data_17650 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17650 _Entry.Title ; 1H, 13C, and 15N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-13 _Entry.Accession_date 2011-05-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Andrew Olson . L. . 17650 2 Benjamin Bobay . G. . 17650 3 John Cavanagh . . . 17650 4 Christian Melander . . . 17650 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17650 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 17650 '15N chemical shifts' 91 17650 '1H chemical shifts' 681 17650 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 2 . . 2012-04-06 2011-05-13 update BMRB 'update entry citation' 17650 1 . . 2011-08-19 2011-05-13 original author 'original release' 17650 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17650 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21845362 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _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 95 _Citation.Page_last 98 _Citation.Year 2012 _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 Andrew Olson . L. . 17650 1 2 Benjamin Bobay . G. . 17650 1 3 Christian Melander . . . 17650 1 4 John Cavanagh . . . 17650 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17650 _Assembly.ID 1 _Assembly.Name AbrB _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'full AbrB' 1 $ba A . yes native yes no . . . 17650 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ba _Entity.Sf_category entity _Entity.Sf_framecode ba _Entity.Entry_ID 17650 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ba _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 ; MKSTGIVRKVDELGRVVIPI ELRRTLGIAEKDALEIYVDD EKIILKKYKPNMTCQVTGEV SDGNLFLAEGKIILSKEGAE QILNELQDYIETAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4281 . AbrB . . . . . 56.38 53 100.00 100.00 7.16e-27 . . . . 17650 1 2 no PDB 1YFB . "The Solution Structure Of The N-Domain Of The Transcription Factor Abrb" . . . . . 54.26 59 100.00 100.00 6.46e-26 . . . . 17650 1 3 no PDB 1YSF . "The Solution Structure Of The N-Domain Of The Transcription Factor Abrb" . . . . . 54.26 59 100.00 100.00 6.46e-26 . . . . 17650 1 4 no PDB 1Z0R . "Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transcription-State Regulator Abrb" . . . . . 56.38 53 100.00 100.00 7.16e-27 . . . . 17650 1 5 no PDB 2K1N . "Dna Bound Structure Of The N-Terminal Domain Of Abrb" . . . . . 58.51 55 100.00 100.00 3.32e-29 . . . . 17650 1 6 no PDB 2RO4 . "Rdc-Refined Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transition-State Regulator Abr" . . . . . 56.38 53 100.00 100.00 7.16e-27 . . . . 17650 1 7 no DBJ BAL15827 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus NC7401]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 8 no DBJ BAR73621 . "transition state regulatory protein AbrB [Bacillus anthracis]" . . . . . 100.00 126 100.00 100.00 3.03e-58 . . . . 17650 1 9 no DBJ BAR86976 . "transition state regulatory protein [Bacillus thuringiensis serovar tolworthi]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 10 no DBJ GAE43199 . "transition state regulatory protein AbrB [Bacillus weihenstephanensis NBRC 101238 = DSM 11821]" . . . . . 100.00 94 97.87 98.94 9.35e-57 . . . . 17650 1 11 no DBJ GAE95547 . "transition state regulatory protein AbrB [Bacillus anthracis CZC5]" . . . . . 100.00 94 100.00 100.00 3.29e-58 . . . . 17650 1 12 no EMBL CCW03638 . "Transition state regulatory protein AbrB [Bacillus sp. GeD10]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 13 no EMBL CDN39126 . "unnamed protein product [Bacillus thuringiensis DB27]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 14 no EMBL CDO67713 . "AbrB protein, partial [Bacillus thuringiensis serovar kurstaki]" . . . . . 82.98 78 98.72 98.72 1.44e-44 . . . . 17650 1 15 no EMBL CEY26858 . "Transition state regulatory protein AbrB [Streptococcus pneumoniae]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 16 no EMBL CGG04973 . "Transition state regulatory protein AbrB [Streptococcus pneumoniae]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 17 no GB AAP07140 . "Transcription state regulatory protein abrB [Bacillus cereus ATCC 14579]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 18 no GB AAP24090 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. Ames]" . . . . . 100.00 94 100.00 100.00 3.29e-58 . . . . 17650 1 19 no GB AAS38971 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus ATCC 10987]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 20 no GB AAT29114 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 100.00 94 100.00 100.00 3.29e-58 . . . . 17650 1 21 no GB AAT52374 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. Sterne]" . . . . . 100.00 94 100.00 100.00 3.29e-58 . . . . 17650 1 22 no REF NP_829939 . "transcription state transcriptional regulator AbrB [Bacillus cereus ATCC 14579]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 1 23 no REF NP_842604 . "transition state transcriptional regulator AbrB [Bacillus anthracis str. Ames]" . . . . . 100.00 94 100.00 100.00 3.29e-58 . . . . 17650 1 24 no REF WP_000843034 . "transition state regulator Abh [Bacillus anthracis]" . . . . . 100.00 94 98.94 100.00 6.62e-58 . . . . 17650 1 25 no REF WP_000843035 . "transition state regulator Abh [Bacillus anthracis]" . . . . . 100.00 94 100.00 100.00 3.29e-58 . . . . 17650 1 26 no REF WP_000843036 . "MULTISPECIES: transition state regulator Abh [Bacilli]" . . . . . 100.00 94 98.94 98.94 6.89e-57 . . . . 17650 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 . 17650 1 2 . LYS . 17650 1 3 . SER . 17650 1 4 . THR . 17650 1 5 . GLY . 17650 1 6 . ILE . 17650 1 7 . VAL . 17650 1 8 . ARG . 17650 1 9 . LYS . 17650 1 10 . VAL . 17650 1 11 . ASP . 17650 1 12 . GLU . 17650 1 13 . LEU . 17650 1 14 . GLY . 17650 1 15 . ARG . 17650 1 16 . VAL . 17650 1 17 . VAL . 17650 1 18 . ILE . 17650 1 19 . PRO . 17650 1 20 . ILE . 17650 1 21 . GLU . 17650 1 22 . LEU . 17650 1 23 . ARG . 17650 1 24 . ARG . 17650 1 25 . THR . 17650 1 26 . LEU . 17650 1 27 . GLY . 17650 1 28 . ILE . 17650 1 29 . ALA . 17650 1 30 . GLU . 17650 1 31 . LYS . 17650 1 32 . ASP . 17650 1 33 . ALA . 17650 1 34 . LEU . 17650 1 35 . GLU . 17650 1 36 . ILE . 17650 1 37 . TYR . 17650 1 38 . VAL . 17650 1 39 . ASP . 17650 1 40 . ASP . 17650 1 41 . GLU . 17650 1 42 . LYS . 17650 1 43 . ILE . 17650 1 44 . ILE . 17650 1 45 . LEU . 17650 1 46 . LYS . 17650 1 47 . LYS . 17650 1 48 . TYR . 17650 1 49 . LYS . 17650 1 50 . PRO . 17650 1 51 . ASN . 17650 1 52 . MET . 17650 1 53 . THR . 17650 1 54 . CYS . 17650 1 55 . GLN . 17650 1 56 . VAL . 17650 1 57 . THR . 17650 1 58 . GLY . 17650 1 59 . GLU . 17650 1 60 . VAL . 17650 1 61 . SER . 17650 1 62 . ASP . 17650 1 63 . GLY . 17650 1 64 . ASN . 17650 1 65 . LEU . 17650 1 66 . PHE . 17650 1 67 . LEU . 17650 1 68 . ALA . 17650 1 69 . GLU . 17650 1 70 . GLY . 17650 1 71 . LYS . 17650 1 72 . ILE . 17650 1 73 . ILE . 17650 1 74 . LEU . 17650 1 75 . SER . 17650 1 76 . LYS . 17650 1 77 . GLU . 17650 1 78 . GLY . 17650 1 79 . ALA . 17650 1 80 . GLU . 17650 1 81 . GLN . 17650 1 82 . ILE . 17650 1 83 . LEU . 17650 1 84 . ASN . 17650 1 85 . GLU . 17650 1 86 . LEU . 17650 1 87 . GLN . 17650 1 88 . ASP . 17650 1 89 . TYR . 17650 1 90 . ILE . 17650 1 91 . GLU . 17650 1 92 . THR . 17650 1 93 . ALA . 17650 1 94 . LYS . 17650 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 17650 1 . LYS 2 2 17650 1 . SER 3 3 17650 1 . THR 4 4 17650 1 . GLY 5 5 17650 1 . ILE 6 6 17650 1 . VAL 7 7 17650 1 . ARG 8 8 17650 1 . LYS 9 9 17650 1 . VAL 10 10 17650 1 . ASP 11 11 17650 1 . GLU 12 12 17650 1 . LEU 13 13 17650 1 . GLY 14 14 17650 1 . ARG 15 15 17650 1 . VAL 16 16 17650 1 . VAL 17 17 17650 1 . ILE 18 18 17650 1 . PRO 19 19 17650 1 . ILE 20 20 17650 1 . GLU 21 21 17650 1 . LEU 22 22 17650 1 . ARG 23 23 17650 1 . ARG 24 24 17650 1 . THR 25 25 17650 1 . LEU 26 26 17650 1 . GLY 27 27 17650 1 . ILE 28 28 17650 1 . ALA 29 29 17650 1 . GLU 30 30 17650 1 . LYS 31 31 17650 1 . ASP 32 32 17650 1 . ALA 33 33 17650 1 . LEU 34 34 17650 1 . GLU 35 35 17650 1 . ILE 36 36 17650 1 . TYR 37 37 17650 1 . VAL 38 38 17650 1 . ASP 39 39 17650 1 . ASP 40 40 17650 1 . GLU 41 41 17650 1 . LYS 42 42 17650 1 . ILE 43 43 17650 1 . ILE 44 44 17650 1 . LEU 45 45 17650 1 . LYS 46 46 17650 1 . LYS 47 47 17650 1 . TYR 48 48 17650 1 . LYS 49 49 17650 1 . PRO 50 50 17650 1 . ASN 51 51 17650 1 . MET 52 52 17650 1 . THR 53 53 17650 1 . CYS 54 54 17650 1 . GLN 55 55 17650 1 . VAL 56 56 17650 1 . THR 57 57 17650 1 . GLY 58 58 17650 1 . GLU 59 59 17650 1 . VAL 60 60 17650 1 . SER 61 61 17650 1 . ASP 62 62 17650 1 . GLY 63 63 17650 1 . ASN 64 64 17650 1 . LEU 65 65 17650 1 . PHE 66 66 17650 1 . LEU 67 67 17650 1 . ALA 68 68 17650 1 . GLU 69 69 17650 1 . GLY 70 70 17650 1 . LYS 71 71 17650 1 . ILE 72 72 17650 1 . ILE 73 73 17650 1 . LEU 74 74 17650 1 . SER 75 75 17650 1 . LYS 76 76 17650 1 . GLU 77 77 17650 1 . GLY 78 78 17650 1 . ALA 79 79 17650 1 . GLU 80 80 17650 1 . GLN 81 81 17650 1 . ILE 82 82 17650 1 . LEU 83 83 17650 1 . ASN 84 84 17650 1 . GLU 85 85 17650 1 . LEU 86 86 17650 1 . GLN 87 87 17650 1 . ASP 88 88 17650 1 . TYR 89 89 17650 1 . ILE 90 90 17650 1 . GLU 91 91 17650 1 . THR 92 92 17650 1 . ALA 93 93 17650 1 . LYS 94 94 17650 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 17650 _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 $ba . 1392 organism . 'Bacillus anthracis' anthrax . . Bacteria . Bacillus anthracis . . . . . . . . . . . . . . . . . . . . . 17650 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 17650 _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 $ba . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pet 28a' . . . . . . 17650 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17650 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 ba '[U-99% 13C; U-99% 15N]' . . 1 $ba . . 750 . . uM . . . . 17650 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17650 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17650 1 4 'potassium chloride' 'natural abundance' . . . . . . 15 . . mM . . . . 17650 1 5 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 17650 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17650 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17650 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17650 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17650 _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' 0.015 . M 17650 1 pH 6.0 . pH 17650 1 pressure 1 . atm 17650 1 temperature 310 . K 17650 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17650 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17650 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17650 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17650 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17650 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17650 2 'data analysis' 17650 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17650 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17650 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17650 3 'data analysis' 17650 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17650 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17650 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17650 _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 spectrometer_1 Bruker Avance . 700 . . . 17650 1 2 spectrometer_2 Varian INOVA . 600 . . . 17650 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 17650 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 9 '3D HBHACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 10 '3D 15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17650 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17650 _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 0.00 . indirect 0.251449530 . . . . . . . . . 17650 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17650 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17650 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17650 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 17650 1 2 '3D HNCO' . . . 17650 1 3 '3D HNCACO' . . . 17650 1 4 '3D C(CO)NH' . . . 