data_19461 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19461 _Entry.Title ; HlyII-C major cis form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-28 _Entry.Accession_date 2013-08-28 _Entry.Last_release_date 2014-02-12 _Entry.Original_release_date 2014-02-12 _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 Anne Kaplan . R. . 19461 2 Mark Maciejewski . W. . 19461 3 Rich Olson . . . 19461 4 Andrei Alexandrescu . T. . 19461 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19461 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19461 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 19461 '15N chemical shifts' 113 19461 '1H chemical shifts' 639 19461 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-12 2013-08-28 original author . 19461 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19462 'HlyII-C minor trans form' 19461 BMRB 19463 'HlyII-C mutant p87m' 19461 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19461 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24234348 _Citation.Full_citation . _Citation.Title 'NMR assignments for the cis and trans forms of the hemolysin II C-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Anne Kaplan . R. . 19461 1 2 Mark Maciejewski . W. . 19461 1 3 Rich Olson . . . 19461 1 4 Andrei Alexandrescu . T. . 19461 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial virulence' 19461 1 'conformational heterogeneity' 19461 1 'membrane proteins' 19461 1 'modular proteins' 19461 1 oligomerization 19461 1 'proline isomerization' 19461 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19461 _Assembly.ID 1 _Assembly.Name HlyIIC-Cis _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10415.6 _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 'HlyIIC-Cis major' 1 $HlyIIC-cis_(major) A . yes native yes yes . . . 19461 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID unknown 19461 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HlyIIC-cis_(major) _Entity.Sf_category entity _Entity.Sf_framecode HlyIIC-cis_(major) _Entity.Entry_ID 19461 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HlyIIC-cis_(major) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DNQKALEEQMNSINSVNDKL NKGKGKLSLSMNGNQLKATS SNAGYGISYEDKNWGIFVNG EKVYTFNEKSTVGNISNDIN KLNIKGPYIEIKQI ; _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 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain of hemolysin II from Bacillus cereus' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10415.6 _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 19462 . HlyIIC-trans_(minor) . . . . . 100.00 94 100.00 100.00 3.83e-57 . . . . 19461 1 2 no BMRB 19463 . p87m-HlyIIC . . . . . 100.00 94 98.94 98.94 1.06e-55 . . . . 19461 1 3 no DBJ BAR83236 . "hemolysin II [Bacillus thuringiensis serovar tolworthi]" . . . . . 100.00 412 100.00 100.00 1.86e-54 . . . . 19461 1 4 no EMBL CCW09093 . "Hemolysin II [Bacillus sp. GeD10]" . . . . . 100.00 188 98.94 100.00 5.42e-56 . . . . 19461 1 5 no GB AAM21564 . "hemolysin II [Bacillus cereus]" . . . . . 100.00 382 98.94 100.00 6.00e-54 . . . . 19461 1 6 no GB AAP10457 . "Hemolysin II [Bacillus cereus ATCC 14579]" . . . . . 100.00 412 100.00 100.00 1.86e-54 . . . . 19461 1 7 no GB ACK95641 . "hemolysin II [Bacillus cereus G9842]" . . . . . 100.00 412 98.94 98.94 1.23e-53 . . . . 19461 1 8 no GB AEA17128 . "hemolysin II [Bacillus thuringiensis serovar chinensis CT-43]" . . . . . 100.00 412 98.94 100.00 8.78e-54 . . . . 19461 1 9 no GB AFQ27182 . "hemolysin II [Bacillus thuringiensis HD-789]" . . . . . 100.00 188 98.94 98.94 1.39e-55 . . . . 19461 1 10 no REF NP_833256 . "hemolysin II [Bacillus cereus ATCC 14579]" . . . . . 100.00 412 100.00 100.00 1.86e-54 . . . . 19461 1 11 no REF WP_000709367 . "MULTISPECIES: hemolysin II [Bacillus cereus group]" . . . . . 100.00 412 100.00 100.00 1.86e-54 . . . . 19461 1 12 no REF WP_000709368 . "hemolysin II [Bacillus cereus]" . . . . . 100.00 412 100.00 100.00 1.82e-54 . . . . 19461 1 13 no REF WP_000709369 . "hemolysin II [Bacillus thuringiensis]" . . . . . 100.00 412 98.94 100.00 8.78e-54 . . . . 19461 1 14 no REF WP_000709371 . "MULTISPECIES: hemolysin II [Bacillus]" . . . . . 100.00 412 97.87 98.94 3.24e-53 . . . . 19461 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 19461 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 . ASP . 19461 1 2 . ASN . 19461 1 3 . GLN . 19461 1 4 . LYS . 19461 1 5 . ALA . 19461 1 6 . LEU . 19461 1 7 . GLU . 19461 1 8 . GLU . 19461 1 9 . GLN . 19461 1 10 . MET . 19461 1 11 . ASN . 19461 1 12 . SER . 19461 1 13 . ILE . 19461 1 14 . ASN . 19461 1 15 . SER . 19461 1 16 . VAL . 19461 1 17 . ASN . 19461 1 18 . ASP . 19461 1 19 . LYS . 19461 1 20 . LEU . 19461 1 21 . ASN . 19461 1 22 . LYS . 19461 1 23 . GLY . 19461 1 24 . LYS . 19461 1 25 . GLY . 19461 1 26 . LYS . 19461 1 27 . LEU . 19461 1 28 . SER . 19461 1 29 . LEU . 19461 1 30 . SER . 19461 1 31 . MET . 19461 1 32 . ASN . 19461 1 33 . GLY . 19461 1 34 . ASN . 19461 1 35 . GLN . 19461 1 36 . LEU . 19461 1 37 . LYS . 19461 1 38 . ALA . 19461 1 39 . THR . 19461 1 40 . SER . 19461 1 41 . SER . 19461 1 42 . ASN . 19461 1 43 . ALA . 19461 1 44 . GLY . 19461 1 45 . TYR . 19461 1 46 . GLY . 19461 1 47 . ILE . 19461 1 48 . SER . 19461 1 49 . TYR . 19461 1 50 . GLU . 19461 1 51 . ASP . 19461 1 52 . LYS . 19461 1 53 . ASN . 19461 1 54 . TRP . 19461 1 55 . GLY . 19461 1 56 . ILE . 19461 1 57 . PHE . 19461 1 58 . VAL . 19461 1 59 . ASN . 19461 1 60 . GLY . 19461 1 61 . GLU . 19461 1 62 . LYS . 19461 1 63 . VAL . 19461 1 64 . TYR . 19461 1 65 . THR . 19461 1 66 . PHE . 19461 1 67 . ASN . 19461 1 68 . GLU . 19461 1 69 . LYS . 19461 1 70 . SER . 19461 1 71 . THR . 19461 1 72 . VAL . 19461 1 73 . GLY . 19461 1 74 . ASN . 19461 1 75 . ILE . 19461 1 76 . SER . 19461 1 77 . ASN . 19461 1 78 . ASP . 19461 1 79 . ILE . 19461 1 80 . ASN . 19461 1 81 . LYS . 19461 1 82 . LEU . 19461 1 83 . ASN . 19461 1 84 . ILE . 19461 1 85 . LYS . 19461 1 86 . GLY . 19461 1 87 . PRO . 19461 1 88 . TYR . 19461 1 89 . ILE . 19461 1 90 . GLU . 19461 1 91 . ILE . 19461 1 92 . LYS . 19461 1 93 . GLN . 19461 1 94 . ILE . 19461 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 . ASP 1 1 19461 1 . ASN 2 2 19461 1 . GLN 3 3 19461 1 . LYS 4 4 19461 1 . ALA 5 5 19461 1 . LEU 6 6 19461 1 . GLU 7 7 19461 1 . GLU 8 8 19461 1 . GLN 9 9 19461 1 . MET 10 10 19461 1 . ASN 11 11 19461 1 . SER 12 12 19461 1 . ILE 13 13 19461 1 . ASN 14 14 19461 1 . SER 15 15 19461 1 . VAL 16 16 19461 1 . ASN 17 17 19461 1 . ASP 18 18 19461 1 . LYS 19 19 19461 1 . LEU 20 20 19461 1 . ASN 21 21 19461 1 . LYS 22 22 19461 1 . GLY 23 23 19461 1 . LYS 24 24 19461 1 . GLY 25 25 19461 1 . LYS 26 26 19461 1 . LEU 27 27 19461 1 . SER 28 28 19461 1 . LEU 29 29 19461 1 . SER 30 30 19461 1 . MET 31 31 19461 1 . ASN 32 32 19461 1 . GLY 33 33 19461 1 . ASN 34 34 19461 1 . GLN 35 35 19461 1 . LEU 36 36 19461 1 . LYS 37 37 19461 1 . ALA 38 38 19461 1 . THR 39 39 19461 1 . SER 40 40 19461 1 . SER 41 41 19461 1 . ASN 42 42 19461 1 . ALA 43 43 19461 1 . GLY 44 44 19461 1 . TYR 45 45 19461 1 . GLY 46 46 19461 1 . ILE 47 47 19461 1 . SER 48 48 19461 1 . TYR 49 49 19461 1 . GLU 50 50 19461 1 . ASP 51 51 19461 1 . LYS 52 52 19461 1 . ASN 53 53 19461 1 . TRP 54 54 19461 1 . GLY 55 55 19461 1 . ILE 56 56 19461 1 . PHE 57 57 19461 1 . VAL 58 58 19461 1 . ASN 59 59 19461 1 . GLY 60 60 19461 1 . GLU 61 61 19461 1 . LYS 62 62 19461 1 . VAL 63 63 19461 1 . TYR 64 64 19461 1 . THR 65 65 19461 1 . PHE 66 66 19461 1 . ASN 67 67 19461 1 . GLU 68 68 19461 1 . LYS 69 69 19461 1 . SER 70 70 19461 1 . THR 71 71 19461 1 . VAL 72 72 19461 1 . GLY 73 73 19461 1 . ASN 74 74 19461 1 . ILE 75 75 19461 1 . SER 76 76 19461 1 . ASN 77 77 19461 1 . ASP 78 78 19461 1 . ILE 79 79 19461 1 . ASN 80 80 19461 1 . LYS 81 81 19461 1 . LEU 82 82 19461 1 . ASN 83 83 19461 1 . ILE 84 84 19461 1 . LYS 85 85 19461 1 . GLY 86 86 19461 1 . PRO 87 87 19461 1 . TYR 88 88 19461 1 . ILE 89 89 19461 1 . GLU 90 90 19461 1 . ILE 91 91 19461 1 . LYS 92 92 19461 1 . GLN 93 93 19461 1 . ILE 94 94 19461 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 19461 _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 $HlyIIC-cis_(major) . 1396 organism . 'Bacillus cereus' 'Bacillus cereus' . . Bacteria . Bacillus cereus . . . . . . . . . . . . . . . . . . . . . 19461 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 19461 _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 $HlyIIC-cis_(major) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28b . . . 'The domain studied in this work runs from amino acids D1 to I94 (numbering scheme provided for NMR assignments) corresponding to amino acids D319 to I412 of the full-length B. Cereus hemolysin II. NMR spectra show split peaks due to cis/trans isomerization of the sole proline at position 87 for about 50% of the residues in the domain. This entry contains NMR assignments for the major cis form of the domain with the wt sequence.' . . 19461 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19461 _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 HlyIIC-cis '[U-99% 13C; U-99% 15N]' . . 1 $HlyIIC-cis_(major) . . 1.0 . . mM . . . . 19461 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19461 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19461 1 4 AEBSF 'natural abundance' . . . . . . 1 . . mM . . . . 19461 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 19461 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19461 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HlyIIC-cis '[U-99% 15N]' . . 1 $HlyIIC-cis_(major) . . 1.0 . . mM . . . . 19461 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19461 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19461 2 4 AEBSF 'natural abundance' . . . . . . 1 . . mM . . . . 19461 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 19461 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19461 _Sample.ID 3 _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 HlyIIC-cis '[U-99% 15N]' . . 1 $HlyIIC-cis_(major) . . 1.0 . . mM . . . . 19461 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19461 3 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19461 3 4 AEBSF 'natural abundance' . . . . . . 1 . . mM . . . . 19461 3 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 19461 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19461 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HlyIIC-cis '[U-99% 13C; U-99% 15N]' . . 1 $HlyIIC-cis_(major) . . 1.0 . . mM . . . . 19461 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19461 4 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19461 4 4 AEBSF 'natural abundance' . . . . . . 1 . . mM . . . . 19461 4 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 19461 4 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 19461 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NMR experiments were performed on protein samples in 20 mM sodium phosphate, pH 6.0, 1 mM EDTA, 1 mM AEBSF, and 0.05% w/v sodium azide.' 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 . M 19461 1 pH 6.0 . pH 19461 1 pressure 1 . atm 19461 1 temperature 273 . K 19461 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19461 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19461 1 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 19461 _Software.ID 2 _Software.Name DANGLE _Software.Version 1.1 _Software.Details . save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19461 _Software.ID 3 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19461 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19461 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UCHC-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UCHC-800 _NMR_spectrometer.Entry_ID 19461 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_STORRS-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode STORRS-600 _NMR_spectrometer.Entry_ID 19461 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _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 19461 _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 UCHC-800 Varian INOVA . 