data_7075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7075 _Entry.Title ; Assignment of conserved hypothetical protein pa2412 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-17 _Entry.Accession_date 2006-04-18 _Entry.Last_release_date 2006-10-20 _Entry.Original_release_date 2006-10-20 _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 Alexander Lemak . . . 7075 2 Adelinda Yee . . . 7075 3 Jonathan Lukin . . . 7075 4 Anthony Semesi . . . 7075 5 Cheryl Arrowsmith . H. . 7075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 7075 '15N chemical shifts' 70 7075 '1H chemical shifts' 459 7075 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-10-20 2006-04-18 original author . 7075 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GPF 'BMRB Entry Tracking System' 7075 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7075 _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 'Solution structure of pa2412 protein determined using ABACUS protocol' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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 Alexander Lemak . . . 7075 1 2 Jonathan Lukin . . . 7075 1 3 Adelinda Yee . . . 7075 1 4 Anthony Semesi . . . 7075 1 5 Cheryl Arrowsmith . H. . 7075 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conserved hypothetical protein pa2412' 7075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_pa2412 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_pa2412 _Assembly.Entry_ID 7075 _Assembly.ID 1 _Assembly.Name 'conserved hypothetical protein pa2412' _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 7075 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 pa2412 1 $pa2412 . . . native . . . . . 7075 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'conserved hypothetical protein pa2412' system 7075 1 pa2412 abbreviation 7075 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'conserved hypothetical protein' 7075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pa2412 _Entity.Sf_category entity _Entity.Sf_framecode pa2412 _Entity.Entry_ID 7075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'conserved hypothetical protein pa2412' _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 ; MTSVFDRDDIQFQVVVNHEE QYSIWPEYKEIPQGWRAAGK SGLKKDCLAYIEEVWTDMRP LSLRQHMDKAAG ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8443 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GPF . "Solution Nmr Structure Of Protein Pa22412 From Pseudomonas Aeruginosa. Northeast Structural Genomics Consortium Target Pat86, O" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 2 no PDB 2PST . "1.8a Crystal Structure Of The Pa2412 Protein From Pseudomonas Aeruginosa" . . . . . 100.00 74 100.00 100.00 4.55e-46 . . . . 7075 1 3 no DBJ BAK90265 . "hypothetical protein NCGM2_3417 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 4 no DBJ BAP23198 . "hypothetical protein NCGM1900_4118 [Pseudomonas aeruginosa]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 5 no DBJ BAP50810 . "hypothetical protein NCGM1984_2840 [Pseudomonas aeruginosa]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 6 no DBJ GAA18000 . "putative MbtH-like protein [Pseudomonas aeruginosa NCMG1179]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 7 no DBJ GAJ51291 . "hypothetical MbtH-like protein [Pseudomonas aeruginosa RB]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 8 no EMBL CAW27611 . "putative MbtH-like protein [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 9 no EMBL CCQ87246 . "Hypothetical MbtH-like protein [Pseudomonas aeruginosa 18A]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 10 no EMBL CDH74417 . "hypothetical protein P38_6257 [Pseudomonas aeruginosa MH38]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 11 no EMBL CDH77199 . "hypothetical protein PAMH27_2805 [Pseudomonas aeruginosa MH27]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 12 no EMBL CDI90691 . "putative MbtH-like protein [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 13 no GB AAG05800 . "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 14 no GB AAT50634 . "PA2412, partial [synthetic construct]" . . . . . 100.00 73 100.00 100.00 3.41e-46 . . . . 7075 1 15 no GB ABJ11588 . "putative MbtH-like protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 16 no GB ABR86930 . "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 17 no GB AEO75113 . "putative MbtH-like protein [Pseudomonas aeruginosa M18]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 18 no REF NP_251102 . "hypothetical protein PA2412 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 19 no REF WP_003089636 . "MULTISPECIES: antibiotic synthesis protein MbtH [Pseudomonas]" . . . . . 100.00 72 100.00 100.00 3.04e-46 . . . . 7075 1 20 no REF WP_023084226 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 100.00 72 98.61 100.00 1.15e-45 . . . . 7075 1 21 no REF WP_033996385 . "antibiotic synthesis protein MbtH, partial [Pseudomonas aeruginosa]" . . . . . 77.78 56 100.00 100.00 2.67e-33 . . . . 7075 1 22 no REF WP_034025318 . "antibiotic synthesis protein MbtH [Pseudomonas aeruginosa]" . . . . . 100.00 72 98.61 100.00 1.34e-45 . . . . 7075 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'conserved hypothetical protein pa2412' common 7075 1 pa2412 abbreviation 7075 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 . MET . 7075 1 2 . THR . 7075 1 3 . SER . 7075 1 4 . VAL . 7075 1 5 . PHE . 7075 1 6 . ASP . 7075 1 7 . ARG . 7075 1 8 . ASP . 7075 1 9 . ASP . 7075 1 10 . ILE . 7075 1 11 . GLN . 7075 1 12 . PHE . 7075 1 13 . GLN . 7075 1 14 . VAL . 7075 1 15 . VAL . 7075 1 16 . VAL . 7075 1 17 . ASN . 7075 1 18 . HIS . 7075 1 19 . GLU . 7075 1 20 . GLU . 7075 1 21 . GLN . 7075 1 22 . TYR . 7075 1 23 . SER . 7075 1 24 . ILE . 7075 1 25 . TRP . 7075 1 26 . PRO . 7075 1 27 . GLU . 7075 1 28 . TYR . 7075 1 29 . LYS . 7075 1 30 . GLU . 7075 1 31 . ILE . 7075 1 32 . PRO . 7075 1 33 . GLN . 7075 1 34 . GLY . 7075 1 35 . TRP . 7075 1 36 . ARG . 7075 1 37 . ALA . 7075 1 38 . ALA . 7075 1 39 . GLY . 7075 1 40 . LYS . 7075 1 41 . SER . 7075 1 42 . GLY . 7075 1 43 . LEU . 7075 1 44 . LYS . 7075 1 45 . LYS . 7075 1 46 . ASP . 7075 1 47 . CYS . 7075 1 48 . LEU . 7075 1 49 . ALA . 7075 1 50 . TYR . 7075 1 51 . ILE . 7075 1 52 . GLU . 7075 1 53 . GLU . 7075 1 54 . VAL . 7075 1 55 . TRP . 7075 1 56 . THR . 7075 1 57 . ASP . 7075 1 58 . MET . 7075 1 59 . ARG . 7075 1 60 . PRO . 7075 1 61 . LEU . 7075 1 62 . SER . 7075 1 63 . LEU . 7075 1 64 . ARG . 7075 1 65 . GLN . 7075 1 66 . HIS . 7075 1 67 . MET . 7075 1 68 . ASP . 7075 1 69 . LYS . 7075 1 70 . ALA . 7075 1 71 . ALA . 7075 1 72 . GLY . 7075 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 . MET 1 1 7075 1 . THR 2 2 7075 1 . SER 3 3 7075 1 . VAL 4 4 7075 1 . PHE 5 5 7075 1 . ASP 6 6 7075 1 . ARG 7 7 7075 1 . ASP 8 8 7075 1 . ASP 9 9 7075 1 . ILE 10 10 7075 1 . GLN 11 11 7075 1 . PHE 12 12 7075 1 . GLN 13 13 7075 1 . VAL 14 14 7075 1 . VAL 15 15 7075 1 . VAL 16 16 7075 1 . ASN 17 17 7075 1 . HIS 18 18 7075 1 . GLU 19 19 7075 1 . GLU 20 20 7075 1 . GLN 21 21 7075 1 . TYR 22 22 7075 1 . SER 23 23 7075 1 . ILE 24 24 7075 1 . TRP 25 25 7075 1 . PRO 26 26 7075 1 . GLU 27 27 7075 1 . TYR 28 28 7075 1 . LYS 29 29 7075 1 . GLU 30 30 7075 1 . ILE 31 31 7075 1 . PRO 32 32 7075 1 . GLN 33 33 7075 1 . GLY 34 34 7075 1 . TRP 35 35 7075 1 . ARG 36 36 7075 1 . ALA 37 37 7075 1 . ALA 38 38 7075 1 . GLY 39 39 7075 1 . LYS 40 40 7075 1 . SER 41 41 7075 1 . GLY 42 42 7075 1 . LEU 43 43 7075 1 . LYS 44 44 7075 1 . LYS 45 45 7075 1 . ASP 46 46 7075 1 . CYS 47 47 7075 1 . LEU 48 48 7075 1 . ALA 49 49 7075 1 . TYR 50 50 7075 1 . ILE 51 51 7075 1 . GLU 52 52 7075 1 . GLU 53 53 7075 1 . VAL 54 54 7075 1 . TRP 55 55 7075 1 . THR 56 56 7075 1 . ASP 57 57 7075 1 . MET 58 58 7075 1 . ARG 59 59 7075 1 . PRO 60 60 7075 1 . LEU 61 61 7075 1 . SER 62 62 7075 1 . LEU 63 63 7075 1 . ARG 64 64 7075 1 . GLN 65 65 7075 1 . HIS 66 66 7075 1 . MET 67 67 7075 1 . ASP 68 68 7075 1 . LYS 69 69 7075 1 . ALA 70 70 7075 1 . ALA 71 71 7075 1 . GLY 72 72 7075 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 7075 _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 $pa2412 . 15597608 . . 'pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 7075 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 7075 _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 $pa2412 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3 gold)' . . . . . . . . . . . . plasmid . . P11 . . . . . . 