17650 1 5 '3D CBCA(CO)NH' . . . 17650 1 6 '3D HNCACB' . . . 17650 1 7 '3D HCCH-TOCSY' . . . 17650 1 8 '3D H(CCO)NH' . . . 17650 1 9 '3D HBHACONH' . . . 17650 1 10 '3D 15N TOCSY' . . . 17650 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 HA H 1 4.346 0.003 . 1 . . . . 1 MET HA . 17650 1 2 . 1 1 1 1 MET HB2 H 1 1.782 0.025 . 2 . . . . 1 MET HB . 17650 1 3 . 1 1 1 1 MET HB3 H 1 1.782 0.025 . 2 . . . . 1 MET HB . 17650 1 4 . 1 1 1 1 MET HG2 H 1 2.211 0.000 . 2 . . . . 1 MET HG . 17650 1 5 . 1 1 1 1 MET HG3 H 1 2.211 0.000 . 2 . . . . 1 MET HG . 17650 1 6 . 1 1 1 1 MET C C 13 176.587 0.015 . 1 . . . . 1 MET C . 17650 1 7 . 1 1 1 1 MET CA C 13 57.351 0.012 . 1 . . . . 1 MET CA . 17650 1 8 . 1 1 1 1 MET CB C 13 34.282 0.010 . 1 . . . . 1 MET CB . 17650 1 9 . 1 1 1 1 MET CG C 13 33.675 0.075 . 1 . . . . 1 MET CG . 17650 1 10 . 1 1 2 2 LYS H H 1 8.546 0.018 . 1 . . . . 2 LYS H . 17650 1 11 . 1 1 2 2 LYS HA H 1 4.423 0.001 . 1 . . . . 2 LYS HA . 17650 1 12 . 1 1 2 2 LYS HB2 H 1 1.606 0.013 . 2 . . . . 2 LYS HB2 . 17650 1 13 . 1 1 2 2 LYS HB3 H 1 1.660 0.010 . 2 . . . . 2 LYS HB3 . 17650 1 14 . 1 1 2 2 LYS HG2 H 1 1.247 0.000 . 2 . . . . 2 LYS HG . 17650 1 15 . 1 1 2 2 LYS HG3 H 1 1.247 0.000 . 2 . . . . 2 LYS HG . 17650 1 16 . 1 1 2 2 LYS HD2 H 1 1.474 0.008 . 2 . . . . 2 LYS HD . 17650 1 17 . 1 1 2 2 LYS HD3 H 1 1.474 0.008 . 2 . . . . 2 LYS HD . 17650 1 18 . 1 1 2 2 LYS HE2 H 1 2.761 0.002 . 2 . . . . 2 LYS HE . 17650 1 19 . 1 1 2 2 LYS HE3 H 1 2.761 0.002 . 2 . . . . 2 LYS HE . 17650 1 20 . 1 1 2 2 LYS C C 13 177.179 0.012 . 1 . . . . 2 LYS C . 17650 1 21 . 1 1 2 2 LYS CA C 13 57.400 0.025 . 1 . . . . 2 LYS CA . 17650 1 22 . 1 1 2 2 LYS CB C 13 35.680 0.054 . 1 . . . . 2 LYS CB . 17650 1 23 . 1 1 2 2 LYS CG C 13 26.463 0.006 . 1 . . . . 2 LYS CG . 17650 1 24 . 1 1 2 2 LYS CD C 13 31.136 0.075 . 1 . . . . 2 LYS CD . 17650 1 25 . 1 1 2 2 LYS CE C 13 43.939 0.010 . 1 . . . . 2 LYS CE . 17650 1 26 . 1 1 2 2 LYS N N 15 122.495 0.139 . 1 . . . . 2 LYS N . 17650 1 27 . 1 1 3 3 SER H H 1 8.474 0.016 . 1 . . . . 3 SER H . 17650 1 28 . 1 1 3 3 SER HA H 1 4.063 0.004 . 1 . . . . 3 SER HA . 17650 1 29 . 1 1 3 3 SER HB2 H 1 3.562 0.001 . 2 . . . . 3 SER HB . 17650 1 30 . 1 1 3 3 SER HB3 H 1 3.562 0.001 . 2 . . . . 3 SER HB . 17650 1 31 . 1 1 3 3 SER C C 13 176.423 0.025 . 1 . . . . 3 SER C . 17650 1 32 . 1 1 3 3 SER CA C 13 59.861 0.003 . 1 . . . . 3 SER CA . 17650 1 33 . 1 1 3 3 SER CB C 13 64.021 0.075 . 1 . . . . 3 SER CB . 17650 1 34 . 1 1 3 3 SER N N 15 116.599 0.056 . 1 . . . . 3 SER N . 17650 1 35 . 1 1 4 4 THR H H 1 8.108 0.012 . 1 . . . . 4 THR H . 17650 1 36 . 1 1 4 4 THR HA H 1 4.208 0.012 . 1 . . . . 4 THR HA . 17650 1 37 . 1 1 4 4 THR HB H 1 4.042 0.003 . 1 . . . . 4 THR HB . 17650 1 38 . 1 1 4 4 THR HG21 H 1 1.013 0.000 . 2 . . . . 4 THR HG2 . 17650 1 39 . 1 1 4 4 THR HG22 H 1 1.013 0.000 . 2 . . . . 4 THR HG2 . 17650 1 40 . 1 1 4 4 THR HG23 H 1 1.013 0.000 . 2 . . . . 4 THR HG2 . 17650 1 41 . 1 1 4 4 THR C C 13 176.701 0.015 . 1 . . . . 4 THR C . 17650 1 42 . 1 1 4 4 THR CA C 13 63.725 0.033 . 1 . . . . 4 THR CA . 17650 1 43 . 1 1 4 4 THR CB C 13 71.494 0.009 . 1 . . . . 4 THR CB . 17650 1 44 . 1 1 4 4 THR CG2 C 13 23.906 0.000 . 1 . . . . 4 THR CG2 . 17650 1 45 . 1 1 4 4 THR N N 15 113.530 1.174 . 1 . . . . 4 THR N . 17650 1 46 . 1 1 5 5 GLY H H 1 8.640 0.010 . 1 . . . . 5 GLY H . 17650 1 47 . 1 1 5 5 GLY HA2 H 1 3.733 0.001 . 2 . . . . 5 GLY HA . 17650 1 48 . 1 1 5 5 GLY HA3 H 1 3.733 0.001 . 2 . . . . 5 GLY HA . 17650 1 49 . 1 1 5 5 GLY C C 13 174.181 0.039 . 1 . . . . 5 GLY C . 17650 1 50 . 1 1 5 5 GLY CA C 13 46.861 0.078 . 1 . . . . 5 GLY CA . 17650 1 51 . 1 1 5 5 GLY N N 15 109.883 0.026 . 1 . . . . 5 GLY N . 17650 1 52 . 1 1 6 6 ILE H H 1 8.196 0.016 . 1 . . . . 6 ILE H . 17650 1 53 . 1 1 6 6 ILE HA H 1 3.952 0.007 . 1 . . . . 6 ILE HA . 17650 1 54 . 1 1 6 6 ILE HB H 1 1.659 0.006 . 1 . . . . 6 ILE HB . 17650 1 55 . 1 1 6 6 ILE HG12 H 1 0.971 0.006 . 2 . . . . 6 ILE HG12 . 17650 1 56 . 1 1 6 6 ILE HG13 H 1 1.280 0.006 . 2 . . . . 6 ILE HG13 . 17650 1 57 . 1 1 6 6 ILE HG21 H 1 0.626 0.016 . 1 . . . . 6 ILE QG2 . 17650 1 58 . 1 1 6 6 ILE HG22 H 1 0.626 0.016 . 1 . . . . 6 ILE QG2 . 17650 1 59 . 1 1 6 6 ILE HG23 H 1 0.626 0.016 . 1 . . . . 6 ILE QG2 . 17650 1 60 . 1 1 6 6 ILE HD11 H 1 0.575 0.000 . 1 . . . . 6 ILE QD1 . 17650 1 61 . 1 1 6 6 ILE HD12 H 1 0.575 0.000 . 1 . . . . 6 ILE QD1 . 17650 1 62 . 1 1 6 6 ILE HD13 H 1 0.575 0.000 . 1 . . . . 6 ILE QD1 . 17650 1 63 . 1 1 6 6 ILE C C 13 175.601 0.026 . 1 . . . . 6 ILE C . 17650 1 64 . 1 1 6 6 ILE CA C 13 62.102 0.008 . 1 . . . . 6 ILE CA . 17650 1 65 . 1 1 6 6 ILE CB C 13 40.868 0.131 . 1 . . . . 6 ILE CB . 17650 1 66 . 1 1 6 6 ILE CG1 C 13 28.822 0.029 . 1 . . . . 6 ILE CG1 . 17650 1 67 . 1 1 6 6 ILE CG2 C 13 20.230 0.012 . 1 . . . . 6 ILE CG2 . 17650 1 68 . 1 1 6 6 ILE CD1 C 13 15.281 0.029 . 1 . . . . 6 ILE CD1 . 17650 1 69 . 1 1 6 6 ILE N N 15 120.677 0.064 . 1 . . . . 6 ILE N . 17650 1 70 . 1 1 7 7 VAL H H 1 7.991 0.010 . 1 . . . . 7 VAL H . 17650 1 71 . 1 1 7 7 VAL HA H 1 4.796 0.018 . 1 . . . . 7 VAL HA . 17650 1 72 . 1 1 7 7 VAL HB H 1 1.383 0.007 . 1 . . . . 7 VAL HB . 17650 1 73 . 1 1 7 7 VAL HG11 H 1 0.112 0.021 . 2 . . . . 7 VAL QG1 . 17650 1 74 . 1 1 7 7 VAL HG12 H 1 0.112 0.021 . 2 . . . . 7 VAL QG1 . 17650 1 75 . 1 1 7 7 VAL HG13 H 1 0.112 0.021 . 2 . . . . 7 VAL QG1 . 17650 1 76 . 1 1 7 7 VAL HG21 H 1 0.177 0.016 . 2 . . . . 7 VAL QG2 . 17650 1 77 . 1 1 7 7 VAL HG22 H 1 0.177 0.016 . 2 . . . . 7 VAL QG2 . 17650 1 78 . 1 1 7 7 VAL HG23 H 1 0.177 0.016 . 2 . . . . 7 VAL QG2 . 17650 1 79 . 1 1 7 7 VAL C C 13 178.192 0.018 . 1 . . . . 7 VAL C . 17650 1 80 . 1 1 7 7 VAL CA C 13 62.139 0.003 . 1 . . . . 7 VAL CA . 17650 1 81 . 1 1 7 7 VAL CB C 13 35.371 0.009 . 1 . . . . 7 VAL CB . 17650 1 82 . 1 1 7 7 VAL CG1 C 13 22.692 0.000 . 2 . . . . 7 VAL CG1 . 17650 1 83 . 1 1 7 7 VAL CG2 C 13 23.455 0.000 . 2 . . . . 7 VAL CG2 . 17650 1 84 . 1 1 7 7 VAL N N 15 124.995 0.056 . 1 . . . . 7 VAL N . 17650 1 85 . 1 1 8 8 ARG H H 1 8.955 0.012 . 1 . . . . 8 ARG H . 17650 1 86 . 1 1 8 8 ARG HA H 1 4.624 0.000 . 1 . . . . 8 ARG HA . 17650 1 87 . 1 1 8 8 ARG HB2 H 1 1.369 0.013 . 2 . . . . 8 ARG HB2 . 17650 1 88 . 1 1 8 8 ARG HB3 H 1 1.846 0.009 . 2 . . . . 8 ARG HB3 . 17650 1 89 . 1 1 8 8 ARG HG2 H 1 1.200 0.000 . 2 . . . . 8 ARG HG2 . 17650 1 90 . 1 1 8 8 ARG HG3 H 1 1.630 0.000 . 2 . . . . 8 ARG HG3 . 17650 1 91 . 1 1 8 8 ARG HD2 H 1 3.061 0.000 . 2 . . . . 8 ARG HD2 . 17650 1 92 . 1 1 8 8 ARG HD3 H 1 3.333 0.000 . 2 . . . . 8 ARG HD3 . 17650 1 93 . 1 1 8 8 ARG C C 13 175.728 0.023 . 1 . . . . 8 ARG C . 17650 1 94 . 1 1 8 8 ARG CB C 13 36.598 0.009 . 1 . . . . 8 ARG CB . 17650 1 95 . 1 1 8 8 ARG CG C 13 28.634 0.006 . 1 . . . . 8 ARG CG . 17650 1 96 . 1 1 8 8 ARG CD C 13 44.922 0.025 . 1 . . . . 8 ARG CD . 17650 1 97 . 1 1 8 8 ARG N N 15 125.467 0.053 . 1 . . . . 8 ARG N . 17650 1 98 . 1 1 9 9 LYS H H 1 8.399 0.009 . 1 . . . . 9 LYS H . 17650 1 99 . 1 1 9 9 LYS HA H 1 4.729 0.006 . 1 . . . . 9 LYS HA . 17650 1 100 . 1 1 9 9 LYS HB2 H 1 1.453 0.004 . 2 . . . . 9 LYS HB . 17650 1 101 . 1 1 9 9 LYS HB3 H 1 1.453 0.004 . 2 . . . . 9 LYS HB . 17650 1 102 . 1 1 9 9 LYS HD2 H 1 1.076 0.008 . 2 . . . . 9 LYS HD . 17650 1 103 . 1 1 9 9 LYS HD3 H 1 1.076 0.008 . 2 . . . . 9 LYS HD . 17650 1 104 . 1 1 9 9 LYS HE2 H 1 2.761 0.010 . 2 . . . . 9 LYS HE . 17650 1 105 . 1 1 9 9 LYS HE3 H 1 2.761 0.010 . 2 . . . . 9 LYS HE . 17650 1 106 . 1 1 9 9 LYS C C 13 177.617 0.024 . 1 . . . . 9 LYS C . 17650 1 107 . 1 1 9 9 LYS CA C 13 57.619 0.054 . 1 . . . . 9 LYS CA . 17650 1 108 . 1 1 9 9 LYS CB C 13 35.594 0.009 . 1 . . . . 9 LYS CB . 17650 1 109 . 1 1 9 9 LYS CG C 13 27.082 0.006 . 1 . . . . 9 LYS CG . 17650 1 110 . 1 1 9 9 LYS CD C 13 31.127 0.008 . 1 . . . . 9 LYS CD . 17650 1 111 . 1 1 9 9 LYS CE C 13 43.876 0.025 . 1 . . . . 9 LYS CE . 17650 1 112 . 1 1 9 9 LYS N N 15 118.467 0.056 . 1 . . . . 9 LYS N . 17650 1 113 . 1 1 10 10 VAL H H 1 8.169 0.007 . 1 . . . . 10 VAL H . 17650 1 114 . 1 1 10 10 VAL HA H 1 4.100 0.001 . 1 . . . . 10 VAL HA . 17650 1 115 . 1 1 10 10 VAL HB H 1 1.718 0.004 . 1 . . . . 10 VAL HB . 17650 1 116 . 1 1 10 10 VAL HG11 H 1 0.608 0.021 . 1 . . . . 10 VAL QG1 . 17650 1 117 . 1 1 10 10 VAL HG12 H 1 0.608 0.021 . 1 . . . . 10 VAL QG1 . 17650 1 118 . 1 1 10 10 VAL HG13 H 1 0.608 0.021 . 1 . . . . 10 VAL QG1 . 17650 1 119 . 1 1 10 10 VAL HG21 H 1 0.693 0.016 . 1 . . . . 10 VAL QG2 . 17650 1 120 . 1 1 10 10 VAL HG22 H 1 0.693 0.016 . 1 . . . . 10 VAL QG2 . 17650 1 121 . 1 1 10 10 VAL HG23 H 1 0.693 0.016 . 1 . . . . 10 VAL QG2 . 17650 1 122 . 1 1 10 10 VAL C C 13 176.041 0.008 . 1 . . . . 10 VAL C . 17650 1 123 . 1 1 10 10 VAL CA C 13 63.125 0.003 . 1 . . . . 10 VAL CA . 17650 1 124 . 1 1 10 10 VAL CB C 13 34.234 0.359 . 1 . . . . 10 VAL CB . 17650 1 125 . 1 1 10 10 VAL CG1 C 13 23.327 0.025 . 2 . . . . 10 VAL CG1 . 17650 1 126 . 1 1 10 10 VAL N N 15 120.381 0.072 . 1 . . . . 10 VAL N . 17650 1 127 . 1 1 11 11 ASP H H 1 8.396 0.013 . 1 . . . . 11 ASP H . 17650 1 128 . 1 1 11 11 ASP HA H 1 4.595 0.003 . 1 . . . . 11 ASP HA . 17650 1 129 . 1 1 11 11 ASP HB2 H 1 2.590 0.002 . 2 . . . . 11 ASP HB2 . 17650 1 130 . 1 1 11 11 ASP HB3 H 1 3.194 0.009 . 2 . . . . 11 ASP HB3 . 17650 1 131 . 1 1 11 11 ASP C C 13 178.917 0.008 . 1 . . . . 11 ASP C . 17650 1 132 . 1 1 11 11 ASP CA C 13 54.267 0.042 . 1 . . . . 11 ASP CA . 17650 1 133 . 1 1 11 11 ASP CB C 13 42.427 0.250 . 1 . . . . 11 ASP CB . 17650 1 134 . 1 1 11 11 ASP N N 15 126.016 0.049 . 1 . . . . 11 ASP N . 17650 1 135 . 1 1 12 12 GLU H H 1 9.266 0.013 . 1 . . . . 12 GLU H . 17650 1 136 . 1 1 12 12 GLU HA H 1 3.883 0.001 . 1 . . . . 12 GLU HA . 17650 1 137 . 1 1 12 12 GLU HB2 H 1 1.863 0.013 . 2 . . . . 12 GLU HB2 . 17650 1 138 . 1 1 12 12 GLU HB3 H 1 1.913 0.009 . 2 . . . . 12 GLU HB3 . 17650 1 139 . 1 1 12 12 GLU HG2 H 1 2.096 0.004 . 2 . . . . 12 GLU HG2 . 17650 1 140 . 1 1 12 12 GLU HG3 H 1 2.159 0.001 . 2 . . . . 12 GLU HG3 . 17650 1 141 . 1 1 12 12 GLU C C 13 178.220 0.008 . 1 . . . . 12 GLU C . 17650 1 142 . 1 1 12 12 GLU CA C 13 60.473 0.069 . 1 . . . . 12 GLU CA . 17650 1 143 . 1 1 12 12 GLU CB C 13 30.024 0.009 . 1 . . . . 12 GLU CB . 17650 1 144 . 1 1 12 12 GLU CG C 13 37.573 0.006 . 1 . . . . 12 GLU CG . 17650 1 145 . 1 1 12 12 GLU N N 15 114.998 0.055 . 1 . . . . 12 GLU N . 17650 1 146 . 1 1 13 13 LEU H H 1 8.113 0.000 . 1 . . . . 13 LEU H . 17650 1 147 . 1 1 13 13 LEU HA H 1 4.314 0.013 . 1 . . . . 13 LEU HA . 17650 1 148 . 1 1 13 13 LEU HB2 H 1 1.305 0.026 . 2 . . . . 13 LEU HB2 . 17650 1 149 . 1 1 13 13 LEU HB3 H 1 1.571 0.009 . 2 . . . . 13 LEU HB3 . 17650 1 150 . 1 1 13 13 LEU HG H 1 1.336 0.000 . 1 . . . . 13 LEU HG . 17650 1 151 . 1 1 13 13 LEU HD11 H 1 0.620 0.055 . 1 . . . . 13 LEU QD1 . 17650 1 152 . 1 1 13 13 LEU HD12 H 1 0.620 0.055 . 1 . . . . 13 LEU QD1 . 17650 1 153 . 1 1 13 13 LEU HD13 H 1 0.620 0.055 . 1 . . . . 13 LEU QD1 . 17650 1 154 . 1 1 13 13 LEU HD21 H 1 0.620 0.000 . 1 . . . . 13 LEU QD2 . 17650 1 155 . 1 1 13 13 LEU HD22 H 1 0.620 0.000 . 1 . . . . 13 LEU QD2 . 17650 1 156 . 1 1 13 13 LEU HD23 H 1 0.620 0.000 . 1 . . . . 13 LEU QD2 . 17650 1 157 . 1 1 13 13 LEU C C 13 177.806 0.055 . 1 . . . . 13 LEU C . 17650 1 158 . 1 1 13 13 LEU CA C 13 56.620 0.003 . 1 . . . . 13 LEU CA . 17650 1 159 . 1 1 13 13 LEU CB C 13 43.605 0.009 . 1 . . . . 13 LEU CB . 17650 1 160 . 1 1 13 13 LEU CG C 13 29.408 0.006 . 1 . . . . 13 LEU CG . 17650 1 161 . 1 1 13 13 LEU CD1 C 13 25.247 0.000 . 2 . . . . 13 LEU CD1 . 17650 1 162 . 1 1 13 13 LEU CD2 C 13 26.655 0.025 . 2 . . . . 13 LEU CD2 . 17650 1 163 . 1 1 13 13 LEU N N 15 120.356 0.026 . 1 . . . . 13 LEU N . 17650 1 164 . 1 1 14 14 GLY H H 1 7.997 0.013 . 1 . . . . 14 GLY H . 17650 1 165 . 1 1 14 14 GLY HA2 H 1 3.044 0.023 . 2 . . . . 14 GLY HA2 . 17650 1 166 . 1 1 14 14 GLY HA3 H 1 3.935 0.005 . 2 . . . . 14 GLY HA3 . 17650 1 167 . 1 1 14 14 GLY CA C 13 47.529 0.096 . 1 . . . . 14 GLY CA . 17650 1 168 . 1 1 14 14 GLY N N 15 106.417 0.170 . 1 . . . . 14 GLY N . 17650 1 169 . 1 1 15 15 ARG H H 1 8.292 0.023 . 1 . . . . 15 ARG H . 17650 1 170 . 1 1 15 15 ARG HA H 1 5.020 0.024 . 1 . . . . 15 ARG HA . 17650 1 171 . 