800 'with cryoprobe' . . 19461 1 2 STORRS-600 Varian INOVA . 600 'with cryoprobe' . . 19461 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 19461 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 10 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 11 '3D HNHB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 15 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19461 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 19461 _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 na indirect 0.251449530 . . . . . . . . . 19461 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19461 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19461 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19461 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'approximate digital resolution of spectra' _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 '3D HNCACB' . . . 19461 1 2 '3D HN(CO)CA' . . . 19461 1 3 '3D HNCO' . . . 19461 1 4 '3D HN(CA)CO' . . . 19461 1 5 '2D 1H-15N HSQC' . . . 19461 1 6 '2D 1H-13C HSQC' . . . 19461 1 7 '2D 1H-1H TOCSY' . . . 19461 1 8 '3D HCCH-TOCSY' . . . 19461 1 9 '3D CCH-TOCSY' . . . 19461 1 10 '3D HNHA' . . . 19461 1 11 '3D HNHB' . . . 19461 1 12 '3D 1H-15N TOCSY' . . . 19461 1 13 '3D 1H-13C NOESY aliphatic' . . . 19461 1 14 '3D 1H-15N NOESY' . . . 19461 1 15 '2D DQF-COSY' . . . 19461 1 16 '2D 1H-1H NOESY' . . . 19461 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 ASP HA H 1 4.658 0.03 . 1 . 971 . . 1 ASP HA . 19461 1 2 . 1 1 1 1 ASP HB2 H 1 2.818 0.03 . 2 . 972 . . 1 ASP HB2 . 19461 1 3 . 1 1 1 1 ASP HB3 H 1 2.868 0.03 . 2 . 973 . . 1 ASP HB3 . 19461 1 4 . 1 1 1 1 ASP C C 13 177.892 0.2 . 1 . 644 . . 1 ASP C . 19461 1 5 . 1 1 1 1 ASP CA C 13 54.568 0.2 . 1 . 649 . . 1 ASP CA . 19461 1 6 . 1 1 1 1 ASP CB C 13 39.276 0.2 . 1 . 650 . . 1 ASP CB . 19461 1 7 . 1 1 1 1 ASP N N 15 120.889 0.2 . 1 . 643 . . 1 ASP N . 19461 1 8 . 1 1 2 2 ASN H H 1 8.045 0.03 . 1 . 389 . . 2 ASN H . 19461 1 9 . 1 1 2 2 ASN HA H 1 4.581 0.03 . 1 . 974 . . 2 ASN HA . 19461 1 10 . 1 1 2 2 ASN HB2 H 1 2.867 0.03 . 2 . 978 . . 2 ASN HB2 . 19461 1 11 . 1 1 2 2 ASN HB3 H 1 2.812 0.03 . 2 . 977 . . 2 ASN HB3 . 19461 1 12 . 1 1 2 2 ASN HD21 H 1 7.968 0.03 . 1 . 987 . . 2 ASN HD21 . 19461 1 13 . 1 1 2 2 ASN HD22 H 1 7.447 0.03 . 1 . 985 . . 2 ASN HD22 . 19461 1 14 . 1 1 2 2 ASN C C 13 179.360 0.2 . 1 . 391 . . 2 ASN C . 19461 1 15 . 1 1 2 2 ASN CA C 13 57.652 0.2 . 1 . 975 . . 2 ASN CA . 19461 1 16 . 1 1 2 2 ASN CB C 13 41.587 0.2 . 1 . 976 . . 2 ASN CB . 19461 1 17 . 1 1 2 2 ASN N N 15 119.511 0.2 . 1 . 390 . . 2 ASN N . 19461 1 18 . 1 1 2 2 ASN ND2 N 15 110.065 0.2 . 1 . 986 . . 2 ASN ND2 . 19461 1 19 . 1 1 3 3 GLN H H 1 8.230 0.03 . 1 . 384 . . 3 GLN H . 19461 1 20 . 1 1 3 3 GLN HA H 1 4.069 0.03 . 1 . 638 . . 3 GLN HA . 19461 1 21 . 1 1 3 3 GLN HB2 H 1 2.027 0.03 . 2 . 640 . . 3 GLN HB2 . 19461 1 22 . 1 1 3 3 GLN HB3 H 1 2.236 0.03 . 2 . 639 . . 3 GLN HB3 . 19461 1 23 . 1 1 3 3 GLN HG2 H 1 2.375 0.03 . 2 . 982 . . 3 GLN HG2 . 19461 1 24 . 1 1 3 3 GLN HG3 H 1 2.434 0.03 . 2 . 983 . . 3 GLN HG3 . 19461 1 25 . 1 1 3 3 GLN HE21 H 1 7.478 0.03 . 1 . 981 . . 3 GLN HE21 . 19461 1 26 . 1 1 3 3 GLN HE22 H 1 7.241 0.03 . 1 . 980 . . 3 GLN HE22 . 19461 1 27 . 1 1 3 3 GLN C C 13 179.143 0.2 . 1 . 388 . . 3 GLN C . 19461 1 28 . 1 1 3 3 GLN CA C 13 57.736 0.2 . 1 . 387 . . 3 GLN CA . 19461 1 29 . 1 1 3 3 GLN CB C 13 29.979 0.2 . 1 . 386 . . 3 GLN CB . 19461 1 30 . 1 1 3 3 GLN CG C 13 34.225 0.2 . 1 . 984 . . 3 GLN CG . 19461 1 31 . 1 1 3 3 GLN N N 15 121.441 0.2 . 1 . 385 . . 3 GLN N . 19461 1 32 . 1 1 3 3 GLN NE2 N 15 111.035 0.2 . 1 . 979 . . 3 GLN NE2 . 19461 1 33 . 1 1 4 4 LYS H H 1 8.177 0.03 . 1 . 379 . . 4 LYS H . 19461 1 34 . 1 1 4 4 LYS HA H 1 4.159 0.03 . 1 . 988 . . 4 LYS HA . 19461 1 35 . 1 1 4 4 LYS HB2 H 1 1.917 0.03 . 2 . 992 . . 4 LYS HB2 . 19461 1 36 . 1 1 4 4 LYS HB3 H 1 1.782 0.03 . 2 . 641 . . 4 LYS HB3 . 19461 1 37 . 1 1 4 4 LYS HG2 H 1 1.523 0.03 . 2 . 994 . . 4 LYS HG2 . 19461 1 38 . 1 1 4 4 LYS HG3 H 1 1.457 0.03 . 2 . 993 . . 4 LYS HG3 . 19461 1 39 . 1 1 4 4 LYS HD2 H 1 1.500 0.03 . 2 . 996 . . 4 LYS HD2 . 19461 1 40 . 1 1 4 4 LYS HD3 H 1 1.663 0.03 . 2 . 995 . . 4 LYS HD3 . 19461 1 41 . 1 1 4 4 LYS HE2 H 1 2.951 0.03 . 2 . 998 . . 4 LYS HE2 . 19461 1 42 . 1 1 4 4 LYS HE3 H 1 2.808 0.03 . 2 . 997 . . 4 LYS HE3 . 19461 1 43 . 1 1 4 4 LYS C C 13 177.084 0.2 . 1 . 383 . . 4 LYS C . 19461 1 44 . 1 1 4 4 LYS CA C 13 59.834 0.2 . 1 . 381 . . 4 LYS CA . 19461 1 45 . 1 1 4 4 LYS CB C 13 33.129 0.2 . 1 . 382 . . 4 LYS CB . 19461 1 46 . 1 1 4 4 LYS CG C 13 25.616 0.2 . 1 . 989 . . 4 LYS CG . 19461 1 47 . 1 1 4 4 LYS CD C 13 29.867 0.2 . 1 . 990 . . 4 LYS CD . 19461 1 48 . 1 1 4 4 LYS CE C 13 42.414 0.2 . 1 . 991 . . 4 LYS CE . 19461 1 49 . 1 1 4 4 LYS N N 15 121.215 0.2 . 1 . 380 . . 4 LYS N . 19461 1 50 . 1 1 5 5 ALA H H 1 8.117 0.03 . 1 . 365 . . 5 ALA H . 19461 1 51 . 1 1 5 5 ALA HA H 1 4.251 0.03 . 1 . 473 . . 5 ALA HA . 19461 1 52 . 1 1 5 5 ALA HB1 H 1 1.424 0.03 . 1 . 472 . . 5 ALA HB1 . 19461 1 53 . 1 1 5 5 ALA HB2 H 1 1.424 0.03 . 1 . 472 . . 5 ALA HB2 . 19461 1 54 . 1 1 5 5 ALA HB3 H 1 1.424 0.03 . 1 . 472 . . 5 ALA HB3 . 19461 1 55 . 1 1 5 5 ALA C C 13 178.737 0.2 . 1 . 369 . . 5 ALA C . 19461 1 56 . 1 1 5 5 ALA CA C 13 53.744 0.2 . 1 . 367 . . 5 ALA CA . 19461 1 57 . 1 1 5 5 ALA CB C 13 19.298 0.2 . 1 . 368 . . 5 ALA CB . 19461 1 58 . 1 1 5 5 ALA N N 15 123.624 0.2 . 1 . 366 . . 5 ALA N . 19461 1 59 . 1 1 6 6 LEU H H 1 8.038 0.03 . 1 . 370 . . 6 LEU H . 19461 1 60 . 1 1 6 6 LEU HA H 1 4.239 0.03 . 1 . 523 . . 6 LEU HA . 19461 1 61 . 1 1 6 6 LEU HB2 H 1 1.701 0.03 . 2 . 1002 . . 6 LEU HB2 . 19461 1 62 . 1 1 6 6 LEU HB3 H 1 1.621 0.03 . 2 . 1001 . . 6 LEU HB3 . 19461 1 63 . 1 1 6 6 LEU HG H 1 1.665 0.03 . 1 . 1003 . . 6 LEU HG . 19461 1 64 . 1 1 6 6 LEU HD11 H 1 0.880 0.03 . 2 . 524 . . 6 LEU HD11 . 19461 1 65 . 1 1 6 6 LEU HD12 H 1 0.880 0.03 . 2 . 524 . . 6 LEU HD12 . 19461 1 66 . 1 1 6 6 LEU HD13 H 1 0.880 0.03 . 2 . 524 . . 6 LEU HD13 . 19461 1 67 . 1 1 6 6 LEU HD21 H 1 0.864 0.03 . 2 . 1006 . . 6 LEU HD21 . 19461 1 68 . 1 1 6 6 LEU HD22 H 1 0.864 0.03 . 2 . 1006 . . 6 LEU HD22 . 19461 1 69 . 1 1 6 6 LEU HD23 H 1 0.864 0.03 . 2 . 1006 . . 6 LEU HD23 . 19461 1 70 . 1 1 6 6 LEU C C 13 178.361 0.2 . 1 . 374 . . 6 LEU C . 19461 1 71 . 1 1 6 6 LEU CA C 13 56.703 0.2 . 1 . 373 . . 6 LEU CA . 19461 1 72 . 1 1 6 6 LEU CB C 13 42.489 0.2 . 1 . 372 . . 6 LEU CB . 19461 1 73 . 1 1 6 6 LEU CG C 13 27.719 0.2 . 1 . 1005 . . 6 LEU CG . 19461 1 74 . 1 1 6 6 LEU CD1 C 13 24.132 0.2 . 2 . 1000 . . 6 LEU CD1 . 19461 1 75 . 1 1 6 6 LEU CD2 C 13 25.336 0.2 . 2 . 999 . . 6 LEU CD2 . 19461 1 76 . 1 1 6 6 LEU N N 15 120.568 0.2 . 1 . 371 . . 6 LEU N . 19461 1 77 . 1 1 7 7 GLU H H 1 8.279 0.03 . 1 . 375 . . 7 GLU H . 19461 1 78 . 1 1 7 7 GLU HA H 1 4.154 0.03 . 1 . 610 . . 7 GLU HA . 19461 1 79 . 1 1 7 7 GLU HB3 H 1 2.053 0.03 . 1 . 612 . . 7 GLU HB3 . 19461 1 80 . 1 1 7 7 GLU HG3 H 1 2.317 0.03 . 1 . 611 . . 7 GLU HG3 . 19461 1 81 . 1 1 7 7 GLU C C 13 177.574 0.2 . 1 . 440 . . 7 GLU C . 19461 1 82 . 1 1 7 7 GLU CA C 13 58.233 0.2 . 1 . 377 . . 7 GLU CA . 19461 1 83 . 1 1 7 7 GLU CB C 13 30.436 0.2 . 1 . 378 . . 7 GLU CB . 19461 1 84 . 1 1 7 7 GLU N N 15 120.525 0.2 . 1 . 376 . . 7 GLU N . 19461 1 85 . 1 1 8 8 GLU H H 1 8.222 0.03 . 1 . 436 . . 8 GLU H . 19461 1 86 . 1 1 8 8 GLU HA H 1 4.217 0.03 . 1 . 615 . . 8 GLU HA . 19461 1 87 . 1 1 8 8 GLU HB3 H 1 1.903 0.03 . 1 . 614 . . 8 GLU HB3 . 19461 1 88 . 1 1 8 8 GLU HG3 H 1 2.330 0.03 . 1 . 613 . . 8 GLU HG3 . 19461 1 89 . 1 1 8 8 GLU C C 13 176.974 0.2 . 1 . 441 . . 8 GLU C . 19461 1 90 . 1 1 8 8 GLU CA C 13 57.243 0.2 . 1 . 439 . . 8 GLU CA . 19461 1 91 . 1 1 8 8 GLU CB C 13 29.557 0.2 . 1 . 438 . . 8 GLU CB . 19461 1 92 . 1 1 8 8 GLU N N 15 120.507 0.2 . 1 . 437 . . 8 GLU N . 19461 1 93 . 1 1 9 9 GLN H H 1 8.262 0.03 . 1 . 443 . . 9 GLN H . 19461 1 94 . 1 1 9 9 GLN HA H 1 4.419 0.03 . 1 . 616 . . 9 GLN HA . 19461 1 95 . 1 1 9 9 GLN HB2 H 1 2.654 0.03 . 2 . 1012 . . 9 GLN HB2 . 19461 1 96 . 1 1 9 9 GLN HB3 H 1 2.564 0.03 . 2 . 1011 . . 9 GLN HB3 . 19461 1 97 . 1 1 9 9 GLN HG2 H 1 1.829 0.03 . 2 . 1008 . . 9 GLN HG2 . 19461 1 98 . 1 1 9 9 GLN HG3 H 1 2.120 0.03 . 2 . 1009 . . 9 GLN HG3 . 19461 1 99 . 1 1 9 9 GLN HE21 H 1 7.005 0.03 . 1 . 657 . . 9 GLN HE21 . 19461 1 100 . 1 1 9 9 GLN HE22 H 1 7.372 0.03 . 1 . 656 . . 9 GLN HE22 . 19461 1 101 . 1 1 9 9 GLN C C 13 176.571 0.2 . 1 . 446 . . 9 GLN C . 19461 1 102 . 1 1 9 9 GLN CA C 13 56.809 0.2 . 1 . 442 . . 9 GLN CA . 19461 1 103 . 1 1 9 9 GLN CB C 13 32.331 0.2 . 1 . 1010 . . 9 GLN CB . 19461 1 104 . 1 1 9 9 GLN CG C 13 33.500 0.2 . 1 . 1007 . . 9 GLN CG . 19461 1 105 . 1 1 9 9 GLN N N 15 119.836 0.2 . 1 . 444 . . 9 GLN N . 19461 1 106 . 1 1 9 9 GLN NE2 N 15 109.635 0.2 . 1 . 655 . . 9 GLN NE2 . 19461 1 107 . 1 1 10 10 MET H H 1 8.351 0.03 . 1 . 447 . . 10 MET H . 19461 1 108 . 1 1 10 10 MET C C 13 174.701 0.2 . 1 . 449 . . 10 MET C . 19461 1 109 . 1 1 10 10 MET N N 15 114.147 0.2 . 1 . 448 . . 10 MET N . 19461 1 110 . 1 1 11 11 ASN H H 1 8.480 0.03 . 1 . 430 . . 11 ASN H . 19461 1 111 . 1 1 11 11 ASN HA H 1 4.387 0.03 . 1 . 1044 . . 11 ASN HA . 19461 1 112 . 1 1 11 11 ASN HB2 H 1 2.845 0.03 . 2 . 1045 . . 11 ASN HB2 . 19461 1 113 . 1 1 11 11 ASN HB3 H 1 2.925 0.03 . 2 . 1046 . . 11 ASN HB3 . 19461 1 114 . 1 1 11 11 ASN HD21 H 1 7.750 0.03 . 1 . 970 . . 11 ASN HD21 . 19461 1 115 . 1 1 11 11 ASN HD22 H 1 6.977 0.03 . 1 . 968 . . 11 ASN HD22 . 19461 1 116 . 1 1 11 11 ASN C C 13 178.432 0.2 . 1 . 434 . . 11 ASN C . 19461 1 117 . 1 1 11 11 ASN CA C 13 56.938 0.2 . 1 . 433 . . 11 ASN CA . 19461 1 118 . 1 1 11 11 ASN CB C 13 38.569 0.2 . 1 . 432 . . 11 ASN CB . 19461 1 119 . 1 1 11 11 ASN N N 15 119.179 0.2 . 1 . 431 . . 11 ASN N . 19461 1 120 . 1 1 11 11 ASN ND2 N 15 112.647 0.2 . 1 . 969 . . 11 ASN ND2 . 19461 1 121 . 1 1 12 12 SER H H 1 7.976 0.03 . 1 . 360 . . 12 SER H . 19461 1 122 . 1 1 12 12 SER HA H 1 4.434 0.03 . 1 . 457 . . 12 SER HA . 19461 1 123 . 1 1 12 12 SER HB2 H 1 4.204 0.03 . 2 . 932 . . 12 SER HB2 . 19461 1 124 . 1 1 12 12 SER HB3 H 1 4.152 0.03 . 2 . 458 . . 12 SER HB3 . 19461 1 125 . 1 1 12 12 SER C C 13 177.256 0.2 . 1 . 364 . . 12 SER C . 19461 1 126 . 1 1 12 12 SER CA C 13 62.004 0.2 . 1 . 362 . . 12 SER CA . 19461 1 127 . 1 1 12 12 SER CB C 13 63.610 0.2 . 1 . 363 . . 12 SER CB . 19461 1 128 . 1 1 12 12 SER N N 15 114.706 0.2 . 1 . 361 . . 12 SER N . 19461 1 129 . 1 1 13 13 ILE H H 1 7.999 0.03 . 1 . 355 . . 13 ILE H . 19461 1 130 . 1 1 13 13 ILE HA H 1 3.701 0.03 . 1 . 618 . . 13 ILE HA . 19461 1 131 . 1 1 13 13 ILE HB H 1 2.050 0.03 . 1 . 617 . . 13 ILE HB . 19461 1 132 . 1 1 13 13 ILE HG13 H 1 1.231 0.03 . 1 . 929 . . 13 ILE HG13 . 19461 1 133 . 1 1 13 13 ILE HG21 H 1 0.716 0.03 . 1 . 619 . . 13 ILE HG21 . 19461 1 134 . 1 1 13 13 ILE HG22 H 1 0.716 0.03 . 1 . 619 . . 13 ILE HG22 . 19461 1 135 . 1 1 13 13 ILE HG23 H 1 0.716 0.03 . 1 . 619 . . 13 ILE HG23 . 19461 1 136 . 1 1 13 13 ILE HD11 H 1 0.675 0.03 . 1 . 931 . . 13 ILE HD11 . 19461 1 137 . 1 1 13 13 ILE HD12 H 1 0.675 0.03 . 1 . 931 . . 13 ILE HD12 . 19461 1 138 . 1 1 13 13 ILE HD13 H 1 0.675 0.03 . 1 . 931 . . 13 ILE HD13 . 19461 1 139 . 1 1 13 13 ILE C C 13 177.293 0.2 . 1 . 359 . . 13 ILE C . 19461 1 140 . 1 1 13 13 ILE CA C 13 64.643 0.2 . 1 . 357 . . 13 ILE CA . 19461 1 141 . 1 1 13 13 ILE CB C 13 37.617 0.2 . 1 . 358 . . 13 ILE CB . 19461 1 142 . 1 1 13 13 ILE CG1 C 13 29.826 0.2 . 1 . 926 . . 13 ILE CG1 . 19461 1 143 . 1 1 13 13 ILE CG2 C 13 18.835 0.2 . 1 . 927 . . 13 ILE CG2 . 19461 1 144 . 1 1 13 13 ILE CD1 C 13 12.962 0.2 . 1 . 928 . . 13 ILE CD1 . 19461 1 145 . 1 1 13 13 ILE N N 15 122.583 0.2 . 1 . 356 . . 13 ILE N . 19461 1 146 . 1 1 14 14 ASN H H 1 8.480 0.03 . 1 . 350 . . 14 ASN H . 19461 1 147 . 1 1 14 14 ASN HA H 1 4.590 0.03 . 1 . 924 . . 14 ASN HA . 19461 1 148 . 