7075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7075 _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 'conserved hypothetical protein pa2412' '[U-13C; U-15N]' . . 1 $pa2412 . . 0.6 . . mM . . . . 7075 1 2 NaCl . . . . . . . 450 . . mM . . . . 7075 1 3 MOPS . . . . . . . 10 . . mM . . . . 7075 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set1 _Sample_condition_list.Entry_ID 7075 _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 'ionic strength' 0.45 . M 7075 1 pH 6.5 0.2 pH 7075 1 temperature 298 1 K 7075 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7075 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignemt 7075 1 'spectral analysis' 7075 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 7075 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 7075 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 7075 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 7075 1 2 NMR_spectrometer_2 Bruker AVANCE . 500 . . . 7075 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 7075 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 3 CBCAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 4 HBHAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 5 'CCcoNH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 6 'HCCcoNH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 7 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 8 'HC(C)H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 9 'HCC(H) TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 10 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 1 11 '13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7075 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 7075 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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 7075 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7075 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCAcoNH _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 7075 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHAcoNH _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 7075 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'CCcoNH 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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7075 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HCCcoNH 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 7075 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 7075 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'HC(C)H 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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 7075 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'HCC(H) 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 7075 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N 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 . _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 7075 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C 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 . _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 7075 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7075 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 7075 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7075 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 7075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set1 _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 '15N HSQC' 1 $sample_1 . 7075 1 2 HNCO 1 $sample_1 . 7075 1 3 CBCAcoNH 1 $sample_1 . 7075 1 4 HBHAcoNH 1 $sample_1 . 7075 1 5 'CCcoNH TOCSY' 1 $sample_1 . 7075 1 6 'HCCcoNH TOCSY' 1 $sample_1 . 7075 1 7 '13C HSQC' 1 $sample_1 . 7075 1 8 'HC(C)H TOCSY' 1 $sample_1 . 7075 1 9 'HCC(H) TOCSY' 1 $sample_1 . 7075 1 10 '15N NOESY' 1 $sample_1 . 7075 1 11 '13C NOESY' 1 $sample_1 . 7075 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 56.709 0.400 . 1 . . . . . . . . 7075 1 2 . 1 1 1 1 MET HA H 1 4.321 0.200 . 1 . . . . . . . . 7075 1 3 . 1 1 1 1 MET CB C 13 30.400 0.400 . 1 . . . . . . . . 7075 1 4 . 1 1 1 1 MET HB2 H 1 2.078 0.400 . 1 . . . . . . . . 7075 1 5 . 1 1 1 1 MET HB3 H 1 2.078 0.400 . 1 . . . . . . . . 7075 1 6 . 1 1 1 1 MET CG C 13 36.440 0.400 . 1 . . . . . . . . 7075 1 7 . 1 1 1 1 MET HG2 H 1 2.249 0.400 . 1 . . . . . . . . 7075 1 8 . 1 1 1 1 MET HG3 H 1 2.249 0.400 . 1 . . . . . . . . 7075 1 9 . 1 1 1 1 MET C C 13 176.545 0.400 . 1 . . . . . . . . 7075 1 10 . 1 1 2 2 THR N N 15 121.954 0.400 . 1 . . . . . . . . 7075 1 11 . 1 1 2 2 THR H H 1 8.446 0.200 . 1 . . . . . . . . 7075 1 12 . 1 1 2 2 THR CA C 13 61.677 0.400 . 1 . . . . . . . . 7075 1 13 . 1 1 2 2 THR HA H 1 4.385 0.200 . 1 . . . . . . . . 7075 1 14 . 1 1 2 2 THR CB C 13 70.195 0.400 . 1 . . . . . . . . 7075 1 15 . 1 1 2 2 THR HB H 1 4.252 0.200 . 1 . . . . . . . . 7075 1 16 . 1 1 2 2 THR HG21 H 1 1.202 0.400 . 1 . . . . . . . . 7075 1 17 . 1 1 2 2 THR HG22 H 1 1.202 0.400 . 1 . . . . . . . . 7075 1 18 . 1 1 2 2 THR HG23 H 1 1.202 0.400 . 1 . . . . . . . . 7075 1 19 . 1 1 2 2 THR CG2 C 13 21.595 0.400 . 1 . . . . . . . . 7075 1 20 . 1 1 2 2 THR C C 13 173.852 0.400 . 1 . . . . . . . . 7075 1 21 . 1 1 3 3 SER N N 15 128.305 0.400 . 1 . . . . . . . . 7075 1 22 . 1 1 3 3 SER H H 1 8.112 0.200 . 1 . . . . . . . . 7075 1 23 . 1 1 4 4 VAL CA C 13 63.578 0.400 . 1 . . . . . . . . 7075 1 24 . 1 1 4 4 VAL HA H 1 3.913 0.200 . 1 . . . . . . . . 7075 1 25 . 1 1 4 4 VAL CB C 13 31.996 0.400 . 1 . . . . . . . . 7075 1 26 . 1 1 4 4 VAL HB H 1 1.904 0.200 . 1 . . . . . . . . 7075 1 27 . 1 1 4 4 VAL HG11 H 1 0.700 0.400 . 2 . . . . . . . . 7075 1 28 . 1 1 4 4 VAL HG12 H 1 0.700 0.400 . 2 . . . . . . . . 7075 1 29 . 1 1 4 4 VAL HG13 H 1 0.700 0.400 . 2 . . . . . . . . 7075 1 30 . 1 1 4 4 VAL HG21 H 1 0.593 0.400 . 2 . . . . . . . . 7075 1 31 . 1 1 4 4 VAL HG22 H 1 0.593 0.400 . 2 . . . . . . . . 7075 1 32 . 1 1 4 4 VAL HG23 H 1 0.593 0.400 . 2 . . . . . . . . 7075 1 33 . 1 1 4 4 VAL CG1 C 13 20.781 0.400 . 1 . . . . . . . . 7075 1 34 . 1 1 4 4 VAL CG2 C 13 20.874 0.400 . 1 . . . . . . . . 7075 1 35 . 1 1 4 4 VAL C C 13 175.882 0.400 . 1 . . . . . . . . 7075 1 36 . 1 1 5 5 PHE N N 15 119.085 0.400 . 1 . . . . . . . . 7075 1 37 . 1 1 5 5 PHE H H 1 7.852 0.200 . 1 . . . . . . . . 7075 1 38 . 1 1 5 5 PHE CA C 13 58.686 0.400 . 1 . . . . . . . . 7075 1 39 . 1 1 5 5 PHE HA H 1 4.524 0.200 . 1 . . . . . . . . 7075 1 40 . 1 1 5 5 PHE CB C 13 39.220 0.400 . 1 . . . . . . . . 7075 1 41 . 1 1 5 5 PHE HB2 H 1 3.195 0.200 . 2 . . . . . . . . 7075 1 42 . 1 1 5 5 PHE HB3 H 1 2.883 0.200 . 2 . . . . . . . . 7075 1 43 . 1 1 5 5 PHE CD1 C 13 131.630 0.400 . 1 . . . . . . . . 7075 1 44 . 1 1 5 5 PHE HD1 H 1 6.571 0.200 . 1 . . . . . . . . 7075 1 45 . 1 1 5 5 PHE C C 13 175.410 0.400 . 1 . . . . . . . . 7075 1 46 . 1 1 6 6 ASP N N 15 119.703 0.400 . 1 . . . . . . . . 7075 1 47 . 1 1 6 6 ASP H H 1 8.031 0.200 . 1 . . . . . . . . 7075 1 48 . 1 1 6 6 ASP CA C 13 54.682 0.400 . 1 . . . . . . . . 7075 1 49 . 1 1 6 6 ASP HA H 1 4.651 0.200 . 1 . . . . . . . . 7075 1 50 . 1 1 6 6 ASP CB C 13 41.451 0.400 . 1 . . . . . . . . 7075 1 51 . 1 1 6 6 ASP HB2 H 1 2.655 0.200 . 2 . . . . . . . . 7075 1 52 . 1 1 6 6 ASP HB3 H 1 2.781 0.200 . 2 . . . . . . . . 7075 1 53 . 1 1 6 6 ASP C C 13 176.217 0.400 . 1 . . . . . . . . 7075 1 54 . 1 1 7 7 ARG N N 15 120.178 0.400 . 1 . . . . . . . . 7075 1 55 . 1 1 7 7 ARG H H 1 7.889 0.200 . 1 . . . . . . . . 7075 1 56 . 1 1 7 7 ARG CA C 13 56.380 0.400 . 1 . . . . . . . . 7075 1 57 . 1 1 7 7 ARG HA H 1 4.394 0.200 . 1 . . . . . . . . 7075 1 58 . 1 1 7 7 ARG CB C 13 32.008 0.400 . 1 . . . . . . . . 7075 1 59 . 1 1 7 7 ARG HB2 H 1 1.950 0.200 . 2 . . . . . . . . 7075 1 60 . 1 1 7 7 ARG HB3 H 1 2.095 0.200 . 2 . . . . . . . . 7075 1 61 . 1 1 7 7 ARG CG C 13 27.165 0.400 . 1 . . . . . . . . 7075 1 62 . 1 1 7 7 ARG HG2 H 1 1.778 0.200 . 2 . . . . . . . . 7075 1 63 . 1 1 7 7 ARG HG3 H 1 1.655 0.200 . 2 . . . . . . . . 7075 1 64 . 1 1 7 7 ARG CD C 13 43.317 0.400 . 1 . . . . . . . . 7075 1 65 . 1 1 7 7 ARG HD2 H 1 3.120 0.200 . 2 . . . . . . . . 7075 1 66 . 1 1 7 7 ARG HD3 H 1 3.259 0.200 . 2 . . . . . . . . 7075 1 67 . 1 1 7 7 ARG C C 13 176.265 0.400 . 1 . . . . . . . . 7075 1 68 . 1 1 8 8 ASP N N 15 119.640 0.400 . 1 . . . . . . . . 7075 1 69 . 1 1 8 8 ASP H H 1 8.605 0.200 . 