1 1 15 15 ARG HB2 H 1 1.053 0.009 . 2 . . . . 15 ARG HB2 . 17650 1 172 . 1 1 15 15 ARG HB3 H 1 1.988 0.001 . 2 . . . . 15 ARG HB3 . 17650 1 173 . 1 1 15 15 ARG HG2 H 1 1.194 0.006 . 2 . . . . 15 ARG HG2 . 17650 1 174 . 1 1 15 15 ARG HG3 H 1 1.391 0.008 . 2 . . . . 15 ARG HG3 . 17650 1 175 . 1 1 15 15 ARG HD2 H 1 2.491 0.005 . 2 . . . . 15 ARG HD2 . 17650 1 176 . 1 1 15 15 ARG HD3 H 1 3.059 0.004 . 2 . . . . 15 ARG HD3 . 17650 1 177 . 1 1 15 15 ARG C C 13 177.953 0.008 . 1 . . . . 15 ARG C . 17650 1 178 . 1 1 15 15 ARG CA C 13 56.102 0.025 . 1 . . . . 15 ARG CA . 17650 1 179 . 1 1 15 15 ARG CB C 13 34.346 0.009 . 1 . . . . 15 ARG CB . 17650 1 180 . 1 1 15 15 ARG CG C 13 28.542 0.056 . 1 . . . . 15 ARG CG . 17650 1 181 . 1 1 15 15 ARG CD C 13 44.463 0.056 . 1 . . . . 15 ARG CD . 17650 1 182 . 1 1 15 15 ARG N N 15 116.394 0.205 . 1 . . . . 15 ARG N . 17650 1 183 . 1 1 16 16 VAL H H 1 8.219 0.018 . 1 . . . . 16 VAL H . 17650 1 184 . 1 1 16 16 VAL HA H 1 4.370 0.000 . 1 . . . . 16 VAL HA . 17650 1 185 . 1 1 16 16 VAL HB H 1 1.469 0.003 . 1 . . . . 16 VAL HB . 17650 1 186 . 1 1 16 16 VAL HG11 H 1 0.505 0.021 . 1 . . . . 16 VAL QG1 . 17650 1 187 . 1 1 16 16 VAL HG12 H 1 0.505 0.021 . 1 . . . . 16 VAL QG1 . 17650 1 188 . 1 1 16 16 VAL HG13 H 1 0.505 0.021 . 1 . . . . 16 VAL QG1 . 17650 1 189 . 1 1 16 16 VAL HG21 H 1 0.555 0.016 . 1 . . . . 16 VAL QG2 . 17650 1 190 . 1 1 16 16 VAL HG22 H 1 0.555 0.016 . 1 . . . . 16 VAL QG2 . 17650 1 191 . 1 1 16 16 VAL HG23 H 1 0.555 0.016 . 1 . . . . 16 VAL QG2 . 17650 1 192 . 1 1 16 16 VAL C C 13 174.353 0.008 . 1 . . . . 16 VAL C . 17650 1 193 . 1 1 16 16 VAL CA C 13 60.436 0.003 . 1 . . . . 16 VAL CA . 17650 1 194 . 1 1 16 16 VAL CB C 13 37.725 0.030 . 1 . . . . 16 VAL CB . 17650 1 195 . 1 1 16 16 VAL CG1 C 13 22.110 0.000 . 2 . . . . 16 VAL CG1 . 17650 1 196 . 1 1 16 16 VAL CG2 C 13 23.135 0.000 . 2 . . . . 16 VAL CG2 . 17650 1 197 . 1 1 16 16 VAL N N 15 117.209 0.045 . 1 . . . . 16 VAL N . 17650 1 198 . 1 1 17 17 VAL H H 1 7.961 0.010 . 1 . . . . 17 VAL H . 17650 1 199 . 1 1 17 17 VAL HA H 1 3.583 0.006 . 1 . . . . 17 VAL HA . 17650 1 200 . 1 1 17 17 VAL HB H 1 1.655 0.003 . 1 . . . . 17 VAL HB . 17650 1 201 . 1 1 17 17 VAL HG11 H 1 0.607 0.045 . 1 . . . . 17 VAL QG1 . 17650 1 202 . 1 1 17 17 VAL HG12 H 1 0.607 0.045 . 1 . . . . 17 VAL QG1 . 17650 1 203 . 1 1 17 17 VAL HG13 H 1 0.607 0.045 . 1 . . . . 17 VAL QG1 . 17650 1 204 . 1 1 17 17 VAL HG21 H 1 0.613 0.016 . 1 . . . . 17 VAL QG2 . 17650 1 205 . 1 1 17 17 VAL HG22 H 1 0.613 0.016 . 1 . . . . 17 VAL QG2 . 17650 1 206 . 1 1 17 17 VAL HG23 H 1 0.613 0.016 . 1 . . . . 17 VAL QG2 . 17650 1 207 . 1 1 17 17 VAL C C 13 177.924 0.025 . 1 . . . . 17 VAL C . 17650 1 208 . 1 1 17 17 VAL CA C 13 63.233 0.054 . 1 . . . . 17 VAL CA . 17650 1 209 . 1 1 17 17 VAL CB C 13 34.119 0.336 . 1 . . . . 17 VAL CB . 17650 1 210 . 1 1 17 17 VAL CG1 C 13 23.364 0.000 . 2 . . . . 17 VAL CG1 . 17650 1 211 . 1 1 17 17 VAL N N 15 124.578 0.077 . 1 . . . . 17 VAL N . 17650 1 212 . 1 1 18 18 ILE H H 1 8.404 0.010 . 1 . . . . 18 ILE H . 17650 1 213 . 1 1 18 18 ILE HA H 1 4.098 0.006 . 1 . . . . 18 ILE HA . 17650 1 214 . 1 1 18 18 ILE HB H 1 1.708 0.003 . 1 . . . . 18 ILE HB . 17650 1 215 . 1 1 18 18 ILE HG12 H 1 1.035 0.003 . 2 . . . . 18 ILE HG12 . 17650 1 216 . 1 1 18 18 ILE HG13 H 1 1.252 0.003 . 2 . . . . 18 ILE HG13 . 17650 1 217 . 1 1 18 18 ILE HG21 H 1 0.620 0.016 . 1 . . . . 18 ILE QG2 . 17650 1 218 . 1 1 18 18 ILE HG22 H 1 0.620 0.016 . 1 . . . . 18 ILE QG2 . 17650 1 219 . 1 1 18 18 ILE HG23 H 1 0.620 0.016 . 1 . . . . 18 ILE QG2 . 17650 1 220 . 1 1 18 18 ILE HD11 H 1 0.407 0.002 . 1 . . . . 18 ILE QD1 . 17650 1 221 . 1 1 18 18 ILE HD12 H 1 0.407 0.002 . 1 . . . . 18 ILE QD1 . 17650 1 222 . 1 1 18 18 ILE HD13 H 1 0.407 0.002 . 1 . . . . 18 ILE QD1 . 17650 1 223 . 1 1 18 18 ILE CA C 13 58.641 0.003 . 1 . . . . 18 ILE CA . 17650 1 224 . 1 1 18 18 ILE CB C 13 38.504 0.009 . 1 . . . . 18 ILE CB . 17650 1 225 . 1 1 18 18 ILE CG1 C 13 28.248 0.015 . 1 . . . . 18 ILE CG1 . 17650 1 226 . 1 1 18 18 ILE CG2 C 13 19.621 0.000 . 1 . . . . 18 ILE CG2 . 17650 1 227 . 1 1 18 18 ILE CD1 C 13 12.902 0.064 . 1 . . . . 18 ILE CD1 . 17650 1 228 . 1 1 18 18 ILE N N 15 126.008 0.038 . 1 . . . . 18 ILE N . 17650 1 229 . 1 1 19 19 PRO HA H 1 4.259 0.006 . 1 . . . . 19 PRO HA . 17650 1 230 . 1 1 19 19 PRO HB2 H 1 1.685 0.013 . 2 . . . . 19 PRO HB2 . 17650 1 231 . 1 1 19 19 PRO HB3 H 1 2.487 0.009 . 2 . . . . 19 PRO HB3 . 17650 1 232 . 1 1 19 19 PRO HG2 H 1 1.773 0.000 . 2 . . . . 19 PRO HG . 17650 1 233 . 1 1 19 19 PRO HG3 H 1 1.773 0.000 . 2 . . . . 19 PRO HG . 17650 1 234 . 1 1 19 19 PRO HD2 H 1 3.195 0.008 . 2 . . . . 19 PRO HD . 17650 1 235 . 1 1 19 19 PRO HD3 H 1 3.195 0.008 . 2 . . . . 19 PRO HD . 17650 1 236 . 1 1 19 19 PRO C C 13 179.197 0.008 . 1 . . . . 19 PRO C . 17650 1 237 . 1 1 19 19 PRO CA C 13 64.677 0.188 . 1 . . . . 19 PRO CA . 17650 1 238 . 1 1 19 19 PRO CB C 13 34.538 0.373 . 1 . . . . 19 PRO CB . 17650 1 239 . 1 1 19 19 PRO CG C 13 29.664 0.006 . 1 . . . . 19 PRO CG . 17650 1 240 . 1 1 19 19 PRO CD C 13 52.775 0.008 . 1 . . . . 19 PRO CD . 17650 1 241 . 1 1 20 20 ILE H H 1 8.838 0.010 . 1 . . . . 20 ILE H . 17650 1 242 . 1 1 20 20 ILE HA H 1 3.691 0.002 . 1 . . . . 20 ILE HA . 17650 1 243 . 1 1 20 20 ILE HB H 1 1.700 0.002 . 1 . . . . 20 ILE HB . 17650 1 244 . 1 1 20 20 ILE HG12 H 1 1.109 0.010 . 2 . . . . 20 ILE HG12 . 17650 1 245 . 1 1 20 20 ILE HG21 H 1 0.784 0.016 . 1 . . . . 20 ILE QG2 . 17650 1 246 . 1 1 20 20 ILE HG22 H 1 0.784 0.016 . 1 . . . . 20 ILE QG2 . 17650 1 247 . 1 1 20 20 ILE HG23 H 1 0.784 0.016 . 1 . . . . 20 ILE QG2 . 17650 1 248 . 1 1 20 20 ILE HD11 H 1 0.738 0.000 . 1 . . . . 20 ILE QD1 . 17650 1 249 . 1 1 20 20 ILE HD12 H 1 0.738 0.000 . 1 . . . . 20 ILE QD1 . 17650 1 250 . 1 1 20 20 ILE HD13 H 1 0.738 0.000 . 1 . . . . 20 ILE QD1 . 17650 1 251 . 1 1 20 20 ILE C C 13 177.010 0.003 . 1 . . . . 20 ILE C . 17650 1 252 . 1 1 20 20 ILE CA C 13 65.256 0.003 . 1 . . . . 20 ILE CA . 17650 1 253 . 1 1 20 20 ILE CB C 13 39.892 0.251 . 1 . . . . 20 ILE CB . 17650 1 254 . 1 1 20 20 ILE CG1 C 13 31.604 0.000 . 1 . . . . 20 ILE CG1 . 17650 1 255 . 1 1 20 20 ILE CG2 C 13 19.331 0.045 . 1 . . . . 20 ILE CG2 . 17650 1 256 . 1 1 20 20 ILE CD1 C 13 15.937 0.000 . 1 . . . . 20 ILE CD1 . 17650 1 257 . 1 1 20 20 ILE N N 15 125.945 0.074 . 1 . . . . 20 ILE N . 17650 1 258 . 1 1 21 21 GLU H H 1 9.698 0.014 . 1 . . . . 21 GLU H . 17650 1 259 . 1 1 21 21 GLU HA H 1 3.804 0.001 . 1 . . . . 21 GLU HA . 17650 1 260 . 1 1 21 21 GLU HB2 H 1 1.786 0.003 . 2 . . . . 21 GLU HB . 17650 1 261 . 1 1 21 21 GLU HB3 H 1 1.786 0.003 . 2 . . . . 21 GLU HB . 17650 1 262 . 1 1 21 21 GLU HG2 H 1 2.076 0.000 . 2 . . . . 21 GLU HG2 . 17650 1 263 . 1 1 21 21 GLU HG3 H 1 2.212 0.000 . 2 . . . . 21 GLU HG3 . 17650 1 264 . 1 1 21 21 GLU C C 13 180.327 0.010 . 1 . . . . 21 GLU C . 17650 1 265 . 1 1 21 21 GLU CA C 13 62.019 0.003 . 1 . . . . 21 GLU CA . 17650 1 266 . 1 1 21 21 GLU CB C 13 29.835 0.009 . 1 . . . . 21 GLU CB . 17650 1 267 . 1 1 21 21 GLU CG C 13 38.354 0.006 . 1 . . . . 21 GLU CG . 17650 1 268 . 1 1 21 21 GLU N N 15 120.414 0.054 . 1 . . . . 21 GLU N . 17650 1 269 . 1 1 22 22 LEU H H 1 7.009 0.017 . 1 . . . . 22 LEU H . 17650 1 270 . 1 1 22 22 LEU HA H 1 4.021 0.045 . 1 . . . . 22 LEU HA . 17650 1 271 . 1 1 22 22 LEU HB2 H 1 1.210 0.013 . 2 . . . . 22 LEU HB2 . 17650 1 272 . 1 1 22 22 LEU HB3 H 1 1.520 0.009 . 2 . . . . 22 LEU HB3 . 17650 1 273 . 1 1 22 22 LEU HG H 1 1.459 0.000 . 1 . . . . 22 LEU HG . 17650 1 274 . 1 1 22 22 LEU HD11 H 1 0.639 0.000 . 1 . . . . 22 LEU QD1 . 17650 1 275 . 1 1 22 22 LEU HD12 H 1 0.639 0.000 . 1 . . . . 22 LEU QD1 . 17650 1 276 . 1 1 22 22 LEU HD13 H 1 0.639 0.000 . 1 . . . . 22 LEU QD1 . 17650 1 277 . 1 1 22 22 LEU HD21 H 1 0.644 0.000 . 1 . . . . 22 LEU QD2 . 17650 1 278 . 1 1 22 22 LEU HD22 H 1 0.644 0.000 . 1 . . . . 22 LEU QD2 . 17650 1 279 . 1 1 22 22 LEU HD23 H 1 0.644 0.000 . 1 . . . . 22 LEU QD2 . 17650 1 280 . 1 1 22 22 LEU C C 13 179.725 0.007 . 1 . . . . 22 LEU C . 17650 1 281 . 1 1 22 22 LEU CA C 13 59.012 0.008 . 1 . . . . 22 LEU CA . 17650 1 282 . 1 1 22 22 LEU CB C 13 42.850 0.040 . 1 . . . . 22 LEU CB . 17650 1 283 . 1 1 22 22 LEU CG C 13 29.685 0.006 . 1 . . . . 22 LEU CG . 17650 1 284 . 1 1 22 22 LEU CD1 C 13 25.247 0.010 . 2 . . . . 22 LEU CD1 . 17650 1 285 . 1 1 22 22 LEU CD2 C 13 27.430 0.000 . 2 . . . . 22 LEU CD2 . 17650 1 286 . 1 1 22 22 LEU N N 15 115.990 0.056 . 1 . . . . 22 LEU N . 17650 1 287 . 1 1 23 23 ARG H H 1 7.472 0.015 . 1 . . . . 23 ARG H . 17650 1 288 . 1 1 23 23 ARG HA H 1 3.550 0.014 . 1 . . . . 23 ARG HA . 17650 1 289 . 1 1 23 23 ARG HB2 H 1 1.808 0.013 . 2 . . . . 23 ARG HB2 . 17650 1 290 . 1 1 23 23 ARG HB3 H 1 2.040 0.055 . 2 . . . . 23 ARG HB3 . 17650 1 291 . 1 1 23 23 ARG HG2 H 1 1.011 0.000 . 2 . . . . 23 ARG HG2 . 17650 1 292 . 1 1 23 23 ARG HG3 H 1 1.447 0.000 . 2 . . . . 23 ARG HG3 . 17650 1 293 . 1 1 23 23 ARG HD2 H 1 3.048 0.008 . 2 . . . . 23 ARG HD . 17650 1 294 . 1 1 23 23 ARG HD3 H 1 3.048 0.008 . 2 . . . . 23 ARG HD . 17650 1 295 . 1 1 23 23 ARG C C 13 179.793 0.008 . 1 . . . . 23 ARG C . 17650 1 296 . 1 1 23 23 ARG CA C 13 62.129 0.003 . 1 . . . . 23 ARG CA . 17650 1 297 . 1 1 23 23 ARG CB C 13 31.005 0.009 . 1 . . . . 23 ARG CB . 17650 1 298 . 1 1 23 23 ARG CG C 13 31.546 0.275 . 1 . . . . 23 ARG CG . 17650 1 299 . 1 1 23 23 ARG CD C 13 45.462 0.008 . 1 . . . . 23 ARG CD . 17650 1 300 . 1 1 23 23 ARG N N 15 116.451 0.055 . 1 . . . . 23 ARG N . 17650 1 301 . 1 1 24 24 ARG H H 1 8.576 0.013 . 1 . . . . 24 ARG H . 17650 1 302 . 1 1 24 24 ARG HA H 1 3.939 0.000 . 1 . . . . 24 ARG HA . 17650 1 303 . 1 1 24 24 ARG HB2 H 1 1.686 0.003 . 2 . . . . 24 ARG HB . 17650 1 304 . 1 1 24 24 ARG HB3 H 1 1.686 0.003 . 2 . . . . 24 ARG HB . 17650 1 305 . 1 1 24 24 ARG HG2 H 1 1.442 0.045 . 2 . . . . 24 ARG HG2 . 17650 1 306 . 1 1 24 24 ARG HG3 H 1 1.551 0.000 . 2 . . . . 24 ARG HG3 . 17650 1 307 . 1 1 24 24 ARG HD2 H 1 2.960 0.008 . 2 . . . . 24 ARG HD . 17650 1 308 . 1 1 24 24 ARG HD3 H 1 2.960 0.008 . 2 . . . . 24 ARG HD . 17650 1 309 . 1 1 24 24 ARG C C 13 181.000 0.008 . 1 . . . . 24 ARG C . 17650 1 310 . 1 1 24 24 ARG CA C 13 60.620 0.003 . 1 . . . . 24 ARG CA . 17650 1 311 . 1 1 24 24 ARG CB C 13 31.521 0.220 . 1 . . . . 24 ARG CB . 17650 1 312 . 1 1 24 24 ARG CG C 13 29.391 0.006 . 1 . . . . 24 ARG CG . 17650 1 313 . 1 1 24 24 ARG CD C 13 45.264 0.008 . 1 . . . . 24 ARG CD . 17650 1 314 . 1 1 24 24 ARG N N 15 116.530 0.037 . 1 . . . . 24 ARG N . 17650 1 315 . 1 1 25 25 THR H H 1 7.467 0.011 . 1 . . . . 25 THR H . 17650 1 316 . 1 1 25 25 THR HA H 1 3.811 0.000 . 1 . . . . 25 THR HA . 17650 1 317 . 1 1 25 25 THR HB H 1 4.064 0.002 . 1 . . . . 25 THR HB . 17650 1 318 . 1 1 25 25 THR HG21 H 1 1.107 0.000 . 2 . . . . 25 THR HG2 . 17650 1 319 . 1 1 25 25 THR HG22 H 1 1.107 0.000 . 2 . . . . 25 THR HG2 . 17650 1 320 . 1 1 25 25 THR HG23 H 1 1.107 0.000 . 2 . . . . 25 THR HG2 . 17650 1 321 . 1 1 25 25 THR C C 13 176.565 0.008 . 1 . . . . 25 THR C . 17650 1 322 . 1 1 25 25 THR CA C 13 68.222 0.003 . 1 . . . . 25 THR CA . 17650 1 323 . 1 1 25 25 THR CB C 13 70.886 0.009 . 1 . . . . 25 THR CB . 17650 1 324 . 1 1 25 25 THR CG2 C 13 23.727 0.000 . 1 . . . . 25 THR CG2 . 17650 1 325 . 1 1 25 25 THR N N 15 114.160 0.023 . 1 . . . . 25 THR N . 17650 1 326 . 1 1 26 26 LEU H H 1 7.273 0.017 . 1 . . . . 26 LEU H . 17650 1 327 . 1 1 26 26 LEU HA H 1 4.242 0.008 . 1 . . . . 26 LEU HA . 17650 1 328 . 1 1 26 26 LEU HB2 H 1 1.448 0.003 . 2 . . . . 26 LEU HB . 17650 1 329 . 1 1 26 26 LEU HB3 H 1 1.448 0.003 . 2 . . . . 26 LEU HB . 17650 1 330 . 1 1 26 26 LEU HG H 1 1.465 0.000 . 1 . . . . 26 LEU HG . 17650 1 331 . 1 1 26 26 LEU HD11 H 1 0.594 0.000 . 1 . . . . 26 LEU QD1 . 17650 1 332 . 1 1 26 26 LEU HD12 H 1 0.594 0.000 . 1 . . . . 26 LEU QD1 . 17650 1 333 . 1 1 26 26 LEU HD13 H 1 0.594 0.000 . 1 . . . . 26 LEU QD1 . 17650 1 334 . 1 1 26 26 LEU HD21 H 1 0.594 0.000 . 1 . . . . 26 LEU QD2 . 17650 1 335 . 1 1 26 26 LEU HD22 H 1 0.594 0.000 . 1 . . . . 26 LEU QD2 . 17650 1 336 . 1 1 26 26 LEU HD23 H 1 0.594 0.000 . 1 . . . . 26 LEU QD2 . 17650 1 337 . 1 1 26 26 LEU C C 13 178.101 0.011 . 1 . . . . 