1 1 14 14 ASN HB2 H 1 2.992 0.03 . 2 . 925 . . 14 ASN HB2 . 19461 1 149 . 1 1 14 14 ASN HB3 H 1 2.962 0.03 . 2 . 620 . . 14 ASN HB3 . 19461 1 150 . 1 1 14 14 ASN HD21 H 1 7.964 0.03 . 1 . 660 . . 14 ASN HD21 . 19461 1 151 . 1 1 14 14 ASN HD22 H 1 7.452 0.03 . 1 . 659 . . 14 ASN HD22 . 19461 1 152 . 1 1 14 14 ASN C C 13 178.453 0.2 . 1 . 352 . . 14 ASN C . 19461 1 153 . 1 1 14 14 ASN CA C 13 56.803 0.2 . 1 . 353 . . 14 ASN CA . 19461 1 154 . 1 1 14 14 ASN CB C 13 38.122 0.2 . 1 . 354 . . 14 ASN CB . 19461 1 155 . 1 1 14 14 ASN N N 15 118.387 0.2 . 1 . 351 . . 14 ASN N . 19461 1 156 . 1 1 14 14 ASN ND2 N 15 110.456 0.2 . 1 . 658 . . 14 ASN ND2 . 19461 1 157 . 1 1 15 15 SER H H 1 8.363 0.03 . 1 . 345 . . 15 SER H . 19461 1 158 . 1 1 15 15 SER HA H 1 4.427 0.03 . 1 . 921 . . 15 SER HA . 19461 1 159 . 1 1 15 15 SER HB2 H 1 4.201 0.03 . 2 . 923 . . 15 SER HB2 . 19461 1 160 . 1 1 15 15 SER HB3 H 1 4.277 0.03 . 2 . 922 . . 15 SER HB3 . 19461 1 161 . 1 1 15 15 SER C C 13 177.454 0.2 . 1 . 349 . . 15 SER C . 19461 1 162 . 1 1 15 15 SER CA C 13 62.210 0.2 . 1 . 347 . . 15 SER CA . 19461 1 163 . 1 1 15 15 SER CB C 13 63.445 0.2 . 1 . 348 . . 15 SER CB . 19461 1 164 . 1 1 15 15 SER N N 15 116.598 0.2 . 1 . 346 . . 15 SER N . 19461 1 165 . 1 1 16 16 VAL H H 1 7.921 0.03 . 1 . 338 . . 16 VAL H . 19461 1 166 . 1 1 16 16 VAL HA H 1 3.829 0.03 . 1 . 476 . . 16 VAL HA . 19461 1 167 . 1 1 16 16 VAL HB H 1 2.316 0.03 . 1 . 477 . . 16 VAL HB . 19461 1 168 . 1 1 16 16 VAL HG11 H 1 0.876 0.03 . 2 . 479 . . 16 VAL HG11 . 19461 1 169 . 1 1 16 16 VAL HG12 H 1 0.876 0.03 . 2 . 479 . . 16 VAL HG12 . 19461 1 170 . 1 1 16 16 VAL HG13 H 1 0.876 0.03 . 2 . 479 . . 16 VAL HG13 . 19461 1 171 . 1 1 16 16 VAL HG21 H 1 1.231 0.03 . 2 . 478 . . 16 VAL HG21 . 19461 1 172 . 1 1 16 16 VAL HG22 H 1 1.231 0.03 . 2 . 478 . . 16 VAL HG22 . 19461 1 173 . 1 1 16 16 VAL HG23 H 1 1.231 0.03 . 2 . 478 . . 16 VAL HG23 . 19461 1 174 . 1 1 16 16 VAL C C 13 177.546 0.2 . 1 . 344 . . 16 VAL C . 19461 1 175 . 1 1 16 16 VAL CA C 13 66.859 0.2 . 1 . 342 . . 16 VAL CA . 19461 1 176 . 1 1 16 16 VAL CB C 13 31.762 0.2 . 1 . 343 . . 16 VAL CB . 19461 1 177 . 1 1 16 16 VAL CG1 C 13 21.818 0.2 . 2 . 920 . . 16 VAL CG1 . 19461 1 178 . 1 1 16 16 VAL CG2 C 13 24.034 0.2 . 2 . 919 . . 16 VAL CG2 . 19461 1 179 . 1 1 16 16 VAL N N 15 123.064 0.2 . 1 . 340 . . 16 VAL N . 19461 1 180 . 1 1 17 17 ASN H H 1 8.303 0.03 . 1 . 333 . . 17 ASN H . 19461 1 181 . 1 1 17 17 ASN HA H 1 4.480 0.03 . 1 . 918 . . 17 ASN HA . 19461 1 182 . 1 1 17 17 ASN HB2 H 1 2.839 0.03 . 1 . 934 . . 17 ASN HB2 . 19461 1 183 . 1 1 17 17 ASN HB3 H 1 2.968 0.03 . 1 . 935 . . 17 ASN HB3 . 19461 1 184 . 1 1 17 17 ASN HD21 H 1 7.915 0.03 . 1 . 949 . . 17 ASN HD21 . 19461 1 185 . 1 1 17 17 ASN HD22 H 1 7.461 0.03 . 1 . 947 . . 17 ASN HD22 . 19461 1 186 . 1 1 17 17 ASN C C 13 179.082 0.2 . 1 . 337 . . 17 ASN C . 19461 1 187 . 1 1 17 17 ASN CA C 13 56.617 0.2 . 1 . 335 . . 17 ASN CA . 19461 1 188 . 1 1 17 17 ASN CB C 13 38.282 0.2 . 1 . 336 . . 17 ASN CB . 19461 1 189 . 1 1 17 17 ASN N N 15 119.613 0.2 . 1 . 334 . . 17 ASN N . 19461 1 190 . 1 1 17 17 ASN ND2 N 15 109.896 0.2 . 1 . 948 . . 17 ASN ND2 . 19461 1 191 . 1 1 18 18 ASP H H 1 7.559 0.03 . 1 . 328 . . 18 ASP H . 19461 1 192 . 1 1 18 18 ASP HA H 1 4.606 0.03 . 1 . 504 . . 18 ASP HA . 19461 1 193 . 1 1 18 18 ASP HB2 H 1 2.862 0.03 . 2 . 917 . . 18 ASP HB2 . 19461 1 194 . 1 1 18 18 ASP HB3 H 1 2.809 0.03 . 2 . 916 . . 18 ASP HB3 . 19461 1 195 . 1 1 18 18 ASP C C 13 178.484 0.2 . 1 . 332 . . 18 ASP C . 19461 1 196 . 1 1 18 18 ASP CA C 13 57.720 0.2 . 1 . 330 . . 18 ASP CA . 19461 1 197 . 1 1 18 18 ASP CB C 13 41.554 0.2 . 1 . 331 . . 18 ASP CB . 19461 1 198 . 1 1 18 18 ASP N N 15 118.122 0.2 . 1 . 329 . . 18 ASP N . 19461 1 199 . 1 1 19 19 LYS H H 1 7.816 0.03 . 1 . 323 . . 19 LYS H . 19461 1 200 . 1 1 19 19 LYS HA H 1 4.239 0.03 . 1 . 560 . . 19 LYS HA . 19461 1 201 . 1 1 19 19 LYS HB2 H 1 2.159 0.03 . 2 . 561 . . 19 LYS HB2 . 19461 1 202 . 1 1 19 19 LYS HB3 H 1 1.975 0.03 . 2 . 562 . . 19 LYS HB3 . 19461 1 203 . 1 1 19 19 LYS HG2 H 1 1.864 0.03 . 2 . 1017 . . 19 LYS HG2 . 19461 1 204 . 1 1 19 19 LYS HG3 H 1 1.715 0.03 . 2 . 1016 . . 19 LYS HG3 . 19461 1 205 . 1 1 19 19 LYS HD2 H 1 1.860 0.03 . 2 . 1018 . . 19 LYS HD2 . 19461 1 206 . 1 1 19 19 LYS HD3 H 1 1.958 0.03 . 2 . 1019 . . 19 LYS HD3 . 19461 1 207 . 1 1 19 19 LYS HE2 H 1 3.136 0.03 . 2 . 1021 . . 19 LYS HE2 . 19461 1 208 . 1 1 19 19 LYS HE3 H 1 3.088 0.03 . 2 . 1020 . . 19 LYS HE3 . 19461 1 209 . 1 1 19 19 LYS C C 13 178.460 0.2 . 1 . 327 . . 19 LYS C . 19461 1 210 . 1 1 19 19 LYS CA C 13 58.866 0.2 . 1 . 326 . . 19 LYS CA . 19461 1 211 . 1 1 19 19 LYS CB C 13 33.534 0.2 . 1 . 325 . . 19 LYS CB . 19461 1 212 . 1 1 19 19 LYS CG C 13 26.186 0.2 . 1 . 1015 . . 19 LYS CG . 19461 1 213 . 1 1 19 19 LYS CD C 13 29.791 0.2 . 1 . 1014 . . 19 LYS CD . 19461 1 214 . 1 1 19 19 LYS CE C 13 42.712 0.2 . 1 . 1013 . . 19 LYS CE . 19461 1 215 . 1 1 19 19 LYS N N 15 118.986 0.2 . 1 . 324 . . 19 LYS N . 19461 1 216 . 1 1 20 20 LEU H H 1 7.837 0.03 . 1 . 318 . . 20 LEU H . 19461 1 217 . 1 1 20 20 LEU HA H 1 4.219 0.03 . 1 . 525 . . 20 LEU HA . 19461 1 218 . 1 1 20 20 LEU HB2 H 1 1.700 0.03 . 2 . 526 . . 20 LEU HB2 . 19461 1 219 . 1 1 20 20 LEU HB3 H 1 1.631 0.03 . 2 . 914 . . 20 LEU HB3 . 19461 1 220 . 1 1 20 20 LEU HG H 1 1.336 0.03 . 1 . 527 . . 20 LEU HG . 19461 1 221 . 1 1 20 20 LEU HD21 H 1 0.004 0.03 . 1 . 915 . . 20 LEU HD21 . 19461 1 222 . 1 1 20 20 LEU HD22 H 1 0.004 0.03 . 1 . 915 . . 20 LEU HD22 . 19461 1 223 . 1 1 20 20 LEU HD23 H 1 0.004 0.03 . 1 . 915 . . 20 LEU HD23 . 19461 1 224 . 1 1 20 20 LEU C C 13 176.723 0.2 . 1 . 322 . . 20 LEU C . 19461 1 225 . 1 1 20 20 LEU CA C 13 55.415 0.2 . 1 . 320 . . 20 LEU CA . 19461 1 226 . 1 1 20 20 LEU CB C 13 42.390 0.2 . 1 . 321 . . 20 LEU CB . 19461 1 227 . 1 1 20 20 LEU CG C 13 26.397 0.2 . 1 . 912 . . 20 LEU CG . 19461 1 228 . 1 1 20 20 LEU CD2 C 13 22.009 0.2 . 1 . 913 . . 20 LEU CD2 . 19461 1 229 . 1 1 20 20 LEU N N 15 116.155 0.2 . 1 . 319 . . 20 LEU N . 19461 1 230 . 1 1 21 21 ASN H H 1 7.327 0.03 . 1 . 313 . . 21 ASN H . 19461 1 231 . 1 1 21 21 ASN HA H 1 4.813 0.03 . 1 . 621 . . 21 ASN HA . 19461 1 232 . 1 1 21 21 ASN HB2 H 1 2.911 0.03 . 1 . 622 . . 21 ASN HB2 . 19461 1 233 . 1 1 21 21 ASN HB3 H 1 3.154 0.03 . 1 . 623 . . 21 ASN HB3 . 19461 1 234 . 1 1 21 21 ASN HD21 H 1 7.696 0.03 . 1 . 663 . . 21 ASN HD21 . 19461 1 235 . 1 1 21 21 ASN HD22 H 1 6.873 0.03 . 1 . 662 . . 21 ASN HD22 . 19461 1 236 . 1 1 21 21 ASN C C 13 175.544 0.2 . 1 . 315 . . 21 ASN C . 19461 1 237 . 1 1 21 21 ASN CA C 13 53.340 0.2 . 1 . 316 . . 21 ASN CA . 19461 1 238 . 1 1 21 21 ASN CB C 13 38.080 0.2 . 1 . 317 . . 21 ASN CB . 19461 1 239 . 1 1 21 21 ASN N N 15 117.429 0.2 . 1 . 314 . . 21 ASN N . 19461 1 240 . 1 1 21 21 ASN ND2 N 15 110.883 0.2 . 1 . 661 . . 21 ASN ND2 . 19461 1 241 . 1 1 22 22 LYS H H 1 8.171 0.03 . 1 . 308 . . 22 LYS H . 19461 1 242 . 1 1 22 22 LYS HA H 1 4.521 0.03 . 1 . 556 . . 22 LYS HA . 19461 1 243 . 1 1 22 22 LYS HB2 H 1 1.790 0.03 . 1 . 558 . . 22 LYS HB2 . 19461 1 244 . 1 1 22 22 LYS HB3 H 1 2.137 0.03 . 1 . 557 . . 22 LYS HB3 . 19461 1 245 . 1 1 22 22 LYS HG2 H 1 1.382 0.03 . 2 . 908 . . 22 LYS HG2 . 19461 1 246 . 1 1 22 22 LYS HG3 H 1 1.402 0.03 . 2 . 559 . . 22 LYS HG3 . 19461 1 247 . 1 1 22 22 LYS HD3 H 1 1.754 0.03 . 1 . 909 . . 22 LYS HD3 . 19461 1 248 . 1 1 22 22 LYS HE2 H 1 3.086 0.03 . 2 . 910 . . 22 LYS HE2 . 19461 1 249 . 1 1 22 22 LYS HE3 H 1 3.137 0.03 . 2 . 911 . . 22 LYS HE3 . 19461 1 250 . 1 1 22 22 LYS C C 13 177.437 0.2 . 1 . 312 . . 22 LYS C . 19461 1 251 . 1 1 22 22 LYS CA C 13 56.713 0.2 . 1 . 310 . . 22 LYS CA . 19461 1 252 . 1 1 22 22 LYS CB C 13 33.517 0.2 . 1 . 311 . . 22 LYS CB . 19461 1 253 . 1 1 22 22 LYS CG C 13 26.161 0.2 . 1 . 906 . . 22 LYS CG . 19461 1 254 . 1 1 22 22 LYS CD C 13 30.106 0.2 . 1 . 905 . . 22 LYS CD . 19461 1 255 . 1 1 22 22 LYS CE C 13 42.802 0.2 . 1 . 907 . . 22 LYS CE . 19461 1 256 . 1 1 22 22 LYS N N 15 122.910 0.2 . 1 . 309 . . 22 LYS N . 19461 1 257 . 1 1 23 23 GLY H H 1 8.494 0.03 . 1 . 304 . . 23 GLY H . 19461 1 258 . 1 1 23 23 GLY HA2 H 1 4.159 0.03 . 2 . 456 . . 23 GLY HA2 . 19461 1 259 . 1 1 23 23 GLY HA3 H 1 3.992 0.03 . 2 . 904 . . 23 GLY HA3 . 19461 1 260 . 1 1 23 23 GLY C C 13 174.302 0.2 . 1 . 307 . . 23 GLY C . 19461 1 261 . 1 1 23 23 GLY CA C 13 46.067 0.2 . 1 . 306 . . 23 GLY CA . 19461 1 262 . 1 1 23 23 GLY N N 15 109.062 0.2 . 1 . 305 . . 23 GLY N . 19461 1 263 . 1 1 24 24 LYS H H 1 8.843 0.03 . 1 . 299 . . 24 LYS H . 19461 1 264 . 1 1 24 24 LYS HA H 1 4.327 0.03 . 1 . 552 . . 24 LYS HA . 19461 1 265 . 1 1 24 24 LYS HB2 H 1 1.490 0.03 . 1 . 555 . . 24 LYS HB2 . 19461 1 266 . 1 1 24 24 LYS HB3 H 1 1.752 0.03 . 1 . 896 . . 24 LYS HB3 . 19461 1 267 . 1 1 24 24 LYS HG2 H 1 1.233 0.03 . 2 . 900 . . 24 LYS HG2 . 19461 1 268 . 1 1 24 24 LYS HG3 H 1 1.153 0.03 . 2 . 554 . . 24 LYS HG3 . 19461 1 269 . 1 1 24 24 LYS HD2 H 1 1.357 0.03 . 2 . 901 . . 24 LYS HD2 . 19461 1 270 . 1 1 24 24 LYS HD3 H 1 1.783 0.03 . 2 . 553 . . 24 LYS HD3 . 19461 1 271 . 1 1 24 24 LYS HE3 H 1 2.592 0.03 . 1 . 902 . . 24 LYS HE3 . 19461 1 272 . 1 1 24 24 LYS C C 13 177.157 0.2 . 1 . 303 . . 24 LYS C . 19461 1 273 . 1 1 24 24 LYS CA C 13 56.645 0.2 . 1 . 301 . . 24 LYS CA . 19461 1 274 . 1 1 24 24 LYS CB C 13 32.134 0.2 . 1 . 302 . . 24 LYS CB . 19461 1 275 . 1 1 24 24 LYS CG C 13 25.363 0.2 . 1 . 899 . . 24 LYS CG . 19461 1 276 . 1 1 24 24 LYS CD C 13 29.219 0.2 . 1 . 898 . . 24 LYS CD . 19461 1 277 . 1 1 24 24 LYS CE C 13 42.172 0.2 . 1 . 897 . . 24 LYS CE . 19461 1 278 . 1 1 24 24 LYS N N 15 123.254 0.2 . 1 . 300 . . 24 LYS N . 19461 1 279 . 1 1 25 25 GLY H H 1 8.463 0.03 . 1 . 295 . . 25 GLY H . 19461 1 280 . 1 1 25 25 GLY HA2 H 1 3.416 0.03 . 2 . 460 . . 25 GLY HA2 . 19461 1 281 . 1 1 25 25 GLY HA3 H 1 4.347 0.03 . 2 . 459 . . 25 GLY HA3 . 19461 1 282 . 1 1 25 25 GLY C C 13 172.884 0.2 . 1 . 298 . . 25 GLY C . 19461 1 283 . 1 1 25 25 GLY CA C 13 46.680 0.2 . 1 . 297 . . 25 GLY CA . 19461 1 284 . 1 1 25 25 GLY N N 15 111.973 0.2 . 1 . 296 . . 25 GLY N . 19461 1 285 . 1 1 26 26 LYS H H 1 8.234 0.03 . 1 . 290 . . 26 LYS H . 19461 1 286 . 1 1 26 26 LYS HA H 1 4.886 0.03 . 1 . 551 . . 26 LYS HA . 19461 1 287 . 1 1 26 26 LYS HB2 H 1 1.742 0.03 . 1 . 890 . . 26 LYS HB2 . 19461 1 288 . 1 1 26 26 LYS HB3 H 1 1.618 0.03 . 1 . 889 . . 26 LYS HB3 . 19461 1 289 . 1 1 26 26 LYS HG2 H 1 1.255 0.03 . 2 . 892 . . 26 LYS HG2 . 19461 1 290 . 1 1 26 26 LYS HG3 H 1 1.133 0.03 . 2 . 891 . . 26 LYS HG3 . 19461 1 291 . 1 1 26 26 LYS HD3 H 1 1.530 0.03 . 1 . 893 . . 26 LYS HD3 . 19461 1 292 . 1 1 26 26 LYS HE2 H 1 2.889 0.03 . 2 . 895 . . 26 LYS HE2 . 19461 1 293 . 1 1 26 26 LYS HE3 H 1 2.709 0.03 . 2 . 894 . . 26 LYS HE3 . 19461 1 294 . 1 1 26 26 LYS C C 13 173.879 0.2 . 1 . 294 . . 26 LYS C . 19461 1 295 . 1 1 26 26 LYS CA C 13 55.267 0.2 . 1 . 293 . . 26 LYS CA . 19461 1 296 . 1 1 26 26 LYS CB C 13 34.680 0.2 . 1 . 292 . . 26 LYS CB . 19461 1 297 . 1 1 26 26 LYS CG C 13 25.198 0.2 . 1 . 887 . . 26 LYS CG . 19461 1 298 . 1 1 26 26 LYS CD C 13 29.453 0.2 . 1 . 886 . . 26 LYS CD . 19461 1 299 . 1 1 26 26 LYS CE C 13 42.913 0.2 . 1 . 888 . . 26 LYS CE . 19461 1 300 . 1 1 26 26 LYS N N 15 125.856 0.2 . 1 . 291 . . 26 LYS N . 19461 1 301 . 1 1 27 27 LEU H H 1 8.617 0.03 . 1 . 1059 . . 27 LEU H . 19461 1 302 . 1 1 27 27 LEU HA H 1 4.632 0.03 . 1 . 528 . . 27 LEU HA . 19461 1 303 . 1 1 27 27 LEU HB2 H 1 1.697 0.03 . 1 . 1062 . . 27 LEU HB2 . 19461 1 304 . 1 1 27 27 LEU HB3 H 1 0.961 0.03 . 1 . 1061 . . 27 LEU HB3 . 19461 1 305 . 1 1 27 27 LEU HG H 1 1.138 0.03 . 1 . 882 . . 27 LEU HG . 19461 1 306 . 1 1 27 27 LEU HD11 H 1 0.605 0.03 . 2 . 884 . . 27 LEU HD11 . 19461 1 307 . 1 1 27 27 LEU HD12 H 1 0.605 0.03 . 2 . 884 . . 27 LEU HD12 . 19461 1 308 . 1 1 27 27 LEU HD13 H 1 0.605 0.03 . 2 . 884 . . 27 LEU HD13 . 19461 1 309 . 1 1 27 27 LEU HD21 H 1 0.342 0.03 . 2 . 883 . . 27 LEU HD21 . 19461 1 310 . 1 1 27 27 LEU HD22 H 1 0.342 0.03 . 2 . 883 . . 27 LEU HD22 . 19461 1 311 . 