . . . . . . 50 . . mM . . . . 4289 2 4 EDTA . . . . . . . 2 . . mM . . . . 4289 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4289 _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 4.4 0.2 n/a 4289 1 temperature 293 0.2 K 4289 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4289 _Software.ID 1 _Software.Name FELIX _Software.Version 97.2 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4289 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4289 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4289 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4289 _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_one Bruker Avance . 600 . . . 4289 1 2 NMR_spectrometer_two Varian INOVA . 600 . . . 4289 1 3 NMR_spectrometer_three Bruker AM . 600 . . . 4289 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 4289 _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 NOESY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4289 1 2 TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4289 1 3 DQF-COSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4289 1 4 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4289 1 5 '1H-15N TOCSY-HMQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4289 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 4289 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NOESY _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 1 _NMR_spec_expt.Software_label $software_one _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 4289 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.Software_label $software_one _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 4289 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name DQF-COSY _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 1 _NMR_spec_expt.Software_label $software_one _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 4289 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N NOESY-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 1 _NMR_spec_expt.Software_label $software_one _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 4289 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N TOCSY-HMQC' _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 1 _NMR_spec_expt.Software_label $software_one _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 4289 _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 H2O protons . . . . ppm 4.84 internal direct . internal cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4289 1 N 15 formamide nitrogen . . . . ppm 113.8 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4289 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 . 4289 1 . . 2 $sample_2 . 4289 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 THR N N 15 115.0 0.1 . 1 . . . . 239 THR N . 4289 1 2 . 1 1 3 3 THR H H 1 8.33 0.03 . 1 . . . . 239 THR H . 4289 1 3 . 1 1 3 3 THR HA H 1 4.35 0.03 . 1 . . . . 239 THR HA . 4289 1 4 . 1 1 3 3 THR HB H 1 4.21 0.03 . 1 . . . . 239 THR HB . 4289 1 5 . 1 1 3 3 THR HG21 H 1 1.22 0.03 . 1 . . . . 239 THR HG21 . 4289 1 6 . 1 1 3 3 THR HG22 H 1 1.22 0.03 . 1 . . . . 239 THR HG22 . 4289 1 7 . 1 1 3 3 THR HG23 H 1 1.22 0.03 . 1 . . . . 239 THR HG23 . 4289 1 8 . 1 1 4 4 ARG N N 15 122.0 0.1 . 1 . . . . 240 ARG N . 4289 1 9 . 1 1 4 4 ARG H H 1 8.52 0.03 . 1 . . . . 240 ARG H . 4289 1 10 . 1 1 4 4 ARG HA H 1 4.37 0.03 . 1 . . . . 240 ARG HA . 4289 1 11 . 1 1 4 4 ARG HB2 H 1 1.87 0.03 . 2 . . . . 240 ARG HB2 . 4289 1 12 . 1 1 4 4 ARG HB3 H 1 1.78 0.03 . 2 . . . . 240 ARG HB3 . 4289 1 13 . 1 1 4 4 ARG HG2 H 1 1.64 0.03 . 1 . . . . 240 ARG HG2 . 4289 1 14 . 1 1 4 4 ARG HG3 H 1 1.64 0.03 . 1 . . . . 240 ARG HG3 . 4289 1 15 . 1 1 4 4 ARG HD2 H 1 3.22 0.03 . 1 . . . . 240 ARG HD2 . 4289 1 16 . 1 1 4 4 ARG HD3 H 1 3.22 0.03 . 1 . . . . 240 ARG HD3 . 4289 1 17 . 1 1 5 5 LEU N N 15 120.0 0.1 . 1 . . . . 241 LEU N . 4289 1 18 . 1 1 5 5 LEU H H 1 8.66 0.03 . 1 . . . . 241 LEU H . 4289 1 19 . 1 1 5 5 LEU HA H 1 4.47 0.03 . 1 . . . . 241 LEU HA . 4289 1 20 . 1 1 5 5 LEU HB2 H 1 1.67 0.03 . 1 . . . . 241 LEU HB2 . 4289 1 21 . 1 1 5 5 LEU HB3 H 1 1.67 0.03 . 1 . . . . 241 LEU HB3 . 4289 1 22 . 1 1 5 5 LEU HD11 H 1 0.95 0.03 . 2 . . . . 241 LEU HD11 . 4289 1 23 . 1 1 5 5 LEU HD12 H 1 0.95 0.03 . 2 . . . . 241 LEU HD12 . 4289 1 24 . 1 1 5 5 LEU HD13 H 1 0.95 0.03 . 2 . . . . 241 LEU HD13 . 4289 1 25 . 1 1 5 5 LEU HD21 H 1 0.91 0.03 . 2 . . . . 241 LEU HD21 . 4289 1 26 . 1 1 5 5 LEU HD22 H 1 0.91 0.03 . 2 . . . . 241 LEU HD22 . 4289 1 27 . 1 1 5 5 LEU HD23 H 1 0.91 0.03 . 2 . . . . 241 LEU HD23 . 4289 1 28 . 1 1 6 6 SER N N 15 114.1 0.1 . 