26 LEU C . 17650 1 338 . 1 1 26 26 LEU CA C 13 56.308 0.010 . 1 . . . . 26 LEU CA . 17650 1 339 . 1 1 26 26 LEU CB C 13 44.584 0.009 . 1 . . . . 26 LEU CB . 17650 1 340 . 1 1 26 26 LEU CG C 13 29.600 0.045 . 1 . . . . 26 LEU CG . 17650 1 341 . 1 1 26 26 LEU CD1 C 13 24.991 0.000 . 2 . . . . 26 LEU CD1 . 17650 1 342 . 1 1 26 26 LEU CD2 C 13 27.400 0.000 . 2 . . . . 26 LEU CD2 . 17650 1 343 . 1 1 26 26 LEU N N 15 117.294 0.067 . 1 . . . . 26 LEU N . 17650 1 344 . 1 1 27 27 GLY H H 1 7.579 0.010 . 1 . . . . 27 GLY H . 17650 1 345 . 1 1 27 27 GLY HA2 H 1 3.763 0.000 . 2 . . . . 27 GLY HA . 17650 1 346 . 1 1 27 27 GLY HA3 H 1 3.763 0.000 . 2 . . . . 27 GLY HA . 17650 1 347 . 1 1 27 27 GLY C C 13 175.523 0.008 . 1 . . . . 27 GLY C . 17650 1 348 . 1 1 27 27 GLY CA C 13 48.898 0.094 . 1 . . . . 27 GLY CA . 17650 1 349 . 1 1 27 27 GLY N N 15 108.526 0.034 . 1 . . . . 27 GLY N . 17650 1 350 . 1 1 28 28 ILE H H 1 8.068 0.016 . 1 . . . . 28 ILE H . 17650 1 351 . 1 1 28 28 ILE HA H 1 4.014 0.011 . 1 . . . . 28 ILE HA . 17650 1 352 . 1 1 28 28 ILE HB H 1 1.374 0.003 . 1 . . . . 28 ILE HB . 17650 1 353 . 1 1 28 28 ILE HG12 H 1 1.355 0.000 . 2 . . . . 28 ILE HG1 . 17650 1 354 . 1 1 28 28 ILE HG13 H 1 1.355 0.000 . 2 . . . . 28 ILE HG1 . 17650 1 355 . 1 1 28 28 ILE HG21 H 1 0.652 0.016 . 1 . . . . 28 ILE QG2 . 17650 1 356 . 1 1 28 28 ILE HG22 H 1 0.652 0.016 . 1 . . . . 28 ILE QG2 . 17650 1 357 . 1 1 28 28 ILE HG23 H 1 0.652 0.016 . 1 . . . . 28 ILE QG2 . 17650 1 358 . 1 1 28 28 ILE HD11 H 1 0.607 0.000 . 1 . . . . 28 ILE QD1 . 17650 1 359 . 1 1 28 28 ILE HD12 H 1 0.607 0.000 . 1 . . . . 28 ILE QD1 . 17650 1 360 . 1 1 28 28 ILE HD13 H 1 0.607 0.000 . 1 . . . . 28 ILE QD1 . 17650 1 361 . 1 1 28 28 ILE C C 13 175.500 0.008 . 1 . . . . 28 ILE C . 17650 1 362 . 1 1 28 28 ILE CA C 13 62.141 0.054 . 1 . . . . 28 ILE CA . 17650 1 363 . 1 1 28 28 ILE CB C 13 40.301 0.182 . 1 . . . . 28 ILE CB . 17650 1 364 . 1 1 28 28 ILE CG2 C 13 20.199 0.000 . 1 . . . . 28 ILE CG2 . 17650 1 365 . 1 1 28 28 ILE CD1 C 13 15.998 0.045 . 1 . . . . 28 ILE CD1 . 17650 1 366 . 1 1 28 28 ILE N N 15 118.574 0.067 . 1 . . . . 28 ILE N . 17650 1 367 . 1 1 29 29 ALA H H 1 9.353 0.017 . 1 . . . . 29 ALA H . 17650 1 368 . 1 1 29 29 ALA HA H 1 4.287 0.000 . 1 . . . . 29 ALA HA . 17650 1 369 . 1 1 29 29 ALA HB1 H 1 1.212 0.009 . 2 . . . . 29 ALA QB . 17650 1 370 . 1 1 29 29 ALA HB2 H 1 1.212 0.009 . 2 . . . . 29 ALA QB . 17650 1 371 . 1 1 29 29 ALA HB3 H 1 1.212 0.009 . 2 . . . . 29 ALA QB . 17650 1 372 . 1 1 29 29 ALA C C 13 178.265 0.006 . 1 . . . . 29 ALA C . 17650 1 373 . 1 1 29 29 ALA CA C 13 52.270 0.049 . 1 . . . . 29 ALA CA . 17650 1 374 . 1 1 29 29 ALA CB C 13 22.989 0.234 . 1 . . . . 29 ALA CB . 17650 1 375 . 1 1 29 29 ALA N N 15 108.518 7.236 . 1 . . . . 29 ALA N . 17650 1 376 . 1 1 30 30 GLU H H 1 8.462 0.010 . 1 . . . . 30 GLU H . 17650 1 377 . 1 1 30 30 GLU HA H 1 3.558 0.003 . 1 . . . . 30 GLU HA . 17650 1 378 . 1 1 30 30 GLU HB2 H 1 1.725 0.013 . 2 . . . . 30 GLU HB2 . 17650 1 379 . 1 1 30 30 GLU HB3 H 1 1.792 0.009 . 2 . . . . 30 GLU HB3 . 17650 1 380 . 1 1 30 30 GLU HG2 H 1 1.973 0.000 . 2 . . . . 30 GLU HG2 . 17650 1 381 . 1 1 30 30 GLU HG3 H 1 2.172 0.000 . 2 . . . . 30 GLU HG3 . 17650 1 382 . 1 1 30 30 GLU C C 13 178.251 0.008 . 1 . . . . 30 GLU C . 17650 1 383 . 1 1 30 30 GLU CA C 13 60.552 0.003 . 1 . . . . 30 GLU CA . 17650 1 384 . 1 1 30 30 GLU CB C 13 31.115 0.009 . 1 . . . . 30 GLU CB . 17650 1 385 . 1 1 30 30 GLU CG C 13 38.306 0.006 . 1 . . . . 30 GLU CG . 17650 1 386 . 1 1 30 30 GLU N N 15 118.315 0.038 . 1 . . . . 30 GLU N . 17650 1 387 . 1 1 31 31 LYS H H 1 8.092 0.011 . 1 . . . . 31 LYS H . 17650 1 388 . 1 1 31 31 LYS HA H 1 3.880 0.002 . 1 . . . . 31 LYS HA . 17650 1 389 . 1 1 31 31 LYS HB2 H 1 1.837 0.013 . 2 . . . . 31 LYS HB2 . 17650 1 390 . 1 1 31 31 LYS HB3 H 1 1.941 0.055 . 2 . . . . 31 LYS HB3 . 17650 1 391 . 1 1 31 31 LYS HG2 H 1 1.482 0.000 . 2 . . . . 31 LYS HG . 17650 1 392 . 1 1 31 31 LYS HG3 H 1 1.482 0.000 . 2 . . . . 31 LYS HG . 17650 1 393 . 1 1 31 31 LYS HD2 H 1 1.193 0.008 . 2 . . . . 31 LYS HD . 17650 1 394 . 1 1 31 31 LYS HD3 H 1 1.193 0.008 . 2 . . . . 31 LYS HD . 17650 1 395 . 1 1 31 31 LYS HE2 H 1 2.794 0.055 . 2 . . . . 31 LYS HE . 17650 1 396 . 1 1 31 31 LYS HE3 H 1 2.794 0.055 . 2 . . . . 31 LYS HE . 17650 1 397 . 1 1 31 31 LYS C C 13 177.051 0.008 . 1 . . . . 31 LYS C . 17650 1 398 . 1 1 31 31 LYS CA C 13 59.337 0.029 . 1 . . . . 31 LYS CA . 17650 1 399 . 1 1 31 31 LYS CB C 13 32.267 0.010 . 1 . . . . 31 LYS CB . 17650 1 400 . 1 1 31 31 LYS CG C 13 27.359 0.006 . 1 . . . . 31 LYS CG . 17650 1 401 . 1 1 31 31 LYS CD C 13 31.072 0.045 . 1 . . . . 31 LYS CD . 17650 1 402 . 1 1 31 31 LYS CE C 13 44.067 0.000 . 1 . . . . 31 LYS CE . 17650 1 403 . 1 1 31 31 LYS N N 15 114.502 0.046 . 1 . . . . 31 LYS N . 17650 1 404 . 1 1 32 32 ASP H H 1 7.652 0.011 . 1 . . . . 32 ASP H . 17650 1 405 . 1 1 32 32 ASP HA H 1 4.498 0.003 . 1 . . . . 32 ASP HA . 17650 1 406 . 1 1 32 32 ASP HB2 H 1 2.344 0.010 . 2 . . . . 32 ASP HB2 . 17650 1 407 . 1 1 32 32 ASP HB3 H 1 2.801 0.004 . 2 . . . . 32 ASP HB3 . 17650 1 408 . 1 1 32 32 ASP C C 13 176.063 0.018 . 1 . . . . 32 ASP C . 17650 1 409 . 1 1 32 32 ASP CA C 13 57.189 0.003 . 1 . . . . 32 ASP CA . 17650 1 410 . 1 1 32 32 ASP CB C 13 43.312 0.009 . 1 . . . . 32 ASP CB . 17650 1 411 . 1 1 32 32 ASP N N 15 118.883 0.054 . 1 . . . . 32 ASP N . 17650 1 412 . 1 1 33 33 ALA H H 1 8.440 0.010 . 1 . . . . 33 ALA H . 17650 1 413 . 1 1 33 33 ALA HA H 1 4.492 0.000 . 1 . . . . 33 ALA HA . 17650 1 414 . 1 1 33 33 ALA HB1 H 1 1.140 0.009 . 1 . . . . 33 ALA QB . 17650 1 415 . 1 1 33 33 ALA HB2 H 1 1.140 0.009 . 1 . . . . 33 ALA QB . 17650 1 416 . 1 1 33 33 ALA HB3 H 1 1.140 0.009 . 1 . . . . 33 ALA QB . 17650 1 417 . 1 1 33 33 ALA C C 13 177.262 0.008 . 1 . . . . 33 ALA C . 17650 1 418 . 1 1 33 33 ALA CA C 13 52.702 0.045 . 1 . . . . 33 ALA CA . 17650 1 419 . 1 1 33 33 ALA CB C 13 22.189 0.008 . 1 . . . . 33 ALA CB . 17650 1 420 . 1 1 33 33 ALA N N 15 120.392 0.031 . 1 . . . . 33 ALA N . 17650 1 421 . 1 1 34 34 LEU H H 1 8.900 0.017 . 1 . . . . 34 LEU H . 17650 1 422 . 1 1 34 34 LEU HA H 1 4.875 0.000 . 1 . . . . 34 LEU HA . 17650 1 423 . 1 1 34 34 LEU HB2 H 1 1.018 0.006 . 2 . . . . 34 LEU HB2 . 17650 1 424 . 1 1 34 34 LEU HB3 H 1 1.448 0.009 . 2 . . . . 34 LEU HB3 . 17650 1 425 . 1 1 34 34 LEU HG H 1 1.399 0.000 . 1 . . . . 34 LEU HG . 17650 1 426 . 1 1 34 34 LEU HD11 H 1 0.482 0.000 . 1 . . . . 34 LEU QD1 . 17650 1 427 . 1 1 34 34 LEU HD12 H 1 0.482 0.000 . 1 . . . . 34 LEU QD1 . 17650 1 428 . 1 1 34 34 LEU HD13 H 1 0.482 0.000 . 1 . . . . 34 LEU QD1 . 17650 1 429 . 1 1 34 34 LEU HD21 H 1 0.464 0.000 . 1 . . . . 34 LEU QD2 . 17650 1 430 . 1 1 34 34 LEU HD22 H 1 0.464 0.000 . 1 . . . . 34 LEU QD2 . 17650 1 431 . 1 1 34 34 LEU HD23 H 1 0.464 0.000 . 1 . . . . 34 LEU QD2 . 17650 1 432 . 1 1 34 34 LEU C C 13 175.926 0.015 . 1 . . . . 34 LEU C . 17650 1 433 . 1 1 34 34 LEU CA C 13 54.498 0.003 . 1 . . . . 34 LEU CA . 17650 1 434 . 1 1 34 34 LEU CB C 13 45.825 0.009 . 1 . . . . 34 LEU CB . 17650 1 435 . 1 1 34 34 LEU CG C 13 28.671 0.045 . 1 . . . . 34 LEU CG . 17650 1 436 . 1 1 34 34 LEU CD2 C 13 25.270 0.000 . 2 . . . . 34 LEU CD2 . 17650 1 437 . 1 1 34 34 LEU N N 15 120.259 0.044 . 1 . . . . 34 LEU N . 17650 1 438 . 1 1 35 35 GLU H H 1 9.311 0.013 . 1 . . . . 35 GLU H . 17650 1 439 . 1 1 35 35 GLU HA H 1 4.611 0.001 . 1 . . . . 35 GLU HA . 17650 1 440 . 1 1 35 35 GLU HB2 H 1 1.713 0.013 . 2 . . . . 35 GLU HB2 . 17650 1 441 . 1 1 35 35 GLU HB3 H 1 1.848 0.009 . 2 . . . . 35 GLU HB3 . 17650 1 442 . 1 1 35 35 GLU HG2 H 1 1.831 0.000 . 2 . . . . 35 GLU HG . 17650 1 443 . 1 1 35 35 GLU HG3 H 1 1.831 0.000 . 2 . . . . 35 GLU HG . 17650 1 444 . 1 1 35 35 GLU C C 13 176.474 0.013 . 1 . . . . 35 GLU C . 17650 1 445 . 1 1 35 35 GLU CA C 13 57.043 0.003 . 1 . . . . 35 GLU CA . 17650 1 446 . 1 1 35 35 GLU CB C 13 33.411 0.009 . 1 . . . . 35 GLU CB . 17650 1 447 . 1 1 35 35 GLU CG C 13 38.125 0.006 . 1 . . . . 35 GLU CG . 17650 1 448 . 1 1 35 35 GLU N N 15 122.316 0.036 . 1 . . . . 35 GLU N . 17650 1 449 . 1 1 36 36 ILE H H 1 8.242 0.012 . 1 . . . . 36 ILE H . 17650 1 450 . 1 1 36 36 ILE HA H 1 4.979 0.006 . 1 . . . . 36 ILE HA . 17650 1 451 . 1 1 36 36 ILE HB H 1 1.460 0.004 . 1 . . . . 36 ILE HB . 17650 1 452 . 1 1 36 36 ILE HG21 H 1 0.562 0.003 . 1 . . . . 36 ILE QG2 . 17650 1 453 . 1 1 36 36 ILE HG22 H 1 0.562 0.003 . 1 . . . . 36 ILE QG2 . 17650 1 454 . 1 1 36 36 ILE HG23 H 1 0.562 0.003 . 1 . . . . 36 ILE QG2 . 17650 1 455 . 1 1 36 36 ILE HD11 H 1 0.488 0.002 . 1 . . . . 36 ILE QD1 . 17650 1 456 . 1 1 36 36 ILE HD12 H 1 0.488 0.002 . 1 . . . . 36 ILE QD1 . 17650 1 457 . 1 1 36 36 ILE HD13 H 1 0.488 0.002 . 1 . . . . 36 ILE QD1 . 17650 1 458 . 1 1 36 36 ILE C C 13 177.009 0.008 . 1 . . . . 36 ILE C . 17650 1 459 . 1 1 36 36 ILE CA C 13 62.406 0.045 . 1 . . . . 36 ILE CA . 17650 1 460 . 1 1 36 36 ILE CB C 13 40.504 0.009 . 1 . . . . 36 ILE CB . 17650 1 461 . 1 1 36 36 ILE CG2 C 13 19.367 0.041 . 1 . . . . 36 ILE CG2 . 17650 1 462 . 1 1 36 36 ILE CD1 C 13 15.411 0.044 . 1 . . . . 36 ILE CD1 . 17650 1 463 . 1 1 36 36 ILE N N 15 121.812 0.062 . 1 . . . . 36 ILE N . 17650 1 464 . 1 1 37 37 TYR H H 1 9.463 0.000 . 1 . . . . 37 TYR H . 17650 1 465 . 1 1 37 37 TYR HA H 1 4.909 0.000 . 1 . . . . 37 TYR HA . 17650 1 466 . 1 1 37 37 TYR HB2 H 1 2.778 0.002 . 2 . . . . 37 TYR HB . 17650 1 467 . 1 1 37 37 TYR HB3 H 1 2.778 0.002 . 2 . . . . 37 TYR HB . 17650 1 468 . 1 1 37 37 TYR HD1 H 1 6.740 0.001 . 3 . . . . 37 TYR HD . 17650 1 469 . 1 1 37 37 TYR HD2 H 1 6.740 0.001 . 3 . . . . 37 TYR HD . 17650 1 470 . 1 1 37 37 TYR HE1 H 1 6.515 0.001 . 3 . . . . 37 TYR HE . 17650 1 471 . 1 1 37 37 TYR HE2 H 1 6.515 0.001 . 3 . . . . 37 TYR HE . 17650 1 472 . 1 1 37 37 TYR C C 13 174.500 0.008 . 1 . . . . 37 TYR C . 17650 1 473 . 1 1 37 37 TYR CA C 13 57.363 0.003 . 1 . . . . 37 TYR CA . 17650 1 474 . 1 1 37 37 TYR CB C 13 42.828 0.054 . 1 . . . . 37 TYR CB . 17650 1 475 . 1 1 37 37 TYR CD1 C 13 133.024 0.008 . 3 . . . . 37 TYR CD1 . 17650 1 476 . 1 1 37 37 TYR CE1 C 13 117.887 0.000 . 3 . . . . 37 TYR CE1 . 17650 1 477 . 1 1 37 37 TYR N N 15 126.167 0.000 . 1 . . . . 37 TYR N . 17650 1 478 . 1 1 38 38 VAL H H 1 8.558 0.013 . 1 . . . . 38 VAL H . 17650 1 479 . 1 1 38 38 VAL HA H 1 4.929 0.002 . 1 . . . . 38 VAL HA . 17650 1 480 . 1 1 38 38 VAL HB H 1 1.822 0.010 . 1 . . . . 38 VAL HB . 17650 1 481 . 1 1 38 38 VAL HG11 H 1 0.748 0.021 . 1 . . . . 38 VAL QG1 . 17650 1 482 . 1 1 38 38 VAL HG12 H 1 0.748 0.021 . 1 . . . . 38 VAL QG1 . 17650 1 483 . 1 1 38 38 VAL HG13 H 1 0.748 0.021 . 1 . . . . 38 VAL QG1 . 17650 1 484 . 1 1 38 38 VAL HG21 H 1 0.750 0.010 . 1 . . . . 38 VAL QG2 . 17650 1 485 . 1 1 38 38 VAL HG22 H 1 0.750 0.010 . 1 . . . . 38 VAL QG2 . 17650 1 486 . 1 1 38 38 VAL HG23 H 1 0.750 0.010 . 1 . . . . 38 VAL QG2 . 17650 1 487 . 1 1 38 38 VAL C C 13 176.078 0.008 . 1 . . . . 38 VAL C . 17650 1 488 . 1 1 38 38 VAL CA C 13 61.951 0.003 . 1 . . . . 38 VAL CA . 17650 1 489 . 1 1 38 38 VAL CB C 13 36.583 0.367 . 1 . . . . 38 VAL CB . 17650 1 490 . 1 1 38 38 VAL CG1 C 13 23.645 0.045 . 2 . . . . 38 VAL CG1 . 17650 1 491 . 1 1 38 38 VAL N N 15 115.695 0.048 . 1 . . . . 38 VAL N . 17650 1 492 . 1 1 39 39 ASP H H 1 8.368 0.013 . 1 . . . . 39 ASP H . 17650 1 493 . 1 1 39 39 ASP HA H 1 4.606 0.005 . 1 . . . . 39 ASP HA . 17650 1 494 . 1 1 39 39 ASP HB2 H 1 2.364 0.012 . 2 . . . . 39 ASP HB . 17650 1 495 . 1 1 39 39 ASP HB3 H 1 2.364 0.012 . 2 . . . . 39 ASP HB . 17650 1 496 . 1 1 39 39 ASP C C 13 176.575 0.015 . 1 . . . . 39 ASP C . 17650 1 497 . 1 1 39 39 ASP CA C 13 54.561 0.003 . 1 . . . . 39 ASP CA . 17650 1 498 . 1 1 39 39 ASP CB C 13 45.047 0.009 . 1 . . . . 39 ASP CB . 17650 1 499 . 1 1 39 39 ASP N N 15 124.167 0.054 . 1 . . . . 39 ASP N . 17650 1 500 . 1 1 40 40 ASP H H 1 8.690 0.015 . 1 . . . . 40 ASP H . 17650 1 501 . 1 1 40 40 ASP HA H 1 4.015 0.000 . 1 . . . . 40 ASP HA . 17650 1 502 . 1 1 40 40 ASP HB2 H 1 2.487 0.004 . 2 . . . . 40 ASP HB2 . 17650 1 503 . 1 1 40 40 ASP HB3 H 1 2.681 0.004 . 2 . . . . 40 ASP HB3 . 17650 1 504 . 1 1 40 40 ASP C C 13 176.051 0.004 . 1 . . . . 40 ASP C . 17650 1 505 . 