1 . . . . . . . . 7075 1 70 . 1 1 8 8 ASP CA C 13 54.839 0.400 . 1 . . . . . . . . 7075 1 71 . 1 1 8 8 ASP HA H 1 4.876 0.200 . 1 . . . . . . . . 7075 1 72 . 1 1 8 8 ASP CB C 13 41.780 0.400 . 1 . . . . . . . . 7075 1 73 . 1 1 8 8 ASP HB2 H 1 2.818 0.200 . 2 . . . . . . . . 7075 1 74 . 1 1 8 8 ASP HB3 H 1 2.720 0.200 . 2 . . . . . . . . 7075 1 75 . 1 1 8 8 ASP C C 13 176.812 0.400 . 1 . . . . . . . . 7075 1 76 . 1 1 9 9 ASP N N 15 118.116 0.400 . 1 . . . . . . . . 7075 1 77 . 1 1 9 9 ASP H H 1 8.849 0.200 . 1 . . . . . . . . 7075 1 78 . 1 1 9 9 ASP CA C 13 53.693 0.400 . 1 . . . . . . . . 7075 1 79 . 1 1 9 9 ASP HA H 1 4.692 0.200 . 1 . . . . . . . . 7075 1 80 . 1 1 9 9 ASP CB C 13 40.361 0.400 . 1 . . . . . . . . 7075 1 81 . 1 1 9 9 ASP HB2 H 1 2.639 0.200 . 2 . . . . . . . . 7075 1 82 . 1 1 9 9 ASP HB3 H 1 2.854 0.200 . 2 . . . . . . . . 7075 1 83 . 1 1 9 9 ASP C C 13 175.567 0.400 . 1 . . . . . . . . 7075 1 84 . 1 1 10 10 ILE N N 15 115.838 0.400 . 1 . . . . . . . . 7075 1 85 . 1 1 10 10 ILE H H 1 7.124 0.200 . 1 . . . . . . . . 7075 1 86 . 1 1 10 10 ILE CA C 13 60.112 0.400 . 1 . . . . . . . . 7075 1 87 . 1 1 10 10 ILE HA H 1 4.351 0.200 . 1 . . . . . . . . 7075 1 88 . 1 1 10 10 ILE CB C 13 40.057 0.400 . 1 . . . . . . . . 7075 1 89 . 1 1 10 10 ILE HB H 1 1.821 0.200 . 1 . . . . . . . . 7075 1 90 . 1 1 10 10 ILE HG21 H 1 0.645 0.400 . 1 . . . . . . . . 7075 1 91 . 1 1 10 10 ILE HG22 H 1 0.645 0.400 . 1 . . . . . . . . 7075 1 92 . 1 1 10 10 ILE HG23 H 1 0.645 0.400 . 1 . . . . . . . . 7075 1 93 . 1 1 10 10 ILE CG2 C 13 17.730 0.400 . 1 . . . . . . . . 7075 1 94 . 1 1 10 10 ILE CG1 C 13 26.376 0.400 . 1 . . . . . . . . 7075 1 95 . 1 1 10 10 ILE HG12 H 1 0.967 0.200 . 2 . . . . . . . . 7075 1 96 . 1 1 10 10 ILE HG13 H 1 1.054 0.200 . 2 . . . . . . . . 7075 1 97 . 1 1 10 10 ILE HD11 H 1 0.628 0.400 . 1 . . . . . . . . 7075 1 98 . 1 1 10 10 ILE HD12 H 1 0.628 0.400 . 1 . . . . . . . . 7075 1 99 . 1 1 10 10 ILE HD13 H 1 0.628 0.400 . 1 . . . . . . . . 7075 1 100 . 1 1 10 10 ILE CD1 C 13 13.214 0.400 . 1 . . . . . . . . 7075 1 101 . 1 1 10 10 ILE C C 13 174.802 0.400 . 1 . . . . . . . . 7075 1 102 . 1 1 11 11 GLN N N 15 120.258 0.400 . 1 . . . . . . . . 7075 1 103 . 1 1 11 11 GLN H H 1 8.270 0.200 . 1 . . . . . . . . 7075 1 104 . 1 1 11 11 GLN CA C 13 55.391 0.400 . 1 . . . . . . . . 7075 1 105 . 1 1 11 11 GLN HA H 1 4.311 0.200 . 1 . . . . . . . . 7075 1 106 . 1 1 11 11 GLN CB C 13 29.791 0.400 . 1 . . . . . . . . 7075 1 107 . 1 1 11 11 GLN HB2 H 1 1.869 0.200 . 2 . . . . . . . . 7075 1 108 . 1 1 11 11 GLN HB3 H 1 1.964 0.200 . 2 . . . . . . . . 7075 1 109 . 1 1 11 11 GLN CG C 13 33.845 0.400 . 1 . . . . . . . . 7075 1 110 . 1 1 11 11 GLN HG2 H 1 2.344 0.200 . 2 . . . . . . . . 7075 1 111 . 1 1 11 11 GLN HG3 H 1 2.290 0.200 . 2 . . . . . . . . 7075 1 112 . 1 1 11 11 GLN NE2 N 15 111.900 0.400 . 1 . . . . . . . . 7075 1 113 . 1 1 11 11 GLN HE21 H 1 6.617 0.200 . 2 . . . . . . . . 7075 1 114 . 1 1 11 11 GLN HE22 H 1 7.627 0.200 . 2 . . . . . . . . 7075 1 115 . 1 1 11 11 GLN C C 13 175.492 0.400 . 1 . . . . . . . . 7075 1 116 . 1 1 12 12 PHE N N 15 122.769 0.400 . 1 . . . . . . . . 7075 1 117 . 1 1 12 12 PHE H H 1 9.376 0.200 . 1 . . . . . . . . 7075 1 118 . 1 1 12 12 PHE CA C 13 57.501 0.400 . 1 . . . . . . . . 7075 1 119 . 1 1 12 12 PHE HA H 1 4.835 0.200 . 1 . . . . . . . . 7075 1 120 . 1 1 12 12 PHE CB C 13 44.644 0.400 . 1 . . . . . . . . 7075 1 121 . 1 1 12 12 PHE HB2 H 1 2.908 0.400 . 1 . . . . . . . . 7075 1 122 . 1 1 12 12 PHE HB3 H 1 2.908 0.400 . 1 . . . . . . . . 7075 1 123 . 1 1 12 12 PHE CD1 C 13 131.700 0.400 . 1 . . . . . . . . 7075 1 124 . 1 1 12 12 PHE HD1 H 1 6.945 0.200 . 1 . . . . . . . . 7075 1 125 . 1 1 12 12 PHE CE1 C 13 131.500 0.400 . 1 . . . . . . . . 7075 1 126 . 1 1 12 12 PHE HE1 H 1 7.131 0.200 . 1 . . . . . . . . 7075 1 127 . 1 1 12 12 PHE C C 13 173.250 0.400 . 1 . . . . . . . . 7075 1 128 . 1 1 13 13 GLN N N 15 115.339 0.400 . 1 . . . . . . . . 7075 1 129 . 1 1 13 13 GLN H H 1 9.570 0.200 . 1 . . . . . . . . 7075 1 130 . 1 1 13 13 GLN CA C 13 53.718 0.400 . 1 . . . . . . . . 7075 1 131 . 1 1 13 13 GLN HA H 1 5.380 0.200 . 1 . . . . . . . . 7075 1 132 . 1 1 13 13 GLN CB C 13 32.529 0.400 . 1 . . . . . . . . 7075 1 133 . 1 1 13 13 GLN HB2 H 1 1.921 0.200 . 2 . . . . . . . . 7075 1 134 . 1 1 13 13 GLN HB3 H 1 2.263 0.200 . 2 . . . . . . . . 7075 1 135 . 1 1 13 13 GLN CG C 13 33.103 0.400 . 1 . . . . . . . . 7075 1 136 . 1 1 13 13 GLN HG2 H 1 2.425 0.200 . 2 . . . . . . . . 7075 1 137 . 1 1 13 13 GLN HG3 H 1 2.170 0.200 . 2 . . . . . . . . 7075 1 138 . 1 1 13 13 GLN NE2 N 15 113.300 0.400 . 1 . . . . . . . . 7075 1 139 . 1 1 13 13 GLN HE21 H 1 6.994 0.200 . 2 . . . . . . . . 7075 1 140 . 1 1 13 13 GLN HE22 H 1 7.520 0.200 . 2 . . . . . . . . 7075 1 141 . 1 1 13 13 GLN C C 13 175.328 0.400 . 1 . . . . . . . . 7075 1 142 . 1 1 14 14 VAL N N 15 121.850 0.400 . 1 . . . . . . . . 7075 1 143 . 1 1 14 14 VAL H H 1 8.906 0.200 . 1 . . . . . . . . 7075 1 144 . 1 1 14 14 VAL CA C 13 62.894 0.400 . 1 . . . . . . . . 7075 1 145 . 1 1 14 14 VAL HA H 1 4.765 0.200 . 1 . . . . . . . . 7075 1 146 . 1 1 14 14 VAL CB C 13 32.529 0.400 . 1 . . . . . . . . 7075 1 147 . 1 1 14 14 VAL HB H 1 1.993 0.200 . 1 . . . . . . . . 7075 1 148 . 1 1 14 14 VAL HG11 H 1 1.355 0.400 . 2 . . . . . . . . 7075 1 149 . 1 1 14 14 VAL HG12 H 1 1.355 0.400 . 2 . . . . . . . . 7075 1 150 . 1 1 14 14 VAL HG13 H 1 1.355 0.400 . 2 . . . . . . . . 7075 1 151 . 1 1 14 14 VAL HG21 H 1 1.050 0.400 . 2 . . . . . . . . 7075 1 152 . 1 1 14 14 VAL HG22 H 1 1.050 0.400 . 2 . . . . . . . . 7075 1 153 . 1 1 14 14 VAL HG23 H 1 1.050 0.400 . 2 . . . . . . . . 7075 1 154 . 1 1 14 14 VAL CG1 C 13 22.596 0.400 . 1 . . . . . . . . 7075 1 155 . 1 1 14 14 VAL CG2 C 13 22.834 0.400 . 1 . . . . . . . . 7075 1 156 . 1 1 14 14 VAL C C 13 176.463 0.400 . 1 . . . . . . . . 7075 1 157 . 1 1 15 15 VAL N N 15 123.149 0.400 . 1 . . . . . . . . 7075 1 158 . 1 1 15 15 VAL H H 1 9.124 0.200 . 1 . . . . . . . . 7075 1 159 . 1 1 15 15 VAL CA C 13 58.838 0.400 . 1 . . . . . . . . 7075 1 160 . 1 1 15 15 VAL HA H 1 5.532 0.200 . 1 . . . . . . . . 7075 1 161 . 1 1 15 15 VAL CB C 13 35.874 0.400 . 1 . . . . . . . . 7075 1 162 . 1 1 15 15 VAL HB H 1 2.243 0.200 . 1 . . . . . . . . 7075 1 163 . 1 1 15 15 VAL HG11 H 1 0.473 0.400 . 2 . . . . . . . . 7075 1 164 . 1 1 15 15 VAL HG12 H 1 0.473 0.400 . 2 . . . . . . . . 7075 1 165 . 1 1 15 15 VAL HG13 H 1 0.473 0.400 . 2 . . . . . . . . 7075 1 166 . 1 1 15 15 VAL HG21 H 1 0.763 0.400 . 2 . . . . . . . . 7075 1 167 . 1 1 15 15 VAL HG22 H 1 0.763 0.400 . 2 . . . . . . . . 7075 1 168 . 1 1 15 15 VAL HG23 H 1 0.763 0.400 . 2 . . . . . . . . 7075 1 169 . 1 1 15 15 VAL CG1 C 13 19.288 0.400 . 1 . . . . . . . . 7075 1 170 . 1 1 15 15 VAL CG2 C 13 22.563 0.400 . 1 . . . . . . . . 7075 1 171 . 1 1 15 15 VAL C C 13 172.920 0.400 . 1 . . . . . . . . 7075 1 172 . 1 1 16 16 VAL N N 15 120.297 0.400 . 1 . . . . . . . . 7075 1 173 . 1 1 16 16 VAL H H 1 9.360 0.200 . 1 . . . . . . . . 7075 1 174 . 1 1 16 16 VAL CA C 13 58.686 0.400 . 1 . . . . . . . . 7075 1 175 . 1 1 16 16 VAL HA H 1 5.280 0.200 . 1 . . . . . . . . 7075 1 176 . 1 1 16 16 VAL CB C 13 36.381 0.400 . 1 . . . . . . . . 7075 1 177 . 1 1 16 16 VAL HB H 1 1.419 0.200 . 1 . . . . . . . . 7075 1 178 . 1 1 16 16 VAL HG11 H 1 0.575 0.400 . 2 . . . . . . . . 7075 1 179 . 1 1 16 16 VAL HG12 H 1 0.575 0.400 . 2 . . . . . . . . 7075 1 180 . 1 1 16 16 VAL HG13 H 1 0.575 0.400 . 2 . . . . . . . . 7075 1 181 . 1 1 16 16 VAL HG21 H 1 0.234 0.400 . 2 . . . . . . . . 7075 1 182 . 1 1 16 16 VAL HG22 H 1 0.234 0.400 . 2 . . . . . . . . 7075 1 183 . 1 1 16 16 VAL HG23 H 1 0.234 0.400 . 2 . . . . . . . . 7075 1 184 . 1 1 16 16 VAL CG1 C 13 19.076 0.400 . 1 . . . . . . . . 7075 1 185 . 1 1 16 16 VAL CG2 C 13 20.450 0.400 . 1 . . . . . . . . 7075 1 186 . 1 1 16 16 VAL C C 13 173.975 0.400 . 1 . . . . . . . . 7075 1 187 . 1 1 17 17 ASN N N 15 125.976 0.400 . 1 . . . . . . . . 7075 1 188 . 1 1 17 17 ASN H H 1 7.502 0.200 . 1 . . . . . . . . 7075 1 189 . 1 1 17 17 ASN CA C 13 50.070 0.400 . 1 . . . . . . . . 7075 1 190 . 1 1 17 17 ASN HA H 1 4.530 0.200 . 1 . . . . . . . . 7075 1 191 . 1 1 17 17 ASN CB C 13 36.870 0.400 . 1 . . . . . . . . 7075 1 192 . 1 1 17 17 ASN HB2 H 1 -0.095 0.200 . 2 . . . . . . . . 7075 1 193 . 1 1 17 17 ASN HB3 H 1 2.218 0.200 . 2 . . . . . . . . 7075 1 194 . 