1 . . . . 242 SER N . 4289 1 29 . 1 1 6 6 SER H H 1 8.32 0.03 . 1 . . . . 242 SER H . 4289 1 30 . 1 1 6 6 SER HA H 1 4.40 0.03 . 1 . . . . 242 SER HA . 4289 1 31 . 1 1 6 6 SER HB2 H 1 3.95 0.03 . 2 . . . . 242 SER HB2 . 4289 1 32 . 1 1 6 6 SER HB3 H 1 3.89 0.03 . 2 . . . . 242 SER HB3 . 4289 1 33 . 1 1 7 7 GLU N N 15 120.7 0.1 . 1 . . . . 243 GLU N . 4289 1 34 . 1 1 7 7 GLU H H 1 8.38 0.03 . 1 . . . . 243 GLU H . 4289 1 35 . 1 1 7 7 GLU HA H 1 4.33 0.03 . 1 . . . . 243 GLU HA . 4289 1 36 . 1 1 7 7 GLU HB2 H 1 2.13 0.03 . 2 . . . . 243 GLU HB2 . 4289 1 37 . 1 1 7 7 GLU HB3 H 1 2.02 0.03 . 2 . . . . 243 GLU HB3 . 4289 1 38 . 1 1 7 7 GLU HG2 H 1 2.35 0.03 . 1 . . . . 243 GLU HG2 . 4289 1 39 . 1 1 7 7 GLU HG3 H 1 2.35 0.03 . 1 . . . . 243 GLU HG3 . 4289 1 40 . 1 1 8 8 ARG N N 15 121.9 0.1 . 1 . . . . 244 ARG N . 4289 1 41 . 1 1 8 8 ARG H H 1 8.40 0.03 . 1 . . . . 244 ARG H . 4289 1 42 . 1 1 8 8 ARG HA H 1 4.31 0.03 . 1 . . . . 244 ARG HA . 4289 1 43 . 1 1 9 9 LEU N N 15 121.0 0.1 . 1 . . . . 245 LEU N . 4289 1 44 . 1 1 9 9 LEU H H 1 8.26 0.03 . 1 . . . . 245 LEU H . 4289 1 45 . 1 1 9 9 LEU HA H 1 4.42 0.03 . 1 . . . . 245 LEU HA . 4289 1 46 . 1 1 9 9 LEU HB2 H 1 1.72 0.03 . 2 . . . . 245 LEU HB2 . 4289 1 47 . 1 1 9 9 LEU HB3 H 1 1.63 0.03 . 2 . . . . 245 LEU HB3 . 4289 1 48 . 1 1 9 9 LEU HD11 H 1 0.95 0.03 . 2 . . . . 245 LEU HD11 . 4289 1 49 . 1 1 9 9 LEU HD12 H 1 0.95 0.03 . 2 . . . . 245 LEU HD12 . 4289 1 50 . 1 1 9 9 LEU HD13 H 1 0.95 0.03 . 2 . . . . 245 LEU HD13 . 4289 1 51 . 1 1 9 9 LEU HD21 H 1 0.89 0.03 . 2 . . . . 245 LEU HD21 . 4289 1 52 . 1 1 9 9 LEU HD22 H 1 0.89 0.03 . 2 . . . . 245 LEU HD22 . 4289 1 53 . 1 1 9 9 LEU HD23 H 1 0.89 0.03 . 2 . . . . 245 LEU HD23 . 4289 1 54 . 1 1 10 10 THR N N 15 113.6 0.1 . 1 . . . . 246 THR N . 4289 1 55 . 1 1 10 10 THR H H 1 8.14 0.03 . 1 . . . . 246 THR H . 4289 1 56 . 1 1 10 10 THR HA H 1 4.32 0.03 . 1 . . . . 246 THR HA . 4289 1 57 . 1 1 10 10 THR HB H 1 4.21 0.03 . 1 . . . . 246 THR HB . 4289 1 58 . 1 1 10 10 THR HG21 H 1 1.20 0.03 . 1 . . . . 246 THR HG21 . 4289 1 59 . 1 1 10 10 THR HG22 H 1 1.20 0.03 . 1 . . . . 246 THR HG22 . 4289 1 60 . 1 1 10 10 THR HG23 H 1 1.20 0.03 . 1 . . . . 246 THR HG23 . 4289 1 61 . 1 1 11 11 LEU N N 15 123.1 0.1 . 1 . . . . 247 LEU N . 4289 1 62 . 1 1 11 11 LEU H H 1 8.24 0.03 . 1 . . . . 247 LEU H . 4289 1 63 . 1 1 11 11 LEU HA H 1 4.38 0.03 . 1 . . . . 247 LEU HA . 4289 1 64 . 1 1 11 11 LEU HB2 H 1 1.69 0.03 . 2 . . . . 247 LEU HB2 . 4289 1 65 . 1 1 11 11 LEU HB3 H 1 1.60 0.03 . 2 . . . . 247 LEU HB3 . 4289 1 66 . 1 1 11 11 LEU HD11 H 1 0.93 0.03 . 2 . . . . 247 LEU HD11 . 4289 1 67 . 1 1 11 11 LEU HD12 H 1 0.93 0.03 . 2 . . . . 247 LEU HD12 . 4289 1 68 . 1 1 11 11 LEU HD13 H 1 0.93 0.03 . 2 . . . . 247 LEU HD13 . 4289 1 69 . 1 1 11 11 LEU HD21 H 1 0.87 0.03 . 2 . . . . 247 LEU HD21 . 4289 1 70 . 1 1 11 11 LEU HD22 H 1 0.87 0.03 . 2 . . . . 247 LEU HD22 . 4289 1 71 . 1 1 11 11 LEU HD23 H 1 0.87 0.03 . 2 . . . . 247 LEU HD23 . 4289 1 72 . 1 1 12 12 LYS N N 15 121.9 0.1 . 1 . . . . 248 LYS N . 4289 1 73 . 1 1 12 12 LYS H H 1 8.33 0.03 . 1 . . . . 248 LYS H . 4289 1 74 . 1 1 12 12 LYS HA H 1 4.61 0.03 . 1 . . . . 248 LYS HA . 4289 1 75 . 1 1 12 12 LYS HB2 H 1 1.84 0.03 . 2 . . . . 248 LYS HB2 . 4289 1 76 . 1 1 12 12 LYS HB3 H 1 1.73 0.03 . 2 . . . . 248 LYS HB3 . 4289 1 77 . 1 1 12 12 LYS HG2 H 1 1.50 0.03 . 1 . . . . 248 LYS HG2 . 4289 1 78 . 1 1 12 12 LYS HG3 H 1 1.50 0.03 . 1 . . . . 248 LYS HG3 . 4289 1 79 . 1 1 12 12 LYS HE2 H 1 3.02 0.03 . 1 . . . . 248 LYS HE2 . 4289 1 80 . 1 1 12 12 LYS HE3 H 1 3.02 0.03 . 1 . . . . 248 LYS HE3 . 4289 1 81 . 1 1 13 13 PRO HA H 1 4.43 0.03 . 1 . . . . 249 PRO HA . 4289 1 82 . 1 1 13 13 PRO HB2 H 1 2.32 0.03 . 2 . . . . 249 PRO HB2 . 4289 1 83 . 1 1 13 13 PRO HB3 H 1 2.03 0.03 . 5 . . . . 249 PRO HB3 . 4289 1 84 . 1 1 13 13 PRO HG2 H 1 2.03 0.03 . 5 . . . . 249 PRO HG2 . 4289 1 85 . 1 1 13 13 PRO HG3 H 1 2.03 0.03 . 5 . . . . 249 PRO HG3 . 4289 1 86 . 1 1 13 13 PRO HD2 H 1 3.83 0.03 . 2 . . . . 249 PRO HD2 . 4289 1 87 . 1 1 13 13 PRO HD3 H 1 3.65 0.03 . 5 . . . . 249 PRO HD3 . 4289 1 88 . 1 1 14 14 ARG N N 15 119.9 0.1 . 1 . . . . 250 ARG N . 4289 1 89 . 1 1 14 14 ARG H H 1 8.56 0.03 . 1 . . . . 250 ARG H . 4289 1 90 . 1 1 14 14 ARG HA H 1 4.33 0.03 . 1 . . . . 250 ARG HA . 4289 1 91 . 1 1 14 14 ARG HB2 H 1 1.91 0.03 . 2 . . . . 250 ARG HB2 . 4289 1 92 . 1 1 14 14 ARG HB3 H 1 1.83 0.03 . 2 . . . . 250 ARG HB3 . 4289 1 93 . 1 1 14 14 ARG HG2 H 1 1.71 0.03 . 1 . . . . 250 ARG HG2 . 4289 1 94 . 1 1 14 14 ARG HG3 H 1 1.71 0.03 . 1 . . . . 250 ARG HG3 . 4289 1 95 . 