1 1 40 40 ASP CA C 13 57.781 0.003 . 1 . . . . 40 ASP CA . 17650 1 506 . 1 1 40 40 ASP CB C 13 40.848 0.045 . 1 . . . . 40 ASP CB . 17650 1 507 . 1 1 40 40 ASP N N 15 121.863 0.038 . 1 . . . . 40 ASP N . 17650 1 508 . 1 1 41 41 GLU H H 1 8.727 0.008 . 1 . . . . 41 GLU H . 17650 1 509 . 1 1 41 41 GLU HA H 1 3.960 0.165 . 1 . . . . 41 GLU HA . 17650 1 510 . 1 1 41 41 GLU HB2 H 1 1.974 0.003 . 2 . . . . 41 GLU HB . 17650 1 511 . 1 1 41 41 GLU HB3 H 1 1.974 0.003 . 2 . . . . 41 GLU HB . 17650 1 512 . 1 1 41 41 GLU HG2 H 1 2.040 0.000 . 2 . . . . 41 GLU HG . 17650 1 513 . 1 1 41 41 GLU HG3 H 1 2.040 0.000 . 2 . . . . 41 GLU HG . 17650 1 514 . 1 1 41 41 GLU C C 13 175.414 0.008 . 1 . . . . 41 GLU C . 17650 1 515 . 1 1 41 41 GLU CA C 13 58.433 0.003 . 1 . . . . 41 GLU CA . 17650 1 516 . 1 1 41 41 GLU CB C 13 30.982 0.054 . 1 . . . . 41 GLU CB . 17650 1 517 . 1 1 41 41 GLU CG C 13 38.406 0.006 . 1 . . . . 41 GLU CG . 17650 1 518 . 1 1 41 41 GLU N N 15 117.443 0.079 . 1 . . . . 41 GLU N . 17650 1 519 . 1 1 42 42 LYS H H 1 7.956 0.016 . 1 . . . . 42 LYS H . 17650 1 520 . 1 1 42 42 LYS HA H 1 4.602 0.010 . 1 . . . . 42 LYS HA . 17650 1 521 . 1 1 42 42 LYS HB2 H 1 1.344 0.007 . 2 . . . . 42 LYS HB2 . 17650 1 522 . 1 1 42 42 LYS HB3 H 1 1.709 0.001 . 2 . . . . 42 LYS HB3 . 17650 1 523 . 1 1 42 42 LYS HD2 H 1 1.173 0.008 . 2 . . . . 42 LYS HD . 17650 1 524 . 1 1 42 42 LYS HD3 H 1 1.173 0.008 . 2 . . . . 42 LYS HD . 17650 1 525 . 1 1 42 42 LYS HE2 H 1 2.732 0.002 . 2 . . . . 42 LYS HE . 17650 1 526 . 1 1 42 42 LYS HE3 H 1 2.732 0.002 . 2 . . . . 42 LYS HE . 17650 1 527 . 1 1 42 42 LYS C C 13 175.798 0.007 . 1 . . . . 42 LYS C . 17650 1 528 . 1 1 42 42 LYS CA C 13 56.676 0.045 . 1 . . . . 42 LYS CA . 17650 1 529 . 1 1 42 42 LYS CB C 13 35.761 0.009 . 1 . . . . 42 LYS CB . 17650 1 530 . 1 1 42 42 LYS CG C 13 25.823 0.010 . 1 . . . . 42 LYS CG . 17650 1 531 . 1 1 42 42 LYS CD C 13 31.232 0.008 . 1 . . . . 42 LYS CD . 17650 1 532 . 1 1 42 42 LYS CE C 13 43.262 0.000 . 1 . . . . 42 LYS CE . 17650 1 533 . 1 1 42 42 LYS N N 15 117.529 0.104 . 1 . . . . 42 LYS N . 17650 1 534 . 1 1 43 43 ILE H H 1 8.484 0.012 . 1 . . . . 43 ILE H . 17650 1 535 . 1 1 43 43 ILE HA H 1 4.250 0.045 . 1 . . . . 43 ILE HA . 17650 1 536 . 1 1 43 43 ILE HB H 1 1.510 0.017 . 1 . . . . 43 ILE HB . 17650 1 537 . 1 1 43 43 ILE HG21 H 1 0.556 0.016 . 1 . . . . 43 ILE QG2 . 17650 1 538 . 1 1 43 43 ILE HG22 H 1 0.556 0.016 . 1 . . . . 43 ILE QG2 . 17650 1 539 . 1 1 43 43 ILE HG23 H 1 0.556 0.016 . 1 . . . . 43 ILE QG2 . 17650 1 540 . 1 1 43 43 ILE HD11 H 1 0.464 0.000 . 1 . . . . 43 ILE QD1 . 17650 1 541 . 1 1 43 43 ILE HD12 H 1 0.464 0.000 . 1 . . . . 43 ILE QD1 . 17650 1 542 . 1 1 43 43 ILE HD13 H 1 0.464 0.000 . 1 . . . . 43 ILE QD1 . 17650 1 543 . 1 1 43 43 ILE C C 13 174.906 0.006 . 1 . . . . 43 ILE C . 17650 1 544 . 1 1 43 43 ILE CA C 13 62.615 0.003 . 1 . . . . 43 ILE CA . 17650 1 545 . 1 1 43 43 ILE CB C 13 40.710 0.009 . 1 . . . . 43 ILE CB . 17650 1 546 . 1 1 43 43 ILE CG2 C 13 20.004 0.000 . 1 . . . . 43 ILE CG2 . 17650 1 547 . 1 1 43 43 ILE CD1 C 13 15.826 0.000 . 1 . . . . 43 ILE CD1 . 17650 1 548 . 1 1 43 43 ILE N N 15 118.955 0.057 . 1 . . . . 43 ILE N . 17650 1 549 . 1 1 44 44 ILE H H 1 8.876 0.016 . 1 . . . . 44 ILE H . 17650 1 550 . 1 1 44 44 ILE HA H 1 4.651 0.000 . 1 . . . . 44 ILE HA . 17650 1 551 . 1 1 44 44 ILE HB H 1 0.986 0.028 . 1 . . . . 44 ILE HB . 17650 1 552 . 1 1 44 44 ILE HG12 H 1 0.811 0.000 . 2 . . . . 44 ILE HG1 . 17650 1 553 . 1 1 44 44 ILE HG13 H 1 0.811 0.000 . 2 . . . . 44 ILE HG1 . 17650 1 554 . 1 1 44 44 ILE HG21 H 1 0.486 0.016 . 1 . . . . 44 ILE QG2 . 17650 1 555 . 1 1 44 44 ILE HG22 H 1 0.486 0.016 . 1 . . . . 44 ILE QG2 . 17650 1 556 . 1 1 44 44 ILE HG23 H 1 0.486 0.016 . 1 . . . . 44 ILE QG2 . 17650 1 557 . 1 1 44 44 ILE HD11 H 1 0.486 0.000 . 1 . . . . 44 ILE QD1 . 17650 1 558 . 1 1 44 44 ILE HD12 H 1 0.486 0.000 . 1 . . . . 44 ILE QD1 . 17650 1 559 . 1 1 44 44 ILE HD13 H 1 0.486 0.000 . 1 . . . . 44 ILE QD1 . 17650 1 560 . 1 1 44 44 ILE C C 13 175.433 0.007 . 1 . . . . 44 ILE C . 17650 1 561 . 1 1 44 44 ILE CA C 13 60.538 0.010 . 1 . . . . 44 ILE CA . 17650 1 562 . 1 1 44 44 ILE CB C 13 40.880 0.009 . 1 . . . . 44 ILE CB . 17650 1 563 . 1 1 44 44 ILE CG1 C 13 32.529 0.054 . 1 . . . . 44 ILE CG1 . 17650 1 564 . 1 1 44 44 ILE CG2 C 13 21.060 0.000 . 1 . . . . 44 ILE CG2 . 17650 1 565 . 1 1 44 44 ILE CD1 C 13 16.766 0.000 . 1 . . . . 44 ILE CD1 . 17650 1 566 . 1 1 44 44 ILE N N 15 126.804 0.066 . 1 . . . . 44 ILE N . 17650 1 567 . 1 1 45 45 LEU H H 1 9.302 0.014 . 1 . . . . 45 LEU H . 17650 1 568 . 1 1 45 45 LEU HA H 1 5.274 0.005 . 1 . . . . 45 LEU HA . 17650 1 569 . 1 1 45 45 LEU HB2 H 1 1.164 0.045 . 2 . . . . 45 LEU HB2 . 17650 1 570 . 1 1 45 45 LEU HB3 H 1 1.513 0.010 . 2 . . . . 45 LEU HB3 . 17650 1 571 . 1 1 45 45 LEU HG H 1 1.399 0.000 . 1 . . . . 45 LEU HG . 17650 1 572 . 1 1 45 45 LEU HD11 H 1 0.483 0.000 . 1 . . . . 45 LEU QD1 . 17650 1 573 . 1 1 45 45 LEU HD12 H 1 0.483 0.000 . 1 . . . . 45 LEU QD1 . 17650 1 574 . 1 1 45 45 LEU HD13 H 1 0.483 0.000 . 1 . . . . 45 LEU QD1 . 17650 1 575 . 1 1 45 45 LEU HD21 H 1 0.496 0.010 . 1 . . . . 45 LEU QD2 . 17650 1 576 . 1 1 45 45 LEU HD22 H 1 0.496 0.010 . 1 . . . . 45 LEU QD2 . 17650 1 577 . 1 1 45 45 LEU HD23 H 1 0.496 0.010 . 1 . . . . 45 LEU QD2 . 17650 1 578 . 1 1 45 45 LEU C C 13 176.826 0.008 . 1 . . . . 45 LEU C . 17650 1 579 . 1 1 45 45 LEU CA C 13 54.712 0.008 . 1 . . . . 45 LEU CA . 17650 1 580 . 1 1 45 45 LEU CB C 13 45.857 0.009 . 1 . . . . 45 LEU CB . 17650 1 581 . 1 1 45 45 LEU CG C 13 28.840 0.006 . 1 . . . . 45 LEU CG . 17650 1 582 . 1 1 45 45 LEU CD1 C 13 28.113 0.000 . 2 . . . . 45 LEU CD1 . 17650 1 583 . 1 1 45 45 LEU N N 15 123.431 0.072 . 1 . . . . 45 LEU N . 17650 1 584 . 1 1 46 46 LYS H H 1 8.505 0.014 . 1 . . . . 46 LYS H . 17650 1 585 . 1 1 46 46 LYS HA H 1 4.650 0.005 . 1 . . . . 46 LYS HA . 17650 1 586 . 1 1 46 46 LYS HB2 H 1 1.605 0.035 . 2 . . . . 46 LYS HB2 . 17650 1 587 . 1 1 46 46 LYS HB3 H 1 1.750 0.015 . 2 . . . . 46 LYS HB3 . 17650 1 588 . 1 1 46 46 LYS HG2 H 1 1.200 0.000 . 2 . . . . 46 LYS HG . 17650 1 589 . 1 1 46 46 LYS HG3 H 1 1.200 0.000 . 2 . . . . 46 LYS HG . 17650 1 590 . 1 1 46 46 LYS HD2 H 1 1.358 0.008 . 2 . . . . 46 LYS HD . 17650 1 591 . 1 1 46 46 LYS HD3 H 1 1.358 0.008 . 2 . . . . 46 LYS HD . 17650 1 592 . 1 1 46 46 LYS HE2 H 1 2.696 0.002 . 2 . . . . 46 LYS HE . 17650 1 593 . 1 1 46 46 LYS HE3 H 1 2.696 0.002 . 2 . . . . 46 LYS HE . 17650 1 594 . 1 1 46 46 LYS C C 13 176.351 0.020 . 1 . . . . 46 LYS C . 17650 1 595 . 1 1 46 46 LYS CA C 13 55.798 0.003 . 1 . . . . 46 LYS CA . 17650 1 596 . 1 1 46 46 LYS CB C 13 38.285 0.009 . 1 . . . . 46 LYS CB . 17650 1 597 . 1 1 46 46 LYS CG C 13 26.150 0.010 . 1 . . . . 46 LYS CG . 17650 1 598 . 1 1 46 46 LYS CD C 13 31.600 0.008 . 1 . . . . 46 LYS CD . 17650 1 599 . 1 1 46 46 LYS CE C 13 43.473 0.000 . 1 . . . . 46 LYS CE . 17650 1 600 . 1 1 46 46 LYS N N 15 117.715 0.064 . 1 . . . . 46 LYS N . 17650 1 601 . 1 1 47 47 LYS H H 1 9.120 0.011 . 1 . . . . 47 LYS H . 17650 1 602 . 1 1 47 47 LYS HA H 1 4.052 0.002 . 1 . . . . 47 LYS HA . 17650 1 603 . 1 1 47 47 LYS HB2 H 1 1.459 0.013 . 2 . . . . 47 LYS HB2 . 17650 1 604 . 1 1 47 47 LYS HB3 H 1 1.684 0.009 . 2 . . . . 47 LYS HB3 . 17650 1 605 . 1 1 47 47 LYS HG2 H 1 1.361 0.000 . 2 . . . . 47 LYS HG2 . 17650 1 606 . 1 1 47 47 LYS HG3 H 1 1.506 0.000 . 2 . . . . 47 LYS HG3 . 17650 1 607 . 1 1 47 47 LYS HD2 H 1 1.155 0.008 . 2 . . . . 47 LYS HD . 17650 1 608 . 1 1 47 47 LYS HD3 H 1 1.155 0.008 . 2 . . . . 47 LYS HD . 17650 1 609 . 1 1 47 47 LYS HE2 H 1 2.804 0.002 . 2 . . . . 47 LYS HE . 17650 1 610 . 1 1 47 47 LYS HE3 H 1 2.804 0.002 . 2 . . . . 47 LYS HE . 17650 1 611 . 1 1 47 47 LYS C C 13 177.420 0.010 . 1 . . . . 47 LYS C . 17650 1 612 . 1 1 47 47 LYS CA C 13 60.518 0.003 . 1 . . . . 47 LYS CA . 17650 1 613 . 1 1 47 47 LYS CB C 13 33.916 0.035 . 1 . . . . 47 LYS CB . 17650 1 614 . 1 1 47 47 LYS CD C 13 31.517 0.008 . 1 . . . . 47 LYS CD . 17650 1 615 . 1 1 47 47 LYS CE C 13 43.962 0.045 . 1 . . . . 47 LYS CE . 17650 1 616 . 1 1 47 47 LYS N N 15 122.737 0.052 . 1 . . . . 47 LYS N . 17650 1 617 . 1 1 48 48 TYR H H 1 8.473 0.014 . 1 . . . . 48 TYR H . 17650 1 618 . 1 1 48 48 TYR HA H 1 4.437 0.004 . 1 . . . . 48 TYR HA . 17650 1 619 . 1 1 48 48 TYR HB2 H 1 2.551 0.005 . 2 . . . . 48 TYR HB . 17650 1 620 . 1 1 48 48 TYR HB3 H 1 2.551 0.005 . 2 . . . . 48 TYR HB . 17650 1 621 . 1 1 48 48 TYR HD1 H 1 6.905 0.001 . 3 . . . . 48 TYR HD . 17650 1 622 . 1 1 48 48 TYR HD2 H 1 6.905 0.001 . 3 . . . . 48 TYR HD . 17650 1 623 . 1 1 48 48 TYR HE1 H 1 6.616 0.001 . 3 . . . . 48 TYR HE . 17650 1 624 . 1 1 48 48 TYR HE2 H 1 6.616 0.001 . 3 . . . . 48 TYR HE . 17650 1 625 . 1 1 48 48 TYR C C 13 175.356 0.012 . 1 . . . . 48 TYR C . 17650 1 626 . 1 1 48 48 TYR CA C 13 58.984 0.003 . 1 . . . . 48 TYR CA . 17650 1 627 . 1 1 48 48 TYR CB C 13 40.865 0.055 . 1 . . . . 48 TYR CB . 17650 1 628 . 1 1 48 48 TYR CD1 C 13 132.635 0.008 . 3 . . . . 48 TYR CD1 . 17650 1 629 . 1 1 48 48 TYR CE1 C 13 117.885 0.054 . 3 . . . . 48 TYR CE1 . 17650 1 630 . 1 1 48 48 TYR N N 15 126.090 0.042 . 1 . . . . 48 TYR N . 17650 1 631 . 1 1 49 49 LYS H H 1 7.951 0.010 . 1 . . . . 49 LYS H . 17650 1 632 . 1 1 49 49 LYS HA H 1 4.304 0.002 . 1 . . . . 49 LYS HA . 17650 1 633 . 1 1 49 49 LYS HB2 H 1 1.361 0.006 . 2 . . . . 49 LYS HB2 . 17650 1 634 . 1 1 49 49 LYS HB3 H 1 1.485 0.045 . 2 . . . . 49 LYS HB3 . 17650 1 635 . 1 1 49 49 LYS HG2 H 1 1.469 0.007 . 2 . . . . 49 LYS HG . 17650 1 636 . 1 1 49 49 LYS HG3 H 1 1.469 0.007 . 2 . . . . 49 LYS HG . 17650 1 637 . 1 1 49 49 LYS HD2 H 1 1.111 0.012 . 2 . . . . 49 LYS HD . 17650 1 638 . 1 1 49 49 LYS HD3 H 1 1.111 0.012 . 2 . . . . 49 LYS HD . 17650 1 639 . 1 1 49 49 LYS HE2 H 1 2.778 0.002 . 2 . . . . 49 LYS HE . 17650 1 640 . 1 1 49 49 LYS HE3 H 1 2.778 0.002 . 2 . . . . 49 LYS HE . 17650 1 641 . 1 1 49 49 LYS C C 13 173.863 0.008 . 1 . . . . 49 LYS C . 17650 1 642 . 1 1 49 49 LYS CA C 13 54.516 0.052 . 1 . . . . 49 LYS CA . 17650 1 643 . 1 1 49 49 LYS CB C 13 34.702 0.059 . 1 . . . . 49 LYS CB . 17650 1 644 . 1 1 49 49 LYS CG C 13 30.642 0.021 . 1 . . . . 49 LYS CG . 17650 1 645 . 1 1 49 49 LYS CD C 13 25.791 0.013 . 1 . . . . 49 LYS CD . 17650 1 646 . 1 1 49 49 LYS N N 15 128.158 0.038 . 1 . . . . 49 LYS N . 17650 1 647 . 1 1 50 50 PRO HA H 1 3.950 0.001 . 1 . . . . 50 PRO HA . 17650 1 648 . 1 1 50 50 PRO HB2 H 1 1.680 0.013 . 2 . . . . 50 PRO HB2 . 17650 1 649 . 1 1 50 50 PRO HB3 H 1 1.984 0.009 . 2 . . . . 50 PRO HB3 . 17650 1 650 . 1 1 50 50 PRO HG2 H 1 1.677 0.000 . 2 . . . . 50 PRO HG . 17650 1 651 . 1 1 50 50 PRO HG3 H 1 1.677 0.000 . 2 . . . . 50 PRO HG . 17650 1 652 . 1 1 50 50 PRO HD2 H 1 2.841 0.010 . 2 . . . . 50 PRO HD2 . 17650 1 653 . 1 1 50 50 PRO HD3 H 1 3.266 0.000 . 2 . . . . 50 PRO HD3 . 17650 1 654 . 1 1 50 50 PRO C C 13 177.493 0.008 . 1 . . . . 50 PRO C . 17650 1 655 . 1 1 50 50 PRO CA C 13 64.065 0.003 . 1 . . . . 50 PRO CA . 17650 1 656 . 1 1 50 50 PRO CB C 13 33.518 0.006 . 1 . . . . 50 PRO CB . 17650 1 657 . 1 1 50 50 PRO CG C 13 28.776 0.010 . 1 . . . . 50 PRO CG . 17650 1 658 . 1 1 50 50 PRO CD C 13 52.024 0.054 . 1 . . . . 50 PRO CD . 17650 1 659 . 1 1 51 51 ASN H H 1 8.259 0.010 . 1 . . . . 51 ASN H . 17650 1 660 . 1 1 51 51 ASN HA H 1 4.441 0.002 . 1 . . . . 51 ASN HA . 17650 1 661 . 1 1 51 51 ASN HB2 H 1 2.618 0.006 . 2 . . . . 51 ASN HB . 17650 1 662 . 1 1 51 51 ASN HB3 H 1 2.618 0.006 . 2 . . . . 51 ASN HB . 17650 1 663 . 1 1 51 51 ASN C C 13 176.411 0.010 . 1 . . . . 51 ASN C . 17650 1 664 . 1 1 51 51 ASN CA C 13 54.430 0.003 . 1 . . . . 51 ASN CA . 17650 1 665 . 1 1 51 51 ASN CB C 13 40.344 0.010 . 1 . . . . 51 ASN CB . 17650 1 666 . 1 1 51 51 ASN N N 15 117.119 0.050 . 1 . . . . 51 ASN N . 17650 1 667 . 1 1 52 52 MET H H 1 8.165 0.009 . 1 . . . . 52 MET H . 17650 1 668 . 1 1 52 52 MET HA H 1 4.361 0.004 . 1 . . . . 52 MET HA . 17650 1 669 . 1 1 52 52 MET HB2 H 1 1.831 0.013 . 2 . . . . 52 MET HB2 . 17650 1 670 . 1 1 52 52 MET HB3 H 1 1.941 0.009 . 2 . . . . 52 MET HB3 . 17650 1 671 . 1 1 52 52 MET HG2 H 1 2.346 0.045 . 2 . . . . 52 MET HG . 17650 1 672 . 