1 1 17 17 ASN ND2 N 15 111.600 0.400 . 1 . . . . . . . . 7075 1 195 . 1 1 17 17 ASN HD21 H 1 6.361 0.200 . 2 . . . . . . . . 7075 1 196 . 1 1 17 17 ASN HD22 H 1 7.267 0.200 . 2 . . . . . . . . 7075 1 197 . 1 1 18 18 HIS CA C 13 58.661 0.400 . 1 . . . . . . . . 7075 1 198 . 1 1 18 18 HIS HA H 1 4.236 0.200 . 1 . . . . . . . . 7075 1 199 . 1 1 18 18 HIS CB C 13 29.918 0.400 . 1 . . . . . . . . 7075 1 200 . 1 1 18 18 HIS HB2 H 1 2.954 0.200 . 2 . . . . . . . . 7075 1 201 . 1 1 18 18 HIS HB3 H 1 3.058 0.200 . 2 . . . . . . . . 7075 1 202 . 1 1 18 18 HIS CD2 C 13 119.200 0.400 . 1 . . . . . . . . 7075 1 203 . 1 1 18 18 HIS HD2 H 1 6.889 0.200 . 1 . . . . . . . . 7075 1 204 . 1 1 18 18 HIS C C 13 176.142 0.400 . 1 . . . . . . . . 7075 1 205 . 1 1 19 19 GLU N N 15 118.547 0.400 . 1 . . . . . . . . 7075 1 206 . 1 1 19 19 GLU H H 1 6.919 0.200 . 1 . . . . . . . . 7075 1 207 . 1 1 19 19 GLU CA C 13 55.366 0.400 . 1 . . . . . . . . 7075 1 208 . 1 1 19 19 GLU HA H 1 4.489 0.200 . 1 . . . . . . . . 7075 1 209 . 1 1 19 19 GLU CB C 13 29.563 0.400 . 1 . . . . . . . . 7075 1 210 . 1 1 19 19 GLU HB2 H 1 1.490 0.200 . 2 . . . . . . . . 7075 1 211 . 1 1 19 19 GLU HB3 H 1 2.113 0.200 . 2 . . . . . . . . 7075 1 212 . 1 1 19 19 GLU CG C 13 35.326 0.400 . 1 . . . . . . . . 7075 1 213 . 1 1 19 19 GLU HG2 H 1 1.726 0.200 . 2 . . . . . . . . 7075 1 214 . 1 1 19 19 GLU HG3 H 1 1.794 0.200 . 2 . . . . . . . . 7075 1 215 . 1 1 19 19 GLU C C 13 175.116 0.400 . 1 . . . . . . . . 7075 1 216 . 1 1 20 20 GLU N N 15 114.776 0.400 . 1 . . . . . . . . 7075 1 217 . 1 1 20 20 GLU H H 1 7.833 0.200 . 1 . . . . . . . . 7075 1 218 . 1 1 20 20 GLU CA C 13 57.343 0.400 . 1 . . . . . . . . 7075 1 219 . 1 1 20 20 GLU HA H 1 3.228 0.200 . 1 . . . . . . . . 7075 1 220 . 1 1 20 20 GLU CB C 13 26.827 0.400 . 1 . . . . . . . . 7075 1 221 . 1 1 20 20 GLU HB2 H 1 2.045 0.200 . 2 . . . . . . . . 7075 1 222 . 1 1 20 20 GLU HB3 H 1 2.293 0.200 . 2 . . . . . . . . 7075 1 223 . 1 1 20 20 GLU CG C 13 37.124 0.400 . 1 . . . . . . . . 7075 1 224 . 1 1 20 20 GLU HG2 H 1 2.118 0.200 . 2 . . . . . . . . 7075 1 225 . 1 1 20 20 GLU HG3 H 1 2.056 0.200 . 2 . . . . . . . . 7075 1 226 . 1 1 20 20 GLU C C 13 173.968 0.400 . 1 . . . . . . . . 7075 1 227 . 1 1 21 21 GLN N N 15 114.380 0.400 . 1 . . . . . . . . 7075 1 228 . 1 1 21 21 GLN H H 1 7.342 0.200 . 1 . . . . . . . . 7075 1 229 . 1 1 21 21 GLN CA C 13 53.810 0.400 . 1 . . . . . . . . 7075 1 230 . 1 1 21 21 GLN HA H 1 4.034 0.200 . 1 . . . . . . . . 7075 1 231 . 1 1 21 21 GLN CB C 13 29.480 0.400 . 1 . . . . . . . . 7075 1 232 . 1 1 21 21 GLN HB2 H 1 1.850 0.200 . 2 . . . . . . . . 7075 1 233 . 1 1 21 21 GLN HB3 H 1 1.703 0.200 . 2 . . . . . . . . 7075 1 234 . 1 1 21 21 GLN NE2 N 15 112.800 0.400 . 1 . . . . . . . . 7075 1 235 . 1 1 21 21 GLN HE21 H 1 6.996 0.200 . 2 . . . . . . . . 7075 1 236 . 1 1 21 21 GLN HE22 H 1 7.737 0.200 . 2 . . . . . . . . 7075 1 237 . 1 1 22 22 TYR CA C 13 57.470 0.400 . 1 . . . . . . . . 7075 1 238 . 1 1 22 22 TYR HA H 1 5.456 0.200 . 1 . . . . . . . . 7075 1 239 . 1 1 22 22 TYR CB C 13 43.329 0.400 . 1 . . . . . . . . 7075 1 240 . 1 1 22 22 TYR HB2 H 1 2.728 0.200 . 2 . . . . . . . . 7075 1 241 . 1 1 22 22 TYR HB3 H 1 2.592 0.200 . 2 . . . . . . . . 7075 1 242 . 1 1 22 22 TYR CD1 C 13 132.630 0.400 . 1 . . . . . . . . 7075 1 243 . 1 1 22 22 TYR HD1 H 1 6.571 0.200 . 1 . . . . . . . . 7075 1 244 . 1 1 22 22 TYR CE1 C 13 117.600 0.400 . 1 . . . . . . . . 7075 1 245 . 1 1 22 22 TYR HE1 H 1 6.551 0.200 . 1 . . . . . . . . 7075 1 246 . 1 1 22 22 TYR C C 13 176.094 0.400 . 1 . . . . . . . . 7075 1 247 . 1 1 23 23 SER N N 15 113.234 0.400 . 1 . . . . . . . . 7075 1 248 . 1 1 23 23 SER H H 1 9.105 0.200 . 1 . . . . . . . . 7075 1 249 . 1 1 23 23 SER CA C 13 56.380 0.400 . 1 . . . . . . . . 7075 1 250 . 1 1 23 23 SER HA H 1 4.603 0.200 . 1 . . . . . . . . 7075 1 251 . 1 1 23 23 SER CB C 13 64.845 0.400 . 1 . . . . . . . . 7075 1 252 . 1 1 23 23 SER HB2 H 1 3.118 0.200 . 2 . . . . . . . . 7075 1 253 . 1 1 23 23 SER HB3 H 1 3.754 0.200 . 2 . . . . . . . . 7075 1 254 . 1 1 23 23 SER C C 13 174.200 0.400 . 1 . . . . . . . . 7075 1 255 . 1 1 24 24 ILE N N 15 113.113 0.400 . 1 . . . . . . . . 7075 1 256 . 1 1 24 24 ILE H H 1 8.475 0.200 . 1 . . . . . . . . 7075 1 257 . 1 1 24 24 ILE CA C 13 59.715 0.400 . 1 . . . . . . . . 7075 1 258 . 1 1 24 24 ILE HA H 1 5.576 0.200 . 1 . . . . . . . . 7075 1 259 . 1 1 24 24 ILE CB C 13 42.034 0.400 . 1 . . . . . . . . 7075 1 260 . 1 1 24 24 ILE HB H 1 1.711 0.200 . 1 . . . . . . . . 7075 1 261 . 1 1 24 24 ILE HG21 H 1 0.770 0.400 . 1 . . . . . . . . 7075 1 262 . 1 1 24 24 ILE HG22 H 1 0.770 0.400 . 1 . . . . . . . . 7075 1 263 . 1 1 24 24 ILE HG23 H 1 0.770 0.400 . 1 . . . . . . . . 7075 1 264 . 1 1 24 24 ILE CG2 C 13 19.110 0.400 . 1 . . . . . . . . 7075 1 265 . 1 1 24 24 ILE HD11 H 1 0.117 0.400 . 1 . . . . . . . . 7075 1 266 . 1 1 24 24 ILE HD12 H 1 0.117 0.400 . 1 . . . . . . . . 7075 1 267 . 1 1 24 24 ILE HD13 H 1 0.117 0.400 . 1 . . . . . . . . 7075 1 268 . 1 1 24 24 ILE CD1 C 13 13.384 0.400 . 1 . . . . . . . . 7075 1 269 . 1 1 24 24 ILE C C 13 174.480 0.400 . 1 . . . . . . . . 7075 1 270 . 1 1 25 25 TRP N N 15 122.864 0.400 . 1 . . . . . . . . 7075 1 271 . 1 1 25 25 TRP H H 1 9.088 0.200 . 1 . . . . . . . . 7075 1 272 . 1 1 25 25 TRP CA C 13 53.930 0.400 . 1 . . . . . . . . 7075 1 273 . 1 1 25 25 TRP HA H 1 5.385 0.200 . 1 . . . . . . . . 7075 1 274 . 1 1 25 25 TRP CB C 13 35.704 0.400 . 1 . . . . . . . . 7075 1 275 . 1 1 25 25 TRP HB2 H 1 2.880 0.200 . 2 . . . . . . . . 7075 1 276 . 1 1 25 25 TRP HB3 H 1 3.026 0.200 . 2 . . . . . . . . 7075 1 277 . 1 1 25 25 TRP CD1 C 13 127.400 0.400 . 1 . . . . . . . . 7075 1 278 . 1 1 25 25 TRP NE1 N 15 129.100 0.400 . 1 . . . . . . . . 7075 1 279 . 1 1 25 25 TRP HD1 H 1 7.042 0.200 . 1 . . . . . . . . 7075 1 280 . 1 1 25 25 TRP CZ2 C 13 114.500 0.400 . 1 . . . . . . . . 7075 1 281 . 1 1 25 25 TRP HE1 H 1 8.967 0.200 . 1 . . . . . . . . 7075 1 282 . 1 1 25 25 TRP CH2 C 13 124.800 0.400 . 1 . . . . . . . . 7075 1 283 . 1 1 25 25 TRP HZ2 H 1 7.334 0.200 . 1 . . . . . . . . 7075 1 284 . 1 1 25 25 TRP HH2 H 1 7.070 0.200 . 1 . . . . . . . . 7075 1 285 . 1 1 26 26 PRO CD C 13 50.205 0.400 . 1 . . . . . . . . 7075 1 286 . 1 1 26 26 PRO CA C 13 63.481 0.400 . 1 . . . . . . . . 7075 1 287 . 1 1 26 26 PRO HA H 1 3.688 0.200 . 1 . . . . . . . . 7075 1 288 . 1 1 26 26 PRO CB C 13 31.768 0.400 . 1 . . . . . . . . 7075 1 289 . 1 1 26 26 PRO HB2 H 1 0.878 0.200 . 2 . . . . . . . . 7075 1 290 . 1 1 26 26 PRO HB3 H 1 1.514 0.200 . 2 . . . . . . . . 7075 1 291 . 1 1 26 26 PRO CG C 13 27.691 0.400 . 1 . . . . . . . . 7075 1 292 . 1 1 26 26 PRO HG2 H 1 1.057 0.400 . 1 . . . . . . . . 7075 1 293 . 1 1 26 26 PRO HG3 H 1 1.057 0.400 . 1 . . . . . . . . 7075 1 294 . 1 1 26 26 PRO HD2 H 1 2.924 0.200 . 2 . . . . . . . . 7075 1 295 . 1 1 26 26 PRO HD3 H 1 1.526 0.200 . 2 . . . . . . . . 7075 1 296 . 1 1 26 26 PRO C C 13 176.764 0.400 . 1 . . . . . . . . 7075 1 297 . 1 1 27 27 GLU N N 15 123.576 0.400 . 1 . . . . . . . . 7075 1 298 . 1 1 27 27 GLU H H 1 8.292 0.200 . 1 . . . . . . . . 7075 1 299 . 1 1 27 27 GLU CA C 13 58.973 0.400 . 1 . . . . . . . . 7075 1 300 . 1 1 27 27 GLU HA H 1 3.841 0.200 . 1 . . . . . . . . 7075 1 301 . 1 1 27 27 GLU CB C 13 29.820 0.400 . 1 . . . . . . . . 7075 1 302 . 1 1 27 27 GLU HB2 H 1 1.497 0.200 . 2 . . . . . . . . 7075 1 303 . 1 1 27 27 GLU HB3 H 1 1.643 0.200 . 2 . . . . . . . . 7075 1 304 . 1 1 27 27 GLU CG C 13 36.089 0.400 . 1 . . . . . . . . 7075 1 305 . 1 1 27 27 GLU HG2 H 1 1.902 0.200 . 2 . . . . . . . . 7075 1 306 . 1 1 27 27 GLU HG3 H 1 1.941 0.200 . 2 . . . . . . . . 7075 1 307 . 1 1 27 27 GLU C C 13 176.400 0.400 . 1 . . . . . . . . 7075 1 308 . 1 1 28 28 TYR N N 15 112.100 0.400 . 1 . . . . . . . . 7075 1 309 . 1 1 28 28 TYR H H 1 7.614 0.200 . 1 . . . . . . . . 7075 1 310 . 1 1 28 28 TYR CA C 13 57.495 0.400 . 1 . . . . . . . . 7075 1 311 . 1 1 28 28 TYR HA H 1 4.413 0.200 . 1 . . . . . . . . 7075 1 312 . 1 1 28 28 TYR CB C 13 36.812 0.400 . 1 . . . . . . . . 7075 1 313 . 1 1 28 28 TYR HB2 H 1 2.937 0.200 . 2 . . . . . . . . 7075 1 314 . 1 1 28 28 TYR HB3 H 1 3.171 0.200 . 2 . . . . . . . . 7075 1 315 . 1 1 28 28 TYR CD1 C 13 133.500 0.400 . 1 . . . . . . . . 7075 1 316 . 1 1 28 28 TYR HD1 H 1 7.044 0.200 . 1 . . . . . . . . 7075 1 317 . 1 1 28 28 TYR CE1 C 13 118.200 0.400 . 1 . . . . . . . . 7075 1 318 . 1 1 28 28 TYR HE1 H 1 6.645 0.200 . 