1 1 14 14 ARG HD2 H 1 3.23 0.03 . 1 . . . . 250 ARG HD2 . 4289 1 96 . 1 1 14 14 ARG HD3 H 1 3.23 0.03 . 1 . . . . 250 ARG HD3 . 4289 1 97 . 1 1 15 15 GLY N N 15 108.0 0.1 . 1 . . . . 251 GLY N . 4289 1 98 . 1 1 15 15 GLY H H 1 8.44 0.03 . 1 . . . . 251 GLY H . 4289 1 99 . 1 1 15 15 GLY HA2 H 1 3.99 0.03 . 1 . . . . 251 GLY HA2 . 4289 1 100 . 1 1 15 15 GLY HA3 H 1 3.99 0.03 . 1 . . . . 251 GLY HA3 . 4289 1 101 . 1 1 16 16 LYS N N 15 119.2 0.1 . 1 . . . . 252 LYS N . 4289 1 102 . 1 1 16 16 LYS H H 1 8.30 0.03 . 1 . . . . 252 LYS H . 4289 1 103 . 1 1 16 16 LYS HA H 1 4.31 0.03 . 1 . . . . 252 LYS HA . 4289 1 104 . 1 1 16 16 LYS HB2 H 1 1.86 0.03 . 2 . . . . 252 LYS HB2 . 4289 1 105 . 1 1 16 16 LYS HB3 H 1 1.80 0.03 . 2 . . . . 252 LYS HB3 . 4289 1 106 . 1 1 16 16 LYS HG2 H 1 1.65 0.03 . 1 . . . . 252 LYS HG2 . 4289 1 107 . 1 1 16 16 LYS HG3 H 1 1.65 0.03 . 1 . . . . 252 LYS HG3 . 4289 1 108 . 1 1 16 16 LYS HE2 H 1 3.22 0.03 . 1 . . . . 252 LYS HE2 . 4289 1 109 . 1 1 16 16 LYS HE3 H 1 3.22 0.03 . 1 . . . . 252 LYS HE3 . 4289 1 110 . 1 1 17 17 GLN N N 15 120.3 0.1 . 1 . . . . 253 GLN N . 4289 1 111 . 1 1 17 17 GLN H H 1 8.52 0.03 . 1 . . . . 253 GLN H . 4289 1 112 . 1 1 17 17 GLN HA H 1 4.37 0.03 . 1 . . . . 253 GLN HA . 4289 1 113 . 1 1 17 17 GLN HB2 H 1 2.11 0.03 . 2 . . . . 253 GLN HB2 . 4289 1 114 . 1 1 17 17 GLN HB3 H 1 2.02 0.03 . 2 . . . . 253 GLN HB3 . 4289 1 115 . 1 1 17 17 GLN HG2 H 1 2.37 0.03 . 1 . . . . 253 GLN HG2 . 4289 1 116 . 1 1 17 17 GLN HG3 H 1 2.37 0.03 . 1 . . . . 253 GLN HG3 . 4289 1 117 . 1 1 18 18 ILE N N 15 120.9 0.1 . 1 . . . . 254 ILE N . 4289 1 118 . 1 1 18 18 ILE H H 1 8.34 0.03 . 1 . . . . 254 ILE H . 4289 1 119 . 1 1 18 18 ILE HA H 1 4.22 0.03 . 1 . . . . 254 ILE HA . 4289 1 120 . 1 1 18 18 ILE HB H 1 1.92 0.03 . 1 . . . . 254 ILE HB . 4289 1 121 . 1 1 18 18 ILE HG21 H 1 0.93 0.03 . 1 . . . . 254 ILE HG21 . 4289 1 122 . 1 1 18 18 ILE HG22 H 1 0.93 0.03 . 1 . . . . 254 ILE HG22 . 4289 1 123 . 1 1 18 18 ILE HG23 H 1 0.93 0.03 . 1 . . . . 254 ILE HG23 . 4289 1 124 . 1 1 18 18 ILE HD11 H 1 0.87 0.03 . 1 . . . . 254 ILE HD11 . 4289 1 125 . 1 1 18 18 ILE HD12 H 1 0.87 0.03 . 1 . . . . 254 ILE HD12 . 4289 1 126 . 1 1 18 18 ILE HD13 H 1 0.87 0.03 . 1 . . . . 254 ILE HD13 . 4289 1 127 . 1 1 19 19 SER N N 15 118.1 0.1 . 1 . . . . 255 SER N . 4289 1 128 . 1 1 19 19 SER H H 1 8.48 0.03 . 1 . . . . 255 SER H . 4289 1 129 . 1 1 19 19 SER HA H 1 4.53 0.03 . 1 . . . . 255 SER HA . 4289 1 130 . 1 1 19 19 SER HB2 H 1 3.93 0.03 . 2 . . . . 255 SER HB2 . 4289 1 131 . 1 1 19 19 SER HB3 H 1 3.51 0.03 . 2 . . . . 255 SER HB3 . 4289 1 132 . 1 1 20 20 SER N N 15 116.3 0.1 . 1 . . . . 256 SER N . 4289 1 133 . 1 1 20 20 SER H H 1 8.40 0.03 . 1 . . . . 256 SER H . 4289 1 134 . 1 1 20 20 SER HA H 1 4.49 0.03 . 1 . . . . 256 SER HA . 4289 1 135 . 1 1 20 20 SER HB2 H 1 3.90 0.03 . 1 . . . . 256 SER HB2 . 4289 1 136 . 1 1 20 20 SER HB3 H 1 3.90 0.03 . 1 . . . . 256 SER HB3 . 4289 1 137 . 1 1 21 21 ALA N N 15 125.1 0.1 . 1 . . . . 257 ALA N . 4289 1 138 . 1 1 21 21 ALA H H 1 8.29 0.03 . 1 . . . . 257 ALA H . 4289 1 139 . 1 1 21 21 ALA HA H 1 4.61 0.03 . 1 . . . . 257 ALA HA . 4289 1 140 . 1 1 21 21 ALA HB1 H 1 1.38 0.03 . 1 . . . . 257 ALA HB1 . 4289 1 141 . 1 1 21 21 ALA HB2 H 1 1.38 0.03 . 1 . . . . 257 ALA HB2 . 4289 1 142 . 1 1 21 21 ALA HB3 H 1 1.38 0.03 . 1 . . . . 257 ALA HB3 . 4289 1 143 . 1 1 22 22 PRO HA H 1 4.40 0.03 . 1 . . . . 258 PRO HA . 4289 1 144 . 1 1 22 22 PRO HB2 H 1 2.30 0.03 . 2 . . . . 258 PRO HB2 . 4289 1 145 . 1 1 22 22 PRO HB3 H 1 2.01 0.03 . 5 . . . . 258 PRO HB3 . 4289 1 146 . 1 1 22 22 PRO HG2 H 1 1.85 0.03 . 1 . . . . 258 PRO HG2 . 4289 1 147 . 1 1 22 22 PRO HG3 H 1 1.85 0.03 . 1 . . . . 258 PRO HG3 . 4289 1 148 . 1 1 22 22 PRO HD2 H 1 3.80 0.03 . 2 . . . . 258 PRO HD2 . 4289 1 149 . 1 1 22 22 PRO HD3 H 1 3.65 0.03 . 5 . . . . 258 PRO HD3 . 4289 1 150 . 1 1 23 23 HIS N N 15 116.7 0.1 . 1 . . . . 259 HIS N . 4289 1 151 . 1 1 23 23 HIS H H 1 8.64 0.03 . 1 . . . . 259 HIS H . 4289 1 152 . 1 1 23 23 HIS HA H 1 4.67 0.03 . 1 . . . . 259 HIS HA . 4289 1 153 . 1 1 23 23 HIS HB2 H 1 3.27 0.03 . 2 . . . . 259 HIS HB2 . 4289 1 154 . 1 1 23 23 HIS HB3 H 1 3.22 0.03 . 2 . . . . 259 HIS HB3 . 4289 1 155 . 1 1 23 23 HIS HD2 H 1 8.62 0.03 . 1 . . . . 259 HIS HD2 . 4289 1 156 . 1 1 23 23 HIS HE1 H 1 7.33 0.03 . 1 . . . . 259 HIS HE1 . 4289 1 157 . 1 1 24 24 ALA N N 15 123.7 0.1 . 1 . . . . 260 ALA N . 4289 1 158 . 1 1 24 24 ALA H H 1 8.42 0.03 . 1 . . . . 260 ALA H . 4289 1 159 . 1 1 24 24 ALA HA H 1 4.34 0.03 . 1 . . . . 260 ALA HA . 4289 1 160 . 1 1 24 24 ALA HB1 H 1 1.39 0.03 . 1 . . . . 