1 1 52 52 MET HG3 H 1 2.346 0.045 . 2 . . . . 52 MET HG . 17650 1 673 . 1 1 52 52 MET CA C 13 57.337 0.087 . 1 . . . . 52 MET CA . 17650 1 674 . 1 1 52 52 MET CB C 13 33.896 0.033 . 1 . . . . 52 MET CB . 17650 1 675 . 1 1 52 52 MET CG C 13 33.889 0.006 . 1 . . . . 52 MET CG . 17650 1 676 . 1 1 52 52 MET N N 15 119.410 0.055 . 1 . . . . 52 MET N . 17650 1 677 . 1 1 53 53 THR H H 1 8.040 0.007 . 1 . . . . 53 THR H . 17650 1 678 . 1 1 53 53 THR HA H 1 4.156 0.000 . 1 . . . . 53 THR HA . 17650 1 679 . 1 1 53 53 THR HB H 1 4.059 0.045 . 1 . . . . 53 THR HB . 17650 1 680 . 1 1 53 53 THR HG21 H 1 1.004 0.000 . 2 . . . . 53 THR HG2 . 17650 1 681 . 1 1 53 53 THR HG22 H 1 1.004 0.000 . 2 . . . . 53 THR HG2 . 17650 1 682 . 1 1 53 53 THR HG23 H 1 1.004 0.000 . 2 . . . . 53 THR HG2 . 17650 1 683 . 1 1 53 53 THR CA C 13 63.675 0.003 . 1 . . . . 53 THR CA . 17650 1 684 . 1 1 53 53 THR CB C 13 71.362 0.009 . 1 . . . . 53 THR CB . 17650 1 685 . 1 1 53 53 THR CG2 C 13 23.620 0.000 . 1 . . . . 53 THR CG2 . 17650 1 686 . 1 1 53 53 THR N N 15 113.289 0.038 . 1 . . . . 53 THR N . 17650 1 687 . 1 1 54 54 CYS H H 1 8.126 0.004 . 1 . . . . 54 CYS H . 17650 1 688 . 1 1 54 54 CYS HA H 1 4.340 0.002 . 1 . . . . 54 CYS HA . 17650 1 689 . 1 1 54 54 CYS HB2 H 1 2.740 0.006 . 2 . . . . 54 CYS HB . 17650 1 690 . 1 1 54 54 CYS HB3 H 1 2.740 0.006 . 2 . . . . 54 CYS HB . 17650 1 691 . 1 1 54 54 CYS C C 13 175.375 0.005 . 1 . . . . 54 CYS C . 17650 1 692 . 1 1 54 54 CYS CA C 13 60.547 0.003 . 1 . . . . 54 CYS CA . 17650 1 693 . 1 1 54 54 CYS CB C 13 29.932 0.009 . 1 . . . . 54 CYS CB . 17650 1 694 . 1 1 54 54 CYS N N 15 119.670 0.049 . 1 . . . . 54 CYS N . 17650 1 695 . 1 1 55 55 GLN H H 1 8.280 0.012 . 1 . . . . 55 GLN H . 17650 1 696 . 1 1 55 55 GLN HA H 1 4.239 0.000 . 1 . . . . 55 GLN HA . 17650 1 697 . 1 1 55 55 GLN HB2 H 1 1.855 0.045 . 2 . . . . 55 GLN HB . 17650 1 698 . 1 1 55 55 GLN HB3 H 1 1.855 0.045 . 2 . . . . 55 GLN HB . 17650 1 699 . 1 1 55 55 GLN HG2 H 1 2.171 0.000 . 2 . . . . 55 GLN HG . 17650 1 700 . 1 1 55 55 GLN HG3 H 1 2.171 0.000 . 2 . . . . 55 GLN HG . 17650 1 701 . 1 1 55 55 GLN C C 13 176.970 0.015 . 1 . . . . 55 GLN C . 17650 1 702 . 1 1 55 55 GLN CA C 13 57.672 0.003 . 1 . . . . 55 GLN CA . 17650 1 703 . 1 1 55 55 GLN CB C 13 31.152 0.009 . 1 . . . . 55 GLN CB . 17650 1 704 . 1 1 55 55 GLN CG C 13 35.712 0.054 . 1 . . . . 55 GLN CG . 17650 1 705 . 1 1 55 55 GLN N N 15 121.546 0.076 . 1 . . . . 55 GLN N . 17650 1 706 . 1 1 56 56 VAL H H 1 8.076 0.006 . 1 . . . . 56 VAL H . 17650 1 707 . 1 1 56 56 VAL HA H 1 4.022 0.001 . 1 . . . . 56 VAL HA . 17650 1 708 . 1 1 56 56 VAL HB H 1 1.912 0.008 . 1 . . . . 56 VAL HB . 17650 1 709 . 1 1 56 56 VAL HG11 H 1 0.731 0.021 . 1 . . . . 56 VAL QG1 . 17650 1 710 . 1 1 56 56 VAL HG12 H 1 0.731 0.021 . 1 . . . . 56 VAL QG1 . 17650 1 711 . 1 1 56 56 VAL HG13 H 1 0.731 0.021 . 1 . . . . 56 VAL QG1 . 17650 1 712 . 1 1 56 56 VAL HG21 H 1 0.724 0.016 . 1 . . . . 56 VAL QG2 . 17650 1 713 . 1 1 56 56 VAL HG22 H 1 0.724 0.016 . 1 . . . . 56 VAL QG2 . 17650 1 714 . 1 1 56 56 VAL HG23 H 1 0.724 0.016 . 1 . . . . 56 VAL QG2 . 17650 1 715 . 1 1 56 56 VAL C C 13 177.414 0.006 . 1 . . . . 56 VAL C . 17650 1 716 . 1 1 56 56 VAL CA C 13 63.743 0.003 . 1 . . . . 56 VAL CA . 17650 1 717 . 1 1 56 56 VAL CB C 13 34.264 0.417 . 1 . . . . 56 VAL CB . 17650 1 718 . 1 1 56 56 VAL CG1 C 13 22.953 0.008 . 2 . . . . 56 VAL CG1 . 17650 1 719 . 1 1 56 56 VAL N N 15 120.131 0.049 . 1 . . . . 56 VAL N . 17650 1 720 . 1 1 57 57 THR H H 1 8.037 0.009 . 1 . . . . 57 THR H . 17650 1 721 . 1 1 57 57 THR HA H 1 4.059 0.011 . 1 . . . . 57 THR HA . 17650 1 722 . 1 1 57 57 THR HB H 1 4.181 0.008 . 1 . . . . 57 THR HB . 17650 1 723 . 1 1 57 57 THR HG21 H 1 1.000 0.000 . 2 . . . . 57 THR HG2 . 17650 1 724 . 1 1 57 57 THR HG22 H 1 1.000 0.000 . 2 . . . . 57 THR HG2 . 17650 1 725 . 1 1 57 57 THR HG23 H 1 1.000 0.000 . 2 . . . . 57 THR HG2 . 17650 1 726 . 1 1 57 57 THR C C 13 176.070 0.002 . 1 . . . . 57 THR C . 17650 1 727 . 1 1 57 57 THR CA C 13 63.413 0.094 . 1 . . . . 57 THR CA . 17650 1 728 . 1 1 57 57 THR CB C 13 71.131 0.009 . 1 . . . . 57 THR CB . 17650 1 729 . 1 1 57 57 THR CG2 C 13 23.520 0.000 . 1 . . . . 57 THR CG2 . 17650 1 730 . 1 1 57 57 THR N N 15 115.804 0.034 . 1 . . . . 57 THR N . 17650 1 731 . 1 1 58 58 GLY H H 1 8.174 0.010 . 1 . . . . 58 GLY H . 17650 1 732 . 1 1 58 58 GLY HA2 H 1 3.791 0.000 . 2 . . . . 58 GLY HA . 17650 1 733 . 1 1 58 58 GLY HA3 H 1 3.791 0.000 . 2 . . . . 58 GLY HA . 17650 1 734 . 1 1 58 58 GLY C C 13 174.936 0.005 . 1 . . . . 58 GLY C . 17650 1 735 . 1 1 58 58 GLY CA C 13 47.026 0.003 . 1 . . . . 58 GLY CA . 17650 1 736 . 1 1 58 58 GLY N N 15 109.696 0.034 . 1 . . . . 58 GLY N . 17650 1 737 . 1 1 59 59 GLU H H 1 8.075 0.016 . 1 . . . . 59 GLU H . 17650 1 738 . 1 1 59 59 GLU HA H 1 4.154 0.000 . 1 . . . . 59 GLU HA . 17650 1 739 . 1 1 59 59 GLU HB2 H 1 1.829 0.003 . 2 . . . . 59 GLU HB . 17650 1 740 . 1 1 59 59 GLU HB3 H 1 1.829 0.003 . 2 . . . . 59 GLU HB . 17650 1 741 . 1 1 59 59 GLU HG2 H 1 2.043 0.000 . 2 . . . . 59 GLU HG . 17650 1 742 . 1 1 59 59 GLU HG3 H 1 2.043 0.000 . 2 . . . . 59 GLU HG . 17650 1 743 . 1 1 59 59 GLU C C 13 177.654 0.008 . 1 . . . . 59 GLU C . 17650 1 744 . 1 1 59 59 GLU CA C 13 58.037 0.003 . 1 . . . . 59 GLU CA . 17650 1 745 . 1 1 59 59 GLU CB C 13 31.396 0.009 . 1 . . . . 59 GLU CB . 17650 1 746 . 1 1 59 59 GLU CG C 13 38.050 0.054 . 1 . . . . 59 GLU CG . 17650 1 747 . 1 1 59 59 GLU N N 15 119.357 0.065 . 1 . . . . 59 GLU N . 17650 1 748 . 1 1 60 60 VAL H H 1 8.082 0.009 . 1 . . . . 60 VAL H . 17650 1 749 . 1 1 60 60 VAL HA H 1 3.999 0.011 . 1 . . . . 60 VAL HA . 17650 1 750 . 1 1 60 60 VAL HB H 1 1.893 0.008 . 1 . . . . 60 VAL HB . 17650 1 751 . 1 1 60 60 VAL HG11 H 1 0.711 0.021 . 1 . . . . 60 VAL QG1 . 17650 1 752 . 1 1 60 60 VAL HG12 H 1 0.711 0.021 . 1 . . . . 60 VAL QG1 . 17650 1 753 . 1 1 60 60 VAL HG13 H 1 0.711 0.021 . 1 . . . . 60 VAL QG1 . 17650 1 754 . 1 1 60 60 VAL HG21 H 1 0.718 0.016 . 1 . . . . 60 VAL QG2 . 17650 1 755 . 1 1 60 60 VAL HG22 H 1 0.718 0.016 . 1 . . . . 60 VAL QG2 . 17650 1 756 . 1 1 60 60 VAL HG23 H 1 0.718 0.016 . 1 . . . . 60 VAL QG2 . 17650 1 757 . 1 1 60 60 VAL C C 13 177.306 0.011 . 1 . . . . 60 VAL C . 17650 1 758 . 1 1 60 60 VAL CA C 13 63.714 0.003 . 1 . . . . 60 VAL CA . 17650 1 759 . 1 1 60 60 VAL CB C 13 34.307 0.407 . 1 . . . . 60 VAL CB . 17650 1 760 . 1 1 60 60 VAL CG1 C 13 22.464 0.000 . 2 . . . . 60 VAL CG1 . 17650 1 761 . 1 1 60 60 VAL CG2 C 13 23.361 0.000 . 2 . . . . 60 VAL CG2 . 17650 1 762 . 1 1 60 60 VAL N N 15 119.766 0.074 . 1 . . . . 60 VAL N . 17650 1 763 . 1 1 61 61 SER H H 1 8.229 0.009 . 1 . . . . 61 SER H . 17650 1 764 . 1 1 61 61 SER HA H 1 4.302 0.004 . 1 . . . . 61 SER HA . 17650 1 765 . 1 1 61 61 SER HB2 H 1 3.665 0.003 . 2 . . . . 61 SER HB . 17650 1 766 . 1 1 61 61 SER HB3 H 1 3.665 0.003 . 2 . . . . 61 SER HB . 17650 1 767 . 1 1 61 61 SER C C 13 175.452 0.006 . 1 . . . . 61 SER C . 17650 1 768 . 1 1 61 61 SER CA C 13 59.696 0.024 . 1 . . . . 61 SER CA . 17650 1 769 . 1 1 61 61 SER CB C 13 65.582 0.010 . 1 . . . . 61 SER CB . 17650 1 770 . 1 1 61 61 SER N N 15 118.038 0.032 . 1 . . . . 61 SER N . 17650 1 771 . 1 1 62 62 ASP H H 1 8.160 0.011 . 1 . . . . 62 ASP H . 17650 1 772 . 1 1 62 62 ASP HA H 1 4.412 0.010 . 1 . . . . 62 ASP HA . 17650 1 773 . 1 1 62 62 ASP HB2 H 1 2.513 0.006 . 2 . . . . 62 ASP HB . 17650 1 774 . 1 1 62 62 ASP HB3 H 1 2.513 0.006 . 2 . . . . 62 ASP HB . 17650 1 775 . 1 1 62 62 ASP C C 13 177.957 0.014 . 1 . . . . 62 ASP C . 17650 1 776 . 1 1 62 62 ASP CA C 13 56.221 0.003 . 1 . . . . 62 ASP CA . 17650 1 777 . 1 1 62 62 ASP CB C 13 42.590 0.246 . 1 . . . . 62 ASP CB . 17650 1 778 . 1 1 62 62 ASP N N 15 121.209 0.027 . 1 . . . . 62 ASP N . 17650 1 779 . 1 1 63 63 GLY H H 1 8.196 0.012 . 1 . . . . 63 GLY H . 17650 1 780 . 1 1 63 63 GLY HA2 H 1 3.729 0.001 . 2 . . . . 63 GLY HA . 17650 1 781 . 1 1 63 63 GLY HA3 H 1 3.729 0.001 . 2 . . . . 63 GLY HA . 17650 1 782 . 1 1 63 63 GLY C C 13 175.349 0.014 . 1 . . . . 63 GLY C . 17650 1 783 . 1 1 63 63 GLY CA C 13 47.499 0.003 . 1 . . . . 63 GLY CA . 17650 1 784 . 1 1 63 63 GLY N N 15 107.591 0.024 . 1 . . . . 63 GLY N . 17650 1 785 . 1 1 64 64 ASN H H 1 8.109 0.014 . 1 . . . . 64 ASN H . 17650 1 786 . 1 1 64 64 ASN HA H 1 4.488 0.001 . 1 . . . . 64 ASN HA . 17650 1 787 . 1 1 64 64 ASN HB2 H 1 2.557 0.002 . 2 . . . . 64 ASN HB . 17650 1 788 . 1 1 64 64 ASN HB3 H 1 2.557 0.002 . 2 . . . . 64 ASN HB . 17650 1 789 . 1 1 64 64 ASN C C 13 176.375 0.017 . 1 . . . . 64 ASN C . 17650 1 790 . 1 1 64 64 ASN CA C 13 55.128 0.003 . 1 . . . . 64 ASN CA . 17650 1 791 . 1 1 64 64 ASN CB C 13 40.481 0.009 . 1 . . . . 64 ASN CB . 17650 1 792 . 1 1 64 64 ASN N N 15 117.170 0.047 . 1 . . . . 64 ASN N . 17650 1 793 . 1 1 65 65 LEU H H 1 7.893 0.014 . 1 . . . . 65 LEU H . 17650 1 794 . 1 1 65 65 LEU HA H 1 4.077 0.010 . 1 . . . . 65 LEU HA . 17650 1 795 . 1 1 65 65 LEU HB2 H 1 1.297 0.016 . 2 . . . . 65 LEU HB . 17650 1 796 . 1 1 65 65 LEU HB3 H 1 1.297 0.016 . 2 . . . . 65 LEU HB . 17650 1 797 . 1 1 65 65 LEU HG H 1 1.279 0.000 . 1 . . . . 65 LEU HG . 17650 1 798 . 1 1 65 65 LEU HD11 H 1 0.631 0.043 . 1 . . . . 65 LEU QD1 . 17650 1 799 . 1 1 65 65 LEU HD12 H 1 0.631 0.043 . 1 . . . . 65 LEU QD1 . 17650 1 800 . 1 1 65 65 LEU HD13 H 1 0.631 0.043 . 1 . . . . 65 LEU QD1 . 17650 1 801 . 1 1 65 65 LEU HD21 H 1 0.665 0.000 . 1 . . . . 65 LEU QD2 . 17650 1 802 . 1 1 65 65 LEU HD22 H 1 0.665 0.000 . 1 . . . . 65 LEU QD2 . 17650 1 803 . 1 1 65 65 LEU HD23 H 1 0.665 0.000 . 1 . . . . 65 LEU QD2 . 17650 1 804 . 1 1 65 65 LEU C C 13 178.030 0.005 . 1 . . . . 65 LEU C . 17650 1 805 . 1 1 65 65 LEU CA C 13 57.247 0.003 . 1 . . . . 65 LEU CA . 17650 1 806 . 1 1 65 65 LEU CB C 13 43.989 0.009 . 1 . . . . 65 LEU CB . 17650 1 807 . 1 1 65 65 LEU CG C 13 28.749 0.054 . 1 . . . . 65 LEU CG . 17650 1 808 . 1 1 65 65 LEU CD1 C 13 25.586 0.000 . 2 . . . . 65 LEU CD1 . 17650 1 809 . 1 1 65 65 LEU CD2 C 13 26.881 0.000 . 2 . . . . 65 LEU CD2 . 17650 1 810 . 1 1 65 65 LEU N N 15 120.683 0.038 . 1 . . . . 65 LEU N . 17650 1 811 . 1 1 66 66 PHE H H 1 7.990 0.014 . 1 . . . . 66 PHE H . 17650 1 812 . 1 1 66 66 PHE HA H 1 4.434 0.012 . 1 . . . . 66 PHE HA . 17650 1 813 . 1 1 66 66 PHE HB2 H 1 2.832 0.023 . 2 . . . . 66 PHE HB2 . 17650 1 814 . 1 1 66 66 PHE HB3 H 1 2.933 0.011 . 2 . . . . 66 PHE HB3 . 17650 1 815 . 1 1 66 66 PHE HD1 H 1 7.103 0.009 . 3 . . . . 66 PHE HD . 17650 1 816 . 1 1 66 66 PHE HD2 H 1 7.103 0.009 . 3 . . . . 66 PHE HD . 17650 1 817 . 1 1 66 66 PHE HE1 H 1 7.181 0.010 . 3 . . . . 66 PHE HE . 17650 1 818 . 1 1 66 66 PHE HE2 H 1 7.181 0.010 . 3 . . . . 66 PHE HE . 17650 1 819 . 1 1 66 66 PHE HZ H 1 7.149 0.006 . 1 . . . . 66 PHE HZ . 17650 1 820 . 1 1 66 66 PHE C C 13 176.619 0.011 . 1 . . . . 66 PHE C . 17650 1 821 . 1 1 66 66 PHE CA C 13 59.441 0.003 . 1 . . . . 66 PHE CA . 17650 1 822 . 1 1 66 66 PHE CB C 13 41.009 0.009 . 1 . . . . 66 PHE CB . 17650 1 823 . 1 1 66 66 PHE CD1 C 13 131.376 0.008 . 3 . . . . 66 PHE CD1 . 17650 1 824 . 1 1 66 66 PHE CE1 C 13 131.079 0.000 . 3 . . . . 66 PHE CE1 . 17650 1 825 . 1 1 66 66 PHE CZ C 13 129.354 0.000 . 1 . . . . 66 PHE CZ . 17650 1 826 . 1 1 66 66 PHE N N 15 118.715 0.052 . 1 . . . . 66 PHE N . 17650 1 827 . 1 1 67 67 LEU H H 1 7.805 0.015 . 1 . . . . 67 LEU H . 17650 1 828 . 1 1 67 67 LEU HA H 1 4.152 0.002 . 1 . . . . 67 LEU HA . 17650 1 829 . 1 1 67 67 LEU HB2 H 1 1.375 0.003 . 2 . . . . 67 LEU HB . 17650 1 830 . 1 1 67 67 LEU HB3 H 1 1.375 0.003 . 2 . . . . 67 LEU HB . 17650 1 831 . 1 1 67 67 LEU HG H 1 1.346 0.000 . 1 . . . . 67 LEU HG . 17650 1 832 . 1 1 67 67 LEU HD11 H 1 0.626 0.000 . 1 . . . . 67 LEU QD1 . 17650 1 833 . 1 1 67 67 LEU HD12 H 1 0.626 0.000 . 1 . . . . 67 LEU QD1 . 17650 1 834 . 1 1 67 67 LEU HD13 H 1 0.626 0.000 . 1 . . . . 67 LEU QD1 . 17650 1 835 . 1 1 67 67 LEU HD21 H 1 0.692 0.000 . 1 . . . . 67 LEU QD2 . 17650 1 836 . 1 1 67 67 LEU HD22 H 1 0.692 0.000 . 1 . . . . 67 LEU QD2 . 17650 1 837 . 1 1 67 67 LEU HD23 H 1 0.692 0.000 . 1 . . . . 67 LEU QD2 . 17650 1 838 . 1 1 67 67 LEU C C 13 177.970 0.011 . 1 . . . . 67 LEU C . 17650 1 839 . 1 1 67 67 LEU CA C 13 56.553 0.065 . 1 . . . . 