1 . . . . . . . . 7075 1 319 . 1 1 28 28 TYR C C 13 174.733 0.400 . 1 . . . . . . . . 7075 1 320 . 1 1 29 29 LYS N N 15 121.414 0.400 . 1 . . . . . . . . 7075 1 321 . 1 1 29 29 LYS H H 1 6.792 0.200 . 1 . . . . . . . . 7075 1 322 . 1 1 29 29 LYS CA C 13 54.834 0.400 . 1 . . . . . . . . 7075 1 323 . 1 1 29 29 LYS HA H 1 4.429 0.200 . 1 . . . . . . . . 7075 1 324 . 1 1 29 29 LYS CB C 13 35.368 0.400 . 1 . . . . . . . . 7075 1 325 . 1 1 29 29 LYS HB2 H 1 1.084 0.200 . 2 . . . . . . . . 7075 1 326 . 1 1 29 29 LYS HB3 H 1 1.666 0.200 . 2 . . . . . . . . 7075 1 327 . 1 1 29 29 LYS CG C 13 25.167 0.400 . 1 . . . . . . . . 7075 1 328 . 1 1 29 29 LYS HG2 H 1 1.226 0.200 . 2 . . . . . . . . 7075 1 329 . 1 1 29 29 LYS HG3 H 1 0.988 0.200 . 2 . . . . . . . . 7075 1 330 . 1 1 29 29 LYS CD C 13 29.163 0.400 . 1 . . . . . . . . 7075 1 331 . 1 1 29 29 LYS HD2 H 1 1.221 0.400 . 1 . . . . . . . . 7075 1 332 . 1 1 29 29 LYS HD3 H 1 1.221 0.400 . 1 . . . . . . . . 7075 1 333 . 1 1 29 29 LYS CE C 13 41.904 0.400 . 1 . . . . . . . . 7075 1 334 . 1 1 29 29 LYS HE2 H 1 2.858 0.400 . 1 . . . . . . . . 7075 1 335 . 1 1 29 29 LYS HE3 H 1 2.858 0.400 . 1 . . . . . . . . 7075 1 336 . 1 1 29 29 LYS C C 13 175.807 0.400 . 1 . . . . . . . . 7075 1 337 . 1 1 30 30 GLU N N 15 125.287 0.400 . 1 . . . . . . . . 7075 1 338 . 1 1 30 30 GLU H H 1 8.770 0.200 . 1 . . . . . . . . 7075 1 339 . 1 1 30 30 GLU CA C 13 57.130 0.400 . 1 . . . . . . . . 7075 1 340 . 1 1 30 30 GLU HA H 1 4.130 0.200 . 1 . . . . . . . . 7075 1 341 . 1 1 30 30 GLU CB C 13 29.870 0.400 . 1 . . . . . . . . 7075 1 342 . 1 1 30 30 GLU HB2 H 1 1.982 0.400 . 1 . . . . . . . . 7075 1 343 . 1 1 30 30 GLU HB3 H 1 1.982 0.400 . 1 . . . . . . . . 7075 1 344 . 1 1 30 30 GLU CG C 13 36.318 0.400 . 1 . . . . . . . . 7075 1 345 . 1 1 30 30 GLU HG2 H 1 2.338 0.400 . 1 . . . . . . . . 7075 1 346 . 1 1 30 30 GLU HG3 H 1 2.338 0.400 . 1 . . . . . . . . 7075 1 347 . 1 1 30 30 GLU C C 13 177.300 0.400 . 1 . . . . . . . . 7075 1 348 . 1 1 31 31 ILE N N 15 129.300 0.400 . 1 . . . . . . . . 7075 1 349 . 1 1 31 31 ILE H H 1 8.754 0.200 . 1 . . . . . . . . 7075 1 350 . 1 1 31 31 ILE CA C 13 60.038 0.400 . 1 . . . . . . . . 7075 1 351 . 1 1 31 31 ILE HA H 1 3.438 0.200 . 1 . . . . . . . . 7075 1 352 . 1 1 31 31 ILE CB C 13 38.833 0.400 . 1 . . . . . . . . 7075 1 353 . 1 1 31 31 ILE HB H 1 1.612 0.200 . 1 . . . . . . . . 7075 1 354 . 1 1 31 31 ILE HG21 H 1 0.645 0.400 . 1 . . . . . . . . 7075 1 355 . 1 1 31 31 ILE HG22 H 1 0.645 0.400 . 1 . . . . . . . . 7075 1 356 . 1 1 31 31 ILE HG23 H 1 0.645 0.400 . 1 . . . . . . . . 7075 1 357 . 1 1 31 31 ILE CG2 C 13 17.730 0.400 . 1 . . . . . . . . 7075 1 358 . 1 1 31 31 ILE CG1 C 13 29.362 0.400 . 1 . . . . . . . . 7075 1 359 . 1 1 31 31 ILE HG12 H 1 0.771 0.200 . 2 . . . . . . . . 7075 1 360 . 1 1 31 31 ILE HG13 H 1 1.814 0.200 . 2 . . . . . . . . 7075 1 361 . 1 1 31 31 ILE HD11 H 1 0.835 0.400 . 1 . . . . . . . . 7075 1 362 . 1 1 31 31 ILE HD12 H 1 0.835 0.400 . 1 . . . . . . . . 7075 1 363 . 1 1 31 31 ILE HD13 H 1 0.835 0.400 . 1 . . . . . . . . 7075 1 364 . 1 1 31 31 ILE CD1 C 13 13.647 0.400 . 1 . . . . . . . . 7075 1 365 . 1 1 32 32 PRO CD C 13 49.976 0.400 . 1 . . . . . . . . 7075 1 366 . 1 1 32 32 PRO CA C 13 62.666 0.400 . 1 . . . . . . . . 7075 1 367 . 1 1 32 32 PRO HA H 1 4.198 0.200 . 1 . . . . . . . . 7075 1 368 . 1 1 32 32 PRO CB C 13 32.301 0.400 . 1 . . . . . . . . 7075 1 369 . 1 1 32 32 PRO HB2 H 1 1.422 0.200 . 2 . . . . . . . . 7075 1 370 . 1 1 32 32 PRO HB3 H 1 1.917 0.200 . 2 . . . . . . . . 7075 1 371 . 1 1 32 32 PRO CG C 13 26.953 0.400 . 1 . . . . . . . . 7075 1 372 . 1 1 32 32 PRO HG2 H 1 0.670 0.200 . 2 . . . . . . . . 7075 1 373 . 1 1 32 32 PRO HG3 H 1 0.609 0.200 . 2 . . . . . . . . 7075 1 374 . 1 1 32 32 PRO HD2 H 1 1.992 0.400 . 1 . . . . . . . . 7075 1 375 . 1 1 32 32 PRO HD3 H 1 1.992 0.400 . 1 . . . . . . . . 7075 1 376 . 1 1 32 32 PRO C C 13 175.403 0.400 . 1 . . . . . . . . 7075 1 377 . 1 1 33 33 GLN N N 15 119.909 0.400 . 1 . . . . . . . . 7075 1 378 . 1 1 33 33 GLN H H 1 8.340 0.200 . 1 . . . . . . . . 7075 1 379 . 1 1 33 33 GLN CA C 13 57.320 0.400 . 1 . . . . . . . . 7075 1 380 . 1 1 33 33 GLN HA H 1 4.095 0.200 . 1 . . . . . . . . 7075 1 381 . 1 1 33 33 GLN CB C 13 28.882 0.400 . 1 . . . . . . . . 7075 1 382 . 1 1 33 33 GLN HB2 H 1 2.007 0.200 . 2 . . . . . . . . 7075 1 383 . 1 1 33 33 GLN HB3 H 1 2.075 0.200 . 2 . . . . . . . . 7075 1 384 . 1 1 33 33 GLN CG C 13 33.765 0.400 . 1 . . . . . . . . 7075 1 385 . 1 1 33 33 GLN HG2 H 1 2.442 0.400 . 1 . . . . . . . . 7075 1 386 . 1 1 33 33 GLN HG3 H 1 2.442 0.400 . 1 . . . . . . . . 7075 1 387 . 1 1 33 33 GLN NE2 N 15 112.900 0.400 . 1 . . . . . . . . 7075 1 388 . 1 1 33 33 GLN HE21 H 1 6.921 0.200 . 2 . . . . . . . . 7075 1 389 . 1 1 33 33 GLN HE22 H 1 7.668 0.200 . 2 . . . . . . . . 7075 1 390 . 1 1 34 34 GLY CA C 13 44.640 0.400 . 1 . . . . . . . . 7075 1 391 . 1 1 34 34 GLY HA2 H 1 3.516 0.200 . 2 . . . . . . . . 7075 1 392 . 1 1 34 34 GLY HA3 H 1 4.273 0.200 . 2 . . . . . . . . 7075 1 393 . 1 1 34 34 GLY C C 13 173.500 0.400 . 1 . . . . . . . . 7075 1 394 . 1 1 35 35 TRP N N 15 120.800 0.400 . 1 . . . . . . . . 7075 1 395 . 1 1 35 35 TRP H H 1 7.995 0.200 . 1 . . . . . . . . 7075 1 396 . 1 1 35 35 TRP CA C 13 55.822 0.400 . 1 . . . . . . . . 7075 1 397 . 1 1 35 35 TRP HA H 1 4.730 0.200 . 1 . . . . . . . . 7075 1 398 . 1 1 35 35 TRP CB C 13 31.135 0.400 . 1 . . . . . . . . 7075 1 399 . 1 1 35 35 TRP HB2 H 1 2.594 0.200 . 2 . . . . . . . . 7075 1 400 . 1 1 35 35 TRP HB3 H 1 2.873 0.200 . 2 . . . . . . . . 7075 1 401 . 1 1 35 35 TRP CD1 C 13 126.600 0.400 . 1 . . . . . . . . 7075 1 402 . 1 1 35 35 TRP NE1 N 15 129.900 0.400 . 1 . . . . . . . . 7075 1 403 . 1 1 35 35 TRP HD1 H 1 6.855 0.200 . 1 . . . . . . . . 7075 1 404 . 1 1 35 35 TRP CZ3 C 13 122.800 0.400 . 1 . . . . . . . . 7075 1 405 . 1 1 35 35 TRP CZ2 C 13 114.400 0.400 . 1 . . . . . . . . 7075 1 406 . 1 1 35 35 TRP HE1 H 1 10.095 0.200 . 1 . . . . . . . . 7075 1 407 . 1 1 35 35 TRP HZ3 H 1 6.734 0.200 . 1 . . . . . . . . 7075 1 408 . 1 1 35 35 TRP CH2 C 13 123.800 0.400 . 1 . . . . . . . . 7075 1 409 . 1 1 35 35 TRP HZ2 H 1 7.213 0.200 . 1 . . . . . . . . 7075 1 410 . 1 1 35 35 TRP HH2 H 1 6.640 0.200 . 1 . . . . . . . . 7075 1 411 . 1 1 35 35 TRP C C 13 174.364 0.400 . 1 . . . . . . . . 7075 1 412 . 1 1 36 36 ARG N N 15 117.359 0.400 . 1 . . . . . . . . 7075 1 413 . 1 1 36 36 ARG H H 1 8.993 0.200 . 1 . . . . . . . . 7075 1 414 . 1 1 36 36 ARG CA C 13 53.820 0.400 . 1 . . . . . . . . 7075 1 415 . 1 1 36 36 ARG HA H 1 4.803 0.200 . 1 . . . . . . . . 7075 1 416 . 1 1 36 36 ARG CB C 13 33.441 0.400 . 1 . . . . . . . . 7075 1 417 . 1 1 36 36 ARG HB2 H 1 1.735 0.200 . 2 . . . . . . . . 7075 1 418 . 1 1 36 36 ARG HB3 H 1 1.669 0.200 . 2 . . . . . . . . 7075 1 419 . 1 1 36 36 ARG CG C 13 26.558 0.400 . 1 . . . . . . . . 7075 1 420 . 1 1 36 36 ARG HG2 H 1 1.601 0.200 . 2 . . . . . . . . 7075 1 421 . 1 1 36 36 ARG HG3 H 1 1.241 0.200 . 2 . . . . . . . . 7075 1 422 . 1 1 36 36 ARG CD C 13 43.287 0.400 . 1 . . . . . . . . 7075 1 423 . 1 1 36 36 ARG HD2 H 1 3.020 0.400 . 1 . . . . . . . . 7075 1 424 . 1 1 36 36 ARG HD3 H 1 3.020 0.400 . 1 . . . . . . . . 7075 1 425 . 1 1 36 36 ARG C C 13 174.781 0.400 . 1 . . . . . . . . 7075 1 426 . 1 1 37 37 ALA N N 15 124.305 0.400 . 1 . . . . . . . . 7075 1 427 . 1 1 37 37 ALA H H 1 8.996 0.200 . 1 . . . . . . . . 7075 1 428 . 1 1 37 37 ALA CA C 13 53.405 0.400 . 1 . . . . . . . . 7075 1 429 . 1 1 37 37 ALA HA H 1 4.429 0.200 . 1 . . . . . . . . 7075 1 430 . 1 1 37 37 ALA HB1 H 1 1.470 0.400 . 1 . . . . . . . . 7075 1 431 . 1 1 37 37 ALA HB2 H 1 1.470 0.400 . 1 . . . . . . . . 7075 1 432 . 1 1 37 37 ALA HB3 H 1 1.470 0.400 . 1 . . . . . . . . 7075 1 433 . 1 1 37 37 ALA CB C 13 18.385 0.400 . 1 . . . . . . . . 7075 1 434 . 1 1 37 37 ALA C C 13 178.116 0.400 . 1 . . . . . . . . 7075 1 435 . 1 1 38 38 ALA N N 15 124.874 0.400 . 1 . . . . . . . . 7075 1 436 . 1 1 38 38 ALA H H 1 8.652 0.200 . 1 . . . . . . . . 7075 1 437 . 1 1 38 38 ALA CA C 13 52.400 0.400 . 1 . . . . . . . . 7075 1 438 . 1 1 38 38 ALA HA H 1 4.484 0.200 . 1 . . . . . . . . 7075 1 439 . 1 1 38 38 ALA HB1 H 1 1.470 0.400 . 1 . . . . . . . . 7075 1 440 . 1 1 38 38 ALA HB2 H 1 1.470 0.400 . 1 . . . . . . . . 7075 1 441 . 1 1 38 38 ALA HB3 H 1 1.470 0.400 . 1 . . . . . . . . 7075 1 442 . 1 1 38 38 ALA CB C 13 20.261 0.400 . 