260 ALA HB1 . 4289 1 161 . 1 1 24 24 ALA HB2 H 1 1.39 0.03 . 1 . . . . 260 ALA HB2 . 4289 1 162 . 1 1 24 24 ALA HB3 H 1 1.39 0.03 . 1 . . . . 260 ALA HB3 . 4289 1 163 . 1 1 25 25 ASP N N 15 117.7 0.1 . 1 . . . . 261 ASP N . 4289 1 164 . 1 1 25 25 ASP H H 1 8.52 0.03 . 1 . . . . 261 ASP H . 4289 1 165 . 1 1 25 25 ASP HA H 1 4.62 0.03 . 1 . . . . 261 ASP HA . 4289 1 166 . 1 1 25 25 ASP HB2 H 1 2.74 0.03 . 2 . . . . 261 ASP HB2 . 4289 1 167 . 1 1 25 25 ASP HB3 H 1 2.65 0.03 . 2 . . . . 261 ASP HB3 . 4289 1 168 . 1 1 26 26 GLN N N 15 119.3 0.1 . 1 . . . . 262 GLN N . 4289 1 169 . 1 1 26 26 GLN H H 1 8.25 0.03 . 1 . . . . 262 GLN H . 4289 1 170 . 1 1 26 26 GLN HA H 1 4.65 0.03 . 1 . . . . 262 GLN HA . 4289 1 171 . 1 1 26 26 GLN HB2 H 1 2.10 0.03 . 2 . . . . 262 GLN HB2 . 4289 1 172 . 1 1 26 26 GLN HB3 H 1 1.96 0.03 . 2 . . . . 262 GLN HB3 . 4289 1 173 . 1 1 26 26 GLN HG2 H 1 2.40 0.03 . 1 . . . . 262 GLN HG2 . 4289 1 174 . 1 1 26 26 GLN HG3 H 1 2.40 0.03 . 1 . . . . 262 GLN HG3 . 4289 1 175 . 1 1 27 27 PRO HA H 1 4.48 0.03 . 1 . . . . 263 PRO HA . 4289 1 176 . 1 1 27 27 PRO HB2 H 1 2.29 0.03 . 2 . . . . 263 PRO HB2 . 4289 1 177 . 1 1 27 27 PRO HB3 H 1 2.01 0.03 . 2 . . . . 263 PRO HB3 . 4289 1 178 . 1 1 27 27 PRO HG2 H 1 1.89 0.03 . 1 . . . . 263 PRO HG2 . 4289 1 179 . 1 1 27 27 PRO HG3 H 1 1.89 0.03 . 1 . . . . 263 PRO HG3 . 4289 1 180 . 1 1 27 27 PRO HD2 H 1 3.79 0.03 . 2 . . . . 263 PRO HD2 . 4289 1 181 . 1 1 27 27 PRO HD3 H 1 3.67 0.03 . 2 . . . . 263 PRO HD3 . 4289 1 182 . 1 1 28 28 ILE N N 15 119.5 0.1 . 1 . . . . 264 ILE N . 4289 1 183 . 1 1 28 28 ILE H H 1 8.44 0.03 . 1 . . . . 264 ILE H . 4289 1 184 . 1 1 28 28 ILE HA H 1 4.24 0.03 . 1 . . . . 264 ILE HA . 4289 1 185 . 1 1 28 28 ILE HB H 1 1.90 0.03 . 1 . . . . 264 ILE HB . 4289 1 186 . 1 1 28 28 ILE HG21 H 1 0.93 0.03 . 1 . . . . 264 ILE HG21 . 4289 1 187 . 1 1 28 28 ILE HG22 H 1 0.93 0.03 . 1 . . . . 264 ILE HG22 . 4289 1 188 . 1 1 28 28 ILE HG23 H 1 0.93 0.03 . 1 . . . . 264 ILE HG23 . 4289 1 189 . 1 1 28 28 ILE HG12 H 1 1.54 0.03 . 2 . . . . 264 ILE HG12 . 4289 1 190 . 1 1 28 28 ILE HG13 H 1 1.24 0.03 . 2 . . . . 264 ILE HG13 . 4289 1 191 . 1 1 29 29 THR N N 15 116.1 0.1 . 1 . . . . 265 THR N . 4289 1 192 . 1 1 29 29 THR H H 1 8.14 0.03 . 1 . . . . 265 THR H . 4289 1 193 . 1 1 29 29 THR HA H 1 4.32 0.03 . 1 . . . . 265 THR HA . 4289 1 194 . 1 1 29 29 THR HB H 1 4.19 0.03 . 1 . . . . 265 THR HB . 4289 1 195 . 1 1 29 29 THR HG21 H 1 1.22 0.03 . 1 . . . . 265 THR HG21 . 4289 1 196 . 1 1 29 29 THR HG22 H 1 1.22 0.03 . 1 . . . . 265 THR HG22 . 4289 1 197 . 1 1 29 29 THR HG23 H 1 1.22 0.03 . 1 . . . . 265 THR HG23 . 4289 1 198 . 1 1 30 30 GLY N N 15 109.0 0.1 . 1 . . . . 266 GLY N . 4289 1 199 . 1 1 30 30 GLY H H 1 8.43 0.03 . 1 . . . . 266 GLY H . 4289 1 200 . 1 1 30 30 GLY HA2 H 1 3.99 0.03 . 1 . . . . 266 GLY HA2 . 4289 1 201 . 1 1 30 30 GLY HA3 H 1 3.99 0.03 . 1 . . . . 266 GLY HA3 . 4289 1 202 . 1 1 31 31 ASP N N 15 118.3 0.1 . 1 . . . . 267 ASP N . 4289 1 203 . 1 1 31 31 ASP H H 1 8.31 0.03 . 1 . . . . 267 ASP H . 4289 1 204 . 1 1 31 31 ASP HA H 1 4.66 0.03 . 1 . . . . 267 ASP HA . 4289 1 205 . 1 1 31 31 ASP HB2 H 1 2.79 0.03 . 2 . . . . 267 ASP HB2 . 4289 1 206 . 1 1 31 31 ASP HB3 H 1 2.68 0.03 . 2 . . . . 267 ASP HB3 . 4289 1 207 . 1 1 32 32 VAL N N 15 119.6 0.1 . 1 . . . . 268 VAL N . 4289 1 208 . 1 1 32 32 VAL H H 1 8.28 0.03 . 1 . . . . 268 VAL H . 4289 1 209 . 1 1 32 32 VAL HA H 1 4.15 0.03 . 1 . . . . 268 VAL HA . 4289 1 210 . 1 1 32 32 VAL HB H 1 2.17 0.03 . 1 . . . . 268 VAL HB . 4289 1 211 . 1 1 32 32 VAL HG11 H 1 0.97 0.03 . 1 . . . . 268 VAL HG11 . 4289 1 212 . 1 1 32 32 VAL HG12 H 1 0.97 0.03 . 1 . . . . 268 VAL HG12 . 4289 1 213 . 1 1 32 32 VAL HG13 H 1 0.97 0.03 . 1 . . . . 268 VAL HG13 . 4289 1 214 . 1 1 32 32 VAL HG21 H 1 0.97 0.03 . 1 . . . . 268 VAL HG21 . 4289 1 215 . 1 1 32 32 VAL HG22 H 1 0.97 0.03 . 1 . . . . 268 VAL HG22 . 4289 1 216 . 1 1 32 32 VAL HG23 H 1 0.97 0.03 . 1 . . . . 268 VAL HG23 . 4289 1 217 . 1 1 33 33 SER N N 15 117.0 0.1 . 1 . . . . 269 SER N . 4289 1 218 . 1 1 33 33 SER H H 1 8.45 0.03 . 1 . . . . 269 SER H . 4289 1 219 . 1 1 33 33 SER HA H 1 4.40 0.03 . 1 . . . . 269 SER HA . 4289 1 220 . 1 1 33 33 SER HB2 H 1 4.00 0.03 . 2 . . . . 269 SER HB2 . 4289 1 221 . 1 1 33 33 SER HB3 H 1 3.93 0.03 . 2 . . . . 269 SER HB3 . 4289 1 222 . 1 1 34 34 ALA N N 15 123.2 0.1 . 1 . . . . 270 ALA N . 4289 1 223 . 1 1 34 34 ALA H H 1 8.33 0.03 . 1 . . . . 270 ALA H . 4289 1 224 . 1 1 34 34 ALA HA H 1 4.19 0.03 . 1 . . . . 270 ALA HA . 4289 1 225 . 1 1 34 34 ALA HB1 H 1 1.45 0.03 . 1 . . . . 270 ALA HB1 . 