1 1 27 27 LEU HD23 H 1 0.342 0.03 . 2 . 883 . . 27 LEU HD23 . 19461 1 312 . 1 1 27 27 LEU C C 13 174.149 0.2 . 1 . 289 . . 27 LEU C . 19461 1 313 . 1 1 27 27 LEU CA C 13 53.724 0.2 . 1 . 288 . . 27 LEU CA . 19461 1 314 . 1 1 27 27 LEU CB C 13 45.447 0.2 . 1 . 287 . . 27 LEU CB . 19461 1 315 . 1 1 27 27 LEU CG C 13 27.670 0.2 . 1 . 880 . . 27 LEU CG . 19461 1 316 . 1 1 27 27 LEU CD1 C 13 24.577 0.2 . 2 . 881 . . 27 LEU CD1 . 19461 1 317 . 1 1 27 27 LEU CD2 C 13 27.250 0.2 . 2 . 885 . . 27 LEU CD2 . 19461 1 318 . 1 1 27 27 LEU N N 15 128.875 0.2 . 1 . 1060 . . 27 LEU N . 19461 1 319 . 1 1 28 28 SER H H 1 8.480 0.03 . 1 . 283 . . 28 SER H . 19461 1 320 . 1 1 28 28 SER HA H 1 4.698 0.03 . 1 . 492 . . 28 SER HA . 19461 1 321 . 1 1 28 28 SER HB2 H 1 3.530 0.03 . 1 . 493 . . 28 SER HB2 . 19461 1 322 . 1 1 28 28 SER HB3 H 1 3.429 0.03 . 1 . 879 . . 28 SER HB3 . 19461 1 323 . 1 1 28 28 SER C C 13 173.646 0.2 . 1 . 284 . . 28 SER C . 19461 1 324 . 1 1 28 28 SER CA C 13 56.940 0.2 . 1 . 286 . . 28 SER CA . 19461 1 325 . 1 1 28 28 SER CB C 13 64.732 0.2 . 1 . 285 . . 28 SER CB . 19461 1 326 . 1 1 28 28 SER N N 15 119.047 0.2 . 1 . 282 . . 28 SER N . 19461 1 327 . 1 1 29 29 LEU H H 1 9.880 0.03 . 1 . 277 . . 29 LEU H . 19461 1 328 . 1 1 29 29 LEU HA H 1 5.258 0.03 . 1 . 531 . . 29 LEU HA . 19461 1 329 . 1 1 29 29 LEU HB2 H 1 1.264 0.03 . 1 . 872 . . 29 LEU HB2 . 19461 1 330 . 1 1 29 29 LEU HB3 H 1 1.784 0.03 . 1 . 532 . . 29 LEU HB3 . 19461 1 331 . 1 1 29 29 LEU HG H 1 1.508 0.03 . 1 . 533 . . 29 LEU HG . 19461 1 332 . 1 1 29 29 LEU HD11 H 1 0.696 0.03 . 2 . 878 . . 29 LEU HD11 . 19461 1 333 . 1 1 29 29 LEU HD12 H 1 0.696 0.03 . 2 . 878 . . 29 LEU HD12 . 19461 1 334 . 1 1 29 29 LEU HD13 H 1 0.696 0.03 . 2 . 878 . . 29 LEU HD13 . 19461 1 335 . 1 1 29 29 LEU HD21 H 1 0.738 0.03 . 2 . 876 . . 29 LEU HD21 . 19461 1 336 . 1 1 29 29 LEU HD22 H 1 0.738 0.03 . 2 . 876 . . 29 LEU HD22 . 19461 1 337 . 1 1 29 29 LEU HD23 H 1 0.738 0.03 . 2 . 876 . . 29 LEU HD23 . 19461 1 338 . 1 1 29 29 LEU C C 13 176.399 0.2 . 1 . 281 . . 29 LEU C . 19461 1 339 . 1 1 29 29 LEU CA C 13 53.759 0.2 . 1 . 279 . . 29 LEU CA . 19461 1 340 . 1 1 29 29 LEU CB C 13 44.071 0.2 . 1 . 280 . . 29 LEU CB . 19461 1 341 . 1 1 29 29 LEU CG C 13 28.044 0.2 . 1 . 873 . . 29 LEU CG . 19461 1 342 . 1 1 29 29 LEU CD1 C 13 24.143 0.2 . 2 . 874 . . 29 LEU CD1 . 19461 1 343 . 1 1 29 29 LEU CD2 C 13 26.182 0.2 . 2 . 875 . . 29 LEU CD2 . 19461 1 344 . 1 1 29 29 LEU N N 15 128.746 0.2 . 1 . 278 . . 29 LEU N . 19461 1 345 . 1 1 30 30 SER H H 1 9.023 0.03 . 1 . 272 . . 30 SER H . 19461 1 346 . 1 1 30 30 SER HA H 1 4.504 0.03 . 1 . 494 . . 30 SER HA . 19461 1 347 . 1 1 30 30 SER HB2 H 1 3.709 0.03 . 2 . 871 . . 30 SER HB2 . 19461 1 348 . 1 1 30 30 SER HB3 H 1 3.759 0.03 . 2 . 495 . . 30 SER HB3 . 19461 1 349 . 1 1 30 30 SER C C 13 171.966 0.2 . 1 . 276 . . 30 SER C . 19461 1 350 . 1 1 30 30 SER CA C 13 57.703 0.2 . 1 . 274 . . 30 SER CA . 19461 1 351 . 1 1 30 30 SER CB C 13 65.954 0.2 . 1 . 275 . . 30 SER CB . 19461 1 352 . 1 1 30 30 SER N N 15 114.576 0.2 . 1 . 273 . . 30 SER N . 19461 1 353 . 1 1 31 31 MET H H 1 8.383 0.03 . 1 . 267 . . 31 MET H . 19461 1 354 . 1 1 31 31 MET HA H 1 5.337 0.03 . 1 . 563 . . 31 MET HA . 19461 1 355 . 1 1 31 31 MET HB3 H 1 2.061 0.03 . 1 . 564 . . 31 MET HB3 . 19461 1 356 . 1 1 31 31 MET HG3 H 1 2.421 0.03 . 1 . 565 . . 31 MET HG3 . 19461 1 357 . 1 1 31 31 MET C C 13 176.239 0.2 . 1 . 271 . . 31 MET C . 19461 1 358 . 1 1 31 31 MET CA C 13 53.381 0.2 . 1 . 269 . . 31 MET CA . 19461 1 359 . 1 1 31 31 MET CB C 13 32.713 0.2 . 1 . 270 . . 31 MET CB . 19461 1 360 . 1 1 31 31 MET N N 15 117.292 0.2 . 1 . 268 . . 31 MET N . 19461 1 361 . 1 1 32 32 ASN H H 1 9.203 0.03 . 1 . 262 . . 32 ASN H . 19461 1 362 . 1 1 32 32 ASN HA H 1 4.885 0.03 . 1 . 624 . . 32 ASN HA . 19461 1 363 . 1 1 32 32 ASN HB2 H 1 2.514 0.03 . 1 . 625 . . 32 ASN HB2 . 19461 1 364 . 1 1 32 32 ASN HB3 H 1 2.775 0.03 . 1 . 626 . . 32 ASN HB3 . 19461 1 365 . 1 1 32 32 ASN HD21 H 1 6.939 0.03 . 1 . 959 . . 32 ASN HD21 . 19461 1 366 . 1 1 32 32 ASN HD22 H 1 7.620 0.03 . 1 . 961 . . 32 ASN HD22 . 19461 1 367 . 1 1 32 32 ASN C C 13 176.045 0.2 . 1 . 266 . . 32 ASN C . 19461 1 368 . 1 1 32 32 ASN CA C 13 52.299 0.2 . 1 . 264 . . 32 ASN CA . 19461 1 369 . 1 1 32 32 ASN CB C 13 39.502 0.2 . 1 . 265 . . 32 ASN CB . 19461 1 370 . 1 1 32 32 ASN N N 15 123.832 0.2 . 1 . 263 . . 32 ASN N . 19461 1 371 . 1 1 32 32 ASN ND2 N 15 112.225 0.2 . 1 . 960 . . 32 ASN ND2 . 19461 1 372 . 1 1 33 33 GLY H H 1 8.874 0.03 . 1 . 258 . . 33 GLY H . 19461 1 373 . 1 1 33 33 GLY HA2 H 1 3.964 0.03 . 2 . 933 . . 33 GLY HA2 . 19461 1 374 . 1 1 33 33 GLY HA3 H 1 4.064 0.03 . 2 . 461 . . 33 GLY HA3 . 19461 1 375 . 1 1 33 33 GLY C C 13 174.030 0.2 . 1 . 261 . . 33 GLY C . 19461 1 376 . 1 1 33 33 GLY CA C 13 47.703 0.2 . 1 . 260 . . 33 GLY CA . 19461 1 377 . 1 1 33 33 GLY N N 15 116.194 0.2 . 1 . 259 . . 33 GLY N . 19461 1 378 . 1 1 34 34 ASN H H 1 8.584 0.03 . 1 . 253 . . 34 ASN H . 19461 1 379 . 1 1 34 34 ASN HA H 1 4.683 0.03 . 1 . 604 . . 34 ASN HA . 19461 1 380 . 1 1 34 34 ASN HB2 H 1 3.055 0.03 . 2 . 870 . . 34 ASN HB2 . 19461 1 381 . 1 1 34 34 ASN HB3 H 1 2.960 0.03 . 2 . 869 . . 34 ASN HB3 . 19461 1 382 . 1 1 34 34 ASN HD21 H 1 6.770 0.03 . 1 . 1051 . . 34 ASN HD21 . 19461 1 383 . 1 1 34 34 ASN HD22 H 1 7.060 0.03 . 1 . 1049 . . 34 ASN HD22 . 19461 1 384 . 1 1 34 34 ASN C C 13 173.707 0.2 . 1 . 255 . . 34 ASN C . 19461 1 385 . 1 1 34 34 ASN CA C 13 53.746 0.2 . 1 . 256 . . 34 ASN CA . 19461 1 386 . 1 1 34 34 ASN CB C 13 38.808 0.2 . 1 . 257 . . 34 ASN CB . 19461 1 387 . 1 1 34 34 ASN N N 15 123.442 0.2 . 1 . 254 . . 34 ASN N . 19461 1 388 . 1 1 34 34 ASN ND2 N 15 111.120 0.2 . 1 . 1050 . . 34 ASN ND2 . 19461 1 389 . 1 1 35 35 GLN H H 1 7.813 0.03 . 1 . 248 . . 35 GLN H . 19461 1 390 . 1 1 35 35 GLN HA H 1 4.690 0.03 . 1 . 864 . . 35 GLN HA . 19461 1 391 . 1 1 35 35 GLN HB2 H 1 2.128 0.03 . 2 . 866 . . 35 GLN HB2 . 19461 1 392 . 1 1 35 35 GLN HB3 H 1 1.952 0.03 . 2 . 609 . . 35 GLN HB3 . 19461 1 393 . 1 1 35 35 GLN HG2 H 1 2.133 0.03 . 2 . 867 . . 35 GLN HG2 . 19461 1 394 . 1 1 35 35 GLN HG3 H 1 2.288 0.03 . 2 . 868 . . 35 GLN HG3 . 19461 1 395 . 1 1 35 35 GLN HE21 H 1 6.674 0.03 . 1 . 956 . . 35 GLN HE21 . 19461 1 396 . 1 1 35 35 GLN HE22 H 1 7.594 0.03 . 1 . 958 . . 35 GLN HE22 . 19461 1 397 . 1 1 35 35 GLN C C 13 174.818 0.2 . 1 . 250 . . 35 GLN C . 19461 1 398 . 1 1 35 35 GLN CA C 13 55.131 0.2 . 1 . 251 . . 35 GLN CA . 19461 1 399 . 1 1 35 35 GLN CB C 13 31.762 0.2 . 1 . 252 . . 35 GLN CB . 19461 1 400 . 1 1 35 35 GLN CG C 13 36.387 0.2 . 1 . 865 . . 35 GLN CG . 19461 1 401 . 1 1 35 35 GLN N N 15 119.370 0.2 . 1 . 249 . . 35 GLN N . 19461 1 402 . 1 1 35 35 GLN NE2 N 15 111.526 0.2 . 1 . 957 . . 35 GLN NE2 . 19461 1 403 . 1 1 36 36 LEU H H 1 8.548 0.03 . 1 . 243 . . 36 LEU H . 19461 1 404 . 1 1 36 36 LEU HA H 1 4.702 0.03 . 1 . 534 . . 36 LEU HA . 19461 1 405 . 1 1 36 36 LEU HB2 H 1 1.656 0.03 . 2 . 857 . . 36 LEU HB2 . 19461 1 406 . 1 1 36 36 LEU HB3 H 1 1.604 0.03 . 2 . 858 . . 36 LEU HB3 . 19461 1 407 . 1 1 36 36 LEU HG H 1 1.528 0.03 . 1 . 862 . . 36 LEU HG . 19461 1 408 . 1 1 36 36 LEU HD11 H 1 0.887 0.03 . 2 . 863 . . 36 LEU HD11 . 19461 1 409 . 1 1 36 36 LEU HD12 H 1 0.887 0.03 . 2 . 863 . . 36 LEU HD12 . 19461 1 410 . 1 1 36 36 LEU HD13 H 1 0.887 0.03 . 2 . 863 . . 36 LEU HD13 . 19461 1 411 . 1 1 36 36 LEU HD21 H 1 1.076 0.03 . 2 . 535 . . 36 LEU HD21 . 19461 1 412 . 1 1 36 36 LEU HD22 H 1 1.076 0.03 . 2 . 535 . . 36 LEU HD22 . 19461 1 413 . 1 1 36 36 LEU HD23 H 1 1.076 0.03 . 2 . 535 . . 36 LEU HD23 . 19461 1 414 . 1 1 36 36 LEU C C 13 174.855 0.2 . 1 . 247 . . 36 LEU C . 19461 1 415 . 1 1 36 36 LEU CA C 13 55.360 0.2 . 1 . 245 . . 36 LEU CA . 19461 1 416 . 1 1 36 36 LEU CB C 13 43.415 0.2 . 1 . 246 . . 36 LEU CB . 19461 1 417 . 1 1 36 36 LEU CG C 13 27.612 0.2 . 1 . 859 . . 36 LEU CG . 19461 1 418 . 1 1 36 36 LEU CD1 C 13 25.426 0.2 . 2 . 860 . . 36 LEU CD1 . 19461 1 419 . 1 1 36 36 LEU CD2 C 13 24.127 0.2 . 2 . 861 . . 36 LEU CD2 . 19461 1 420 . 1 1 36 36 LEU N N 15 127.611 0.2 . 1 . 244 . . 36 LEU N . 19461 1 421 . 1 1 37 37 LYS H H 1 9.215 0.03 . 1 . 238 . . 37 LYS H . 19461 1 422 . 1 1 37 37 LYS HA H 1 4.788 0.03 . 1 . 549 . . 37 LYS HA . 19461 1 423 . 1 1 37 37 LYS HB2 H 1 1.523 0.03 . 1 . 550 . . 37 LYS HB2 . 19461 1 424 . 1 1 37 37 LYS HB3 H 1 1.695 0.03 . 1 . 850 . . 37 LYS HB3 . 19461 1 425 . 1 1 37 37 LYS HG2 H 1 1.307 0.03 . 2 . 852 . . 37 LYS HG2 . 19461 1 426 . 1 1 37 37 LYS HG3 H 1 1.238 0.03 . 2 . 851 . . 37 LYS HG3 . 19461 1 427 . 1 1 37 37 LYS HD2 H 1 1.605 0.03 . 2 . 854 . . 37 LYS HD2 . 19461 1 428 . 1 1 37 37 LYS HD3 H 1 1.566 0.03 . 2 . 853 . . 37 LYS HD3 . 19461 1 429 . 1 1 37 37 LYS HE2 H 1 2.881 0.03 . 2 . 855 . . 37 LYS HE2 . 19461 1 430 . 1 1 37 37 LYS HE3 H 1 2.591 0.03 . 2 . 856 . . 37 LYS HE3 . 19461 1 431 . 1 1 37 37 LYS C C 13 174.289 0.2 . 1 . 242 . . 37 LYS C . 19461 1 432 . 1 1 37 37 LYS CA C 13 54.267 0.2 . 1 . 241 . . 37 LYS CA . 19461 1 433 . 1 1 37 37 LYS CB C 13 35.924 0.2 . 1 . 240 . . 37 LYS CB . 19461 1 434 . 1 1 37 37 LYS CG C 13 24.986 0.2 . 1 . 848 . . 37 LYS CG . 19461 1 435 . 1 1 37 37 LYS CD C 13 28.881 0.2 . 1 . 847 . . 37 LYS CD . 19461 1 436 . 1 1 37 37 LYS CE C 13 42.507 0.2 . 1 . 849 . . 37 LYS CE . 19461 1 437 . 1 1 37 37 LYS N N 15 128.826 0.2 . 1 . 239 . . 37 LYS N . 19461 1 438 . 1 1 38 38 ALA H H 1 9.341 0.03 . 1 . 233 . . 38 ALA H . 19461 1 439 . 1 1 38 38 ALA HA H 1 5.345 0.03 . 1 . 474 . . 38 ALA HA . 19461 1 440 . 1 1 38 38 ALA HB1 H 1 1.077 0.03 . 1 . 475 . . 38 ALA HB1 . 19461 1 441 . 1 1 38 38 ALA HB2 H 1 1.077 0.03 . 1 . 475 . . 38 ALA HB2 . 19461 1 442 . 1 1 38 38 ALA HB3 H 1 1.077 0.03 . 1 . 475 . . 38 ALA HB3 . 19461 1 443 . 1 1 38 38 ALA C C 13 176.959 0.2 . 1 . 237 . . 38 ALA C . 19461 1 444 . 1 1 38 38 ALA CA C 13 50.538 0.2 . 1 . 236 . . 38 ALA CA . 19461 1 445 . 1 1 38 38 ALA CB C 13 24.111 0.2 . 1 . 235 . . 38 ALA CB . 19461 1 446 . 1 1 38 38 ALA N N 15 124.597 0.2 . 1 . 234 . . 38 ALA N . 19461 1 447 . 1 1 39 39 THR H H 1 8.858 0.03 . 1 . 228 . . 39 THR H . 19461 1 448 . 1 1 39 39 THR HA H 1 4.504 0.03 . 1 . 501 . . 39 THR HA . 19461 1 449 . 1 1 39 39 THR HB H 1 4.061 0.03 . 1 . 502 . . 39 THR HB . 19461 1 450 . 1 1 39 39 THR HG21 H 1 1.144 0.03 . 1 . 503 . . 39 THR HG1 . 19461 1 451 . 1 1 39 39 THR HG22 H 1 1.144 0.03 . 1 . 503 . . 39 THR HG1 . 19461 1 452 . 1 1 39 39 THR HG23 H 1 1.144 0.03 . 1 . 503 . . 39 THR HG1 . 19461 1 453 . 1 1 39 39 THR C C 13 172.489 0.2 . 1 . 232 . . 39 THR C . 19461 1 454 . 1 1 39 39 THR CA C 13 61.300 0.2 . 1 . 230 . . 39 THR CA . 19461 1 455 . 1 1 39 39 THR CB C 13 71.757 0.2 . 1 . 231 . . 39 THR CB . 19461 1 456 . 1 1 39 39 THR CG2 C 13 21.256 0.2 . 1 . 846 . . 39 THR CG2 . 19461 1 457 . 1 1 39 39 THR N N 15 116.161 0.2 . 1 . 229 . . 39 THR N . 19461 1 458 . 1 1 40 40 SER H H 1 8.491 0.03 . 1 . 223 . . 40 SER H . 19461 1 459 . 1 1 40 40 SER HA H 1 5.525 0.03 . 1 . 627 . . 40 SER HA . 19461 1 460 . 1 1 40 40 SER HB2 H 1 3.677 0.03 . 1 . 628 . . 40 SER HB2 . 19461 1 461 . 1 1 40 40 SER HB3 H 1 3.586 0.03 . 1 . 845 . . 40 SER HB3 . 19461 1 462 . 1 1 40 40 SER C C 13 174.053 0.2 . 1 . 227 . . 40 SER C . 19461 1 463 . 1 1 40 40 SER CA C 13 56.977 0.2 . 1 . 226 . . 40 SER CA . 19461 1 464 . 1 1 40 40 SER CB C 13 67.834 0.2 . 1 . 225 . . 40 SER CB . 19461 1 465 . 1 1 40 40 SER N N 15 115.579 0.2 . 1 . 224 . . 40 SER N . 19461 1 466 . 1 1 41 41 SER H H 1 8.573 0.03 . 1 . 213 . . 41 SER H . 19461 1 467 . 1 1 41 41 SER HA H 1 4.617 0.03 . 1 . 496 . . 41 SER HA . 19461 1 468 . 1 1 41 41 SER HB2 H 1 3.739 0.03 . 2 . 843 . . 41 SER HB2 . 19461 1 469 . 1 1 41 41 SER HB3 H 1 3.808 0.03 . 2 . 844 . . 41 SER HB3 . 19461 1 470 . 1 1 41 41 SER C C 13 173.622 0.2 . 1 . 217 . . 41 SER C . 19461 1 471 . 1 1 41 41 SER CA C 13 58.037 0.2 . 1 . 216 . . 41 SER CA . 19461 1 472 . 1 1 41 41 SER CB C 13 65.216 0.2 . 1 . 215 . . 41 SER CB . 19461 1 473 . 1 1 41 41 SER N N 15 113.913 0.2 . 1 . 214 . . 41 SER N . 19461 1 474 . 