data_15459 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15459 _Entry.Title ; TolR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-05 _Entry.Accession_date 2007-09-05 _Entry.Last_release_date 2008-06-25 _Entry.Original_release_date 2008-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift assignments for Haemophilus influenzae TolR residues 59-130 plus an N-terminal G-S' _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 Lisa Parsons . M. . 15459 2 Ad Bax . . . 15459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 15459 '15N chemical shifts' 77 15459 '1H chemical shifts' 526 15459 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 . . 2008-06-25 2007-09-05 original author . 15459 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15459 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18269247 _Citation.Full_citation . _Citation.Title 'The periplasmic domain of TolR from Haemophilus influenzae forms a dimer with a large hydrophobic groove: NMR solution structure and comparison to SAXS data' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 10 _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 3131 _Citation.Page_last 3142 _Citation.Year 2008 _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 Lisa Parsons . M. . 15459 1 2 Alexander Grishaev . . . 15459 1 3 Ad Bax . . . 15459 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID membrane 15459 1 pal/tol 15459 1 tol/pal 15459 1 TolR 15459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15459 _Assembly.ID 1 _Assembly.Name 'TolR dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $TolR A . yes native no no . . . 15459 1 2 'subunit 2' 1 $TolR A . yes native no no . . . 15459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TolR _Entity.Sf_category entity _Entity.Sf_framecode TolR _Entity.Entry_ID 15459 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TolR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSVPVILEVAGIGKYAISIG GERQEGLTEEMVTQLSRQEF DKDNNTLFLVGGAKEVPYEE VIKALNLLHLAGIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 19,G _Entity.Polymer_author_seq_details 'residues 19 & 20 are from the cloning tag. Residues 21-92 correspond to residues 59-130 in the full native protein.' _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'periplasmic domain of TolR' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JWK . "Solution Structure Of The Periplasmic Domain Of Tolr From Haemophilus Influenzae" . . . . . 100.00 74 100.00 100.00 1.62e-43 . . . . 15459 1 2 no PDB 2JWL . "Solution Structure Of Periplasmic Domain Of Tolr From H. Influenzae With Saxs Data" . . . . . 100.00 74 100.00 100.00 1.62e-43 . . . . 15459 1 3 no EMBL CBW28683 . "membrane spanning protein in TolA-TolQ-TolR complex [Haemophilus influenzae 10810]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 4 no EMBL CBY81984 . "membrane spanning protein in TolA-TolQ-TolR complex [Haemophilus influenzae F3031]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 5 no EMBL CBY86494 . "membrane spanning protein in TolA-TolQ-TolR complex [Haemophilus influenzae F3047]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 6 no EMBL CKG87573 . "membrane spanning protein in TolA-TolQ-TolR complex [Haemophilus influenzae]" . . . . . 97.30 139 98.61 100.00 2.00e-41 . . . . 15459 1 7 no GB AAC22042 . "colicin transport protein (tolR) [Haemophilus influenzae Rd KW20]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 8 no GB AAC44595 . "TolR [Haemophilus influenzae]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 9 no GB AAX87439 . "TolR [Haemophilus influenzae 86-028NP]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 10 no GB ABQ97704 . "membrane spanning protein in TolA-TolQ-TolR complex [Haemophilus influenzae PittEE]" . . . . . 