4289 1 226 . 1 1 34 34 ALA HB2 H 1 1.45 0.03 . 1 . . . . 270 ALA HB2 . 4289 1 227 . 1 1 34 34 ALA HB3 H 1 1.45 0.03 . 1 . . . . 270 ALA HB3 . 4289 1 228 . 1 1 35 35 ALA N N 15 119.5 0.1 . 1 . . . . 271 ALA N . 4289 1 229 . 1 1 35 35 ALA H H 1 8.18 0.03 . 1 . . . . 271 ALA H . 4289 1 230 . 1 1 35 35 ALA HA H 1 4.27 0.03 . 1 . . . . 271 ALA HA . 4289 1 231 . 1 1 35 35 ALA HB1 H 1 1.43 0.03 . 1 . . . . 271 ALA HB1 . 4289 1 232 . 1 1 35 35 ALA HB2 H 1 1.43 0.03 . 1 . . . . 271 ALA HB2 . 4289 1 233 . 1 1 35 35 ALA HB3 H 1 1.43 0.03 . 1 . . . . 271 ALA HB3 . 4289 1 234 . 1 1 36 36 ASN N N 15 116.1 0.1 . 1 . . . . 272 ASN N . 4289 1 235 . 1 1 36 36 ASN H H 1 8.19 0.03 . 1 . . . . 272 ASN H . 4289 1 236 . 1 1 36 36 ASN HA H 1 4.68 0.03 . 1 . . . . 272 ASN HA . 4289 1 237 . 1 1 36 36 ASN HB2 H 1 2.92 0.03 . 2 . . . . 272 ASN HB2 . 4289 1 238 . 1 1 36 36 ASN HB3 H 1 2.89 0.03 . 2 . . . . 272 ASN HB3 . 4289 1 239 . 1 1 37 37 LYS N N 15 119.1 0.1 . 1 . . . . 273 LYS N . 4289 1 240 . 1 1 37 37 LYS H H 1 8.36 0.03 . 1 . . . . 273 LYS H . 4289 1 241 . 1 1 37 37 LYS HA H 1 3.90 0.03 . 1 . . . . 273 LYS HA . 4289 1 242 . 1 1 37 37 LYS HB2 H 1 1.90 0.03 . 2 . . . . 273 LYS HB2 . 4289 1 243 . 1 1 37 37 LYS HB3 H 1 1.84 0.03 . 2 . . . . 273 LYS HB3 . 4289 1 244 . 1 1 37 37 LYS HG2 H 1 1.32 0.03 . 1 . . . . 273 LYS HG2 . 4289 1 245 . 1 1 37 37 LYS HG3 H 1 1.32 0.03 . 1 . . . . 273 LYS HG3 . 4289 1 246 . 1 1 37 37 LYS HD2 H 1 1.70 0.03 . 2 . . . . 273 LYS HD2 . 4289 1 247 . 1 1 37 37 LYS HD3 H 1 1.62 0.03 . 2 . . . . 273 LYS HD3 . 4289 1 248 . 1 1 37 37 LYS HE2 H 1 2.97 0.03 . 1 . . . . 273 LYS HE2 . 4289 1 249 . 1 1 37 37 LYS HE3 H 1 2.97 0.03 . 1 . . . . 273 LYS HE3 . 4289 1 250 . 1 1 38 38 ASP N N 15 116.9 0.1 . 1 . . . . 274 ASP N . 4289 1 251 . 1 1 38 38 ASP H H 1 8.26 0.03 . 1 . . . . 274 ASP H . 4289 1 252 . 1 1 38 38 ASP HA H 1 4.43 0.03 . 1 . . . . 274 ASP HA . 4289 1 253 . 1 1 38 38 ASP HB2 H 1 2.78 0.03 . 2 . . . . 274 ASP HB2 . 4289 1 254 . 1 1 38 38 ASP HB3 H 1 2.71 0.03 . 2 . . . . 274 ASP HB3 . 4289 1 255 . 1 1 39 39 ALA N N 15 120.6 0.1 . 1 . . . . 275 ALA N . 4289 1 256 . 1 1 39 39 ALA H H 1 7.96 0.03 . 1 . . . . 275 ALA H . 4289 1 257 . 1 1 39 39 ALA HA H 1 4.17 0.03 . 1 . . . . 275 ALA HA . 4289 1 258 . 1 1 39 39 ALA HB1 H 1 1.54 0.03 . 1 . . . . 275 ALA HB1 . 4289 1 259 . 1 1 39 39 ALA HB2 H 1 1.54 0.03 . 1 . . . . 275 ALA HB2 . 4289 1 260 . 1 1 39 39 ALA HB3 H 1 1.54 0.03 . 1 . . . . 275 ALA HB3 . 4289 1 261 . 1 1 40 40 ILE N N 15 117.4 0.1 . 1 . . . . 276 ILE N . 4289 1 262 . 1 1 40 40 ILE H H 1 7.95 0.03 . 1 . . . . 276 ILE H . 4289 1 263 . 1 1 40 40 ILE HA H 1 3.76 0.03 . 1 . . . . 276 ILE HA . 4289 1 264 . 1 1 40 40 ILE HB H 1 1.91 0.03 . 1 . . . . 276 ILE HB . 4289 1 265 . 1 1 40 40 ILE HG21 H 1 0.87 0.03 . 1 . . . . 276 ILE HG21 . 4289 1 266 . 1 1 40 40 ILE HG22 H 1 0.87 0.03 . 1 . . . . 276 ILE HG22 . 4289 1 267 . 1 1 40 40 ILE HG23 H 1 0.87 0.03 . 1 . . . . 276 ILE HG23 . 4289 1 268 . 1 1 40 40 ILE HG12 H 1 1.73 0.03 . 2 . . . . 276 ILE HG12 . 4289 1 269 . 1 1 40 40 ILE HG13 H 1 1.10 0.03 . 2 . . . . 276 ILE HG13 . 4289 1 270 . 1 1 40 40 ILE HD11 H 1 0.77 0.03 . 1 . . . . 276 ILE HD11 . 4289 1 271 . 1 1 40 40 ILE HD12 H 1 0.77 0.03 . 1 . . . . 276 ILE HD12 . 4289 1 272 . 1 1 40 40 ILE HD13 H 1 0.77 0.03 . 1 . . . . 276 ILE HD13 . 4289 1 273 . 1 1 41 41 ARG N N 15 119.1 0.1 . 1 . . . . 277 ARG N . 4289 1 274 . 1 1 41 41 ARG H H 1 8.36 0.03 . 1 . . . . 277 ARG H . 4289 1 275 . 1 1 41 41 ARG HA H 1 4.14 0.03 . 1 . . . . 277 ARG HA . 4289 1 276 . 1 1 41 41 ARG HB2 H 1 2.00 0.03 . 2 . . . . 277 ARG HB2 . 4289 1 277 . 1 1 41 41 ARG HB3 H 1 1.84 0.03 . 2 . . . . 277 ARG HB3 . 4289 1 278 . 1 1 41 41 ARG HG2 H 1 1.32 0.03 . 2 . . . . 277 ARG HG2 . 4289 1 279 . 1 1 41 41 ARG HG3 H 1 1.68 0.03 . 2 . . . . 277 ARG HG3 . 4289 1 280 . 1 1 41 41 ARG HD2 H 1 3.27 0.03 . 1 . . . . 277 ARG HD2 . 4289 1 281 . 1 1 41 41 ARG HD3 H 1 3.27 0.03 . 1 . . . . 277 ARG HD3 . 4289 1 282 . 1 1 42 42 LYS N N 15 117.8 0.1 . 1 . . . . 278 LYS N . 4289 1 283 . 1 1 42 42 LYS H H 1 8.07 0.03 . 1 . . . . 278 LYS H . 4289 1 284 . 1 1 42 42 LYS HA H 1 4.20 0.03 . 1 . . . . 278 LYS HA . 4289 1 285 . 1 1 42 42 LYS HB2 H 1 1.97 0.03 . 1 . . . . 278 LYS HB2 . 4289 1 286 . 1 1 42 42 LYS HB3 H 1 1.97 0.03 . 1 . . . . 278 LYS HB3 . 4289 1 287 . 1 1 42 42 LYS HE2 H 1 3.01 0.03 . 1 . . . . 278 LYS HE2 . 4289 1 288 . 1 1 42 42 LYS HE3 H 1 3.01 0.03 . 1 . . . . 278 LYS HE3 . 4289 1 289 . 1 1 43 43 GLN N N 15 118.4 0.1 . 1 . . . . 279 GLN N . 4289 1 290 . 1 1 43 43 GLN H H 1 7.98 0.03 . 1 . . . . 279 GLN H . 4289 1 291 . 1 1 43 43 GLN HA H 1 4.17 0.03 . 