1 1 42 42 ASN H H 1 8.899 0.03 . 1 . 218 . . 42 ASN H . 19461 1 475 . 1 1 42 42 ASN HA H 1 4.403 0.03 . 1 . 840 . . 42 ASN HA . 19461 1 476 . 1 1 42 42 ASN HB2 H 1 3.044 0.03 . 2 . 841 . . 42 ASN HB2 . 19461 1 477 . 1 1 42 42 ASN HB3 H 1 3.170 0.03 . 2 . 842 . . 42 ASN HB3 . 19461 1 478 . 1 1 42 42 ASN HD21 H 1 6.950 0.03 . 1 . 964 . . 42 ASN HD21 . 19461 1 479 . 1 1 42 42 ASN HD22 H 1 7.683 0.03 . 1 . 962 . . 42 ASN HD22 . 19461 1 480 . 1 1 42 42 ASN C C 13 175.367 0.2 . 1 . 220 . . 42 ASN C . 19461 1 481 . 1 1 42 42 ASN CA C 13 54.421 0.2 . 1 . 221 . . 42 ASN CA . 19461 1 482 . 1 1 42 42 ASN CB C 13 37.369 0.2 . 1 . 222 . . 42 ASN CB . 19461 1 483 . 1 1 42 42 ASN N N 15 122.630 0.2 . 1 . 219 . . 42 ASN N . 19461 1 484 . 1 1 42 42 ASN ND2 N 15 112.171 0.2 . 1 . 963 . . 42 ASN ND2 . 19461 1 485 . 1 1 43 43 ALA H H 1 7.796 0.03 . 1 . 17 . . 43 ALA H . 19461 1 486 . 1 1 43 43 ALA HA H 1 3.884 0.03 . 1 . 597 . . 43 ALA HA . 19461 1 487 . 1 1 43 43 ALA HB1 H 1 1.239 0.03 . 1 . 598 . . 43 ALA HB1 . 19461 1 488 . 1 1 43 43 ALA HB2 H 1 1.239 0.03 . 1 . 598 . . 43 ALA HB2 . 19461 1 489 . 1 1 43 43 ALA HB3 H 1 1.239 0.03 . 1 . 598 . . 43 ALA HB3 . 19461 1 490 . 1 1 43 43 ALA C C 13 178.209 0.2 . 1 . 9 . . 43 ALA C . 19461 1 491 . 1 1 43 43 ALA CA C 13 55.177 0.2 . 1 . 10 . . 43 ALA CA . 19461 1 492 . 1 1 43 43 ALA CB C 13 20.036 0.2 . 1 . 11 . . 43 ALA CB . 19461 1 493 . 1 1 43 43 ALA N N 15 115.109 0.2 . 1 . 18 . . 43 ALA N . 19461 1 494 . 1 1 44 44 GLY H H 1 8.609 0.03 . 1 . 6 . . 44 GLY H . 19461 1 495 . 1 1 44 44 GLY HA2 H 1 3.504 0.03 . 1 . 462 . . 44 GLY HA2 . 19461 1 496 . 1 1 44 44 GLY HA3 H 1 4.069 0.03 . 1 . 463 . . 44 GLY HA3 . 19461 1 497 . 1 1 44 44 GLY C C 13 173.032 0.2 . 1 . 8 . . 44 GLY C . 19461 1 498 . 1 1 44 44 GLY CA C 13 45.429 0.2 . 1 . 7 . . 44 GLY CA . 19461 1 499 . 1 1 44 44 GLY N N 15 104.982 0.2 . 1 . 16 . . 44 GLY N . 19461 1 500 . 1 1 45 45 TYR H H 1 7.965 0.03 . 1 . 19 . . 45 TYR H . 19461 1 501 . 1 1 45 45 TYR HA H 1 4.810 0.03 . 1 . 580 . . 45 TYR HA . 19461 1 502 . 1 1 45 45 TYR HB2 H 1 3.237 0.03 . 1 . 581 . . 45 TYR HB2 . 19461 1 503 . 1 1 45 45 TYR HB3 H 1 2.785 0.03 . 1 . 582 . . 45 TYR HB3 . 19461 1 504 . 1 1 45 45 TYR HD1 H 1 7.053 0.03 . 3 . 1022 . . 45 TYR HD1 . 19461 1 505 . 1 1 45 45 TYR HD2 H 1 7.053 0.03 . 3 . 1022 . . 45 TYR HD2 . 19461 1 506 . 1 1 45 45 TYR HE1 H 1 6.862 0.03 . 3 . 1023 . . 45 TYR HE1 . 19461 1 507 . 1 1 45 45 TYR HE2 H 1 6.862 0.03 . 3 . 1023 . . 45 TYR HE2 . 19461 1 508 . 1 1 45 45 TYR C C 13 176.483 0.2 . 1 . 21 . . 45 TYR C . 19461 1 509 . 1 1 45 45 TYR CA C 13 57.124 0.2 . 1 . 22 . . 45 TYR CA . 19461 1 510 . 1 1 45 45 TYR CB C 13 42.081 0.2 . 1 . 23 . . 45 TYR CB . 19461 1 511 . 1 1 45 45 TYR N N 15 118.398 0.2 . 1 . 20 . . 45 TYR N . 19461 1 512 . 1 1 46 46 GLY H H 1 8.576 0.03 . 1 . 15 . . 46 GLY H . 19461 1 513 . 1 1 46 46 GLY HA2 H 1 3.560 0.03 . 1 . 464 . . 46 GLY HA2 . 19461 1 514 . 1 1 46 46 GLY HA3 H 1 4.977 0.03 . 1 . 467 . . 46 GLY HA3 . 19461 1 515 . 1 1 46 46 GLY C C 13 174.932 0.2 . 1 . 26 . . 46 GLY C . 19461 1 516 . 1 1 46 46 GLY CA C 13 45.276 0.2 . 1 . 25 . . 46 GLY CA . 19461 1 517 . 1 1 46 46 GLY N N 15 107.261 0.2 . 1 . 24 . . 46 GLY N . 19461 1 518 . 1 1 47 47 ILE H H 1 8.306 0.03 . 1 . 27 . . 47 ILE H . 19461 1 519 . 1 1 47 47 ILE HA H 1 3.971 0.03 . 1 . 629 . . 47 ILE HA . 19461 1 520 . 1 1 47 47 ILE HB H 1 2.145 0.03 . 1 . 630 . . 47 ILE HB . 19461 1 521 . 1 1 47 47 ILE HG12 H 1 1.671 0.03 . 2 . 837 . . 47 ILE HG12 . 19461 1 522 . 1 1 47 47 ILE HG13 H 1 1.104 0.03 . 2 . 631 . . 47 ILE HG13 . 19461 1 523 . 1 1 47 47 ILE HG21 H 1 1.058 0.03 . 1 . 839 . . 47 ILE HG21 . 19461 1 524 . 1 1 47 47 ILE HG22 H 1 1.058 0.03 . 1 . 839 . . 47 ILE HG22 . 19461 1 525 . 1 1 47 47 ILE HG23 H 1 1.058 0.03 . 1 . 839 . . 47 ILE HG23 . 19461 1 526 . 1 1 47 47 ILE HD11 H 1 0.952 0.03 . 1 . 838 . . 47 ILE HD11 . 19461 1 527 . 1 1 47 47 ILE HD12 H 1 0.952 0.03 . 1 . 838 . . 47 ILE HD12 . 19461 1 528 . 1 1 47 47 ILE HD13 H 1 0.952 0.03 . 1 . 838 . . 47 ILE HD13 . 19461 1 529 . 1 1 47 47 ILE C C 13 177.337 0.2 . 1 . 29 . . 47 ILE C . 19461 1 530 . 1 1 47 47 ILE CA C 13 65.012 0.2 . 1 . 30 . . 47 ILE CA . 19461 1 531 . 1 1 47 47 ILE CB C 13 39.243 0.2 . 1 . 31 . . 47 ILE CB . 19461 1 532 . 1 1 47 47 ILE CG1 C 13 29.790 0.2 . 1 . 834 . . 47 ILE CG1 . 19461 1 533 . 1 1 47 47 ILE CG2 C 13 17.757 0.2 . 1 . 835 . . 47 ILE CG2 . 19461 1 534 . 1 1 47 47 ILE CD1 C 13 15.852 0.2 . 1 . 836 . . 47 ILE CD1 . 19461 1 535 . 1 1 47 47 ILE N N 15 121.328 0.2 . 1 . 28 . . 47 ILE N . 19461 1 536 . 1 1 48 48 SER H H 1 8.298 0.03 . 1 . 32 . . 48 SER H . 19461 1 537 . 1 1 48 48 SER HA H 1 4.413 0.03 . 1 . 490 . . 48 SER HA . 19461 1 538 . 1 1 48 48 SER HB2 H 1 4.246 0.03 . 1 . 833 . . 48 SER HB2 . 19461 1 539 . 1 1 48 48 SER HB3 H 1 3.972 0.03 . 1 . 491 . . 48 SER HB3 . 19461 1 540 . 1 1 48 48 SER C C 13 172.432 0.2 . 1 . 34 . . 48 SER C . 19461 1 541 . 1 1 48 48 SER CA C 13 58.317 0.2 . 1 . 35 . . 48 SER CA . 19461 1 542 . 1 1 48 48 SER CB C 13 65.942 0.2 . 1 . 36 . . 48 SER CB . 19461 1 543 . 1 1 48 48 SER N N 15 112.516 0.2 . 1 . 33 . . 48 SER N . 19461 1 544 . 1 1 49 49 TYR H H 1 8.354 0.03 . 1 . 37 . . 49 TYR H . 19461 1 545 . 1 1 49 49 TYR HA H 1 4.584 0.03 . 1 . 832 . . 49 TYR HA . 19461 1 546 . 1 1 49 49 TYR HB2 H 1 3.489 0.03 . 1 . 578 . . 49 TYR HB2 . 19461 1 547 . 1 1 49 49 TYR HB3 H 1 2.876 0.03 . 1 . 579 . . 49 TYR HB3 . 19461 1 548 . 1 1 49 49 TYR HD1 H 1 7.226 0.03 . 3 . 1024 . . 49 TYR HD1 . 19461 1 549 . 1 1 49 49 TYR HD2 H 1 7.226 0.03 . 3 . 1024 . . 49 TYR HD2 . 19461 1 550 . 1 1 49 49 TYR HE1 H 1 6.914 0.03 . 3 . 1025 . . 49 TYR HE1 . 19461 1 551 . 1 1 49 49 TYR HE2 H 1 6.914 0.03 . 3 . 1025 . . 49 TYR HE2 . 19461 1 552 . 1 1 49 49 TYR C C 13 175.913 0.2 . 1 . 39 . . 49 TYR C . 19461 1 553 . 1 1 49 49 TYR CA C 13 57.180 0.2 . 1 . 40 . . 49 TYR CA . 19461 1 554 . 1 1 49 49 TYR CB C 13 38.245 0.2 . 1 . 41 . . 49 TYR CB . 19461 1 555 . 1 1 49 49 TYR N N 15 115.244 0.2 . 1 . 38 . . 49 TYR N . 19461 1 556 . 1 1 50 50 GLU H H 1 9.029 0.03 . 1 . 42 . . 50 GLU H . 19461 1 557 . 1 1 50 50 GLU HA H 1 4.313 0.03 . 1 . 574 . . 50 GLU HA . 19461 1 558 . 1 1 50 50 GLU HB2 H 1 1.907 0.03 . 2 . 828 . . 50 GLU HB2 . 19461 1 559 . 1 1 50 50 GLU HB3 H 1 1.881 0.03 . 2 . 575 . . 50 GLU HB3 . 19461 1 560 . 1 1 50 50 GLU HG2 H 1 2.164 0.03 . 2 . 830 . . 50 GLU HG2 . 19461 1 561 . 1 1 50 50 GLU HG3 H 1 2.286 0.03 . 2 . 831 . . 50 GLU HG3 . 19461 1 562 . 1 1 50 50 GLU C C 13 174.647 0.2 . 1 . 44 . . 50 GLU C . 19461 1 563 . 1 1 50 50 GLU CA C 13 56.564 0.2 . 1 . 45 . . 50 GLU CA . 19461 1 564 . 1 1 50 50 GLU CB C 13 32.212 0.2 . 1 . 46 . . 50 GLU CB . 19461 1 565 . 1 1 50 50 GLU CG C 13 37.470 0.2 . 1 . 829 . . 50 GLU CG . 19461 1 566 . 1 1 50 50 GLU N N 15 122.288 0.2 . 1 . 43 . . 50 GLU N . 19461 1 567 . 1 1 51 51 ASP H H 1 8.347 0.03 . 1 . 47 . . 51 ASP H . 19461 1 568 . 1 1 51 51 ASP HA H 1 4.715 0.03 . 1 . 505 . . 51 ASP HA . 19461 1 569 . 1 1 51 51 ASP HB2 H 1 2.419 0.03 . 1 . 507 . . 51 ASP HB2 . 19461 1 570 . 1 1 51 51 ASP HB3 H 1 2.879 0.03 . 1 . 506 . . 51 ASP HB3 . 19461 1 571 . 1 1 51 51 ASP C C 13 174.995 0.2 . 1 . 52 . . 51 ASP C . 19461 1 572 . 1 1 51 51 ASP CA C 13 53.350 0.2 . 1 . 50 . . 51 ASP CA . 19461 1 573 . 1 1 51 51 ASP CB C 13 39.881 0.2 . 1 . 49 . . 51 ASP CB . 19461 1 574 . 1 1 51 51 ASP N N 15 120.239 0.2 . 1 . 48 . . 51 ASP N . 19461 1 575 . 1 1 52 52 LYS H H 1 7.594 0.03 . 1 . 53 . . 52 LYS H . 19461 1 576 . 1 1 52 52 LYS HA H 1 4.424 0.03 . 1 . 547 . . 52 LYS HA . 19461 1 577 . 1 1 52 52 LYS HB2 H 1 1.413 0.03 . 1 . 821 . . 52 LYS HB2 . 19461 1 578 . 1 1 52 52 LYS HB3 H 1 1.523 0.03 . 1 . 822 . . 52 LYS HB3 . 19461 1 579 . 1 1 52 52 LYS HG2 H 1 1.151 0.03 . 2 . 548 . . 52 LYS HG2 . 19461 1 580 . 1 1 52 52 LYS HG3 H 1 1.193 0.03 . 2 . 823 . . 52 LYS HG3 . 19461 1 581 . 1 1 52 52 LYS HD2 H 1 1.536 0.03 . 2 . 824 . . 52 LYS HD2 . 19461 1 582 . 1 1 52 52 LYS HD3 H 1 1.583 0.03 . 2 . 825 . . 52 LYS HD3 . 19461 1 583 . 1 1 52 52 LYS C C 13 174.176 0.2 . 1 . 55 . . 52 LYS C . 19461 1 584 . 1 1 52 52 LYS CA C 13 55.349 0.2 . 1 . 56 . . 52 LYS CA . 19461 1 585 . 1 1 52 52 LYS CB C 13 36.426 0.2 . 1 . 57 . . 52 LYS CB . 19461 1 586 . 1 1 52 52 LYS CG C 13 25.460 0.2 . 1 . 820 . . 52 LYS CG . 19461 1 587 . 1 1 52 52 LYS CD C 13 29.201 0.2 . 1 . 819 . . 52 LYS CD . 19461 1 588 . 1 1 52 52 LYS CE C 13 42.119 0.2 . 1 . 818 . . 52 LYS CE . 19461 1 589 . 1 1 52 52 LYS N N 15 125.397 0.2 . 1 . 54 . . 52 LYS N . 19461 1 590 . 1 1 53 53 ASN H H 1 8.806 0.03 . 1 . 58 . . 53 ASN H . 19461 1 591 . 1 1 53 53 ASN HA H 1 5.611 0.03 . 1 . 592 . . 53 ASN HA . 19461 1 592 . 1 1 53 53 ASN HB2 H 1 2.058 0.03 . 1 . 594 . . 53 ASN HB2 . 19461 1 593 . 1 1 53 53 ASN HB3 H 1 2.513 0.03 . 1 . 593 . . 53 ASN HB3 . 19461 1 594 . 1 1 53 53 ASN HD21 H 1 7.230 0.03 . 1 . 1054 . . 53 ASN HD21 . 19461 1 595 . 1 1 53 53 ASN HD22 H 1 7.574 0.03 . 1 . 1052 . . 53 ASN HD22 . 19461 1 596 . 1 1 53 53 ASN C C 13 173.703 0.2 . 1 . 62 . . 53 ASN C . 19461 1 597 . 1 1 53 53 ASN CA C 13 53.168 0.2 . 1 . 60 . . 53 ASN CA . 19461 1 598 . 1 1 53 53 ASN CB C 13 42.981 0.2 . 1 . 61 . . 53 ASN CB . 19461 1 599 . 1 1 53 53 ASN N N 15 121.599 0.2 . 1 . 59 . . 53 ASN N . 19461 1 600 . 1 1 53 53 ASN ND2 N 15 116.618 0.2 . 1 . 1053 . . 53 ASN ND2 . 19461 1 601 . 1 1 54 54 TRP H H 1 9.221 0.03 . 1 . 63 . . 54 TRP H . 19461 1 602 . 1 1 54 54 TRP HA H 1 4.619 0.03 . 1 . 632 . . 54 TRP HA . 19461 1 603 . 1 1 54 54 TRP HB2 H 1 2.236 0.03 . 1 . 637 . . 54 TRP HB2 . 19461 1 604 . 1 1 54 54 TRP HB3 H 1 0.873 0.03 . 1 . 636 . . 54 TRP HB3 . 19461 1 605 . 1 1 54 54 TRP HD1 H 1 6.694 0.03 . 1 . 1041 . . 54 TRP HD1 . 19461 1 606 . 1 1 54 54 TRP HE1 H 1 12.007 0.03 . 1 . 1055 . . 54 TRP HE1 . 19461 1 607 . 1 1 54 54 TRP HE3 H 1 7.363 0.03 . 1 . 1037 . . 54 TRP HE3 . 19461 1 608 . 1 1 54 54 TRP HZ2 H 1 7.125 0.03 . 1 . 1038 . . 54 TRP HZ2 . 19461 1 609 . 1 1 54 54 TRP HZ3 H 1 7.012 0.03 . 1 . 1039 . . 54 TRP HZ3 . 19461 1 610 . 1 1 54 54 TRP HH2 H 1 6.952 0.03 . 1 . 1040 . . 54 TRP HH2 . 19461 1 611 . 1 1 54 54 TRP C C 13 174.886 0.2 . 1 . 67 . . 54 TRP C . 19461 1 612 . 1 1 54 54 TRP CA C 13 56.157 0.2 . 1 . 65 . . 54 TRP CA . 19461 1 613 . 1 1 54 54 TRP CB C 13 32.209 0.2 . 1 . 66 . . 54 TRP CB . 19461 1 614 . 1 1 54 54 TRP N N 15 122.086 0.2 . 1 . 64 . . 54 TRP N . 19461 1 615 . 1 1 54 54 TRP NE1 N 15 132.940 0.2 . 1 . 1056 . . 54 TRP NE1 . 19461 1 616 . 1 1 55 55 GLY H H 1 9.559 0.03 . 1 . 68 . . 55 GLY H . 19461 1 617 . 1 1 55 55 GLY HA2 H 1 3.245 0.03 . 2 . 466 . . 55 GLY HA2 . 19461 1 618 . 1 1 55 55 GLY HA3 H 1 5.135 0.03 . 2 . 465 . . 55 GLY HA3 . 19461 1 619 . 1 1 55 55 GLY C C 13 171.532 0.2 . 1 . 71 . . 55 GLY C . 19461 1 620 . 1 1 55 55 GLY CA C 13 44.419 0.2 . 1 . 70 . . 55 GLY CA . 19461 1 621 . 1 1 55 55 GLY N N 15 106.702 0.2 . 1 . 69 . . 55 GLY N . 19461 1 622 . 1 1 56 56 ILE H H 1 8.679 0.03 . 1 . 72 . . 56 ILE H . 19461 1 623 . 1 1 56 56 ILE HA H 1 4.804 0.03 . 1 . 520 . . 56 ILE HA . 19461 1 624 . 1 1 56 56 ILE HB H 1 1.785 0.03 . 1 . 521 . . 56 ILE HB . 19461 1 625 . 1 1 56 56 ILE HG12 H 1 1.236 0.03 . 2 . 605 . . 56 ILE HG12 . 19461 1 626 . 1 1 56 56 ILE HG13 H 1 1.933 0.03 . 2 . 815 . . 56 ILE HG13 . 19461 1 627 . 1 1 56 56 ILE HG21 H 1 0.802 0.03 . 1 . 816 . . 56 ILE HG21 . 19461 1 628 . 1 1 56 56 ILE HG22 H 1 0.802 0.03 . 1 . 816 . . 56 ILE HG22 . 19461 1 629 . 1 1 56 56 ILE HG23 H 1 0.802 0.03 . 1 . 816 . . 56 ILE HG23 . 19461 1 630 . 1 1 56 56 ILE HD11 H 1 0.906 0.03 . 1 . 817 . . 56 ILE HD11 . 19461 1 631 . 1 1 56 56 ILE HD12 H 1 0.906 0.03 . 1 . 817 . . 56 ILE HD12 . 19461 1 632 . 1 1 56 56 ILE HD13 H 1 0.906 0.03 . 1 . 817 . . 56 ILE HD13 . 19461 1 633 . 1 1 56 56 ILE C C 13 174.403 0.2 . 1 . 76 . . 56 ILE C . 19461 1 634 . 1 1 56 56 ILE CA C 13 61.744 0.2 . 1 . 75 . . 56 ILE CA . 19461 1 635 . 1 1 56 56 ILE CB C 13 38.793 0.2 . 1 . 74 . . 56 ILE CB . 19461 1 636 . 1 1 56 56 ILE CG1 C 13 27.575 0.2 . 1 . 812 . . 56 ILE CG1 . 19461 1 637 . 1 1 56 56 ILE CG2 C 13 17.811 0.2 . 1 . 813 . . 56 ILE CG2 . 