67 LEU CA . 17650 1 840 . 1 1 67 67 LEU CB C 13 44.362 0.009 . 1 . . . . 67 LEU CB . 17650 1 841 . 1 1 67 67 LEU CG C 13 28.760 0.006 . 1 . . . . 67 LEU CG . 17650 1 842 . 1 1 67 67 LEU CD1 C 13 25.857 0.000 . 2 . . . . 67 LEU CD1 . 17650 1 843 . 1 1 67 67 LEU CD2 C 13 26.745 0.000 . 2 . . . . 67 LEU CD2 . 17650 1 844 . 1 1 67 67 LEU N N 15 121.812 0.031 . 1 . . . . 67 LEU N . 17650 1 845 . 1 1 68 68 ALA H H 1 8.011 0.012 . 1 . . . . 68 ALA H . 17650 1 846 . 1 1 68 68 ALA HA H 1 4.085 0.000 . 1 . . . . 68 ALA HA . 17650 1 847 . 1 1 68 68 ALA HB1 H 1 1.196 0.010 . 1 . . . . 68 ALA QB . 17650 1 848 . 1 1 68 68 ALA HB2 H 1 1.196 0.010 . 1 . . . . 68 ALA QB . 17650 1 849 . 1 1 68 68 ALA HB3 H 1 1.196 0.010 . 1 . . . . 68 ALA QB . 17650 1 850 . 1 1 68 68 ALA C C 13 178.787 0.007 . 1 . . . . 68 ALA C . 17650 1 851 . 1 1 68 68 ALA CA C 13 55.094 0.003 . 1 . . . . 68 ALA CA . 17650 1 852 . 1 1 68 68 ALA CB C 13 21.225 0.009 . 1 . . . . 68 ALA CB . 17650 1 853 . 1 1 68 68 ALA N N 15 123.262 0.022 . 1 . . . . 68 ALA N . 17650 1 854 . 1 1 69 69 GLU H H 1 8.197 0.013 . 1 . . . . 69 GLU H . 17650 1 855 . 1 1 69 69 GLU HA H 1 4.018 0.001 . 1 . . . . 69 GLU HA . 17650 1 856 . 1 1 69 69 GLU HB2 H 1 1.846 0.003 . 2 . . . . 69 GLU HB . 17650 1 857 . 1 1 69 69 GLU HB3 H 1 1.846 0.003 . 2 . . . . 69 GLU HB . 17650 1 858 . 1 1 69 69 GLU HG2 H 1 2.062 0.000 . 2 . . . . 69 GLU HG . 17650 1 859 . 1 1 69 69 GLU HG3 H 1 2.062 0.000 . 2 . . . . 69 GLU HG . 17650 1 860 . 1 1 69 69 GLU C C 13 178.111 0.019 . 1 . . . . 69 GLU C . 17650 1 861 . 1 1 69 69 GLU CA C 13 58.638 0.010 . 1 . . . . 69 GLU CA . 17650 1 862 . 1 1 69 69 GLU CB C 13 31.462 0.009 . 1 . . . . 69 GLU CB . 17650 1 863 . 1 1 69 69 GLU CG C 13 38.180 0.006 . 1 . . . . 69 GLU CG . 17650 1 864 . 1 1 69 69 GLU N N 15 118.105 0.015 . 1 . . . . 69 GLU N . 17650 1 865 . 1 1 70 70 GLY H H 1 8.164 0.010 . 1 . . . . 70 GLY H . 17650 1 866 . 1 1 70 70 GLY HA2 H 1 3.728 0.001 . 2 . . . . 70 GLY HA . 17650 1 867 . 1 1 70 70 GLY HA3 H 1 3.728 0.001 . 2 . . . . 70 GLY HA . 17650 1 868 . 1 1 70 70 GLY C C 13 175.024 0.026 . 1 . . . . 70 GLY C . 17650 1 869 . 1 1 70 70 GLY CA C 13 47.295 0.003 . 1 . . . . 70 GLY CA . 17650 1 870 . 1 1 70 70 GLY N N 15 107.848 0.028 . 1 . . . . 70 GLY N . 17650 1 871 . 1 1 71 71 LYS H H 1 7.813 0.013 . 1 . . . . 71 LYS H . 17650 1 872 . 1 1 71 71 LYS HA H 1 4.154 0.005 . 1 . . . . 71 LYS HA . 17650 1 873 . 1 1 71 71 LYS HB2 H 1 1.582 0.005 . 2 . . . . 71 LYS HB . 17650 1 874 . 1 1 71 71 LYS HB3 H 1 1.582 0.005 . 2 . . . . 71 LYS HB . 17650 1 875 . 1 1 71 71 LYS HG2 H 1 1.467 0.000 . 2 . . . . 71 LYS HG . 17650 1 876 . 1 1 71 71 LYS HG3 H 1 1.467 0.000 . 2 . . . . 71 LYS HG . 17650 1 877 . 1 1 71 71 LYS HD2 H 1 1.173 0.008 . 2 . . . . 71 LYS HD . 17650 1 878 . 1 1 71 71 LYS HD3 H 1 1.173 0.008 . 2 . . . . 71 LYS HD . 17650 1 879 . 1 1 71 71 LYS HE2 H 1 2.767 0.002 . 2 . . . . 71 LYS HE . 17650 1 880 . 1 1 71 71 LYS HE3 H 1 2.767 0.002 . 2 . . . . 71 LYS HE . 17650 1 881 . 1 1 71 71 LYS C C 13 177.139 0.037 . 1 . . . . 71 LYS C . 17650 1 882 . 1 1 71 71 LYS CA C 13 57.709 0.003 . 1 . . . . 71 LYS CA . 17650 1 883 . 1 1 71 71 LYS CB C 13 34.849 0.009 . 1 . . . . 71 LYS CB . 17650 1 884 . 1 1 71 71 LYS CG C 13 26.685 0.006 . 1 . . . . 71 LYS CG . 17650 1 885 . 1 1 71 71 LYS CD C 13 30.851 0.008 . 1 . . . . 71 LYS CD . 17650 1 886 . 1 1 71 71 LYS CE C 13 43.993 0.000 . 1 . . . . 71 LYS CE . 17650 1 887 . 1 1 71 71 LYS N N 15 119.006 0.027 . 1 . . . . 71 LYS N . 17650 1 888 . 1 1 72 72 ILE H H 1 7.947 0.010 . 1 . . . . 72 ILE H . 17650 1 889 . 1 1 72 72 ILE HA H 1 3.994 0.000 . 1 . . . . 72 ILE HA . 17650 1 890 . 1 1 72 72 ILE HB H 1 1.605 0.008 . 1 . . . . 72 ILE HB . 17650 1 891 . 1 1 72 72 ILE HG12 H 1 1.265 0.000 . 2 . . . . 72 ILE HG1 . 17650 1 892 . 1 1 72 72 ILE HG13 H 1 1.265 0.000 . 2 . . . . 72 ILE HG1 . 17650 1 893 . 1 1 72 72 ILE HG21 H 1 0.927 0.016 . 1 . . . . 72 ILE QG2 . 17650 1 894 . 1 1 72 72 ILE HG22 H 1 0.927 0.016 . 1 . . . . 72 ILE QG2 . 17650 1 895 . 1 1 72 72 ILE HG23 H 1 0.927 0.016 . 1 . . . . 72 ILE QG2 . 17650 1 896 . 1 1 72 72 ILE HD11 H 1 0.628 0.000 . 1 . . . . 72 ILE QD1 . 17650 1 897 . 1 1 72 72 ILE HD12 H 1 0.628 0.000 . 1 . . . . 72 ILE QD1 . 17650 1 898 . 1 1 72 72 ILE HD13 H 1 0.628 0.000 . 1 . . . . 72 ILE QD1 . 17650 1 899 . 1 1 72 72 ILE C C 13 176.864 0.012 . 1 . . . . 72 ILE C . 17650 1 900 . 1 1 72 72 ILE CA C 13 62.611 0.003 . 1 . . . . 72 ILE CA . 17650 1 901 . 1 1 72 72 ILE CB C 13 40.603 0.009 . 1 . . . . 72 ILE CB . 17650 1 902 . 1 1 72 72 ILE CG1 C 13 29.220 0.000 . 1 . . . . 72 ILE CG1 . 17650 1 903 . 1 1 72 72 ILE CG2 C 13 19.404 0.000 . 1 . . . . 72 ILE CG2 . 17650 1 904 . 1 1 72 72 ILE CD1 C 13 14.860 0.010 . 1 . . . . 72 ILE CD1 . 17650 1 905 . 1 1 72 72 ILE N N 15 120.752 0.044 . 1 . . . . 72 ILE N . 17650 1 906 . 1 1 73 73 ILE H H 1 8.135 0.011 . 1 . . . . 73 ILE H . 17650 1 907 . 1 1 73 73 ILE HA H 1 4.005 0.002 . 1 . . . . 73 ILE HA . 17650 1 908 . 1 1 73 73 ILE HB H 1 1.623 0.004 . 1 . . . . 73 ILE HB . 17650 1 909 . 1 1 73 73 ILE HG12 H 1 1.248 0.000 . 2 . . . . 73 ILE HG1 . 17650 1 910 . 1 1 73 73 ILE HG13 H 1 1.248 0.000 . 2 . . . . 73 ILE HG1 . 17650 1 911 . 1 1 73 73 ILE HG21 H 1 0.943 0.065 . 1 . . . . 73 ILE QG2 . 17650 1 912 . 1 1 73 73 ILE HG22 H 1 0.943 0.065 . 1 . . . . 73 ILE QG2 . 17650 1 913 . 1 1 73 73 ILE HG23 H 1 0.943 0.065 . 1 . . . . 73 ILE QG2 . 17650 1 914 . 1 1 73 73 ILE HD11 H 1 0.642 0.000 . 1 . . . . 73 ILE QD1 . 17650 1 915 . 1 1 73 73 ILE HD12 H 1 0.642 0.000 . 1 . . . . 73 ILE QD1 . 17650 1 916 . 1 1 73 73 ILE HD13 H 1 0.642 0.000 . 1 . . . . 73 ILE QD1 . 17650 1 917 . 1 1 73 73 ILE C C 13 176.909 0.069 . 1 . . . . 73 ILE C . 17650 1 918 . 1 1 73 73 ILE CA C 13 62.156 0.003 . 1 . . . . 73 ILE CA . 17650 1 919 . 1 1 73 73 ILE CB C 13 40.412 0.009 . 1 . . . . 73 ILE CB . 17650 1 920 . 1 1 73 73 ILE CG1 C 13 28.978 0.054 . 1 . . . . 73 ILE CG1 . 17650 1 921 . 1 1 73 73 ILE CG2 C 13 19.464 0.000 . 1 . . . . 73 ILE CG2 . 17650 1 922 . 1 1 73 73 ILE CD1 C 13 14.687 0.000 . 1 . . . . 73 ILE CD1 . 17650 1 923 . 1 1 73 73 ILE N N 15 124.677 0.054 . 1 . . . . 73 ILE N . 17650 1 924 . 1 1 74 74 LEU H H 1 8.182 0.011 . 1 . . . . 74 LEU H . 17650 1 925 . 1 1 74 74 LEU HA H 1 4.279 0.010 . 1 . . . . 74 LEU HA . 17650 1 926 . 1 1 74 74 LEU HB2 H 1 1.409 0.003 . 2 . . . . 74 LEU HB . 17650 1 927 . 1 1 74 74 LEU HB3 H 1 1.409 0.003 . 2 . . . . 74 LEU HB . 17650 1 928 . 1 1 74 74 LEU HG H 1 1.394 0.000 . 1 . . . . 74 LEU HG . 17650 1 929 . 1 1 74 74 LEU HD11 H 1 0.703 0.011 . 1 . . . . 74 LEU QD1 . 17650 1 930 . 1 1 74 74 LEU HD12 H 1 0.703 0.011 . 1 . . . . 74 LEU QD1 . 17650 1 931 . 1 1 74 74 LEU HD13 H 1 0.703 0.011 . 1 . . . . 74 LEU QD1 . 17650 1 932 . 1 1 74 74 LEU HD21 H 1 0.626 0.000 . 1 . . . . 74 LEU QD2 . 17650 1 933 . 1 1 74 74 LEU HD22 H 1 0.626 0.000 . 1 . . . . 74 LEU QD2 . 17650 1 934 . 1 1 74 74 LEU HD23 H 1 0.626 0.000 . 1 . . . . 74 LEU QD2 . 17650 1 935 . 1 1 74 74 LEU C C 13 178.180 0.013 . 1 . . . . 74 LEU C . 17650 1 936 . 1 1 74 74 LEU CA C 13 56.380 0.003 . 1 . . . . 74 LEU CA . 17650 1 937 . 1 1 74 74 LEU CB C 13 44.620 0.010 . 1 . . . . 74 LEU CB . 17650 1 938 . 1 1 74 74 LEU CG C 13 28.729 0.006 . 1 . . . . 74 LEU CG . 17650 1 939 . 1 1 74 74 LEU CD1 C 13 25.620 0.000 . 2 . . . . 74 LEU CD1 . 17650 1 940 . 1 1 74 74 LEU CD2 C 13 26.867 0.000 . 2 . . . . 74 LEU CD2 . 17650 1 941 . 1 1 74 74 LEU N N 15 125.621 0.050 . 1 . . . . 74 LEU N . 17650 1 942 . 1 1 75 75 SER H H 1 8.117 0.011 . 1 . . . . 75 SER H . 17650 1 943 . 1 1 75 75 SER HA H 1 4.285 0.012 . 1 . . . . 75 SER HA . 17650 1 944 . 1 1 75 75 SER HB2 H 1 3.699 0.010 . 2 . . . . 75 SER HB . 17650 1 945 . 1 1 75 75 SER HB3 H 1 3.699 0.010 . 2 . . . . 75 SER HB . 17650 1 946 . 1 1 75 75 SER C C 13 175.667 0.002 . 1 . . . . 75 SER C . 17650 1 947 . 1 1 75 75 SER CA C 13 59.288 0.167 . 1 . . . . 75 SER CA . 17650 1 948 . 1 1 75 75 SER CB C 13 65.677 0.009 . 1 . . . . 75 SER CB . 17650 1 949 . 1 1 75 75 SER N N 15 115.561 0.038 . 1 . . . . 75 SER N . 17650 1 950 . 1 1 76 76 LYS H H 1 8.271 0.011 . 1 . . . . 76 LYS H . 17650 1 951 . 1 1 76 76 LYS HA H 1 4.119 0.002 . 1 . . . . 76 LYS HA . 17650 1 952 . 1 1 76 76 LYS HB2 H 1 1.619 0.001 . 2 . . . . 76 LYS HB . 17650 1 953 . 1 1 76 76 LYS HB3 H 1 1.619 0.001 . 2 . . . . 76 LYS HB . 17650 1 954 . 1 1 76 76 LYS HG2 H 1 1.221 0.000 . 2 . . . . 76 LYS HG . 17650 1 955 . 1 1 76 76 LYS HG3 H 1 1.221 0.000 . 2 . . . . 76 LYS HG . 17650 1 956 . 1 1 76 76 LYS HD2 H 1 1.485 0.008 . 2 . . . . 76 LYS HD . 17650 1 957 . 1 1 76 76 LYS HD3 H 1 1.485 0.008 . 2 . . . . 76 LYS HD . 17650 1 958 . 1 1 76 76 LYS HE2 H 1 2.794 0.002 . 2 . . . . 76 LYS HE . 17650 1 959 . 1 1 76 76 LYS HE3 H 1 2.794 0.002 . 2 . . . . 76 LYS HE . 17650 1 960 . 1 1 76 76 LYS C C 13 177.782 0.016 . 1 . . . . 76 LYS C . 17650 1 961 . 1 1 76 76 LYS CA C 13 58.486 0.003 . 1 . . . . 76 LYS CA . 17650 1 962 . 1 1 76 76 LYS CB C 13 34.587 0.009 . 1 . . . . 76 LYS CB . 17650 1 963 . 1 1 76 76 LYS CG C 13 26.509 0.006 . 1 . . . . 76 LYS CG . 17650 1 964 . 1 1 76 76 LYS CD C 13 30.991 0.008 . 1 . . . . 76 LYS CD . 17650 1 965 . 1 1 76 76 LYS CE C 13 43.903 0.000 . 1 . . . . 76 LYS CE . 17650 1 966 . 1 1 76 76 LYS N N 15 122.076 0.032 . 1 . . . . 76 LYS N . 17650 1 967 . 1 1 77 77 GLU H H 1 8.314 0.013 . 1 . . . . 77 GLU H . 17650 1 968 . 1 1 77 77 GLU HA H 1 4.064 0.002 . 1 . . . . 77 GLU HA . 17650 1 969 . 1 1 77 77 GLU HB2 H 1 1.817 0.003 . 2 . . . . 77 GLU HB . 17650 1 970 . 1 1 77 77 GLU HB3 H 1 1.817 0.003 . 2 . . . . 77 GLU HB . 17650 1 971 . 1 1 77 77 GLU HG2 H 1 2.067 0.000 . 2 . . . . 77 GLU HG . 17650 1 972 . 1 1 77 77 GLU HG3 H 1 2.067 0.000 . 2 . . . . 77 GLU HG . 17650 1 973 . 1 1 77 77 GLU C C 13 178.254 0.014 . 1 . . . . 77 GLU C . 17650 1 974 . 1 1 77 77 GLU CA C 13 58.799 0.003 . 1 . . . . 77 GLU CA . 17650 1 975 . 1 1 77 77 GLU CB C 13 31.423 0.009 . 1 . . . . 77 GLU CB . 17650 1 976 . 1 1 77 77 GLU CG C 13 38.153 0.006 . 1 . . . . 77 GLU CG . 17650 1 977 . 1 1 77 77 GLU N N 15 120.044 0.030 . 1 . . . . 77 GLU N . 17650 1 978 . 1 1 78 78 GLY H H 1 8.261 0.010 . 1 . . . . 78 GLY H . 17650 1 979 . 1 1 78 78 GLY HA2 H 1 3.756 0.002 . 2 . . . . 78 GLY HA . 17650 1 980 . 1 1 78 78 GLY HA3 H 1 3.756 0.002 . 2 . . . . 78 GLY HA . 17650 1 981 . 1 1 78 78 GLY C C 13 175.282 0.012 . 1 . . . . 78 GLY C . 17650 1 982 . 1 1 78 78 GLY CA C 13 47.347 0.010 . 1 . . . . 78 GLY CA . 17650 1 983 . 1 1 78 78 GLY N N 15 108.919 0.029 . 1 . . . . 78 GLY N . 17650 1 984 . 1 1 79 79 ALA H H 1 7.920 0.014 . 1 . . . . 79 ALA H . 17650 1 985 . 1 1 79 79 ALA HA H 1 4.122 0.003 . 1 . . . . 79 ALA HA . 17650 1 986 . 1 1 79 79 ALA HB1 H 1 1.204 0.010 . 2 . . . . 79 ALA QB . 17650 1 987 . 1 1 79 79 ALA HB2 H 1 1.204 0.010 . 2 . . . . 79 ALA QB . 17650 1 988 . 1 1 79 79 ALA HB3 H 1 1.204 0.010 . 2 . . . . 79 ALA QB . 17650 1 989 . 1 1 79 79 ALA C C 13 178.978 0.004 . 1 . . . . 79 ALA C . 17650 1 990 . 1 1 79 79 ALA CA C 13 54.853 0.313 . 1 . . . . 79 ALA CA . 17650 1 991 . 1 1 79 79 ALA CB C 13 21.253 0.009 . 1 . . . . 79 ALA CB . 17650 1 992 . 1 1 79 79 ALA N N 15 122.234 0.048 . 1 . . . . 79 ALA N . 17650 1 993 . 1 1 80 80 GLU H H 1 8.277 0.021 . 1 . . . . 80 GLU H . 17650 1 994 . 1 1 80 80 GLU HA H 1 4.070 0.000 . 1 . . . . 80 GLU HA . 17650 1 995 . 1 1 80 80 GLU HB2 H 1 1.835 0.003 . 2 . . . . 80 GLU HB . 17650 1 996 . 1 1 80 80 GLU HB3 H 1 1.835 0.003 . 2 . . . . 80 GLU HB . 17650 1 997 . 1 1 80 80 GLU HG2 H 1 1.995 0.000 . 2 . . . . 80 GLU HG . 17650 1 998 . 1 1 80 80 GLU HG3 H 1 1.995 0.000 . 2 . . . . 80 GLU HG . 17650 1 999 . 1 1 80 80 GLU C C 13 177.737 0.008 . 1 . . . . 80 GLU C . 17650 1 1000 . 1 1 80 80 GLU CA C 13 58.904 0.003 . 1 . . . . 80 GLU CA . 17650 1 1001 . 1 1 80 80 GLU CB C 13 31.989 0.009 . 1 . . . . 80 GLU CB . 17650 1 1002 . 1 1 80 80 GLU N N 15 118.229 0.038 . 1 . . . . 80 GLU N . 17650 1 1003 . 1 1 81 81 GLN H H 1 8.090 0.000 . 1 . . . . 81 GLN H . 17650 1 1004 . 1 1 81 81 GLN HA H 1 4.124 0.000 . 1 . . . . 81 GLN HA . 17650 1 1005 . 1 1 81 81 GLN HB2 H 1 1.841 0.003 . 2 . . . . 81 GLN HB . 17650 1 1006 . 1 1 81 81 GLN HB3 H 1 1.841 0.003 . 2 . . . . 81 GLN HB . 17650 1 1007 . 