1 . . . . 279 GLN HA . 4289 1 292 . 1 1 43 43 GLN HB2 H 1 2.29 0.03 . 2 . . . . 279 GLN HB2 . 4289 1 293 . 1 1 43 43 GLN HB3 H 1 2.12 0.03 . 2 . . . . 279 GLN HB3 . 4289 1 294 . 1 1 43 43 GLN HG2 H 1 2.61 0.03 . 2 . . . . 279 GLN HG2 . 4289 1 295 . 1 1 43 43 GLN HG3 H 1 2.39 0.03 . 2 . . . . 279 GLN HG3 . 4289 1 296 . 1 1 44 44 MET N N 15 121.4 0.1 . 1 . . . . 280 MET N . 4289 1 297 . 1 1 44 44 MET H H 1 9.00 0.03 . 1 . . . . 280 MET H . 4289 1 298 . 1 1 44 44 MET HA H 1 3.89 0.03 . 1 . . . . 280 MET HA . 4289 1 299 . 1 1 44 44 MET HB2 H 1 2.29 0.03 . 1 . . . . 280 MET HB2 . 4289 1 300 . 1 1 44 44 MET HB3 H 1 2.29 0.03 . 1 . . . . 280 MET HB3 . 4289 1 301 . 1 1 44 44 MET HG2 H 1 2.50 0.03 . 2 . . . . 280 MET HG2 . 4289 1 302 . 1 1 44 44 MET HG3 H 1 2.41 0.03 . 2 . . . . 280 MET HG3 . 4289 1 303 . 1 1 44 44 MET HE1 H 1 1.81 0.03 . 1 . . . . 280 MET HE1 . 4289 1 304 . 1 1 44 44 MET HE2 H 1 1.81 0.03 . 1 . . . . 280 MET HE2 . 4289 1 305 . 1 1 44 44 MET HE3 H 1 1.81 0.03 . 1 . . . . 280 MET HE3 . 4289 1 306 . 1 1 45 45 ASP N N 15 118.2 0.1 . 1 . . . . 281 ASP N . 4289 1 307 . 1 1 45 45 ASP H H 1 8.31 0.03 . 1 . . . . 281 ASP H . 4289 1 308 . 1 1 45 45 ASP HA H 1 4.48 0.03 . 1 . . . . 281 ASP HA . 4289 1 309 . 1 1 45 45 ASP HB2 H 1 2.89 0.03 . 2 . . . . 281 ASP HB2 . 4289 1 310 . 1 1 45 45 ASP HB3 H 1 2.84 0.03 . 2 . . . . 281 ASP HB3 . 4289 1 311 . 1 1 46 46 ALA N N 15 121.4 0.1 . 1 . . . . 282 ALA N . 4289 1 312 . 1 1 46 46 ALA H H 1 7.98 0.03 . 1 . . . . 282 ALA H . 4289 1 313 . 1 1 46 46 ALA HA H 1 4.21 0.03 . 1 . . . . 282 ALA HA . 4289 1 314 . 1 1 46 46 ALA HB1 H 1 1.54 0.03 . 1 . . . . 282 ALA HB1 . 4289 1 315 . 1 1 46 46 ALA HB2 H 1 1.54 0.03 . 1 . . . . 282 ALA HB2 . 4289 1 316 . 1 1 46 46 ALA HB3 H 1 1.54 0.03 . 1 . . . . 282 ALA HB3 . 4289 1 317 . 1 1 47 47 ALA N N 15 119.4 0.1 . 1 . . . . 283 ALA N . 4289 1 318 . 1 1 47 47 ALA H H 1 8.11 0.03 . 1 . . . . 283 ALA H . 4289 1 319 . 1 1 47 47 ALA HA H 1 4.29 0.03 . 1 . . . . 283 ALA HA . 4289 1 320 . 1 1 47 47 ALA HB1 H 1 1.68 0.03 . 1 . . . . 283 ALA HB1 . 4289 1 321 . 1 1 47 47 ALA HB2 H 1 1.68 0.03 . 1 . . . . 283 ALA HB2 . 4289 1 322 . 1 1 47 47 ALA HB3 H 1 1.68 0.03 . 1 . . . . 283 ALA HB3 . 4289 1 323 . 1 1 48 48 ALA N N 15 119.1 0.1 . 1 . . . . 284 ALA N . 4289 1 324 . 1 1 48 48 ALA H H 1 8.70 0.03 . 1 . . . . 284 ALA H . 4289 1 325 . 1 1 48 48 ALA HA H 1 3.93 0.03 . 1 . . . . 284 ALA HA . 4289 1 326 . 1 1 48 48 ALA HB1 H 1 1.18 0.03 . 1 . . . . 284 ALA HB1 . 4289 1 327 . 1 1 48 48 ALA HB2 H 1 1.18 0.03 . 1 . . . . 284 ALA HB2 . 4289 1 328 . 1 1 48 48 ALA HB3 H 1 1.18 0.03 . 1 . . . . 284 ALA HB3 . 4289 1 329 . 1 1 49 49 SER N N 15 112.1 0.1 . 1 . . . . 285 SER N . 4289 1 330 . 1 1 49 49 SER H H 1 8.16 0.03 . 1 . . . . 285 SER H . 4289 1 331 . 1 1 49 49 SER HA H 1 4.24 0.03 . 1 . . . . 285 SER HA . 4289 1 332 . 1 1 49 49 SER HB2 H 1 4.06 0.03 . 2 . . . . 285 SER HB2 . 4289 1 333 . 1 1 49 49 SER HB3 H 1 4.02 0.03 . 2 . . . . 285 SER HB3 . 4289 1 334 . 1 1 50 50 LYS N N 15 116.3 0.1 . 1 . . . . 286 LYS N . 4289 1 335 . 1 1 50 50 LYS H H 1 7.48 0.03 . 1 . . . . 286 LYS H . 4289 1 336 . 1 1 50 50 LYS HA H 1 4.49 0.03 . 1 . . . . 286 LYS HA . 4289 1 337 . 1 1 50 50 LYS HB2 H 1 1.98 0.03 . 2 . . . . 286 LYS HB2 . 4289 1 338 . 1 1 50 50 LYS HB3 H 1 1.94 0.03 . 2 . . . . 286 LYS HB3 . 4289 1 339 . 1 1 50 50 LYS HG2 H 1 1.63 0.03 . 2 . . . . 286 LYS HG2 . 4289 1 340 . 1 1 50 50 LYS HG3 H 1 1.59 0.03 . 2 . . . . 286 LYS HG3 . 4289 1 341 . 1 1 50 50 LYS HD2 H 1 1.75 0.03 . 1 . . . . 286 LYS HD2 . 4289 1 342 . 1 1 50 50 LYS HD3 H 1 1.75 0.03 . 1 . . . . 286 LYS HD3 . 4289 1 343 . 1 1 50 50 LYS HE2 H 1 3.02 0.03 . 1 . . . . 286 LYS HE2 . 4289 1 344 . 1 1 50 50 LYS HE3 H 1 3.02 0.03 . 1 . . . . 286 LYS HE3 . 4289 1 345 . 1 1 51 51 GLY N N 15 107.2 0.1 . 1 . . . . 287 GLY N . 4289 1 346 . 1 1 51 51 GLY H H 1 7.84 0.03 . 1 . . . . 287 GLY H . 4289 1 347 . 1 1 51 51 GLY HA2 H 1 4.09 0.03 . 2 . . . . 287 GLY HA2 . 4289 1 348 . 1 1 51 51 GLY HA3 H 1 3.88 0.03 . 2 . . . . 287 GLY HA3 . 4289 1 349 . 1 1 52 52 ASP N N 15 118.1 0.1 . 1 . . . . 288 ASP N . 4289 1 350 . 1 1 52 52 ASP H H 1 8.21 0.03 . 1 . . . . 288 ASP H . 4289 1 351 . 1 1 52 52 ASP HA H 1 4.87 0.03 . 1 . . . . 288 ASP HA . 4289 1 352 . 1 1 52 52 ASP HB2 H 1 2.99 0.03 . 2 . . . . 288 ASP HB2 . 4289 1 353 . 1 1 52 52 ASP HB3 H 1 2.60 0.03 . 2 . . . . 288 ASP HB3 . 4289 1 354 . 1 1 53 53 VAL N N 15 121.2 0.1 . 1 . . . . 289 VAL N . 4289 1 355 . 1 1 53 53 VAL H H 1 7.81 0.03 . 1 . . . . 289 VAL H . 4289 1 356 . 1 1 53 53 VAL HA H 1 3.74 0.03 . 1 . . . . 289 VAL HA . 4289 1 357 . 