1 . . . . . . . . 7075 1 443 . 1 1 38 38 ALA C C 13 177.324 0.400 . 1 . . . . . . . . 7075 1 444 . 1 1 39 39 GLY N N 15 126.507 0.400 . 1 . . . . . . . . 7075 1 445 . 1 1 39 39 GLY H H 1 8.980 0.200 . 1 . . . . . . . . 7075 1 446 . 1 1 39 39 GLY CA C 13 45.683 0.400 . 1 . . . . . . . . 7075 1 447 . 1 1 39 39 GLY HA2 H 1 4.279 0.200 . 2 . . . . . . . . 7075 1 448 . 1 1 39 39 GLY HA3 H 1 3.767 0.200 . 2 . . . . . . . . 7075 1 449 . 1 1 40 40 LYS CA C 13 54.986 0.400 . 1 . . . . . . . . 7075 1 450 . 1 1 40 40 LYS HA H 1 4.518 0.200 . 1 . . . . . . . . 7075 1 451 . 1 1 40 40 LYS CB C 13 34.100 0.400 . 1 . . . . . . . . 7075 1 452 . 1 1 40 40 LYS HB2 H 1 0.722 0.400 . 1 . . . . . . . . 7075 1 453 . 1 1 40 40 LYS HB3 H 1 0.722 0.400 . 1 . . . . . . . . 7075 1 454 . 1 1 40 40 LYS C C 13 172.716 0.400 . 1 . . . . . . . . 7075 1 455 . 1 1 41 41 SER N N 15 122.103 0.400 . 1 . . . . . . . . 7075 1 456 . 1 1 41 41 SER H H 1 8.581 0.200 . 1 . . . . . . . . 7075 1 457 . 1 1 41 41 SER CA C 13 56.709 0.400 . 1 . . . . . . . . 7075 1 458 . 1 1 41 41 SER HA H 1 5.500 0.200 . 1 . . . . . . . . 7075 1 459 . 1 1 41 41 SER CB C 13 66.544 0.400 . 1 . . . . . . . . 7075 1 460 . 1 1 41 41 SER HB2 H 1 3.818 0.200 . 2 . . . . . . . . 7075 1 461 . 1 1 41 41 SER HB3 H 1 3.887 0.200 . 2 . . . . . . . . 7075 1 462 . 1 1 41 41 SER C C 13 173.223 0.400 . 1 . . . . . . . . 7075 1 463 . 1 1 42 42 GLY N N 15 127.949 0.400 . 1 . . . . . . . . 7075 1 464 . 1 1 42 42 GLY H H 1 8.892 0.200 . 1 . . . . . . . . 7075 1 465 . 1 1 42 42 GLY CA C 13 45.354 0.400 . 1 . . . . . . . . 7075 1 466 . 1 1 42 42 GLY HA2 H 1 4.119 0.200 . 2 . . . . . . . . 7075 1 467 . 1 1 42 42 GLY HA3 H 1 4.410 0.200 . 2 . . . . . . . . 7075 1 468 . 1 1 42 42 GLY C C 13 172.744 0.400 . 1 . . . . . . . . 7075 1 469 . 1 1 43 43 LEU N N 15 120.947 0.400 . 1 . . . . . . . . 7075 1 470 . 1 1 43 43 LEU H H 1 8.968 0.200 . 1 . . . . . . . . 7075 1 471 . 1 1 43 43 LEU CA C 13 55.303 0.400 . 1 . . . . . . . . 7075 1 472 . 1 1 43 43 LEU HA H 1 4.729 0.200 . 1 . . . . . . . . 7075 1 473 . 1 1 43 43 LEU CB C 13 42.143 0.400 . 1 . . . . . . . . 7075 1 474 . 1 1 43 43 LEU HB2 H 1 1.869 0.400 . 1 . . . . . . . . 7075 1 475 . 1 1 43 43 LEU HB3 H 1 1.869 0.400 . 1 . . . . . . . . 7075 1 476 . 1 1 43 43 LEU CG C 13 27.430 0.400 . 1 . . . . . . . . 7075 1 477 . 1 1 43 43 LEU HG H 1 1.871 0.200 . 1 . . . . . . . . 7075 1 478 . 1 1 43 43 LEU HD11 H 1 0.917 0.400 . 2 . . . . . . . . 7075 1 479 . 1 1 43 43 LEU HD12 H 1 0.917 0.400 . 2 . . . . . . . . 7075 1 480 . 1 1 43 43 LEU HD13 H 1 0.917 0.400 . 2 . . . . . . . . 7075 1 481 . 1 1 43 43 LEU HD21 H 1 1.045 0.400 . 2 . . . . . . . . 7075 1 482 . 1 1 43 43 LEU HD22 H 1 1.045 0.400 . 2 . . . . . . . . 7075 1 483 . 1 1 43 43 LEU HD23 H 1 1.045 0.400 . 2 . . . . . . . . 7075 1 484 . 1 1 43 43 LEU CD1 C 13 22.308 0.400 . 1 . . . . . . . . 7075 1 485 . 1 1 43 43 LEU CD2 C 13 25.761 0.400 . 1 . . . . . . . . 7075 1 486 . 1 1 43 43 LEU C C 13 179.184 0.400 . 1 . . . . . . . . 7075 1 487 . 1 1 44 44 LYS N N 15 125.153 0.400 . 1 . . . . . . . . 7075 1 488 . 1 1 44 44 LYS H H 1 10.041 0.200 . 1 . . . . . . . . 7075 1 489 . 1 1 44 44 LYS CA C 13 62.159 0.400 . 1 . . . . . . . . 7075 1 490 . 1 1 44 44 LYS HA H 1 3.323 0.200 . 1 . . . . . . . . 7075 1 491 . 1 1 44 44 LYS CB C 13 31.996 0.400 . 1 . . . . . . . . 7075 1 492 . 1 1 44 44 LYS HB2 H 1 1.857 0.400 . 1 . . . . . . . . 7075 1 493 . 1 1 44 44 LYS HB3 H 1 1.857 0.400 . 1 . . . . . . . . 7075 1 494 . 1 1 44 44 LYS CG C 13 24.492 0.400 . 1 . . . . . . . . 7075 1 495 . 1 1 44 44 LYS HG2 H 1 1.050 0.200 . 2 . . . . . . . . 7075 1 496 . 1 1 44 44 LYS HG3 H 1 0.603 0.200 . 2 . . . . . . . . 7075 1 497 . 1 1 44 44 LYS CD C 13 29.226 0.400 . 1 . . . . . . . . 7075 1 498 . 1 1 44 44 LYS HD2 H 1 1.451 0.400 . 1 . . . . . . . . 7075 1 499 . 1 1 44 44 LYS HD3 H 1 1.451 0.400 . 1 . . . . . . . . 7075 1 500 . 1 1 44 44 LYS CE C 13 41.798 0.400 . 1 . . . . . . . . 7075 1 501 . 1 1 44 44 LYS HE2 H 1 2.676 0.400 . 1 . . . . . . . . 7075 1 502 . 1 1 44 44 LYS HE3 H 1 2.676 0.400 . 1 . . . . . . . . 7075 1 503 . 1 1 44 44 LYS C C 13 178.603 0.400 . 1 . . . . . . . . 7075 1 504 . 1 1 45 45 LYS N N 15 114.729 0.400 . 1 . . . . . . . . 7075 1 505 . 1 1 45 45 LYS H H 1 8.904 0.200 . 1 . . . . . . . . 7075 1 506 . 1 1 45 45 LYS CA C 13 59.675 0.400 . 1 . . . . . . . . 7075 1 507 . 1 1 45 45 LYS HA H 1 3.944 0.200 . 1 . . . . . . . . 7075 1 508 . 1 1 45 45 LYS CB C 13 31.895 0.400 . 1 . . . . . . . . 7075 1 509 . 1 1 45 45 LYS HB2 H 1 1.780 0.200 . 2 . . . . . . . . 7075 1 510 . 1 1 45 45 LYS HB3 H 1 1.904 0.200 . 2 . . . . . . . . 7075 1 511 . 1 1 45 45 LYS CG C 13 24.692 0.400 . 1 . . . . . . . . 7075 1 512 . 1 1 45 45 LYS HG2 H 1 1.447 0.200 . 2 . . . . . . . . 7075 1 513 . 1 1 45 45 LYS HG3 H 1 1.363 0.200 . 2 . . . . . . . . 7075 1 514 . 1 1 45 45 LYS CD C 13 29.451 0.400 . 1 . . . . . . . . 7075 1 515 . 1 1 45 45 LYS HD2 H 1 1.687 0.400 . 1 . . . . . . . . 7075 1 516 . 1 1 45 45 LYS HD3 H 1 1.687 0.400 . 1 . . . . . . . . 7075 1 517 . 1 1 45 45 LYS CE C 13 42.091 0.400 . 1 . . . . . . . . 7075 1 518 . 1 1 45 45 LYS HE2 H 1 3.001 0.400 . 1 . . . . . . . . 7075 1 519 . 1 1 45 45 LYS HE3 H 1 3.001 0.400 . 1 . . . . . . . . 7075 1 520 . 1 1 45 45 LYS C C 13 178.616 0.400 . 1 . . . . . . . . 7075 1 521 . 1 1 46 46 ASP N N 15 119.941 0.400 . 1 . . . . . . . . 7075 1 522 . 1 1 46 46 ASP H H 1 6.962 0.200 . 1 . . . . . . . . 7075 1 523 . 1 1 46 46 ASP CA C 13 56.937 0.400 . 1 . . . . . . . . 7075 1 524 . 1 1 46 46 ASP HA H 1 4.565 0.200 . 1 . . . . . . . . 7075 1 525 . 1 1 46 46 ASP CB C 13 41.020 0.400 . 1 . . . . . . . . 7075 1 526 . 1 1 46 46 ASP HB2 H 1 2.785 0.400 . 1 . . . . . . . . 7075 1 527 . 1 1 46 46 ASP HB3 H 1 2.785 0.400 . 1 . . . . . . . . 7075 1 528 . 1 1 46 46 ASP C C 13 179.341 0.400 . 1 . . . . . . . . 7075 1 529 . 1 1 47 47 CYS N N 15 119.782 0.400 . 1 . . . . . . . . 7075 1 530 . 1 1 47 47 CYS H H 1 8.116 0.200 . 1 . . . . . . . . 7075 1 531 . 1 1 47 47 CYS CA C 13 64.567 0.400 . 1 . . . . . . . . 7075 1 532 . 1 1 47 47 CYS HA H 1 3.770 0.200 . 1 . . . . . . . . 7075 1 533 . 1 1 47 47 CYS CB C 13 27.257 0.400 . 1 . . . . . . . . 7075 1 534 . 1 1 47 47 CYS HB2 H 1 2.965 0.200 . 2 . . . . . . . . 7075 1 535 . 1 1 47 47 CYS HB3 H 1 2.363 0.200 . 2 . . . . . . . . 7075 1 536 . 1 1 47 47 CYS C C 13 176.559 0.400 . 1 . . . . . . . . 7075 1 537 . 1 1 48 48 LEU N N 15 119.149 0.400 . 1 . . . . . . . . 7075 1 538 . 1 1 48 48 LEU H H 1 8.535 0.200 . 1 . . . . . . . . 7075 1 539 . 1 1 48 48 LEU CA C 13 58.129 0.400 . 1 . . . . . . . . 7075 1 540 . 1 1 48 48 LEU HA H 1 3.992 0.200 . 1 . . . . . . . . 7075 1 541 . 1 1 48 48 LEU CB C 13 40.741 0.400 . 1 . . . . . . . . 7075 1 542 . 1 1 48 48 LEU HB2 H 1 1.470 0.200 . 2 . . . . . . . . 7075 1 543 . 1 1 48 48 LEU HB3 H 1 1.742 0.200 . 2 . . . . . . . . 7075 1 544 . 1 1 48 48 LEU HD11 H 1 0.771 0.400 . 2 . . . . . . . . 7075 1 545 . 1 1 48 48 LEU HD12 H 1 0.771 0.400 . 2 . . . . . . . . 7075 1 546 . 1 1 48 48 LEU HD13 H 1 0.771 0.400 . 2 . . . . . . . . 7075 1 547 . 1 1 48 48 LEU HD21 H 1 0.763 0.400 . 2 . . . . . . . . 7075 1 548 . 1 1 48 48 LEU HD22 H 1 0.763 0.400 . 2 . . . . . . . . 7075 1 549 . 1 1 48 48 LEU HD23 H 1 0.763 0.400 . 2 . . . . . . . . 7075 1 550 . 1 1 48 48 LEU CD1 C 13 25.803 0.400 . 1 . . . . . . . . 7075 1 551 . 1 1 48 48 LEU CD2 C 13 22.563 0.400 . 1 . . . . . . . . 7075 1 552 . 1 1 48 48 LEU C C 13 179.225 0.400 . 1 . . . . . . . . 7075 1 553 . 1 1 49 49 ALA N N 15 121.636 0.400 . 1 . . . . . . . . 7075 1 554 . 1 1 49 49 ALA H H 1 7.730 0.200 . 1 . . . . . . . . 7075 1 555 . 1 1 49 49 ALA CA C 13 55.239 0.400 . 1 . . . . . . . . 7075 1 556 . 1 1 49 49 ALA HA H 1 4.176 0.200 . 1 . . . . . . . . 7075 1 557 . 1 1 49 49 ALA HB1 H 1 1.546 0.400 . 1 . . . . . . . . 7075 1 558 . 1 1 49 49 ALA HB2 H 1 1.546 0.400 . 1 . . . . . . . . 7075 1 559 . 1 1 49 49 ALA HB3 H 1 1.546 0.400 . 1 . . . . . . . . 7075 1 560 . 1 1 49 49 ALA CB C 13 18.081 0.400 . 1 . . . . . . . . 7075 1 561 . 1 1 49 49 ALA C C 13 179.949 0.400 . 1 . . . . . . . . 7075 1 562 . 1 1 50 50 TYR N N 15 119.576 0.400 . 1 . . . . . . . . 7075 1 563 . 1 1 50 50 TYR H H 1 7.552 0.200 . 1 . . . . . . . . 7075 1 564 . 1 1 50 50 TYR CA C 13 61.247 0.400 . 1 . . . . . . . . 7075 1 565 . 1 1 50 50 TYR HA H 1 4.191 0.200 . 1 . . . . . . . . 7075 1 566 . 1 1 50 50 TYR CB C 13 38.434 0.400 . 1 . . . . . . . . 