19461 1 638 . 1 1 56 56 ILE CD1 C 13 14.459 0.2 . 1 . 814 . . 56 ILE CD1 . 19461 1 639 . 1 1 56 56 ILE N N 15 120.190 0.2 . 1 . 73 . . 56 ILE N . 19461 1 640 . 1 1 57 57 PHE H H 1 9.751 0.03 . 1 . 77 . . 57 PHE H . 19461 1 641 . 1 1 57 57 PHE HA H 1 5.421 0.03 . 1 . 583 . . 57 PHE HA . 19461 1 642 . 1 1 57 57 PHE HB2 H 1 3.166 0.03 . 1 . 584 . . 57 PHE HB2 . 19461 1 643 . 1 1 57 57 PHE HB3 H 1 2.508 0.03 . 1 . 585 . . 57 PHE HB3 . 19461 1 644 . 1 1 57 57 PHE HD1 H 1 7.064 0.03 . 3 . 1036 . . 57 PHE HD1 . 19461 1 645 . 1 1 57 57 PHE HD2 H 1 7.064 0.03 . 3 . 1036 . . 57 PHE HD2 . 19461 1 646 . 1 1 57 57 PHE HE1 H 1 7.215 0.03 . 3 . 1035 . . 57 PHE HE1 . 19461 1 647 . 1 1 57 57 PHE HE2 H 1 7.215 0.03 . 3 . 1035 . . 57 PHE HE2 . 19461 1 648 . 1 1 57 57 PHE HZ H 1 7.280 0.03 . 1 . 1033 . . 57 PHE HZ . 19461 1 649 . 1 1 57 57 PHE C C 13 175.603 0.2 . 1 . 79 . . 57 PHE C . 19461 1 650 . 1 1 57 57 PHE CA C 13 56.021 0.2 . 1 . 80 . . 57 PHE CA . 19461 1 651 . 1 1 57 57 PHE CB C 13 42.610 0.2 . 1 . 81 . . 57 PHE CB . 19461 1 652 . 1 1 57 57 PHE N N 15 127.383 0.2 . 1 . 78 . . 57 PHE N . 19461 1 653 . 1 1 58 58 VAL H H 1 9.216 0.03 . 1 . 83 . . 58 VAL H . 19461 1 654 . 1 1 58 58 VAL HA H 1 4.695 0.03 . 1 . 480 . . 58 VAL HA . 19461 1 655 . 1 1 58 58 VAL HB H 1 1.989 0.03 . 1 . 481 . . 58 VAL HB . 19461 1 656 . 1 1 58 58 VAL HG11 H 1 0.921 0.03 . 2 . 811 . . 58 VAL HG11 . 19461 1 657 . 1 1 58 58 VAL HG12 H 1 0.921 0.03 . 2 . 811 . . 58 VAL HG12 . 19461 1 658 . 1 1 58 58 VAL HG13 H 1 0.921 0.03 . 2 . 811 . . 58 VAL HG13 . 19461 1 659 . 1 1 58 58 VAL HG21 H 1 0.954 0.03 . 2 . 482 . . 58 VAL HG21 . 19461 1 660 . 1 1 58 58 VAL HG22 H 1 0.954 0.03 . 2 . 482 . . 58 VAL HG22 . 19461 1 661 . 1 1 58 58 VAL HG23 H 1 0.954 0.03 . 2 . 482 . . 58 VAL HG23 . 19461 1 662 . 1 1 58 58 VAL C C 13 177.117 0.2 . 1 . 87 . . 58 VAL C . 19461 1 663 . 1 1 58 58 VAL CA C 13 61.812 0.2 . 1 . 85 . . 58 VAL CA . 19461 1 664 . 1 1 58 58 VAL CB C 13 33.514 0.2 . 1 . 86 . . 58 VAL CB . 19461 1 665 . 1 1 58 58 VAL CG1 C 13 22.775 0.2 . 2 . 809 . . 58 VAL CG1 . 19461 1 666 . 1 1 58 58 VAL CG2 C 13 21.760 0.2 . 2 . 810 . . 58 VAL CG2 . 19461 1 667 . 1 1 58 58 VAL N N 15 121.811 0.2 . 1 . 84 . . 58 VAL N . 19461 1 668 . 1 1 59 59 ASN H H 1 9.690 0.03 . 1 . 88 . . 59 ASN H . 19461 1 669 . 1 1 59 59 ASN HA H 1 4.626 0.03 . 1 . 595 . . 59 ASN HA . 19461 1 670 . 1 1 59 59 ASN HB3 H 1 3.066 0.03 . 1 . 596 . . 59 ASN HB3 . 19461 1 671 . 1 1 59 59 ASN HD21 H 1 7.003 0.03 . 1 . 953 . . 59 ASN HD21 . 19461 1 672 . 1 1 59 59 ASN HD22 H 1 6.657 0.03 . 1 . 955 . . 59 ASN HD22 . 19461 1 673 . 1 1 59 59 ASN C C 13 175.648 0.2 . 1 . 13 . . 59 ASN C . 19461 1 674 . 1 1 59 59 ASN CA C 13 55.639 0.2 . 1 . 14 . . 59 ASN CA . 19461 1 675 . 1 1 59 59 ASN CB C 13 37.859 0.2 . 1 . 12 . . 59 ASN CB . 19461 1 676 . 1 1 59 59 ASN N N 15 128.070 0.2 . 1 . 89 . . 59 ASN N . 19461 1 677 . 1 1 59 59 ASN ND2 N 15 111.359 0.2 . 1 . 954 . . 59 ASN ND2 . 19461 1 678 . 1 1 60 60 GLY H H 1 9.256 0.03 . 1 . 1 . . 60 GLY H . 19461 1 679 . 1 1 60 60 GLY HA2 H 1 4.327 0.03 . 1 . 468 . . 60 GLY HA2 . 19461 1 680 . 1 1 60 60 GLY HA3 H 1 3.669 0.03 . 1 . 469 . . 60 GLY HA3 . 19461 1 681 . 1 1 60 60 GLY C C 13 173.777 0.2 . 1 . 5 . . 60 GLY C . 19461 1 682 . 1 1 60 60 GLY CA C 13 45.852 0.2 . 1 . 4 . . 60 GLY CA . 19461 1 683 . 1 1 60 60 GLY N N 15 102.980 0.2 . 1 . 2 . . 60 GLY N . 19461 1 684 . 1 1 61 61 GLU H H 1 8.003 0.03 . 1 . 90 . . 61 GLU H . 19461 1 685 . 1 1 61 61 GLU HA H 1 4.896 0.03 . 1 . 805 . . 61 GLU HA . 19461 1 686 . 1 1 61 61 GLU HB2 H 1 1.967 0.03 . 1 . 806 . . 61 GLU HB2 . 19461 1 687 . 1 1 61 61 GLU HB3 H 1 2.111 0.03 . 1 . 573 . . 61 GLU HB3 . 19461 1 688 . 1 1 61 61 GLU HG2 H 1 2.318 0.03 . 2 . 808 . . 61 GLU HG2 . 19461 1 689 . 1 1 61 61 GLU HG3 H 1 2.229 0.03 . 2 . 807 . . 61 GLU HG3 . 19461 1 690 . 1 1 61 61 GLU C C 13 175.524 0.2 . 1 . 95 . . 61 GLU C . 19461 1 691 . 1 1 61 61 GLU CA C 13 55.178 0.2 . 1 . 93 . . 61 GLU CA . 19461 1 692 . 1 1 61 61 GLU CB C 13 31.771 0.2 . 1 . 92 . . 61 GLU CB . 19461 1 693 . 1 1 61 61 GLU CG C 13 34.489 0.2 . 1 . 804 . . 61 GLU CG . 19461 1 694 . 1 1 61 61 GLU N N 15 121.800 0.2 . 1 . 91 . . 61 GLU N . 19461 1 695 . 1 1 62 62 LYS H H 1 8.942 0.03 . 1 . 96 . . 62 LYS H . 19461 1 696 . 1 1 62 62 LYS HA H 1 3.613 0.03 . 1 . 590 . . 62 LYS HA . 19461 1 697 . 1 1 62 62 LYS HB2 H 1 1.255 0.03 . 1 . 798 . . 62 LYS HB2 . 19461 1 698 . 1 1 62 62 LYS HB3 H 1 1.694 0.03 . 1 . 591 . . 62 LYS HB3 . 19461 1 699 . 1 1 62 62 LYS HG2 H 1 0.473 0.03 . 2 . 799 . . 62 LYS HG2 . 19461 1 700 . 1 1 62 62 LYS HG3 H 1 0.790 0.03 . 2 . 800 . . 62 LYS HG3 . 19461 1 701 . 1 1 62 62 LYS HD3 H 1 1.705 0.03 . 1 . 801 . . 62 LYS HD3 . 19461 1 702 . 1 1 62 62 LYS HE2 H 1 2.851 0.03 . 2 . 802 . . 62 LYS HE2 . 19461 1 703 . 1 1 62 62 LYS HE3 H 1 2.874 0.03 . 2 . 803 . . 62 LYS HE3 . 19461 1 704 . 1 1 62 62 LYS C C 13 176.866 0.2 . 1 . 100 . . 62 LYS C . 19461 1 705 . 1 1 62 62 LYS CA C 13 57.688 0.2 . 1 . 99 . . 62 LYS CA . 19461 1 706 . 1 1 62 62 LYS CB C 13 31.783 0.2 . 1 . 98 . . 62 LYS CB . 19461 1 707 . 1 1 62 62 LYS CG C 13 24.586 0.2 . 1 . 796 . . 62 LYS CG . 19461 1 708 . 1 1 62 62 LYS CD C 13 29.130 0.2 . 1 . 795 . . 62 LYS CD . 19461 1 709 . 1 1 62 62 LYS CE C 13 41.971 0.2 . 1 . 797 . . 62 LYS CE . 19461 1 710 . 1 1 62 62 LYS N N 15 128.035 0.2 . 1 . 97 . . 62 LYS N . 19461 1 711 . 1 1 63 63 VAL H H 1 8.958 0.03 . 1 . 101 . . 63 VAL H . 19461 1 712 . 1 1 63 63 VAL HA H 1 4.523 0.03 . 1 . 483 . . 63 VAL HA . 19461 1 713 . 1 1 63 63 VAL HB H 1 2.244 0.03 . 1 . 484 . . 63 VAL HB . 19461 1 714 . 1 1 63 63 VAL HG11 H 1 0.879 0.03 . 2 . 793 . . 63 VAL HG11 . 19461 1 715 . 1 1 63 63 VAL HG12 H 1 0.879 0.03 . 2 . 793 . . 63 VAL HG12 . 19461 1 716 . 1 1 63 63 VAL HG13 H 1 0.879 0.03 . 2 . 793 . . 63 VAL HG13 . 19461 1 717 . 1 1 63 63 VAL HG21 H 1 1.001 0.03 . 2 . 794 . . 63 VAL HG21 . 19461 1 718 . 1 1 63 63 VAL HG22 H 1 1.001 0.03 . 2 . 794 . . 63 VAL HG22 . 19461 1 719 . 1 1 63 63 VAL HG23 H 1 1.001 0.03 . 2 . 794 . . 63 VAL HG23 . 19461 1 720 . 1 1 63 63 VAL C C 13 175.285 0.2 . 1 . 103 . . 63 VAL C . 19461 1 721 . 1 1 63 63 VAL CA C 13 62.173 0.2 . 1 . 104 . . 63 VAL CA . 19461 1 722 . 1 1 63 63 VAL CB C 13 34.041 0.2 . 1 . 105 . . 63 VAL CB . 19461 1 723 . 1 1 63 63 VAL CG1 C 13 21.834 0.2 . 2 . 792 . . 63 VAL CG1 . 19461 1 724 . 1 1 63 63 VAL CG2 C 13 20.249 0.2 . 2 . 791 . . 63 VAL CG2 . 19461 1 725 . 1 1 63 63 VAL N N 15 122.799 0.2 . 1 . 102 . . 63 VAL N . 19461 1 726 . 1 1 64 64 TYR H H 1 7.421 0.03 . 1 . 106 . . 64 TYR H . 19461 1 727 . 1 1 64 64 TYR HA H 1 4.697 0.03 . 1 . 633 . . 64 TYR HA . 19461 1 728 . 1 1 64 64 TYR HB2 H 1 2.153 0.03 . 2 . 634 . . 64 TYR HB2 . 19461 1 729 . 1 1 64 64 TYR HB3 H 1 3.395 0.03 . 2 . 635 . . 64 TYR HB3 . 19461 1 730 . 1 1 64 64 TYR HD1 H 1 7.030 0.03 . 3 . 1032 . . 64 TYR HD1 . 19461 1 731 . 1 1 64 64 TYR HD2 H 1 7.030 0.03 . 3 . 1032 . . 64 TYR HD2 . 19461 1 732 . 1 1 64 64 TYR HE1 H 1 6.787 0.03 . 3 . 1031 . . 64 TYR HE1 . 19461 1 733 . 1 1 64 64 TYR HE2 H 1 6.787 0.03 . 3 . 1031 . . 64 TYR HE2 . 19461 1 734 . 1 1 64 64 TYR C C 13 172.733 0.2 . 1 . 108 . . 64 TYR C . 19461 1 735 . 1 1 64 64 TYR CA C 13 58.976 0.2 . 1 . 109 . . 64 TYR CA . 19461 1 736 . 1 1 64 64 TYR CB C 13 42.471 0.2 . 1 . 110 . . 64 TYR CB . 19461 1 737 . 1 1 64 64 TYR N N 15 119.490 0.2 . 1 . 107 . . 64 TYR N . 19461 1 738 . 1 1 65 65 THR H H 1 6.893 0.03 . 1 . 1057 . . 65 THR H . 19461 1 739 . 1 1 65 65 THR HA H 1 5.243 0.03 . 1 . 498 . . 65 THR HA . 19461 1 740 . 1 1 65 65 THR HB H 1 3.787 0.03 . 1 . 499 . . 65 THR HB . 19461 1 741 . 1 1 65 65 THR HG21 H 1 0.943 0.03 . 1 . 790 . . 65 THR HG21 . 19461 1 742 . 1 1 65 65 THR HG22 H 1 0.943 0.03 . 1 . 790 . . 65 THR HG22 . 19461 1 743 . 1 1 65 65 THR HG23 H 1 0.943 0.03 . 1 . 790 . . 65 THR HG23 . 19461 1 744 . 1 1 65 65 THR C C 13 171.318 0.2 . 1 . 111 . . 65 THR C . 19461 1 745 . 1 1 65 65 THR CA C 13 60.403 0.2 . 1 . 113 . . 65 THR CA . 19461 1 746 . 1 1 65 65 THR CB C 13 72.024 0.2 . 1 . 112 . . 65 THR CB . 19461 1 747 . 1 1 65 65 THR CG2 C 13 21.125 0.2 . 1 . 789 . . 65 THR CG2 . 19461 1 748 . 1 1 65 65 THR N N 15 120.506 0.2 . 1 . 1058 . . 65 THR N . 19461 1 749 . 1 1 66 66 PHE H H 1 8.850 0.03 . 1 . 114 . . 66 PHE H . 19461 1 750 . 1 1 66 66 PHE HA H 1 4.968 0.03 . 1 . 586 . . 66 PHE HA . 19461 1 751 . 1 1 66 66 PHE HB2 H 1 2.963 0.03 . 1 . 587 . . 66 PHE HB2 . 19461 1 752 . 1 1 66 66 PHE HB3 H 1 3.200 0.03 . 1 . 588 . . 66 PHE HB3 . 19461 1 753 . 1 1 66 66 PHE HD1 H 1 6.947 0.03 . 3 . 1027 . . 66 PHE HD1 . 19461 1 754 . 1 1 66 66 PHE HD2 H 1 6.947 0.03 . 3 . 1027 . . 66 PHE HD2 . 19461 1 755 . 1 1 66 66 PHE HE1 H 1 6.688 0.03 . 3 . 1026 . . 66 PHE HE1 . 19461 1 756 . 1 1 66 66 PHE HE2 H 1 6.688 0.03 . 3 . 1026 . . 66 PHE HE2 . 19461 1 757 . 1 1 66 66 PHE HZ H 1 6.403 0.03 . 1 . 1028 . . 66 PHE HZ . 19461 1 758 . 1 1 66 66 PHE C C 13 171.272 0.2 . 1 . 118 . . 66 PHE C . 19461 1 759 . 1 1 66 66 PHE CA C 13 55.624 0.2 . 1 . 116 . . 66 PHE CA . 19461 1 760 . 1 1 66 66 PHE CB C 13 41.615 0.2 . 1 . 117 . . 66 PHE CB . 19461 1 761 . 1 1 66 66 PHE N N 15 117.307 0.2 . 1 . 115 . . 66 PHE N . 19461 1 762 . 1 1 67 67 ASN H H 1 8.873 0.03 . 1 . 119 . . 67 ASN H . 19461 1 763 . 1 1 67 67 ASN HA H 1 5.712 0.03 . 1 . 589 . . 67 ASN HA . 19461 1 764 . 1 1 67 67 ASN HB2 H 1 2.735 0.03 . 2 . 788 . . 67 ASN HB2 . 19461 1 765 . 1 1 67 67 ASN HB3 H 1 2.640 0.03 . 2 . 787 . . 67 ASN HB3 . 19461 1 766 . 1 1 67 67 ASN HD21 H 1 7.377 0.03 . 1 . 941 . . 67 ASN HD21 . 19461 1 767 . 1 1 67 67 ASN HD22 H 1 7.398 0.03 . 1 . 943 . . 67 ASN HD22 . 19461 1 768 . 1 1 67 67 ASN C C 13 176.821 0.2 . 1 . 123 . . 67 ASN C . 19461 1 769 . 1 1 67 67 ASN CA C 13 52.138 0.2 . 1 . 121 . . 67 ASN CA . 19461 1 770 . 1 1 67 67 ASN CB C 13 44.136 0.2 . 1 . 122 . . 67 ASN CB . 19461 1 771 . 1 1 67 67 ASN N N 15 121.407 0.2 . 1 . 120 . . 67 ASN N . 19461 1 772 . 1 1 67 67 ASN ND2 N 15 113.663 0.2 . 1 . 942 . . 67 ASN ND2 . 19461 1 773 . 1 1 68 68 GLU H H 1 8.883 0.03 . 1 . 124 . . 68 GLU H . 19461 1 774 . 1 1 68 68 GLU HA H 1 4.160 0.03 . 1 . 570 . . 68 GLU HA . 19461 1 775 . 1 1 68 68 GLU HB2 H 1 2.248 0.03 . 1 . 572 . . 68 GLU HB2 . 19461 1 776 . 1 1 68 68 GLU HB3 H 1 2.424 0.03 . 1 . 571 . . 68 GLU HB3 . 19461 1 777 . 1 1 68 68 GLU HG2 H 1 2.893 0.03 . 2 . 786 . . 68 GLU HG2 . 19461 1 778 . 1 1 68 68 GLU HG3 H 1 2.253 0.03 . 2 . 785 . . 68 GLU HG3 . 19461 1 779 . 1 1 68 68 GLU C C 13 176.370 0.2 . 1 . 128 . . 68 GLU C . 19461 1 780 . 1 1 68 68 GLU CA C 13 60.929 0.2 . 1 . 127 . . 68 GLU CA . 19461 1 781 . 1 1 68 68 GLU CB C 13 29.901 0.2 . 1 . 126 . . 68 GLU CB . 19461 1 782 . 1 1 68 68 GLU CG C 13 39.177 0.2 . 1 . 784 . . 68 GLU CG . 19461 1 783 . 1 1 68 68 GLU N N 15 122.759 0.2 . 1 . 125 . . 68 GLU N . 19461 1 784 . 1 1 69 69 LYS H H 1 8.977 0.03 . 1 . 129 . . 69 LYS H . 19461 1 785 . 1 1 69 69 LYS HA H 1 4.612 0.03 . 1 . 545 . . 69 LYS HA . 19461 1 786 . 1 1 69 69 LYS HB3 H 1 1.880 0.03 . 1 . 779 . . 69 LYS HB3 . 19461 1 787 . 1 1 69 69 LYS HG2 H 1 1.316 0.03 . 2 . 546 . . 69 LYS HG2 . 19461 1 788 . 1 1 69 69 LYS HG3 H 1 1.735 0.03 . 2 . 780 . . 69 LYS HG3 . 19461 1 789 . 1 1 69 69 LYS HD2 H 1 1.859 0.03 . 2 . 781 . . 69 LYS HD2 . 19461 1 790 . 1 1 69 69 LYS HD3 H 1 1.958 0.03 . 2 . 782 . . 69 LYS HD3 . 19461 1 791 . 1 1 69 69 LYS HE3 H 1 2.839 0.03 . 1 . 783 . . 69 LYS HE3 . 19461 1 792 . 1 1 69 69 LYS C C 13 179.840 0.2 . 1 . 133 . . 69 LYS C . 19461 1 793 . 1 1 69 69 LYS CA C 13 58.114 0.2 . 1 . 132 . . 69 LYS CA . 19461 1 794 . 1 1 69 69 LYS CB C 13 33.159 0.2 . 1 . 131 . . 69 LYS CB . 19461 1 795 . 1 1 69 69 LYS CG C 13 26.244 0.2 . 1 . 777 . . 69 LYS CG . 19461 1 796 . 1 1 69 69 LYS CD C 13 29.845 0.2 . 1 . 776 . . 69 LYS CD . 19461 1 797 . 1 1 69 69 LYS CE C 13 41.635 0.2 . 1 . 778 . . 69 LYS CE . 19461 1 798 . 1 1 69 69 LYS N N 15 115.072 0.2 . 1 . 130 . . 69 LYS N . 19461 1 799 . 1 1 70 70 SER H H 1 8.044 0.03 . 1 . 134 . . 70 SER H . 19461 1 800 . 1 1 70 70 SER HA H 1 4.429 0.03 . 1 . 487 . . 70 SER HA . 19461 1 801 . 