1 1 53 53 VAL HB H 1 2.10 0.03 . 1 . . . . 289 VAL HB . 4289 1 358 . 1 1 53 53 VAL HG11 H 1 1.02 0.03 . 2 . . . . 289 VAL HG11 . 4289 1 359 . 1 1 53 53 VAL HG12 H 1 1.02 0.03 . 2 . . . . 289 VAL HG12 . 4289 1 360 . 1 1 53 53 VAL HG13 H 1 1.02 0.03 . 2 . . . . 289 VAL HG13 . 4289 1 361 . 1 1 53 53 VAL HG21 H 1 0.99 0.03 . 2 . . . . 289 VAL HG21 . 4289 1 362 . 1 1 53 53 VAL HG22 H 1 0.99 0.03 . 2 . . . . 289 VAL HG22 . 4289 1 363 . 1 1 53 53 VAL HG23 H 1 0.99 0.03 . 2 . . . . 289 VAL HG23 . 4289 1 364 . 1 1 54 54 GLU N N 15 118.9 0.1 . 1 . . . . 290 GLU N . 4289 1 365 . 1 1 54 54 GLU H H 1 8.62 0.03 . 1 . . . . 290 GLU H . 4289 1 366 . 1 1 54 54 GLU HA H 1 4.19 0.03 . 1 . . . . 290 GLU HA . 4289 1 367 . 1 1 54 54 GLU HB2 H 1 2.16 0.03 . 2 . . . . 290 GLU HB2 . 4289 1 368 . 1 1 54 54 GLU HB3 H 1 2.09 0.03 . 2 . . . . 290 GLU HB3 . 4289 1 369 . 1 1 54 54 GLU HG2 H 1 2.41 0.03 . 1 . . . . 290 GLU HG2 . 4289 1 370 . 1 1 54 54 GLU HG3 H 1 2.41 0.03 . 1 . . . . 290 GLU HG3 . 4289 1 371 . 1 1 55 55 THR N N 15 115.6 0.1 . 1 . . . . 291 THR N . 4289 1 372 . 1 1 55 55 THR H H 1 7.84 0.03 . 1 . . . . 291 THR H . 4289 1 373 . 1 1 55 55 THR HA H 1 3.88 0.03 . 1 . . . . 291 THR HA . 4289 1 374 . 1 1 55 55 THR HB H 1 3.77 0.03 . 1 . . . . 291 THR HB . 4289 1 375 . 1 1 55 55 THR HG21 H 1 1.18 0.03 . 1 . . . . 291 THR HG21 . 4289 1 376 . 1 1 55 55 THR HG22 H 1 1.18 0.03 . 1 . . . . 291 THR HG22 . 4289 1 377 . 1 1 55 55 THR HG23 H 1 1.18 0.03 . 1 . . . . 291 THR HG23 . 4289 1 378 . 1 1 56 56 TYR N N 15 119.3 0.1 . 1 . . . . 292 TYR N . 4289 1 379 . 1 1 56 56 TYR H H 1 8.08 0.03 . 1 . . . . 292 TYR H . 4289 1 380 . 1 1 56 56 TYR HA H 1 3.83 0.03 . 1 . . . . 292 TYR HA . 4289 1 381 . 1 1 56 56 TYR HB2 H 1 3.26 0.03 . 2 . . . . 292 TYR HB2 . 4289 1 382 . 1 1 56 56 TYR HB3 H 1 2.92 0.03 . 2 . . . . 292 TYR HB3 . 4289 1 383 . 1 1 56 56 TYR HD1 H 1 6.82 0.03 . 1 . . . . 292 TYR HD1 . 4289 1 384 . 1 1 56 56 TYR HD2 H 1 6.82 0.03 . 1 . . . . 292 TYR HD2 . 4289 1 385 . 1 1 56 56 TYR HE1 H 1 7.14 0.03 . 1 . . . . 292 TYR HE1 . 4289 1 386 . 1 1 56 56 TYR HE2 H 1 7.14 0.03 . 1 . . . . 292 TYR HE2 . 4289 1 387 . 1 1 57 57 ARG N N 15 115.4 0.1 . 1 . . . . 293 ARG N . 4289 1 388 . 1 1 57 57 ARG H H 1 8.54 0.03 . 1 . . . . 293 ARG H . 4289 1 389 . 1 1 57 57 ARG HA H 1 3.84 0.03 . 1 . . . . 293 ARG HA . 4289 1 390 . 1 1 57 57 ARG HB2 H 1 1.96 0.03 . 1 . . . . 293 ARG HB2 . 4289 1 391 . 1 1 57 57 ARG HB3 H 1 1.96 0.03 . 1 . . . . 293 ARG HB3 . 4289 1 392 . 1 1 57 57 ARG HG2 H 1 1.75 0.03 . 1 . . . . 293 ARG HG2 . 4289 1 393 . 1 1 57 57 ARG HG3 H 1 1.75 0.03 . 1 . . . . 293 ARG HG3 . 4289 1 394 . 1 1 57 57 ARG HD2 H 1 3.25 0.03 . 1 . . . . 293 ARG HD2 . 4289 1 395 . 1 1 57 57 ARG HD3 H 1 3.25 0.03 . 1 . . . . 293 ARG HD3 . 4289 1 396 . 1 1 58 58 LYS N N 15 119.0 0.1 . 1 . . . . 294 LYS N . 4289 1 397 . 1 1 58 58 LYS H H 1 7.90 0.03 . 1 . . . . 294 LYS H . 4289 1 398 . 1 1 58 58 LYS HA H 1 4.07 0.03 . 1 . . . . 294 LYS HA . 4289 1 399 . 1 1 58 58 LYS HB2 H 1 1.99 0.03 . 2 . . . . 294 LYS HB2 . 4289 1 400 . 1 1 58 58 LYS HB3 H 1 1.90 0.03 . 2 . . . . 294 LYS HB3 . 4289 1 401 . 1 1 58 58 LYS HG2 H 1 1.43 0.03 . 1 . . . . 294 LYS HG2 . 4289 1 402 . 1 1 58 58 LYS HG3 H 1 1.43 0.03 . 1 . . . . 294 LYS HG3 . 4289 1 403 . 1 1 58 58 LYS HD2 H 1 1.70 0.03 . 2 . . . . 294 LYS HD2 . 4289 1 404 . 1 1 58 58 LYS HD3 H 1 1.67 0.03 . 2 . . . . 294 LYS HD3 . 4289 1 405 . 1 1 58 58 LYS HE2 H 1 2.96 0.03 . 1 . . . . 294 LYS HE2 . 4289 1 406 . 1 1 58 58 LYS HE3 H 1 2.96 0.03 . 1 . . . . 294 LYS HE3 . 4289 1 407 . 1 1 59 59 LEU N N 15 119.6 0.1 . 1 . . . . 295 LEU N . 4289 1 408 . 1 1 59 59 LEU H H 1 8.29 0.03 . 1 . . . . 295 LEU H . 4289 1 409 . 1 1 59 59 LEU HA H 1 4.01 0.03 . 1 . . . . 295 LEU HA . 4289 1 410 . 1 1 59 59 LEU HB2 H 1 1.85 0.03 . 2 . . . . 295 LEU HB2 . 4289 1 411 . 1 1 59 59 LEU HB3 H 1 1.75 0.03 . 2 . . . . 295 LEU HB3 . 4289 1 412 . 1 1 60 60 LYS N N 15 118.6 0.1 . 1 . . . . 296 LYS N . 4289 1 413 . 1 1 60 60 LYS H H 1 8.36 0.03 . 1 . . . . 296 LYS H . 4289 1 414 . 1 1 60 60 LYS HA H 1 3.85 0.03 . 1 . . . . 296 LYS HA . 4289 1 415 . 1 1 60 60 LYS HB2 H 1 2.03 0.03 . 1 . . . . 296 LYS HB2 . 4289 1 416 . 1 1 60 60 LYS HB3 H 1 2.03 0.03 . 1 . . . . 296 LYS HB3 . 4289 1 417 . 1 1 60 60 LYS HG2 H 1 1.47 0.03 . 2 . . . . 296 LYS HG2 . 4289 1 418 . 1 1 60 60 LYS HG3 H 1 1.29 0.03 . 2 . . . . 296 LYS HG3 . 4289 1 419 . 1 1 60 60 LYS HD2 H 1 1.71 0.03 . 2 . . . . 296 LYS HD2 . 4289 1 420 . 1 1 60 60 LYS HD3 H 1 1.64 0.03 . 2 . . . . 296 LYS HD3 . 4289 1 421 . 1 1 60 60 LYS HE2 H 1 2.97 0.03 . 1 . . . . 296 LYS HE2 . 4289 1 422 . 