7075 1 567 . 1 1 50 50 TYR HB2 H 1 3.064 0.200 . 2 . . . . . . . . 7075 1 568 . 1 1 50 50 TYR HB3 H 1 3.264 0.200 . 2 . . . . . . . . 7075 1 569 . 1 1 50 50 TYR CD1 C 13 133.406 0.400 . 1 . . . . . . . . 7075 1 570 . 1 1 50 50 TYR HD1 H 1 6.989 0.200 . 1 . . . . . . . . 7075 1 571 . 1 1 50 50 TYR CE1 C 13 118.100 0.400 . 1 . . . . . . . . 7075 1 572 . 1 1 50 50 TYR HE1 H 1 6.643 0.200 . 1 . . . . . . . . 7075 1 573 . 1 1 50 50 TYR C C 13 176.948 0.400 . 1 . . . . . . . . 7075 1 574 . 1 1 51 51 ILE N N 15 118.911 0.400 . 1 . . . . . . . . 7075 1 575 . 1 1 51 51 ILE H H 1 7.874 0.200 . 1 . . . . . . . . 7075 1 576 . 1 1 51 51 ILE CA C 13 65.986 0.400 . 1 . . . . . . . . 7075 1 577 . 1 1 51 51 ILE HA H 1 3.155 0.200 . 1 . . . . . . . . 7075 1 578 . 1 1 51 51 ILE CB C 13 37.953 0.400 . 1 . . . . . . . . 7075 1 579 . 1 1 51 51 ILE HB H 1 1.926 0.200 . 1 . . . . . . . . 7075 1 580 . 1 1 51 51 ILE HG21 H 1 0.960 0.400 . 1 . . . . . . . . 7075 1 581 . 1 1 51 51 ILE HG22 H 1 0.960 0.400 . 1 . . . . . . . . 7075 1 582 . 1 1 51 51 ILE HG23 H 1 0.960 0.400 . 1 . . . . . . . . 7075 1 583 . 1 1 51 51 ILE CG2 C 13 18.168 0.400 . 1 . . . . . . . . 7075 1 584 . 1 1 51 51 ILE HD11 H 1 0.913 0.400 . 1 . . . . . . . . 7075 1 585 . 1 1 51 51 ILE HD12 H 1 0.913 0.400 . 1 . . . . . . . . 7075 1 586 . 1 1 51 51 ILE HD13 H 1 0.913 0.400 . 1 . . . . . . . . 7075 1 587 . 1 1 51 51 ILE CD1 C 13 14.240 0.400 . 1 . . . . . . . . 7075 1 588 . 1 1 51 51 ILE C C 13 176.818 0.400 . 1 . . . . . . . . 7075 1 589 . 1 1 52 52 GLU N N 15 117.216 0.400 . 1 . . . . . . . . 7075 1 590 . 1 1 52 52 GLU H H 1 7.814 0.200 . 1 . . . . . . . . 7075 1 591 . 1 1 52 52 GLU CA C 13 59.092 0.400 . 1 . . . . . . . . 7075 1 592 . 1 1 52 52 GLU HA H 1 3.954 0.200 . 1 . . . . . . . . 7075 1 593 . 1 1 52 52 GLU CB C 13 29.693 0.400 . 1 . . . . . . . . 7075 1 594 . 1 1 52 52 GLU HB2 H 1 2.072 0.400 . 1 . . . . . . . . 7075 1 595 . 1 1 52 52 GLU HB3 H 1 2.072 0.400 . 1 . . . . . . . . 7075 1 596 . 1 1 52 52 GLU CG C 13 36.564 0.400 . 1 . . . . . . . . 7075 1 597 . 1 1 52 52 GLU HG2 H 1 2.249 0.200 . 2 . . . . . . . . 7075 1 598 . 1 1 52 52 GLU HG3 H 1 2.381 0.200 . 2 . . . . . . . . 7075 1 599 . 1 1 52 52 GLU C C 13 178.213 0.400 . 1 . . . . . . . . 7075 1 600 . 1 1 53 53 GLU N N 15 117.470 0.400 . 1 . . . . . . . . 7075 1 601 . 1 1 53 53 GLU H H 1 7.466 0.200 . 1 . . . . . . . . 7075 1 602 . 1 1 53 53 GLU CA C 13 58.612 0.400 . 1 . . . . . . . . 7075 1 603 . 1 1 53 53 GLU HA H 1 4.033 0.200 . 1 . . . . . . . . 7075 1 604 . 1 1 53 53 GLU CB C 13 29.969 0.400 . 1 . . . . . . . . 7075 1 605 . 1 1 53 53 GLU HB2 H 1 2.005 0.400 . 1 . . . . . . . . 7075 1 606 . 1 1 53 53 GLU HB3 H 1 2.005 0.400 . 1 . . . . . . . . 7075 1 607 . 1 1 53 53 GLU CG C 13 36.428 0.400 . 1 . . . . . . . . 7075 1 608 . 1 1 53 53 GLU HG2 H 1 2.109 0.200 . 2 . . . . . . . . 7075 1 609 . 1 1 53 53 GLU HG3 H 1 2.305 0.200 . 2 . . . . . . . . 7075 1 610 . 1 1 53 53 GLU C C 13 178.274 0.400 . 1 . . . . . . . . 7075 1 611 . 1 1 54 54 VAL N N 15 113.969 0.400 . 1 . . . . . . . . 7075 1 612 . 1 1 54 54 VAL H H 1 7.604 0.200 . 1 . . . . . . . . 7075 1 613 . 1 1 54 54 VAL CA C 13 63.401 0.400 . 1 . . . . . . . . 7075 1 614 . 1 1 54 54 VAL HA H 1 3.975 0.200 . 1 . . . . . . . . 7075 1 615 . 1 1 54 54 VAL CB C 13 32.736 0.400 . 1 . . . . . . . . 7075 1 616 . 1 1 54 54 VAL HB H 1 1.754 0.200 . 1 . . . . . . . . 7075 1 617 . 1 1 54 54 VAL HG11 H 1 0.235 0.400 . 2 . . . . . . . . 7075 1 618 . 1 1 54 54 VAL HG12 H 1 0.235 0.400 . 2 . . . . . . . . 7075 1 619 . 1 1 54 54 VAL HG13 H 1 0.235 0.400 . 2 . . . . . . . . 7075 1 620 . 1 1 54 54 VAL HG21 H 1 0.366 0.400 . 2 . . . . . . . . 7075 1 621 . 1 1 54 54 VAL HG22 H 1 0.366 0.400 . 2 . . . . . . . . 7075 1 622 . 1 1 54 54 VAL HG23 H 1 0.366 0.400 . 2 . . . . . . . . 7075 1 623 . 1 1 54 54 VAL CG1 C 13 19.721 0.400 . 1 . . . . . . . . 7075 1 624 . 1 1 54 54 VAL CG2 C 13 20.450 0.400 . 1 . . . . . . . . 7075 1 625 . 1 1 54 54 VAL C C 13 176.955 0.400 . 1 . . . . . . . . 7075 1 626 . 1 1 55 55 TRP N N 15 124.297 0.400 . 1 . . . . . . . . 7075 1 627 . 1 1 55 55 TRP H H 1 8.442 0.200 . 1 . . . . . . . . 7075 1 628 . 1 1 55 55 TRP CA C 13 55.970 0.400 . 1 . . . . . . . . 7075 1 629 . 1 1 55 55 TRP HA H 1 4.965 0.200 . 1 . . . . . . . . 7075 1 630 . 1 1 55 55 TRP CB C 13 28.960 0.400 . 1 . . . . . . . . 7075 1 631 . 1 1 55 55 TRP HB2 H 1 2.719 0.200 . 2 . . . . . . . . 7075 1 632 . 1 1 55 55 TRP HB3 H 1 3.425 0.200 . 2 . . . . . . . . 7075 1 633 . 1 1 55 55 TRP CD1 C 13 125.800 0.400 . 1 . . . . . . . . 7075 1 634 . 1 1 55 55 TRP NE1 N 15 130.010 0.400 . 1 . . . . . . . . 7075 1 635 . 1 1 55 55 TRP HD1 H 1 7.386 0.200 . 1 . . . . . . . . 7075 1 636 . 1 1 55 55 TRP CZ2 C 13 114.800 0.400 . 1 . . . . . . . . 7075 1 637 . 1 1 55 55 TRP HE1 H 1 10.230 0.200 . 1 . . . . . . . . 7075 1 638 . 1 1 55 55 TRP CH2 C 13 124.500 0.400 . 1 . . . . . . . . 7075 1 639 . 1 1 55 55 TRP HZ2 H 1 7.664 0.200 . 1 . . . . . . . . 7075 1 640 . 1 1 55 55 TRP HH2 H 1 7.331 0.200 . 1 . . . . . . . . 7075 1 641 . 1 1 55 55 TRP C C 13 175.900 0.400 . 1 . . . . . . . . 7075 1 642 . 1 1 56 56 THR N N 15 115.900 0.400 . 1 . . . . . . . . 7075 1 643 . 1 1 56 56 THR H H 1 8.004 0.200 . 1 . . . . . . . . 7075 1 644 . 1 1 56 56 THR CA C 13 63.249 0.400 . 1 . . . . . . . . 7075 1 645 . 1 1 56 56 THR HA H 1 4.109 0.200 . 1 . . . . . . . . 7075 1 646 . 1 1 56 56 THR CB C 13 69.433 0.400 . 1 . . . . . . . . 7075 1 647 . 1 1 56 56 THR HB H 1 4.191 0.200 . 1 . . . . . . . . 7075 1 648 . 1 1 56 56 THR HG21 H 1 1.153 0.400 . 1 . . . . . . . . 7075 1 649 . 1 1 56 56 THR HG22 H 1 1.153 0.400 . 1 . . . . . . . . 7075 1 650 . 1 1 56 56 THR HG23 H 1 1.153 0.400 . 1 . . . . . . . . 7075 1 651 . 1 1 56 56 THR CG2 C 13 21.727 0.400 . 1 . . . . . . . . 7075 1 652 . 1 1 56 56 THR C C 13 174.604 0.400 . 1 . . . . . . . . 7075 1 653 . 1 1 57 57 ASP N N 15 122.269 0.400 . 1 . . . . . . . . 7075 1 654 . 1 1 57 57 ASP H H 1 8.122 0.200 . 1 . . . . . . . . 7075 1 655 . 1 1 57 57 ASP CA C 13 54.000 0.400 . 1 . . . . . . . . 7075 1 656 . 1 1 57 57 ASP HA H 1 4.547 0.200 . 1 . . . . . . . . 7075 1 657 . 1 1 57 57 ASP CB C 13 40.947 0.400 . 1 . . . . . . . . 7075 1 658 . 1 1 57 57 ASP HB2 H 1 2.512 0.200 . 2 . . . . . . . . 7075 1 659 . 1 1 57 57 ASP HB3 H 1 2.803 0.200 . 2 . . . . . . . . 7075 1 660 . 1 1 57 57 ASP C C 13 175.600 0.400 . 1 . . . . . . . . 7075 1 661 . 1 1 58 58 MET N N 15 119.800 0.400 . 1 . . . . . . . . 7075 1 662 . 1 1 58 58 MET H H 1 7.918 0.200 . 1 . . . . . . . . 7075 1 663 . 1 1 58 58 MET HE1 H 1 1.828 0.400 . 1 . . . . . . . . 7075 1 664 . 1 1 58 58 MET HE2 H 1 1.828 0.400 . 1 . . . . . . . . 7075 1 665 . 1 1 58 58 MET HE3 H 1 1.828 0.400 . 1 . . . . . . . . 7075 1 666 . 1 1 58 58 MET CE C 13 16.908 0.400 . 1 . . . . . . . . 7075 1 667 . 1 1 60 60 PRO CD C 13 50.744 0.400 . 1 . . . . . . . . 7075 1 668 . 1 1 60 60 PRO CA C 13 63.258 0.400 . 1 . . . . . . . . 7075 1 669 . 1 1 60 60 PRO HA H 1 4.451 0.200 . 1 . . . . . . . . 7075 1 670 . 1 1 60 60 PRO CB C 13 32.108 0.400 . 1 . . . . . . . . 7075 1 671 . 1 1 60 60 PRO HB2 H 1 1.921 0.200 . 2 . . . . . . . . 7075 1 672 . 1 1 60 60 PRO HB3 H 1 2.270 0.200 . 2 . . . . . . . . 7075 1 673 . 1 1 60 60 PRO CG C 13 27.627 0.400 . 1 . . . . . . . . 7075 1 674 . 1 1 60 60 PRO HG2 H 1 2.001 0.400 . 1 . . . . . . . . 7075 1 675 . 1 1 60 60 PRO HG3 H 1 2.001 0.400 . 1 . . . . . . . . 7075 1 676 . 1 1 60 60 PRO HD2 H 1 3.812 0.200 . 2 . . . . . . . . 7075 1 677 . 1 1 60 60 PRO HD3 H 1 3.584 0.200 . 2 . . . . . . . . 7075 1 678 . 1 1 60 60 PRO C C 13 176.928 0.400 . 1 . . . . . . . . 7075 1 679 . 1 1 61 61 LEU N N 15 123.671 0.400 . 1 . . . . . . . . 7075 1 680 . 1 1 61 61 LEU H H 1 8.451 0.200 . 1 . . . . . . . . 7075 1 681 . 1 1 61 61 LEU CA C 13 56.880 0.400 . 1 . . . . . . . . 7075 1 682 . 1 1 61 61 LEU HA H 1 4.103 0.200 . 1 . . . . . . . . 7075 1 683 . 1 1 61 61 LEU CB C 13 42.443 0.400 . 1 . . . . . . . . 7075 1 684 . 1 1 61 61 LEU HB2 H 1 1.546 0.200 . 2 . . . . . . . . 7075 1 685 . 1 1 61 61 LEU HB3 H 1 1.662 0.200 . 2 . . . . . . . . 7075 1 686 . 1 1 61 61 LEU CG C 13 27.411 0.400 . 1 . . . . . . . . 7075 1 687 . 1 1 61 61 LEU HG H 1 1.621 0.200 . 1 . . . . . . . . 7075 1 688 . 1 1 61 61 LEU HD11 H 1 0.880 0.400 . 2 . . . . . . . . 7075 1 689 . 1 1 61 61 LEU HD12 H 1 0.880 0.400 . 2 . . . . . . . . 7075 1 690 . 1 1 61 61 LEU HD13 H 1 0.880 0.400 . 2 . . . . . . . . 