1 1 70 70 SER HB2 H 1 4.061 0.03 . 1 . 489 . . 70 SER HB2 . 19461 1 802 . 1 1 70 70 SER HB3 H 1 4.250 0.03 . 1 . 488 . . 70 SER HB3 . 19461 1 803 . 1 1 70 70 SER C C 13 172.211 0.2 . 1 . 138 . . 70 SER C . 19461 1 804 . 1 1 70 70 SER CA C 13 59.761 0.2 . 1 . 136 . . 70 SER CA . 19461 1 805 . 1 1 70 70 SER CB C 13 63.716 0.2 . 1 . 137 . . 70 SER CB . 19461 1 806 . 1 1 70 70 SER N N 15 117.805 0.2 . 1 . 135 . . 70 SER N . 19461 1 807 . 1 1 71 71 THR H H 1 8.376 0.03 . 1 . 139 . . 71 THR H . 19461 1 808 . 1 1 71 71 THR HA H 1 3.778 0.03 . 1 . 772 . . 71 THR HA . 19461 1 809 . 1 1 71 71 THR HB H 1 4.475 0.03 . 1 . 773 . . 71 THR HB . 19461 1 810 . 1 1 71 71 THR HG21 H 1 1.195 0.03 . 1 . 775 . . 71 THR HG21 . 19461 1 811 . 1 1 71 71 THR HG22 H 1 1.195 0.03 . 1 . 775 . . 71 THR HG22 . 19461 1 812 . 1 1 71 71 THR HG23 H 1 1.195 0.03 . 1 . 775 . . 71 THR HG23 . 19461 1 813 . 1 1 71 71 THR C C 13 177.680 0.2 . 1 . 143 . . 71 THR C . 19461 1 814 . 1 1 71 71 THR CA C 13 62.719 0.2 . 1 . 141 . . 71 THR CA . 19461 1 815 . 1 1 71 71 THR CB C 13 69.262 0.2 . 1 . 142 . . 71 THR CB . 19461 1 816 . 1 1 71 71 THR CG2 C 13 22.733 0.2 . 1 . 774 . . 71 THR CG2 . 19461 1 817 . 1 1 71 71 THR N N 15 111.247 0.2 . 1 . 140 . . 71 THR N . 19461 1 818 . 1 1 72 72 VAL H H 1 8.491 0.03 . 1 . 144 . . 72 VAL H . 19461 1 819 . 1 1 72 72 VAL HA H 1 3.894 0.03 . 1 . 485 . . 72 VAL HA . 19461 1 820 . 1 1 72 72 VAL HB H 1 1.973 0.03 . 1 . 486 . . 72 VAL HB . 19461 1 821 . 1 1 72 72 VAL HG11 H 1 1.121 0.03 . 2 . 771 . . 72 VAL HG11 . 19461 1 822 . 1 1 72 72 VAL HG12 H 1 1.121 0.03 . 2 . 771 . . 72 VAL HG12 . 19461 1 823 . 1 1 72 72 VAL HG13 H 1 1.121 0.03 . 2 . 771 . . 72 VAL HG13 . 19461 1 824 . 1 1 72 72 VAL HG21 H 1 0.973 0.03 . 2 . 770 . . 72 VAL HG21 . 19461 1 825 . 1 1 72 72 VAL HG22 H 1 0.973 0.03 . 2 . 770 . . 72 VAL HG22 . 19461 1 826 . 1 1 72 72 VAL HG23 H 1 0.973 0.03 . 2 . 770 . . 72 VAL HG23 . 19461 1 827 . 1 1 72 72 VAL C C 13 178.726 0.2 . 1 . 148 . . 72 VAL C . 19461 1 828 . 1 1 72 72 VAL CA C 13 66.203 0.2 . 1 . 146 . . 72 VAL CA . 19461 1 829 . 1 1 72 72 VAL CB C 13 32.209 0.2 . 1 . 147 . . 72 VAL CB . 19461 1 830 . 1 1 72 72 VAL CG1 C 13 21.202 0.2 . 2 . 769 . . 72 VAL CG1 . 19461 1 831 . 1 1 72 72 VAL CG2 C 13 23.844 0.2 . 2 . 768 . . 72 VAL CG2 . 19461 1 832 . 1 1 72 72 VAL N N 15 116.954 0.2 . 1 . 145 . . 72 VAL N . 19461 1 833 . 1 1 73 73 GLY H H 1 8.735 0.03 . 1 . 149 . . 73 GLY H . 19461 1 834 . 1 1 73 73 GLY HA2 H 1 3.610 0.03 . 2 . 766 . . 73 GLY HA2 . 19461 1 835 . 1 1 73 73 GLY HA3 H 1 3.828 0.03 . 2 . 767 . . 73 GLY HA3 . 19461 1 836 . 1 1 73 73 GLY C C 13 175.685 0.2 . 1 . 152 . . 73 GLY C . 19461 1 837 . 1 1 73 73 GLY CA C 13 47.647 0.2 . 1 . 151 . . 73 GLY CA . 19461 1 838 . 1 1 73 73 GLY N N 15 110.325 0.2 . 1 . 150 . . 73 GLY N . 19461 1 839 . 1 1 74 74 ASN H H 1 7.423 0.03 . 1 . 153 . . 74 ASN H . 19461 1 840 . 1 1 74 74 ASN HA H 1 4.683 0.03 . 1 . 512 . . 74 ASN HA . 19461 1 841 . 1 1 74 74 ASN HB3 H 1 2.961 0.03 . 1 . 513 . . 74 ASN HB3 . 19461 1 842 . 1 1 74 74 ASN HD21 H 1 7.746 0.03 . 1 . 944 . . 74 ASN HD21 . 19461 1 843 . 1 1 74 74 ASN HD22 H 1 7.065 0.03 . 1 . 946 . . 74 ASN HD22 . 19461 1 844 . 1 1 74 74 ASN C C 13 177.107 0.2 . 1 . 157 . . 74 ASN C . 19461 1 845 . 1 1 74 74 ASN CA C 13 56.355 0.2 . 1 . 155 . . 74 ASN CA . 19461 1 846 . 1 1 74 74 ASN CB C 13 38.305 0.2 . 1 . 156 . . 74 ASN CB . 19461 1 847 . 1 1 74 74 ASN N N 15 120.596 0.2 . 1 . 154 . . 74 ASN N . 19461 1 848 . 1 1 74 74 ASN ND2 N 15 112.754 0.2 . 1 . 945 . . 74 ASN ND2 . 19461 1 849 . 1 1 75 75 ILE H H 1 7.781 0.03 . 1 . 158 . . 75 ILE H . 19461 1 850 . 1 1 75 75 ILE HA H 1 4.159 0.03 . 1 . 522 . . 75 ILE HA . 19461 1 851 . 1 1 75 75 ILE HB H 1 2.136 0.03 . 1 . 761 . . 75 ILE HB . 19461 1 852 . 1 1 75 75 ILE HG12 H 1 1.193 0.03 . 2 . 762 . . 75 ILE HG12 . 19461 1 853 . 1 1 75 75 ILE HG13 H 1 1.725 0.03 . 2 . 763 . . 75 ILE HG13 . 19461 1 854 . 1 1 75 75 ILE HG21 H 1 1.099 0.03 . 1 . 764 . . 75 ILE HG21 . 19461 1 855 . 1 1 75 75 ILE HG22 H 1 1.099 0.03 . 1 . 764 . . 75 ILE HG22 . 19461 1 856 . 1 1 75 75 ILE HG23 H 1 1.099 0.03 . 1 . 764 . . 75 ILE HG23 . 19461 1 857 . 1 1 75 75 ILE HD11 H 1 0.949 0.03 . 1 . 765 . . 75 ILE HD11 . 19461 1 858 . 1 1 75 75 ILE HD12 H 1 0.949 0.03 . 1 . 765 . . 75 ILE HD12 . 19461 1 859 . 1 1 75 75 ILE HD13 H 1 0.949 0.03 . 1 . 765 . . 75 ILE HD13 . 19461 1 860 . 1 1 75 75 ILE C C 13 177.986 0.2 . 1 . 162 . . 75 ILE C . 19461 1 861 . 1 1 75 75 ILE CA C 13 65.450 0.2 . 1 . 161 . . 75 ILE CA . 19461 1 862 . 1 1 75 75 ILE CB C 13 39.421 0.2 . 1 . 160 . . 75 ILE CB . 19461 1 863 . 1 1 75 75 ILE CG1 C 13 29.724 0.2 . 1 . 758 . . 75 ILE CG1 . 19461 1 864 . 1 1 75 75 ILE CG2 C 13 17.769 0.2 . 1 . 759 . . 75 ILE CG2 . 19461 1 865 . 1 1 75 75 ILE CD1 C 13 15.854 0.2 . 1 . 760 . . 75 ILE CD1 . 19461 1 866 . 1 1 75 75 ILE N N 15 119.807 0.2 . 1 . 159 . . 75 ILE N . 19461 1 867 . 1 1 76 76 SER H H 1 8.338 0.03 . 1 . 163 . . 76 SER H . 19461 1 868 . 1 1 76 76 SER HA H 1 4.427 0.03 . 1 . 497 . . 76 SER HA . 19461 1 869 . 1 1 76 76 SER HB2 H 1 3.580 0.03 . 2 . 757 . . 76 SER HB2 . 19461 1 870 . 1 1 76 76 SER HB3 H 1 3.491 0.03 . 2 . 756 . . 76 SER HB3 . 19461 1 871 . 1 1 76 76 SER C C 13 175.748 0.2 . 1 . 165 . . 76 SER C . 19461 1 872 . 1 1 76 76 SER CA C 13 61.830 0.2 . 1 . 167 . . 76 SER CA . 19461 1 873 . 1 1 76 76 SER CB C 13 63.000 0.2 . 1 . 166 . . 76 SER CB . 19461 1 874 . 1 1 76 76 SER N N 15 111.929 0.2 . 1 . 164 . . 76 SER N . 19461 1 875 . 1 1 77 77 ASN H H 1 7.451 0.03 . 1 . 168 . . 77 ASN H . 19461 1 876 . 1 1 77 77 ASN HA H 1 4.411 0.03 . 1 . 510 . . 77 ASN HA . 19461 1 877 . 1 1 77 77 ASN HB2 H 1 2.989 0.03 . 2 . 755 . . 77 ASN HB2 . 19461 1 878 . 1 1 77 77 ASN HB3 H 1 2.888 0.03 . 2 . 511 . . 77 ASN HB3 . 19461 1 879 . 1 1 77 77 ASN HD21 H 1 6.834 0.03 . 1 . 674 . . 77 ASN HD21 . 19461 1 880 . 1 1 77 77 ASN HD22 H 1 7.792 0.03 . 1 . 673 . . 77 ASN HD22 . 19461 1 881 . 1 1 77 77 ASN C C 13 177.626 0.2 . 1 . 172 . . 77 ASN C . 19461 1 882 . 1 1 77 77 ASN CA C 13 56.713 0.2 . 1 . 170 . . 77 ASN CA . 19461 1 883 . 1 1 77 77 ASN CB C 13 38.779 0.2 . 1 . 171 . . 77 ASN CB . 19461 1 884 . 1 1 77 77 ASN N N 15 119.025 0.2 . 1 . 169 . . 77 ASN N . 19461 1 885 . 1 1 77 77 ASN ND2 N 15 112.846 0.2 . 1 . 672 . . 77 ASN ND2 . 19461 1 886 . 1 1 78 78 ASP H H 1 8.046 0.03 . 1 . 173 . . 78 ASP H . 19461 1 887 . 1 1 78 78 ASP HA H 1 4.151 0.03 . 1 . 606 . . 78 ASP HA . 19461 1 888 . 1 1 78 78 ASP HB2 H 1 3.094 0.03 . 1 . 607 . . 78 ASP HB2 . 19461 1 889 . 1 1 78 78 ASP HB3 H 1 2.236 0.03 . 1 . 608 . . 78 ASP HB3 . 19461 1 890 . 1 1 78 78 ASP C C 13 178.541 0.2 . 1 . 177 . . 78 ASP C . 19461 1 891 . 1 1 78 78 ASP CA C 13 57.442 0.2 . 1 . 176 . . 78 ASP CA . 19461 1 892 . 1 1 78 78 ASP CB C 13 39.677 0.2 . 1 . 175 . . 78 ASP CB . 19461 1 893 . 1 1 78 78 ASP N N 15 120.004 0.2 . 1 . 174 . . 78 ASP N . 19461 1 894 . 1 1 79 79 ILE H H 1 7.979 0.03 . 1 . 178 . . 79 ILE H . 19461 1 895 . 1 1 79 79 ILE HA H 1 2.964 0.03 . 1 . 600 . . 79 ILE HA . 19461 1 896 . 1 1 79 79 ILE HB H 1 1.421 0.03 . 1 . 601 . . 79 ILE HB . 19461 1 897 . 1 1 79 79 ILE HG12 H 1 0.244 0.03 . 2 . 752 . . 79 ILE HG12 . 19461 1 898 . 1 1 79 79 ILE HG13 H 1 1.525 0.03 . 2 . 753 . . 79 ILE HG13 . 19461 1 899 . 1 1 79 79 ILE HG21 H 1 0.515 0.03 . 1 . 751 . . 79 ILE HG21 . 19461 1 900 . 1 1 79 79 ILE HG22 H 1 0.515 0.03 . 1 . 751 . . 79 ILE HG22 . 19461 1 901 . 1 1 79 79 ILE HG23 H 1 0.515 0.03 . 1 . 751 . . 79 ILE HG23 . 19461 1 902 . 1 1 79 79 ILE HD11 H 1 0.376 0.03 . 1 . 754 . . 79 ILE HD11 . 19461 1 903 . 1 1 79 79 ILE HD12 H 1 0.376 0.03 . 1 . 754 . . 79 ILE HD12 . 19461 1 904 . 1 1 79 79 ILE HD13 H 1 0.376 0.03 . 1 . 754 . . 79 ILE HD13 . 19461 1 905 . 1 1 79 79 ILE C C 13 178.968 0.2 . 1 . 182 . . 79 ILE C . 19461 1 906 . 1 1 79 79 ILE CA C 13 66.311 0.2 . 1 . 180 . . 79 ILE CA . 19461 1 907 . 1 1 79 79 ILE CB C 13 38.458 0.2 . 1 . 181 . . 79 ILE CB . 19461 1 908 . 1 1 79 79 ILE CG1 C 13 30.849 0.2 . 1 . 748 . . 79 ILE CG1 . 19461 1 909 . 1 1 79 79 ILE CG2 C 13 17.111 0.2 . 1 . 749 . . 79 ILE CG2 . 19461 1 910 . 1 1 79 79 ILE CD1 C 13 15.459 0.2 . 1 . 750 . . 79 ILE CD1 . 19461 1 911 . 1 1 79 79 ILE N N 15 118.332 0.2 . 1 . 179 . . 79 ILE N . 19461 1 912 . 1 1 80 80 ASN H H 1 8.113 0.03 . 1 . 183 . . 80 ASN H . 19461 1 913 . 1 1 80 80 ASN HA H 1 4.608 0.03 . 1 . 508 . . 80 ASN HA . 19461 1 914 . 1 1 80 80 ASN HB2 H 1 2.959 0.03 . 2 . 747 . . 80 ASN HB2 . 19461 1 915 . 1 1 80 80 ASN HB3 H 1 2.796 0.03 . 2 . 509 . . 80 ASN HB3 . 19461 1 916 . 1 1 80 80 ASN HD21 H 1 7.820 0.03 . 1 . 653 . . 80 ASN HD21 . 19461 1 917 . 1 1 80 80 ASN HD22 H 1 7.211 0.03 . 1 . 654 . . 80 ASN HD22 . 19461 1 918 . 1 1 80 80 ASN C C 13 178.237 0.2 . 1 . 187 . . 80 ASN C . 19461 1 919 . 1 1 80 80 ASN CA C 13 56.355 0.2 . 1 . 185 . . 80 ASN CA . 19461 1 920 . 1 1 80 80 ASN CB C 13 38.139 0.2 . 1 . 186 . . 80 ASN CB . 19461 1 921 . 1 1 80 80 ASN N N 15 117.970 0.2 . 1 . 184 . . 80 ASN N . 19461 1 922 . 1 1 80 80 ASN ND2 N 15 113.268 0.2 . 1 . 652 . . 80 ASN ND2 . 19461 1 923 . 1 1 81 81 LYS H H 1 7.868 0.03 . 1 . 188 . . 81 LYS H . 19461 1 924 . 1 1 81 81 LYS HA H 1 4.161 0.03 . 1 . 542 . . 81 LYS HA . 19461 1 925 . 1 1 81 81 LYS HB2 H 1 1.884 0.03 . 2 . 543 . . 81 LYS HB2 . 19461 1 926 . 1 1 81 81 LYS HB3 H 1 1.755 0.03 . 2 . 742 . . 81 LYS HB3 . 19461 1 927 . 1 1 81 81 LYS HG2 H 1 1.454 0.03 . 2 . 743 . . 81 LYS HG2 . 19461 1 928 . 1 1 81 81 LYS HG3 H 1 1.530 0.03 . 2 . 544 . . 81 LYS HG3 . 19461 1 929 . 1 1 81 81 LYS HD3 H 1 1.706 0.03 . 1 . 744 . . 81 LYS HD3 . 19461 1 930 . 1 1 81 81 LYS HE2 H 1 2.820 0.03 . 2 . 745 . . 81 LYS HE2 . 19461 1 931 . 1 1 81 81 LYS HE3 H 1 2.956 0.03 . 2 . 746 . . 81 LYS HE3 . 19461 1 932 . 1 1 81 81 LYS C C 13 177.801 0.2 . 1 . 192 . . 81 LYS C . 19461 1 933 . 1 1 81 81 LYS CA C 13 58.501 0.2 . 1 . 191 . . 81 LYS CA . 19461 1 934 . 1 1 81 81 LYS CB C 13 33.131 0.2 . 1 . 190 . . 81 LYS CB . 19461 1 935 . 1 1 81 81 LYS CG C 13 25.319 0.2 . 1 . 741 . . 81 LYS CG . 19461 1 936 . 1 1 81 81 LYS CD C 13 29.365 0.2 . 1 . 740 . . 81 LYS CD . 19461 1 937 . 1 1 81 81 LYS CE C 13 41.956 0.2 . 1 . 739 . . 81 LYS CE . 19461 1 938 . 1 1 81 81 LYS N N 15 119.699 0.2 . 1 . 189 . . 81 LYS N . 19461 1 939 . 1 1 82 82 LEU H H 1 7.324 0.03 . 1 . 193 . . 82 LEU H . 19461 1 940 . 1 1 82 82 LEU HA H 1 4.066 0.03 . 1 . 536 . . 82 LEU HA . 19461 1 941 . 1 1 82 82 LEU HB2 H 1 1.367 0.03 . 1 . 736 . . 82 LEU HB2 . 19461 1 942 . 1 1 82 82 LEU HB3 H 1 1.736 0.03 . 1 . 537 . . 82 LEU HB3 . 19461 1 943 . 1 1 82 82 LEU HG H 1 0.620 0.03 . 1 . 737 . . 82 LEU HG . 19461 1 944 . 1 1 82 82 LEU HD21 H 1 0.861 0.03 . 1 . 738 . . 82 LEU HD21 . 19461 1 945 . 1 1 82 82 LEU HD22 H 1 0.861 0.03 . 1 . 738 . . 82 LEU HD22 . 19461 1 946 . 1 1 82 82 LEU HD23 H 1 0.861 0.03 . 1 . 738 . . 82 LEU HD23 . 19461 1 947 . 1 1 82 82 LEU C C 13 177.135 0.2 . 1 . 197 . . 82 LEU C . 19461 1 948 . 1 1 82 82 LEU CA C 13 56.664 0.2 . 1 . 196 . . 82 LEU CA . 19461 1 949 . 1 1 82 82 LEU CB C 13 43.827 0.2 . 1 . 195 . . 82 LEU CB . 19461 1 950 . 1 1 82 82 LEU CG C 13 26.655 0.2 . 1 . 734 . . 82 LEU CG . 19461 1 951 . 1 1 82 82 LEU CD2 C 13 23.325 0.2 . 1 . 735 . . 82 LEU CD2 . 19461 1 952 . 1 1 82 82 LEU N N 15 118.756 0.2 . 1 . 194 . . 82 LEU N . 19461 1 953 . 1 1 83 83 ASN H H 1 7.514 0.03 . 1 . 940 . . 83 ASN H . 19461 1 954 . 1 1 83 83 ASN HA H 1 4.373 0.03 . 1 . 733 . . 83 ASN HA . 19461 1 955 . 1 1 83 83 ASN HB2 H 1 3.040 0.03 . 1 . 732 . . 83 ASN HB2 . 19461 1 956 . 1 1 83 83 ASN HB3 H 1 3.162 0.03 . 1 . 731 . . 83 ASN HB3 . 19461 1 957 . 1 1 83 83 ASN HD21 H 1 7.360 0.03 . 1 . 952 . . 83 ASN HD21 . 19461 1 958 . 1 1 83 83 ASN HD22 H 1 6.608 0.03 . 1 . 950 . . 83 ASN HD22 . 19461 1 959 . 1 1 83 83 ASN C C 13 174.138 0.2 . 1 . 938 . . 83 ASN C . 19461 1 960 . 1 1 83 83 ASN CA C 13 54.273 0.2 . 1 . 936 . . 83 ASN CA . 19461 1 961 . 1 1 83 83 ASN CB C 13 37.576 0.2 . 1 . 937 . . 83 ASN CB . 19461 1 962 . 1 1 83 83 ASN N N 15 116.487 0.2 . 1 . 939 . . 83 ASN N . 19461 1 963 . 1 1 83 83 ASN ND2 N 15 110.663 0.2 . 1 . 951 . . 