1 1 60 60 LYS HE3 H 1 2.97 0.03 . 1 . . . . 296 LYS HE3 . 4289 1 423 . 1 1 61 61 ALA N N 15 118.2 0.1 . 1 . . . . 297 ALA N . 4289 1 424 . 1 1 61 61 ALA H H 1 7.53 0.03 . 1 . . . . 297 ALA H . 4289 1 425 . 1 1 61 61 ALA HA H 1 4.13 0.03 . 1 . . . . 297 ALA HA . 4289 1 426 . 1 1 61 61 ALA HB1 H 1 1.48 0.03 . 1 . . . . 297 ALA HB1 . 4289 1 427 . 1 1 61 61 ALA HB2 H 1 1.48 0.03 . 1 . . . . 297 ALA HB2 . 4289 1 428 . 1 1 61 61 ALA HB3 H 1 1.48 0.03 . 1 . . . . 297 ALA HB3 . 4289 1 429 . 1 1 62 62 LYS N N 15 117.6 0.1 . 1 . . . . 298 LYS N . 4289 1 430 . 1 1 62 62 LYS H H 1 7.73 0.03 . 1 . . . . 298 LYS H . 4289 1 431 . 1 1 62 62 LYS HA H 1 4.11 0.03 . 1 . . . . 298 LYS HA . 4289 1 432 . 1 1 62 62 LYS HB2 H 1 2.00 0.03 . 1 . . . . 298 LYS HB2 . 4289 1 433 . 1 1 62 62 LYS HB3 H 1 2.00 0.03 . 1 . . . . 298 LYS HB3 . 4289 1 434 . 1 1 62 62 LYS HG2 H 1 1.43 0.03 . 1 . . . . 298 LYS HG2 . 4289 1 435 . 1 1 62 62 LYS HG3 H 1 1.43 0.03 . 1 . . . . 298 LYS HG3 . 4289 1 436 . 1 1 62 62 LYS HD2 H 1 1.68 0.03 . 2 . . . . 298 LYS HD2 . 4289 1 437 . 1 1 62 62 LYS HD3 H 1 1.64 0.03 . 2 . . . . 298 LYS HD3 . 4289 1 438 . 1 1 62 62 LYS HE2 H 1 2.96 0.03 . 1 . . . . 298 LYS HE2 . 4289 1 439 . 1 1 62 62 LYS HE3 H 1 2.96 0.03 . 1 . . . . 298 LYS HE3 . 4289 1 440 . 1 1 63 63 LEU N N 15 118.1 0.1 . 1 . . . . 299 LEU N . 4289 1 441 . 1 1 63 63 LEU H H 1 8.20 0.03 . 1 . . . . 299 LEU H . 4289 1 442 . 1 1 63 63 LEU HA H 1 4.05 0.03 . 1 . . . . 299 LEU HA . 4289 1 443 . 1 1 63 63 LEU HB2 H 1 1.81 0.03 . 2 . . . . 299 LEU HB2 . 4289 1 444 . 1 1 63 63 LEU HB3 H 1 1.73 0.03 . 2 . . . . 299 LEU HB3 . 4289 1 445 . 1 1 63 63 LEU HD11 H 1 0.94 0.03 . 2 . . . . 299 LEU HD11 . 4289 1 446 . 1 1 63 63 LEU HD12 H 1 0.94 0.03 . 2 . . . . 299 LEU HD12 . 4289 1 447 . 1 1 63 63 LEU HD13 H 1 0.94 0.03 . 2 . . . . 299 LEU HD13 . 4289 1 448 . 1 1 63 63 LEU HD21 H 1 0.89 0.03 . 2 . . . . 299 LEU HD21 . 4289 1 449 . 1 1 63 63 LEU HD22 H 1 0.89 0.03 . 2 . . . . 299 LEU HD22 . 4289 1 450 . 1 1 63 63 LEU HD23 H 1 0.89 0.03 . 2 . . . . 299 LEU HD23 . 4289 1 451 . 1 1 64 64 LYS N N 15 116.0 0.1 . 1 . . . . 300 LYS N . 4289 1 452 . 1 1 64 64 LYS H H 1 7.72 0.03 . 1 . . . . 300 LYS H . 4289 1 453 . 1 1 64 64 LYS HA H 1 4.14 0.03 . 1 . . . . 300 LYS HA . 4289 1 454 . 1 1 64 64 LYS HB2 H 1 1.89 0.03 . 1 . . . . 300 LYS HB2 . 4289 1 455 . 1 1 64 64 LYS HB3 H 1 1.89 0.03 . 1 . . . . 300 LYS HB3 . 4289 1 456 . 1 1 64 64 LYS HG2 H 1 1.56 0.03 . 2 . . . . 300 LYS HG2 . 4289 1 457 . 1 1 64 64 LYS HG3 H 1 1.48 0.03 . 2 . . . . 300 LYS HG3 . 4289 1 458 . 1 1 64 64 LYS HD2 H 1 1.70 0.03 . 1 . . . . 300 LYS HD2 . 4289 1 459 . 1 1 64 64 LYS HD3 H 1 1.70 0.03 . 1 . . . . 300 LYS HD3 . 4289 1 460 . 1 1 64 64 LYS HE2 H 1 3.00 0.03 . 1 . . . . 300 LYS HE2 . 4289 1 461 . 1 1 64 64 LYS HE3 H 1 3.00 0.03 . 1 . . . . 300 LYS HE3 . 4289 1 462 . 1 1 65 65 GLY N N 15 104.6 0.1 . 1 . . . . 301 GLY N . 4289 1 463 . 1 1 65 65 GLY H H 1 7.87 0.03 . 1 . . . . 301 GLY H . 4289 1 464 . 1 1 65 65 GLY HA2 H 1 4.08 0.03 . 2 . . . . 301 GLY HA2 . 4289 1 465 . 1 1 65 65 GLY HA3 H 1 3.90 0.03 . 2 . . . . 301 GLY HA3 . 4289 1 466 . 1 1 66 66 ILE N N 15 118.7 0.1 . 1 . . . . 302 ILE N . 4289 1 467 . 1 1 66 66 ILE H H 1 7.60 0.03 . 1 . . . . 302 ILE H . 4289 1 468 . 1 1 66 66 ILE HA H 1 4.17 0.03 . 1 . . . . 302 ILE HA . 4289 1 469 . 1 1 66 66 ILE HB H 1 1.91 0.03 . 1 . . . . 302 ILE HB . 4289 1 470 . 1 1 66 66 ILE HG21 H 1 0.95 0.03 . 1 . . . . 302 ILE HG21 . 4289 1 471 . 1 1 66 66 ILE HG22 H 1 0.95 0.03 . 1 . . . . 302 ILE HG22 . 4289 1 472 . 1 1 66 66 ILE HG23 H 1 0.95 0.03 . 1 . . . . 302 ILE HG23 . 4289 1 473 . 1 1 66 66 ILE HG12 H 1 1.61 0.03 . 2 . . . . 302 ILE HG12 . 4289 1 474 . 1 1 66 66 ILE HG13 H 1 1.20 0.03 . 2 . . . . 302 ILE HG13 . 4289 1 475 . 1 1 66 66 ILE HD11 H 1 0.83 0.03 . 1 . . . . 302 ILE HD11 . 4289 1 476 . 1 1 66 66 ILE HD12 H 1 0.83 0.03 . 1 . . . . 302 ILE HD12 . 4289 1 477 . 1 1 66 66 ILE HD13 H 1 0.83 0.03 . 1 . . . . 302 ILE HD13 . 4289 1 478 . 1 1 67 67 ARG N N 15 128.5 0.1 . 1 . . . . 303 ARG N . 4289 1 479 . 1 1 67 67 ARG H H 1 8.09 0.03 . 1 . . . . 303 ARG H . 4289 1 480 . 1 1 67 67 ARG HA H 1 4.17 0.03 . 1 . . . . 303 ARG HA . 4289 1 481 . 1 1 67 67 ARG HB2 H 1 1.87 0.03 . 2 . . . . 303 ARG HB2 . 4289 1 482 . 1 1 67 67 ARG HB3 H 1 1.85 0.03 . 2 . . . . 303 ARG HB3 . 4289 1 483 . 1 1 67 67 ARG HG2 H 1 1.75 0.03 . 2 . . . . 303 ARG HG2 . 4289 1 484 . 1 1 67 67 ARG HG3 H 1 1.64 0.03 . 2 . . . . 303 ARG HG3 . 4289 1 485 . 1 1 67 67 ARG HD2 H 1 3.22 0.03 . 1 . . . . 303 ARG HD2 . 4289 1 486 . 1 1 67 67 ARG HD3 H 1 3.22 0.03 . 1 . . . . 303 ARG HD3 . 4289 1 stop_ save_