7075 1 691 . 1 1 61 61 LEU HD21 H 1 0.919 0.400 . 2 . . . . . . . . 7075 1 692 . 1 1 61 61 LEU HD22 H 1 0.919 0.400 . 2 . . . . . . . . 7075 1 693 . 1 1 61 61 LEU HD23 H 1 0.919 0.400 . 2 . . . . . . . . 7075 1 694 . 1 1 61 61 LEU CD1 C 13 24.361 0.400 . 1 . . . . . . . . 7075 1 695 . 1 1 61 61 LEU CD2 C 13 24.683 0.400 . 1 . . . . . . . . 7075 1 696 . 1 1 62 62 SER CA C 13 58.664 0.400 . 1 . . . . . . . . 7075 1 697 . 1 1 62 62 SER HA H 1 4.451 0.200 . 1 . . . . . . . . 7075 1 698 . 1 1 62 62 SER CB C 13 63.833 0.400 . 1 . . . . . . . . 7075 1 699 . 1 1 62 62 SER HB2 H 1 3.909 0.400 . 1 . . . . . . . . 7075 1 700 . 1 1 62 62 SER HB3 H 1 3.909 0.400 . 1 . . . . . . . . 7075 1 701 . 1 1 62 62 SER C C 13 175.200 0.400 . 1 . . . . . . . . 7075 1 702 . 1 1 63 63 LEU N N 15 110.974 0.400 . 1 . . . . . . . . 7075 1 703 . 1 1 63 63 LEU H H 1 8.519 0.200 . 1 . . . . . . . . 7075 1 704 . 1 1 63 63 LEU CA C 13 55.645 0.400 . 1 . . . . . . . . 7075 1 705 . 1 1 63 63 LEU HA H 1 4.422 0.200 . 1 . . . . . . . . 7075 1 706 . 1 1 63 63 LEU CB C 13 42.262 0.400 . 1 . . . . . . . . 7075 1 707 . 1 1 63 63 LEU HB2 H 1 1.628 0.200 . 2 . . . . . . . . 7075 1 708 . 1 1 63 63 LEU HB3 H 1 1.682 0.200 . 2 . . . . . . . . 7075 1 709 . 1 1 63 63 LEU CG C 13 27.126 0.400 . 1 . . . . . . . . 7075 1 710 . 1 1 63 63 LEU HG H 1 1.550 0.200 . 1 . . . . . . . . 7075 1 711 . 1 1 63 63 LEU HD11 H 1 0.754 0.400 . 2 . . . . . . . . 7075 1 712 . 1 1 63 63 LEU HD12 H 1 0.754 0.400 . 2 . . . . . . . . 7075 1 713 . 1 1 63 63 LEU HD13 H 1 0.754 0.400 . 2 . . . . . . . . 7075 1 714 . 1 1 63 63 LEU HD21 H 1 0.771 0.400 . 2 . . . . . . . . 7075 1 715 . 1 1 63 63 LEU HD22 H 1 0.771 0.400 . 2 . . . . . . . . 7075 1 716 . 1 1 63 63 LEU HD23 H 1 0.771 0.400 . 2 . . . . . . . . 7075 1 717 . 1 1 63 63 LEU CD1 C 13 23.581 0.400 . 1 . . . . . . . . 7075 1 718 . 1 1 63 63 LEU CD2 C 13 24.819 0.400 . 1 . . . . . . . . 7075 1 719 . 1 1 63 63 LEU C C 13 177.762 0.400 . 1 . . . . . . . . 7075 1 720 . 1 1 64 64 ARG N N 15 120.036 0.400 . 1 . . . . . . . . 7075 1 721 . 1 1 64 64 ARG H H 1 8.030 0.200 . 1 . . . . . . . . 7075 1 722 . 1 1 64 64 ARG CA C 13 57.571 0.400 . 1 . . . . . . . . 7075 1 723 . 1 1 64 64 ARG HA H 1 4.122 0.200 . 1 . . . . . . . . 7075 1 724 . 1 1 64 64 ARG CB C 13 30.552 0.400 . 1 . . . . . . . . 7075 1 725 . 1 1 64 64 ARG HB2 H 1 1.805 0.400 . 1 . . . . . . . . 7075 1 726 . 1 1 64 64 ARG HB3 H 1 1.805 0.400 . 1 . . . . . . . . 7075 1 727 . 1 1 64 64 ARG CG C 13 27.165 0.400 . 1 . . . . . . . . 7075 1 728 . 1 1 64 64 ARG HG2 H 1 1.655 0.400 . 1 . . . . . . . . 7075 1 729 . 1 1 64 64 ARG HG3 H 1 1.655 0.400 . 1 . . . . . . . . 7075 1 730 . 1 1 64 64 ARG CD C 13 43.868 0.400 . 1 . . . . . . . . 7075 1 731 . 1 1 64 64 ARG HD2 H 1 3.167 0.400 . 1 . . . . . . . . 7075 1 732 . 1 1 64 64 ARG HD3 H 1 3.167 0.400 . 1 . . . . . . . . 7075 1 733 . 1 1 64 64 ARG C C 13 176.969 0.400 . 1 . . . . . . . . 7075 1 734 . 1 1 65 65 GLN N N 15 119.101 0.400 . 1 . . . . . . . . 7075 1 735 . 1 1 65 65 GLN H H 1 8.321 0.200 . 1 . . . . . . . . 7075 1 736 . 1 1 65 65 GLN CA C 13 57.042 0.400 . 1 . . . . . . . . 7075 1 737 . 1 1 65 65 GLN HA H 1 4.227 0.200 . 1 . . . . . . . . 7075 1 738 . 1 1 65 65 GLN CB C 13 29.183 0.400 . 1 . . . . . . . . 7075 1 739 . 1 1 65 65 GLN HB2 H 1 1.986 0.400 . 1 . . . . . . . . 7075 1 740 . 1 1 65 65 GLN HB3 H 1 1.986 0.400 . 1 . . . . . . . . 7075 1 741 . 1 1 65 65 GLN CG C 13 33.845 0.400 . 1 . . . . . . . . 7075 1 742 . 1 1 65 65 GLN HG2 H 1 2.284 0.400 . 1 . . . . . . . . 7075 1 743 . 1 1 65 65 GLN HG3 H 1 2.284 0.400 . 1 . . . . . . . . 7075 1 744 . 1 1 65 65 GLN NE2 N 15 112.300 0.400 . 1 . . . . . . . . 7075 1 745 . 1 1 65 65 GLN HE21 H 1 6.884 0.200 . 2 . . . . . . . . 7075 1 746 . 1 1 65 65 GLN HE22 H 1 7.509 0.200 . 2 . . . . . . . . 7075 1 747 . 1 1 65 65 GLN C C 13 176.504 0.400 . 1 . . . . . . . . 7075 1 748 . 1 1 66 66 HIS N N 15 119.925 0.400 . 1 . . . . . . . . 7075 1 749 . 1 1 66 66 HIS H H 1 8.149 0.200 . 1 . . . . . . . . 7075 1 750 . 1 1 66 66 HIS CA C 13 57.501 0.400 . 1 . . . . . . . . 7075 1 751 . 1 1 66 66 HIS HA H 1 4.528 0.200 . 1 . . . . . . . . 7075 1 752 . 1 1 66 66 HIS CB C 13 31.312 0.400 . 1 . . . . . . . . 7075 1 753 . 1 1 66 66 HIS HB2 H 1 3.120 0.400 . 1 . . . . . . . . 7075 1 754 . 1 1 66 66 HIS HB3 H 1 3.120 0.400 . 1 . . . . . . . . 7075 1 755 . 1 1 66 66 HIS CD2 C 13 119.700 0.400 . 1 . . . . . . . . 7075 1 756 . 1 1 66 66 HIS HD2 H 1 6.946 0.200 . 1 . . . . . . . . 7075 1 757 . 1 1 66 66 HIS C C 13 176.217 0.400 . 1 . . . . . . . . 7075 1 758 . 1 1 67 67 MET N N 15 120.650 0.400 . 1 . . . . . . . . 7075 1 759 . 1 1 67 67 MET H H 1 8.212 0.200 . 1 . . . . . . . . 7075 1 760 . 1 1 67 67 MET CA C 13 56.101 0.400 . 1 . . . . . . . . 7075 1 761 . 1 1 67 67 MET HA H 1 4.394 0.200 . 1 . . . . . . . . 7075 1 762 . 1 1 67 67 MET CB C 13 32.982 0.400 . 1 . . . . . . . . 7075 1 763 . 1 1 67 67 MET HB2 H 1 1.984 0.200 . 2 . . . . . . . . 7075 1 764 . 1 1 67 67 MET HB3 H 1 2.078 0.200 . 2 . . . . . . . . 7075 1 765 . 1 1 67 67 MET CG C 13 32.102 0.400 . 1 . . . . . . . . 7075 1 766 . 1 1 67 67 MET HG2 H 1 2.589 0.200 . 2 . . . . . . . . 7075 1 767 . 1 1 67 67 MET HG3 H 1 2.471 0.200 . 2 . . . . . . . . 7075 1 768 . 1 1 67 67 MET HE1 H 1 2.025 0.400 . 1 . . . . . . . . 7075 1 769 . 1 1 67 67 MET HE2 H 1 2.025 0.400 . 1 . . . . . . . . 7075 1 770 . 1 1 67 67 MET HE3 H 1 2.025 0.400 . 1 . . . . . . . . 7075 1 771 . 1 1 67 67 MET CE C 13 17.016 0.400 . 1 . . . . . . . . 7075 1 772 . 1 1 67 67 MET C C 13 176.285 0.400 . 1 . . . . . . . . 7075 1 773 . 1 1 68 68 ASP N N 15 121.351 0.400 . 1 . . . . . . . . 7075 1 774 . 1 1 68 68 ASP H H 1 8.391 0.200 . 1 . . . . . . . . 7075 1 775 . 1 1 68 68 ASP CA C 13 54.860 0.400 . 1 . . . . . . . . 7075 1 776 . 1 1 68 68 ASP HA H 1 4.572 0.200 . 1 . . . . . . . . 7075 1 777 . 1 1 68 68 ASP CB C 13 41.147 0.400 . 1 . . . . . . . . 7075 1 778 . 1 1 68 68 ASP HB2 H 1 2.706 0.200 . 2 . . . . . . . . 7075 1 779 . 1 1 68 68 ASP HB3 H 1 2.653 0.200 . 2 . . . . . . . . 7075 1 780 . 1 1 68 68 ASP C C 13 176.695 0.400 . 1 . . . . . . . . 7075 1 781 . 1 1 69 69 LYS N N 15 121.620 0.400 . 1 . . . . . . . . 7075 1 782 . 1 1 69 69 LYS H H 1 8.153 0.200 . 1 . . . . . . . . 7075 1 783 . 1 1 69 69 LYS CA C 13 56.832 0.400 . 1 . . . . . . . . 7075 1 784 . 1 1 69 69 LYS HA H 1 4.239 0.200 . 1 . . . . . . . . 7075 1 785 . 1 1 69 69 LYS CB C 13 32.833 0.400 . 1 . . . . . . . . 7075 1 786 . 1 1 69 69 LYS HB2 H 1 1.852 0.200 . 2 . . . . . . . . 7075 1 787 . 1 1 69 69 LYS HB3 H 1 1.770 0.200 . 2 . . . . . . . . 7075 1 788 . 1 1 69 69 LYS CG C 13 24.698 0.400 . 1 . . . . . . . . 7075 1 789 . 1 1 69 69 LYS HG2 H 1 1.447 0.400 . 1 . . . . . . . . 7075 1 790 . 1 1 69 69 LYS HG3 H 1 1.447 0.400 . 1 . . . . . . . . 7075 1 791 . 1 1 69 69 LYS CD C 13 29.213 0.400 . 1 . . . . . . . . 7075 1 792 . 1 1 69 69 LYS HD2 H 1 1.670 0.400 . 1 . . . . . . . . 7075 1 793 . 1 1 69 69 LYS HD3 H 1 1.670 0.400 . 1 . . . . . . . . 7075 1 794 . 1 1 69 69 LYS C C 13 176.887 0.400 . 1 . . . . . . . . 7075 1 795 . 1 1 70 70 ALA N N 15 124.511 0.400 . 1 . . . . . . . . 7075 1 796 . 1 1 70 70 ALA H H 1 8.274 0.200 . 1 . . . . . . . . 7075 1 797 . 1 1 70 70 ALA CA C 13 52.806 0.400 . 1 . . . . . . . . 7075 1 798 . 1 1 70 70 ALA HA H 1 4.255 0.200 . 1 . . . . . . . . 7075 1 799 . 1 1 70 70 ALA HB1 H 1 1.378 0.400 . 1 . . . . . . . . 7075 1 800 . 1 1 70 70 ALA HB2 H 1 1.378 0.400 . 1 . . . . . . . . 7075 1 801 . 1 1 70 70 ALA HB3 H 1 1.378 0.400 . 1 . . . . . . . . 7075 1 802 . 1 1 70 70 ALA CB C 13 19.247 0.400 . 1 . . . . . . . . 7075 1 803 . 1 1 70 70 ALA C C 13 177.844 0.400 . 1 . . . . . . . . 7075 1 804 . 1 1 71 71 ALA N N 15 122.934 0.400 . 1 . . . . . . . . 7075 1 805 . 1 1 71 71 ALA H H 1 8.185 0.200 . 1 . . . . . . . . 7075 1 806 . 1 1 71 71 ALA CA C 13 52.806 0.400 . 1 . . . . . . . . 7075 1 807 . 1 1 71 71 ALA HA H 1 4.315 0.200 . 1 . . . . . . . . 7075 1 808 . 1 1 71 71 ALA HB1 H 1 1.419 0.400 . 1 . . . . . . . . 7075 1 809 . 1 1 71 71 ALA HB2 H 1 1.419 0.400 . 1 . . . . . . . . 7075 1 810 . 1 1 71 71 ALA HB3 H 1 1.419 0.400 . 1 . . . . . . . . 7075 1 811 . 1 1 71 71 ALA CB C 13 19.298 0.400 . 1 . . . . . . . . 7075 1 812 . 1 1 71 71 ALA C C 13 178.363 0.400 . 1 . . . . . . . . 7075 1 813 . 1 1 72 72 GLY N N 15 127.924 0.400 . 1 . . . . . . . . 7075 1 814 . 1 1 72 72 GLY H H 1 8.312 0.200 . 1 . . . . . . . . 7075 1 stop_ save_