83 ASN ND2 . 19461 1 964 . 1 1 84 84 ILE H H 1 9.273 0.03 . 1 . 198 . . 84 ILE H . 19461 1 965 . 1 1 84 84 ILE HA H 1 3.690 0.03 . 1 . 518 . . 84 ILE HA . 19461 1 966 . 1 1 84 84 ILE HB H 1 1.790 0.03 . 1 . 519 . . 84 ILE HB . 19461 1 967 . 1 1 84 84 ILE HG12 H 1 1.598 0.03 . 2 . 728 . . 84 ILE HG12 . 19461 1 968 . 1 1 84 84 ILE HG13 H 1 0.913 0.03 . 2 . 727 . . 84 ILE HG13 . 19461 1 969 . 1 1 84 84 ILE HG21 H 1 0.784 0.03 . 1 . 729 . . 84 ILE HG21 . 19461 1 970 . 1 1 84 84 ILE HG22 H 1 0.784 0.03 . 1 . 729 . . 84 ILE HG22 . 19461 1 971 . 1 1 84 84 ILE HG23 H 1 0.784 0.03 . 1 . 729 . . 84 ILE HG23 . 19461 1 972 . 1 1 84 84 ILE HD11 H 1 0.758 0.03 . 1 . 730 . . 84 ILE HD11 . 19461 1 973 . 1 1 84 84 ILE HD12 H 1 0.758 0.03 . 1 . 730 . . 84 ILE HD12 . 19461 1 974 . 1 1 84 84 ILE HD13 H 1 0.758 0.03 . 1 . 730 . . 84 ILE HD13 . 19461 1 975 . 1 1 84 84 ILE C C 13 175.121 0.2 . 1 . 202 . . 84 ILE C . 19461 1 976 . 1 1 84 84 ILE CA C 13 63.282 0.2 . 1 . 201 . . 84 ILE CA . 19461 1 977 . 1 1 84 84 ILE CB C 13 38.791 0.2 . 1 . 200 . . 84 ILE CB . 19461 1 978 . 1 1 84 84 ILE CG1 C 13 28.830 0.2 . 1 . 724 . . 84 ILE CG1 . 19461 1 979 . 1 1 84 84 ILE CG2 C 13 18.856 0.2 . 1 . 725 . . 84 ILE CG2 . 19461 1 980 . 1 1 84 84 ILE CD1 C 13 14.873 0.2 . 1 . 726 . . 84 ILE CD1 . 19461 1 981 . 1 1 84 84 ILE N N 15 121.616 0.2 . 1 . 199 . . 84 ILE N . 19461 1 982 . 1 1 85 85 LYS H H 1 8.158 0.03 . 1 . 203 . . 85 LYS H . 19461 1 983 . 1 1 85 85 LYS HA H 1 5.244 0.03 . 1 . 541 . . 85 LYS HA . 19461 1 984 . 1 1 85 85 LYS HB2 H 1 1.745 0.03 . 2 . 717 . . 85 LYS HB2 . 19461 1 985 . 1 1 85 85 LYS HB3 H 1 1.636 0.03 . 2 . 716 . . 85 LYS HB3 . 19461 1 986 . 1 1 85 85 LYS HG2 H 1 1.307 0.03 . 2 . 719 . . 85 LYS HG2 . 19461 1 987 . 1 1 85 85 LYS HG3 H 1 1.238 0.03 . 2 . 718 . . 85 LYS HG3 . 19461 1 988 . 1 1 85 85 LYS HD2 H 1 1.702 0.03 . 2 . 723 . . 85 LYS HD2 . 19461 1 989 . 1 1 85 85 LYS HD3 H 1 1.586 0.03 . 2 . 722 . . 85 LYS HD3 . 19461 1 990 . 1 1 85 85 LYS HE2 H 1 2.813 0.03 . 2 . 720 . . 85 LYS HE2 . 19461 1 991 . 1 1 85 85 LYS HE3 H 1 2.987 0.03 . 2 . 721 . . 85 LYS HE3 . 19461 1 992 . 1 1 85 85 LYS C C 13 176.410 0.2 . 1 . 207 . . 85 LYS C . 19461 1 993 . 1 1 85 85 LYS CA C 13 54.843 0.2 . 1 . 205 . . 85 LYS CA . 19461 1 994 . 1 1 85 85 LYS CB C 13 35.868 0.2 . 1 . 206 . . 85 LYS CB . 19461 1 995 . 1 1 85 85 LYS CG C 13 25.204 0.2 . 1 . 714 . . 85 LYS CG . 19461 1 996 . 1 1 85 85 LYS CD C 13 29.580 0.2 . 1 . 713 . . 85 LYS CD . 19461 1 997 . 1 1 85 85 LYS CE C 13 42.441 0.2 . 1 . 715 . . 85 LYS CE . 19461 1 998 . 1 1 85 85 LYS N N 15 126.973 0.2 . 1 . 204 . . 85 LYS N . 19461 1 999 . 1 1 86 86 GLY H H 1 8.511 0.03 . 1 . 208 . . 86 GLY H . 19461 1 1000 . 1 1 86 86 GLY HA2 H 1 4.256 0.03 . 2 . 471 . . 86 GLY HA2 . 19461 1 1001 . 1 1 86 86 GLY HA3 H 1 3.427 0.03 . 2 . 470 . . 86 GLY HA3 . 19461 1 1002 . 1 1 86 86 GLY C C 13 171.094 0.2 . 1 . 211 . . 86 GLY C . 19461 1 1003 . 1 1 86 86 GLY CA C 13 43.155 0.2 . 1 . 210 . . 86 GLY CA . 19461 1 1004 . 1 1 86 86 GLY N N 15 108.010 0.2 . 1 . 209 . . 86 GLY N . 19461 1 1005 . 1 1 87 87 PRO HA H 1 5.130 0.03 . 1 . 671 . . 87 PRO HA . 19461 1 1006 . 1 1 87 87 PRO HB2 H 1 1.713 0.03 . 2 . 670 . . 87 PRO HB2 . 19461 1 1007 . 1 1 87 87 PRO HB3 H 1 2.258 0.03 . 2 . 669 . . 87 PRO HB3 . 19461 1 1008 . 1 1 87 87 PRO HG3 H 1 1.804 0.03 . 1 . 667 . . 87 PRO HG3 . 19461 1 1009 . 1 1 87 87 PRO HD2 H 1 3.519 0.03 . 2 . 666 . . 87 PRO HD2 . 19461 1 1010 . 1 1 87 87 PRO HD3 H 1 3.583 0.03 . 2 . 668 . . 87 PRO HD3 . 19461 1 1011 . 1 1 87 87 PRO C C 13 176.037 0.2 . 1 . 429 . . 87 PRO C . 19461 1 1012 . 1 1 87 87 PRO CA C 13 60.398 0.2 . 1 . 428 . . 87 PRO CA . 19461 1 1013 . 1 1 87 87 PRO CB C 13 34.149 0.2 . 1 . 427 . . 87 PRO CB . 19461 1 1014 . 1 1 87 87 PRO CG C 13 25.234 0.2 . 1 . 665 . . 87 PRO CG . 19461 1 1015 . 1 1 87 87 PRO CD C 13 50.869 0.2 . 1 . 664 . . 87 PRO CD . 19461 1 1016 . 1 1 88 88 TYR H H 1 8.404 0.03 . 1 . 422 . . 88 TYR H . 19461 1 1017 . 1 1 88 88 TYR HA H 1 4.446 0.03 . 1 . 576 . . 88 TYR HA . 19461 1 1018 . 1 1 88 88 TYR HB2 H 1 3.009 0.03 . 2 . 711 . . 88 TYR HB2 . 19461 1 1019 . 1 1 88 88 TYR HB3 H 1 3.120 0.03 . 2 . 712 . . 88 TYR HB3 . 19461 1 1020 . 1 1 88 88 TYR HD1 H 1 7.097 0.03 . 3 . 1030 . . 88 TYR HD1 . 19461 1 1021 . 1 1 88 88 TYR HD2 H 1 7.097 0.03 . 3 . 1030 . . 88 TYR HD2 . 19461 1 1022 . 1 1 88 88 TYR HE1 H 1 6.806 0.03 . 3 . 1029 . . 88 TYR HE1 . 19461 1 1023 . 1 1 88 88 TYR HE2 H 1 6.806 0.03 . 3 . 1029 . . 88 TYR HE2 . 19461 1 1024 . 1 1 88 88 TYR C C 13 174.171 0.2 . 1 . 424 . . 88 TYR C . 19461 1 1025 . 1 1 88 88 TYR CA C 13 60.384 0.2 . 1 . 425 . . 88 TYR CA . 19461 1 1026 . 1 1 88 88 TYR CB C 13 41.200 0.2 . 1 . 426 . . 88 TYR CB . 19461 1 1027 . 1 1 88 88 TYR N N 15 123.482 0.2 . 1 . 423 . . 88 TYR N . 19461 1 1028 . 1 1 89 89 ILE H H 1 9.678 0.03 . 1 . 417 . . 89 ILE H . 19461 1 1029 . 1 1 89 89 ILE HA H 1 4.997 0.03 . 1 . 450 . . 89 ILE HA . 19461 1 1030 . 1 1 89 89 ILE HB H 1 1.498 0.03 . 1 . 707 . . 89 ILE HB . 19461 1 1031 . 1 1 89 89 ILE HG12 H 1 0.846 0.03 . 2 . 709 . . 89 ILE HG12 . 19461 1 1032 . 1 1 89 89 ILE HG13 H 1 1.523 0.03 . 2 . 708 . . 89 ILE HG13 . 19461 1 1033 . 1 1 89 89 ILE HG21 H 1 0.768 0.03 . 1 . 710 . . 89 ILE HG21 . 19461 1 1034 . 1 1 89 89 ILE HG22 H 1 0.768 0.03 . 1 . 710 . . 89 ILE HG22 . 19461 1 1035 . 1 1 89 89 ILE HG23 H 1 0.768 0.03 . 1 . 710 . . 89 ILE HG23 . 19461 1 1036 . 1 1 89 89 ILE HD11 H 1 0.782 0.03 . 1 . 451 . . 89 ILE HD11 . 19461 1 1037 . 1 1 89 89 ILE HD12 H 1 0.782 0.03 . 1 . 451 . . 89 ILE HD12 . 19461 1 1038 . 1 1 89 89 ILE HD13 H 1 0.782 0.03 . 1 . 451 . . 89 ILE HD13 . 19461 1 1039 . 1 1 89 89 ILE C C 13 174.983 0.2 . 1 . 421 . . 89 ILE C . 19461 1 1040 . 1 1 89 89 ILE CA C 13 60.598 0.2 . 1 . 420 . . 89 ILE CA . 19461 1 1041 . 1 1 89 89 ILE CB C 13 40.860 0.2 . 1 . 419 . . 89 ILE CB . 19461 1 1042 . 1 1 89 89 ILE CG1 C 13 29.190 0.2 . 1 . 704 . . 89 ILE CG1 . 19461 1 1043 . 1 1 89 89 ILE CG2 C 13 18.704 0.2 . 1 . 705 . . 89 ILE CG2 . 19461 1 1044 . 1 1 89 89 ILE CD1 C 13 15.897 0.2 . 1 . 706 . . 89 ILE CD1 . 19461 1 1045 . 1 1 89 89 ILE N N 15 129.935 0.2 . 1 . 418 . . 89 ILE N . 19461 1 1046 . 1 1 90 90 GLU H H 1 9.280 0.03 . 1 . 412 . . 90 GLU H . 19461 1 1047 . 1 1 90 90 GLU HA H 1 4.612 0.03 . 1 . 566 . . 90 GLU HA . 19461 1 1048 . 1 1 90 90 GLU HB2 H 1 2.003 0.03 . 2 . 703 . . 90 GLU HB2 . 19461 1 1049 . 1 1 90 90 GLU HB3 H 1 1.874 0.03 . 2 . 567 . . 90 GLU HB3 . 19461 1 1050 . 1 1 90 90 GLU HG2 H 1 2.150 0.03 . 2 . 568 . . 90 GLU HG2 . 19461 1 1051 . 1 1 90 90 GLU HG3 H 1 2.116 0.03 . 2 . 569 . . 90 GLU HG3 . 19461 1 1052 . 1 1 90 90 GLU C C 13 174.418 0.2 . 1 . 416 . . 90 GLU C . 19461 1 1053 . 1 1 90 90 GLU CA C 13 55.470 0.2 . 1 . 414 . . 90 GLU CA . 19461 1 1054 . 1 1 90 90 GLU CB C 13 35.100 0.2 . 1 . 415 . . 90 GLU CB . 19461 1 1055 . 1 1 90 90 GLU CG C 13 37.659 0.2 . 1 . 702 . . 90 GLU CG . 19461 1 1056 . 1 1 90 90 GLU N N 15 126.110 0.2 . 1 . 413 . . 90 GLU N . 19461 1 1057 . 1 1 91 91 ILE H H 1 8.824 0.03 . 1 . 407 . . 91 ILE H . 19461 1 1058 . 1 1 91 91 ILE HA H 1 5.556 0.03 . 1 . 515 . . 91 ILE HA . 19461 1 1059 . 1 1 91 91 ILE HB H 1 1.975 0.03 . 1 . 516 . . 91 ILE HB . 19461 1 1060 . 1 1 91 91 ILE HG12 H 1 1.636 0.03 . 2 . 700 . . 91 ILE HG12 . 19461 1 1061 . 1 1 91 91 ILE HG13 H 1 1.199 0.03 . 2 . 699 . . 91 ILE HG13 . 19461 1 1062 . 1 1 91 91 ILE HG21 H 1 1.102 0.03 . 1 . 701 . . 91 ILE HG21 . 19461 1 1063 . 1 1 91 91 ILE HG22 H 1 1.102 0.03 . 1 . 701 . . 91 ILE HG22 . 19461 1 1064 . 1 1 91 91 ILE HG23 H 1 1.102 0.03 . 1 . 701 . . 91 ILE HG23 . 19461 1 1065 . 1 1 91 91 ILE HD11 H 1 0.872 0.03 . 1 . 517 . . 91 ILE HD11 . 19461 1 1066 . 1 1 91 91 ILE HD12 H 1 0.872 0.03 . 1 . 517 . . 91 ILE HD12 . 19461 1 1067 . 1 1 91 91 ILE HD13 H 1 0.872 0.03 . 1 . 517 . . 91 ILE HD13 . 19461 1 1068 . 1 1 91 91 ILE C C 13 174.841 0.2 . 1 . 411 . . 91 ILE C . 19461 1 1069 . 1 1 91 91 ILE CA C 13 61.286 0.2 . 1 . 409 . . 91 ILE CA . 19461 1 1070 . 1 1 91 91 ILE CB C 13 39.723 0.2 . 1 . 410 . . 91 ILE CB . 19461 1 1071 . 1 1 91 91 ILE CG1 C 13 29.602 0.2 . 1 . 696 . . 91 ILE CG1 . 19461 1 1072 . 1 1 91 91 ILE CG2 C 13 18.951 0.2 . 1 . 697 . . 91 ILE CG2 . 19461 1 1073 . 1 1 91 91 ILE CD1 C 13 16.185 0.2 . 1 . 698 . . 91 ILE CD1 . 19461 1 1074 . 1 1 91 91 ILE N N 15 125.818 0.2 . 1 . 408 . . 91 ILE N . 19461 1 1075 . 1 1 92 92 LYS H H 1 9.120 0.03 . 1 . 402 . . 92 LYS H . 19461 1 1076 . 1 1 92 92 LYS HA H 1 5.010 0.03 . 1 . 538 . . 92 LYS HA . 19461 1 1077 . 1 1 92 92 LYS HB2 H 1 1.761 0.03 . 2 . 539 . . 92 LYS HB2 . 19461 1 1078 . 1 1 92 92 LYS HB3 H 1 1.699 0.03 . 2 . 690 . . 92 LYS HB3 . 19461 1 1079 . 1 1 92 92 LYS HG2 H 1 1.239 0.03 . 2 . 540 . . 92 LYS HG2 . 19461 1 1080 . 1 1 92 92 LYS HG3 H 1 1.146 0.03 . 2 . 691 . . 92 LYS HG3 . 19461 1 1081 . 1 1 92 92 LYS HD2 H 1 1.245 0.03 . 2 . 693 . . 92 LYS HD2 . 19461 1 1082 . 1 1 92 92 LYS HD3 H 1 1.298 0.03 . 2 . 692 . . 92 LYS HD3 . 19461 1 1083 . 1 1 92 92 LYS HE2 H 1 2.842 0.03 . 2 . 694 . . 92 LYS HE2 . 19461 1 1084 . 1 1 92 92 LYS HE3 H 1 2.739 0.03 . 2 . 695 . . 92 LYS HE3 . 19461 1 1085 . 1 1 92 92 LYS C C 13 174.100 0.2 . 1 . 406 . . 92 LYS C . 19461 1 1086 . 1 1 92 92 LYS CA C 13 55.154 0.2 . 1 . 404 . . 92 LYS CA . 19461 1 1087 . 1 1 92 92 LYS CB C 13 36.608 0.2 . 1 . 405 . . 92 LYS CB . 19461 1 1088 . 1 1 92 92 LYS CG C 13 24.179 0.2 . 1 . 687 . . 92 LYS CG . 19461 1 1089 . 1 1 92 92 LYS CD C 13 29.752 0.2 . 1 . 688 . . 92 LYS CD . 19461 1 1090 . 1 1 92 92 LYS CE C 13 41.749 0.2 . 1 . 689 . . 92 LYS CE . 19461 1 1091 . 1 1 92 92 LYS N N 15 122.197 0.2 . 1 . 403 . . 92 LYS N . 19461 1 1092 . 1 1 93 93 GLN H H 1 8.236 0.03 . 1 . 397 . . 93 GLN H . 19461 1 1093 . 1 1 93 93 GLN HA H 1 3.691 0.03 . 1 . 455 . . 93 GLN HA . 19461 1 1094 . 1 1 93 93 GLN HB2 H 1 1.512 0.03 . 1 . 602 . . 93 GLN HB2 . 19461 1 1095 . 1 1 93 93 GLN HB3 H 1 0.969 0.03 . 1 . 684 . . 93 GLN HB3 . 19461 1 1096 . 1 1 93 93 GLN HG2 H 1 1.047 0.03 . 2 . 685 . . 93 GLN HG2 . 19461 1 1097 . 1 1 93 93 GLN HG3 H 1 2.372 0.03 . 2 . 686 . . 93 GLN HG3 . 19461 1 1098 . 1 1 93 93 GLN HE21 H 1 6.659 0.03 . 1 . 967 . . 93 GLN HE21 . 19461 1 1099 . 1 1 93 93 GLN HE22 H 1 6.997 0.03 . 1 . 965 . . 93 GLN HE22 . 19461 1 1100 . 1 1 93 93 GLN C C 13 175.728 0.2 . 1 . 401 . . 93 GLN C . 19461 1 1101 . 1 1 93 93 GLN CA C 13 57.076 0.2 . 1 . 400 . . 93 GLN CA . 19461 1 1102 . 1 1 93 93 GLN CB C 13 29.128 0.2 . 1 . 399 . . 93 GLN CB . 19461 1 1103 . 1 1 93 93 GLN CG C 13 34.069 0.2 . 1 . 683 . . 93 GLN CG . 19461 1 1104 . 1 1 93 93 GLN N N 15 123.920 0.2 . 1 . 398 . . 93 GLN N . 19461 1 1105 . 1 1 93 93 GLN NE2 N 15 111.699 0.2 . 1 . 966 . . 93 GLN NE2 . 19461 1 1106 . 1 1 94 94 ILE H H 1 7.802 0.03 . 1 . 392 . . 94 ILE H . 19461 1 1107 . 1 1 94 94 ILE HA H 1 4.227 0.03 . 1 . 453 . . 94 ILE HA . 19461 1 1108 . 1 1 94 94 ILE HB H 1 1.969 0.03 . 1 . 454 . . 94 ILE HB . 19461 1 1109 . 1 1 94 94 ILE HG12 H 1 0.634 0.03 . 2 . 679 . . 94 ILE HG12 . 19461 1 1110 . 1 1 94 94 ILE HG13 H 1 1.129 0.03 . 2 . 678 . . 94 ILE HG13 . 19461 1 1111 . 1 1 94 94 ILE HG21 H 1 0.910 0.03 . 1 . 680 . . 94 ILE HG21 . 19461 1 1112 . 1 1 94 94 ILE HG22 H 1 0.910 0.03 . 1 . 680 . . 94 ILE HG22 . 19461 1 1113 . 1 1 94 94 ILE HG23 H 1 0.910 0.03 . 1 . 680 . . 94 ILE HG23 . 19461 1 1114 . 1 1 94 94 ILE HD11 H 1 0.695 0.03 . 1 . 681 . . 94 ILE HD11 . 19461 1 1115 . 1 1 94 94 ILE HD12 H 1 0.695 0.03 . 1 . 681 . . 94 ILE HD12 . 19461 1 1116 . 1 1 94 94 ILE HD13 H 1 0.695 0.03 . 1 . 681 . . 94 ILE HD13 . 19461 1 1117 . 1 1 94 94 ILE C C 13 180.333 0.2 . 1 . 396 . . 94 ILE C . 19461 1 1118 . 1 1 94 94 ILE CA C 13 62.471 0.2 . 1 . 394 . . 94 ILE CA . 19461 1 1119 . 1 1 94 94 ILE CB C 13 40.563 0.2 . 1 . 395 . . 94 ILE CB . 19461 1 1120 . 1 1 94 94 ILE CG1 C 13 26.884 0.2 . 1 . 676 . . 94 ILE CG1 . 19461 1 1121 . 1 1 94 94 ILE CG2 C 13 18.685 0.2 . 1 . 675 . . 94 ILE CG2 . 19461 1 1122 . 1 1 94 94 ILE CD1 C 13 14.819 0.2 . 1 . 677 . . 94 ILE CD1 . 19461 1 1123 . 1 1 94 94 ILE N N 15 125.497 0.2 . 1 . 393 . . 94 ILE N . 19461 1 stop_ save_