1 1 81 81 GLN HG2 H 1 2.137 0.000 . 2 . . . . 81 GLN HG . 17650 1 1008 . 1 1 81 81 GLN HG3 H 1 2.137 0.000 . 2 . . . . 81 GLN HG . 17650 1 1009 . 1 1 81 81 GLN CB C 13 31.152 0.009 . 1 . . . . 81 GLN CB . 17650 1 1010 . 1 1 81 81 GLN CG C 13 35.809 0.006 . 1 . . . . 81 GLN CG . 17650 1 1011 . 1 1 81 81 GLN N N 15 119.468 0.000 . 1 . . . . 81 GLN N . 17650 1 1012 . 1 1 82 82 ILE H H 1 7.954 0.009 . 1 . . . . 82 ILE H . 17650 1 1013 . 1 1 82 82 ILE HA H 1 3.939 0.000 . 1 . . . . 82 ILE HA . 17650 1 1014 . 1 1 82 82 ILE HB H 1 1.663 0.011 . 1 . . . . 82 ILE HB . 17650 1 1015 . 1 1 82 82 ILE HG12 H 1 1.264 0.000 . 2 . . . . 82 ILE HG1 . 17650 1 1016 . 1 1 82 82 ILE HG13 H 1 1.264 0.000 . 2 . . . . 82 ILE HG1 . 17650 1 1017 . 1 1 82 82 ILE HG21 H 1 0.954 0.016 . 1 . . . . 82 ILE QG2 . 17650 1 1018 . 1 1 82 82 ILE HG22 H 1 0.954 0.016 . 1 . . . . 82 ILE QG2 . 17650 1 1019 . 1 1 82 82 ILE HG23 H 1 0.954 0.016 . 1 . . . . 82 ILE QG2 . 17650 1 1020 . 1 1 82 82 ILE HD11 H 1 0.656 0.000 . 1 . . . . 82 ILE QD1 . 17650 1 1021 . 1 1 82 82 ILE HD12 H 1 0.656 0.000 . 1 . . . . 82 ILE QD1 . 17650 1 1022 . 1 1 82 82 ILE HD13 H 1 0.656 0.000 . 1 . . . . 82 ILE QD1 . 17650 1 1023 . 1 1 82 82 ILE C C 13 177.351 0.010 . 1 . . . . 82 ILE C . 17650 1 1024 . 1 1 82 82 ILE CA C 13 63.118 0.003 . 1 . . . . 82 ILE CA . 17650 1 1025 . 1 1 82 82 ILE CB C 13 40.311 0.009 . 1 . . . . 82 ILE CB . 17650 1 1026 . 1 1 82 82 ILE CG1 C 13 29.310 0.000 . 1 . . . . 82 ILE CG1 . 17650 1 1027 . 1 1 82 82 ILE CG2 C 13 19.540 0.000 . 1 . . . . 82 ILE CG2 . 17650 1 1028 . 1 1 82 82 ILE CD1 C 13 14.818 0.000 . 1 . . . . 82 ILE CD1 . 17650 1 1029 . 1 1 82 82 ILE N N 15 120.752 0.041 . 1 . . . . 82 ILE N . 17650 1 1030 . 1 1 83 83 LEU H H 1 8.101 0.008 . 1 . . . . 83 LEU H . 17650 1 1031 . 1 1 83 83 LEU HA H 1 4.135 0.023 . 1 . . . . 83 LEU HA . 17650 1 1032 . 1 1 83 83 LEU HB2 H 1 1.403 0.009 . 2 . . . . 83 LEU HB . 17650 1 1033 . 1 1 83 83 LEU HB3 H 1 1.403 0.009 . 2 . . . . 83 LEU HB . 17650 1 1034 . 1 1 83 83 LEU HG H 1 1.418 0.002 . 1 . . . . 83 LEU HG . 17650 1 1035 . 1 1 83 83 LEU HD11 H 1 0.674 0.000 . 1 . . . . 83 LEU QD1 . 17650 1 1036 . 1 1 83 83 LEU HD12 H 1 0.674 0.000 . 1 . . . . 83 LEU QD1 . 17650 1 1037 . 1 1 83 83 LEU HD13 H 1 0.674 0.000 . 1 . . . . 83 LEU QD1 . 17650 1 1038 . 1 1 83 83 LEU HD21 H 1 0.679 0.010 . 1 . . . . 83 LEU QD2 . 17650 1 1039 . 1 1 83 83 LEU HD22 H 1 0.679 0.010 . 1 . . . . 83 LEU QD2 . 17650 1 1040 . 1 1 83 83 LEU HD23 H 1 0.679 0.010 . 1 . . . . 83 LEU QD2 . 17650 1 1041 . 1 1 83 83 LEU C C 13 178.162 0.007 . 1 . . . . 83 LEU C . 17650 1 1042 . 1 1 83 83 LEU CA C 13 56.907 0.003 . 1 . . . . 83 LEU CA . 17650 1 1043 . 1 1 83 83 LEU CB C 13 43.970 0.009 . 1 . . . . 83 LEU CB . 17650 1 1044 . 1 1 83 83 LEU CG C 13 28.973 0.009 . 1 . . . . 83 LEU CG . 17650 1 1045 . 1 1 83 83 LEU CD1 C 13 25.566 0.000 . 2 . . . . 83 LEU CD1 . 17650 1 1046 . 1 1 83 83 LEU CD2 C 13 26.396 0.000 . 2 . . . . 83 LEU CD2 . 17650 1 1047 . 1 1 83 83 LEU N N 15 124.304 0.065 . 1 . . . . 83 LEU N . 17650 1 1048 . 1 1 84 84 ASN H H 1 8.176 0.009 . 1 . . . . 84 ASN H . 17650 1 1049 . 1 1 84 84 ASN HA H 1 4.470 0.003 . 1 . . . . 84 ASN HA . 17650 1 1050 . 1 1 84 84 ASN HB2 H 1 2.597 0.007 . 2 . . . . 84 ASN HB . 17650 1 1051 . 1 1 84 84 ASN HB3 H 1 2.597 0.007 . 2 . . . . 84 ASN HB . 17650 1 1052 . 1 1 84 84 ASN C C 13 176.420 0.004 . 1 . . . . 84 ASN C . 17650 1 1053 . 1 1 84 84 ASN CA C 13 55.103 0.126 . 1 . . . . 84 ASN CA . 17650 1 1054 . 1 1 84 84 ASN CB C 13 40.392 0.229 . 1 . . . . 84 ASN CB . 17650 1 1055 . 1 1 84 84 ASN N N 15 118.141 0.051 . 1 . . . . 84 ASN N . 17650 1 1056 . 1 1 85 85 GLU H H 1 8.221 0.010 . 1 . . . . 85 GLU H . 17650 1 1057 . 1 1 85 85 GLU HA H 1 4.080 0.002 . 1 . . . . 85 GLU HA . 17650 1 1058 . 1 1 85 85 GLU HB2 H 1 1.835 0.002 . 2 . . . . 85 GLU HB . 17650 1 1059 . 1 1 85 85 GLU HB3 H 1 1.835 0.002 . 2 . . . . 85 GLU HB . 17650 1 1060 . 1 1 85 85 GLU HG2 H 1 2.055 0.000 . 2 . . . . 85 GLU HG . 17650 1 1061 . 1 1 85 85 GLU HG3 H 1 2.055 0.000 . 2 . . . . 85 GLU HG . 17650 1 1062 . 1 1 85 85 GLU C C 13 177.614 0.010 . 1 . . . . 85 GLU C . 17650 1 1063 . 1 1 85 85 GLU CA C 13 58.627 0.003 . 1 . . . . 85 GLU CA . 17650 1 1064 . 1 1 85 85 GLU CB C 13 31.571 0.009 . 1 . . . . 85 GLU CB . 17650 1 1065 . 1 1 85 85 GLU CG C 13 38.119 0.006 . 1 . . . . 85 GLU CG . 17650 1 1066 . 1 1 85 85 GLU N N 15 119.592 0.023 . 1 . . . . 85 GLU N . 17650 1 1067 . 1 1 86 86 LEU H H 1 7.994 0.009 . 1 . . . . 86 LEU H . 17650 1 1068 . 1 1 86 86 LEU HA H 1 4.136 0.002 . 1 . . . . 86 LEU HA . 17650 1 1069 . 1 1 86 86 LEU HB2 H 1 1.444 0.012 . 2 . . . . 86 LEU HB . 17650 1 1070 . 1 1 86 86 LEU HB3 H 1 1.444 0.012 . 2 . . . . 86 LEU HB . 17650 1 1071 . 1 1 86 86 LEU HG H 1 1.437 0.000 . 1 . . . . 86 LEU HG . 17650 1 1072 . 1 1 86 86 LEU HD11 H 1 0.670 0.000 . 1 . . . . 86 LEU QD1 . 17650 1 1073 . 1 1 86 86 LEU HD12 H 1 0.670 0.000 . 1 . . . . 86 LEU QD1 . 17650 1 1074 . 1 1 86 86 LEU HD13 H 1 0.670 0.000 . 1 . . . . 86 LEU QD1 . 17650 1 1075 . 1 1 86 86 LEU HD21 H 1 0.659 0.000 . 1 . . . . 86 LEU QD2 . 17650 1 1076 . 1 1 86 86 LEU HD22 H 1 0.659 0.000 . 1 . . . . 86 LEU QD2 . 17650 1 1077 . 1 1 86 86 LEU HD23 H 1 0.659 0.000 . 1 . . . . 86 LEU QD2 . 17650 1 1078 . 1 1 86 86 LEU C C 13 178.462 0.012 . 1 . . . . 86 LEU C . 17650 1 1079 . 1 1 86 86 LEU CA C 13 57.156 0.149 . 1 . . . . 86 LEU CA . 17650 1 1080 . 1 1 86 86 LEU CB C 13 43.663 0.133 . 1 . . . . 86 LEU CB . 17650 1 1081 . 1 1 86 86 LEU CG C 13 28.864 0.006 . 1 . . . . 86 LEU CG . 17650 1 1082 . 1 1 86 86 LEU CD1 C 13 25.499 0.000 . 2 . . . . 86 LEU CD1 . 17650 1 1083 . 1 1 86 86 LEU CD2 C 13 26.804 0.000 . 2 . . . . 86 LEU CD2 . 17650 1 1084 . 1 1 86 86 LEU N N 15 120.672 0.039 . 1 . . . . 86 LEU N . 17650 1 1085 . 1 1 87 87 GLN H H 1 8.023 0.010 . 1 . . . . 87 GLN H . 17650 1 1086 . 1 1 87 87 GLN HA H 1 4.094 0.000 . 1 . . . . 87 GLN HA . 17650 1 1087 . 1 1 87 87 GLN HB2 H 1 1.826 0.003 . 2 . . . . 87 GLN HB . 17650 1 1088 . 1 1 87 87 GLN HB3 H 1 1.826 0.003 . 2 . . . . 87 GLN HB . 17650 1 1089 . 1 1 87 87 GLN HG2 H 1 2.159 0.000 . 2 . . . . 87 GLN HG . 17650 1 1090 . 1 1 87 87 GLN HG3 H 1 2.159 0.000 . 2 . . . . 87 GLN HG . 17650 1 1091 . 1 1 87 87 GLN C C 13 176.689 0.016 . 1 . . . . 87 GLN C . 17650 1 1092 . 1 1 87 87 GLN N N 15 118.998 0.034 . 1 . . . . 87 GLN N . 17650 1 1093 . 1 1 88 88 ASP H H 1 8.057 0.004 . 1 . . . . 88 ASP H . 17650 1 1094 . 1 1 88 88 ASP HA H 1 4.351 0.005 . 1 . . . . 88 ASP HA . 17650 1 1095 . 1 1 88 88 ASP HB2 H 1 2.380 0.007 . 2 . . . . 88 ASP HB . 17650 1 1096 . 1 1 88 88 ASP HB3 H 1 2.380 0.007 . 2 . . . . 88 ASP HB . 17650 1 1097 . 1 1 88 88 ASP C C 13 176.884 0.008 . 1 . . . . 88 ASP C . 17650 1 1098 . 1 1 88 88 ASP CA C 13 56.275 0.003 . 1 . . . . 88 ASP CA . 17650 1 1099 . 1 1 88 88 ASP CB C 13 42.456 0.009 . 1 . . . . 88 ASP CB . 17650 1 1100 . 1 1 88 88 ASP N N 15 119.332 0.039 . 1 . . . . 88 ASP N . 17650 1 1101 . 1 1 89 89 TYR H H 1 7.841 0.012 . 1 . . . . 89 TYR H . 17650 1 1102 . 1 1 89 89 TYR HA H 1 4.329 0.004 . 1 . . . . 89 TYR HA . 17650 1 1103 . 1 1 89 89 TYR HB2 H 1 2.800 0.001 . 2 . . . . 89 TYR HB . 17650 1 1104 . 1 1 89 89 TYR HB3 H 1 2.800 0.001 . 2 . . . . 89 TYR HB . 17650 1 1105 . 1 1 89 89 TYR HD1 H 1 6.950 0.008 . 3 . . . . 89 TYR HD . 17650 1 1106 . 1 1 89 89 TYR HD2 H 1 6.950 0.008 . 3 . . . . 89 TYR HD . 17650 1 1107 . 1 1 89 89 TYR HE1 H 1 6.678 0.002 . 3 . . . . 89 TYR HE . 17650 1 1108 . 1 1 89 89 TYR HE2 H 1 6.678 0.002 . 3 . . . . 89 TYR HE . 17650 1 1109 . 1 1 89 89 TYR C C 13 176.448 0.005 . 1 . . . . 89 TYR C . 17650 1 1110 . 1 1 89 89 TYR CA C 13 59.803 0.003 . 1 . . . . 89 TYR CA . 17650 1 1111 . 1 1 89 89 TYR CB C 13 40.505 0.009 . 1 . . . . 89 TYR CB . 17650 1 1112 . 1 1 89 89 TYR CD1 C 13 132.794 0.008 . 3 . . . . 89 TYR CD1 . 17650 1 1113 . 1 1 89 89 TYR CE1 C 13 117.874 0.000 . 3 . . . . 89 TYR CE1 . 17650 1 1114 . 1 1 89 89 TYR N N 15 118.791 0.025 . 1 . . . . 89 TYR N . 17650 1 1115 . 1 1 90 90 ILE H H 1 7.693 0.012 . 1 . . . . 90 ILE H . 17650 1 1116 . 1 1 90 90 ILE HA H 1 3.872 0.000 . 1 . . . . 90 ILE HA . 17650 1 1117 . 1 1 90 90 ILE HB H 1 1.578 0.010 . 1 . . . . 90 ILE HB . 17650 1 1118 . 1 1 90 90 ILE HG12 H 1 1.213 0.000 . 2 . . . . 90 ILE HG1 . 17650 1 1119 . 1 1 90 90 ILE HG13 H 1 1.213 0.000 . 2 . . . . 90 ILE HG1 . 17650 1 1120 . 1 1 90 90 ILE HG21 H 1 0.910 0.016 . 1 . . . . 90 ILE QG2 . 17650 1 1121 . 1 1 90 90 ILE HG22 H 1 0.910 0.016 . 1 . . . . 90 ILE QG2 . 17650 1 1122 . 1 1 90 90 ILE HG23 H 1 0.910 0.016 . 1 . . . . 90 ILE QG2 . 17650 1 1123 . 1 1 90 90 ILE HD11 H 1 0.626 0.000 . 1 . . . . 90 ILE QD1 . 17650 1 1124 . 1 1 90 90 ILE HD12 H 1 0.626 0.000 . 1 . . . . 90 ILE QD1 . 17650 1 1125 . 1 1 90 90 ILE HD13 H 1 0.626 0.000 . 1 . . . . 90 ILE QD1 . 17650 1 1126 . 1 1 90 90 ILE C C 13 176.801 0.012 . 1 . . . . 90 ILE C . 17650 1 1127 . 1 1 90 90 ILE CA C 13 62.469 0.003 . 1 . . . . 90 ILE CA . 17650 1 1128 . 1 1 90 90 ILE CB C 13 40.877 0.009 . 1 . . . . 90 ILE CB . 17650 1 1129 . 1 1 90 90 ILE CG1 C 13 29.297 0.000 . 1 . . . . 90 ILE CG1 . 17650 1 1130 . 1 1 90 90 ILE CG2 C 13 19.348 0.000 . 1 . . . . 90 ILE CG2 . 17650 1 1131 . 1 1 90 90 ILE CD1 C 13 14.850 0.000 . 1 . . . . 90 ILE CD1 . 17650 1 1132 . 1 1 90 90 ILE N N 15 121.938 0.134 . 1 . . . . 90 ILE N . 17650 1 1133 . 1 1 91 91 GLU H H 1 8.196 0.009 . 1 . . . . 91 GLU H . 17650 1 1134 . 1 1 91 91 GLU HA H 1 4.078 0.000 . 1 . . . . 91 GLU HA . 17650 1 1135 . 1 1 91 91 GLU HB2 H 1 1.820 0.003 . 2 . . . . 91 GLU HB . 17650 1 1136 . 1 1 91 91 GLU HB3 H 1 1.820 0.003 . 2 . . . . 91 GLU HB . 17650 1 1137 . 1 1 91 91 GLU HG2 H 1 2.076 0.000 . 2 . . . . 91 GLU HG . 17650 1 1138 . 1 1 91 91 GLU HG3 H 1 2.076 0.000 . 2 . . . . 91 GLU HG . 17650 1 1139 . 1 1 91 91 GLU C C 13 177.603 0.004 . 1 . . . . 91 GLU C . 17650 1 1140 . 1 1 91 91 GLU CA C 13 58.319 0.003 . 1 . . . . 91 GLU CA . 17650 1 1141 . 1 1 91 91 GLU CB C 13 31.859 0.009 . 1 . . . . 91 GLU CB . 17650 1 1142 . 1 1 91 91 GLU CG C 13 38.082 0.006 . 1 . . . . 91 GLU CG . 17650 1 1143 . 1 1 91 91 GLU N N 15 123.607 0.067 . 1 . . . . 91 GLU N . 17650 1 1144 . 1 1 92 92 THR H H 1 7.914 0.010 . 1 . . . . 92 THR H . 17650 1 1145 . 1 1 92 92 THR HA H 1 4.089 0.000 . 1 . . . . 92 THR HA . 17650 1 1146 . 1 1 92 92 THR HB H 1 4.092 0.009 . 1 . . . . 92 THR HB . 17650 1 1147 . 1 1 92 92 THR HG21 H 1 1.001 0.126 . 2 . . . . 92 THR HG2 . 17650 1 1148 . 1 1 92 92 THR HG22 H 1 1.001 0.126 . 2 . . . . 92 THR HG2 . 17650 1 1149 . 1 1 92 92 THR HG23 H 1 1.001 0.126 . 2 . . . . 92 THR HG2 . 17650 1 1150 . 1 1 92 92 THR C C 13 175.246 0.006 . 1 . . . . 92 THR C . 17650 1 1151 . 1 1 92 92 THR CA C 13 63.244 0.003 . 1 . . . . 92 THR CA . 17650 1 1152 . 1 1 92 92 THR CB C 13 71.174 0.009 . 1 . . . . 92 THR CB . 17650 1 1153 . 1 1 92 92 THR CG2 C 13 23.584 0.000 . 1 . . . . 92 THR CG2 . 17650 1 1154 . 1 1 92 92 THR N N 15 114.348 0.091 . 1 . . . . 92 THR N . 17650 1 1155 . 1 1 93 93 ALA H H 1 8.104 0.010 . 1 . . . . 93 ALA H . 17650 1 1156 . 1 1 93 93 ALA HA H 1 4.148 0.126 . 1 . . . . 93 ALA HA . 17650 1 1157 . 1 1 93 93 ALA HB1 H 1 1.185 0.009 . 2 . . . . 93 ALA QB . 17650 1 1158 . 1 1 93 93 ALA HB2 H 1 1.185 0.009 . 2 . . . . 93 ALA QB . 17650 1 1159 . 1 1 93 93 ALA HB3 H 1 1.185 0.009 . 2 . . . . 93 ALA QB . 17650 1 1160 . 1 1 93 93 ALA C C 13 177.690 0.009 . 1 . . . . 93 ALA C . 17650 1 1161 . 1 1 93 93 ALA CA C 13 54.503 0.087 . 1 . . . . 93 ALA CA . 17650 1 1162 . 1 1 93 93 ALA CB C 13 21.060 0.009 . 1 . . . . 93 ALA CB . 17650 1 1163 . 1 1 93 93 ALA N N 15 126.011 0.026 . 1 . . . . 93 ALA N . 17650 1 1164 . 1 1 94 94 LYS H H 1 7.699 0.007 . 1 . . . . 94 LYS H . 17650 1 1165 . 1 1 94 94 LYS HA H 1 3.987 0.004 . 1 . . . . 94 LYS HA . 17650 1 1166 . 1 1 94 94 LYS HE2 H 1 2.811 0.011 . 2 . . . . 94 LYS HE . 17650 1 1167 . 1 1 94 94 LYS HE3 H 1 2.811 0.011 . 2 . . . . 94 LYS HE . 17650 1 1168 . 1 1 94 94 LYS C C 13 182.452 0.008 . 1 . . . . 94 LYS C . 17650 1 1169 . 1 1 94 94 LYS CA C 13 59.307 0.074 . 1 . . . . 94 LYS CA . 17650 1 1170 . 1 1 94 94 LYS CB C 13 35.689 0.009 . 1 . . . . 94 LYS CB . 17650 1 1171 . 1 1 94 94 LYS N N 15 124.944 0.028 . 1 . . . . 94 LYS N . 17650 1 stop_ save_