97.30 139 98.61 100.00 2.00e-41 . . . . 15459 1 11 no GB ABQ99958 . "hypothetical protein CGSHiGG_05080 [Haemophilus influenzae PittGG]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 12 no REF NP_438545 . "colicin uptake protein TolR [Haemophilus influenzae Rd KW20]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 13 no REF WP_005634116 . "MULTISPECIES: colicin transporter [Haemophilus]" . . . . . 97.30 139 97.22 100.00 2.83e-41 . . . . 15459 1 14 no REF WP_005649190 . "MULTISPECIES: protein TolR [Haemophilus]" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 15 no REF WP_005652225 . "protein TolR [Haemophilus influenzae]" . . . . . 97.30 139 98.61 98.61 2.11e-41 . . . . 15459 1 16 no REF WP_011961713 . "protein TolR [Haemophilus influenzae]" . . . . . 97.30 139 98.61 100.00 2.00e-41 . . . . 15459 1 17 no SP P43769 . "RecName: Full=Protein TolR" . . . . . 97.30 139 100.00 100.00 3.27e-42 . . . . 15459 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'membrane protein' 15459 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 19 GLY . 15459 1 2 20 SER . 15459 1 3 21 VAL . 15459 1 4 22 PRO . 15459 1 5 23 VAL . 15459 1 6 24 ILE . 15459 1 7 25 LEU . 15459 1 8 26 GLU . 15459 1 9 27 VAL . 15459 1 10 28 ALA . 15459 1 11 29 GLY . 15459 1 12 30 ILE . 15459 1 13 31 GLY . 15459 1 14 32 LYS . 15459 1 15 33 TYR . 15459 1 16 34 ALA . 15459 1 17 35 ILE . 15459 1 18 36 SER . 15459 1 19 37 ILE . 15459 1 20 38 GLY . 15459 1 21 39 GLY . 15459 1 22 40 GLU . 15459 1 23 41 ARG . 15459 1 24 42 GLN . 15459 1 25 43 GLU . 15459 1 26 44 GLY . 15459 1 27 45 LEU . 15459 1 28 46 THR . 15459 1 29 47 GLU . 15459 1 30 48 GLU . 15459 1 31 49 MET . 15459 1 32 50 VAL . 15459 1 33 51 THR . 15459 1 34 52 GLN . 15459 1 35 53 LEU . 15459 1 36 54 SER . 15459 1 37 55 ARG . 15459 1 38 56 GLN . 15459 1 39 57 GLU . 15459 1 40 58 PHE . 15459 1 41 59 ASP . 15459 1 42 60 LYS . 15459 1 43 61 ASP . 15459 1 44 62 ASN . 15459 1 45 63 ASN . 15459 1 46 64 THR . 15459 1 47 65 LEU . 15459 1 48 66 PHE . 15459 1 49 67 LEU . 15459 1 50 68 VAL . 15459 1 51 69 GLY . 15459 1 52 70 GLY . 15459 1 53 71 ALA . 15459 1 54 72 LYS . 15459 1 55 73 GLU . 15459 1 56 74 VAL . 15459 1 57 75 PRO . 15459 1 58 76 TYR . 15459 1 59 77 GLU . 15459 1 60 78 GLU . 15459 1 61 79 VAL . 15459 1 62 80 ILE . 15459 1 63 81 LYS . 15459 1 64 82 ALA . 15459 1 65 83 LEU . 15459 1 66 84 ASN . 15459 1 67 85 LEU . 15459 1 68 86 LEU . 15459 1 69 87 HIS . 15459 1 70 88 LEU . 15459 1 71 89 ALA . 15459 1 72 90 GLY . 15459 1 73 91 ILE . 15459 1 74 92 LYS . 15459 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15459 1 . SER 2 2 15459 1 . VAL 3 3 15459 1 . PRO 4 4 15459 1 . VAL 5 5 15459 1 . ILE 6 6 15459 1 . LEU 7 7 15459 1 . GLU 8 8 15459 1 . VAL 9 9 15459 1 . ALA 10 10 15459 1 . GLY 11 11 15459 1 . ILE 12 12 15459 1 . GLY 13 13 15459 1 . LYS 14 14 15459 1 . TYR 15 15 15459 1 . ALA 16 16 15459 1 . ILE 17 17 15459 1 . SER 18 18 15459 1 . ILE 19 19 15459 1 . GLY 20 20 15459 1 . GLY 21 21 15459 1 . GLU 22 22 15459 1 . ARG 23 23 15459 1 . GLN 24 24 15459 1 . GLU 25 25 15459 1 . GLY 26 26 15459 1 . LEU 27 27 15459 1 . THR 28 28 15459 1 . GLU 29 29 15459 1 . GLU 30 30 15459 1 . MET 31 31 15459 1 . VAL 32 32 15459 1 . THR 33 33 15459 1 . GLN 34 34 15459 1 . LEU 35 35 15459 1 . SER 36 36 15459 1 . ARG 37 37 15459 1 . GLN 38 38 15459 1 . GLU 39 39 15459 1 . PHE 40 40 15459 1 . ASP 41 41 15459 1 . LYS 42 42 15459 1 . ASP 43 43 15459 1 . ASN 44 44 15459 1 . ASN 45 45 15459 1 . THR 46 46 15459 1 . LEU 47 47 15459 1 . PHE 48 48 15459 1 . LEU 49 49 15459 1 . VAL 50 50 15459 1 . GLY 51 51 15459 1 . GLY 52 52 15459 1 . ALA 53 53 15459 1 . LYS 54 54 15459 1 . GLU 55 55 15459 1 . VAL 56 56 15459 1 . PRO 57 57 15459 1 . TYR 58 58 15459 1 . GLU 59 59 15459 1 . GLU 60 60 15459 1 . VAL 61 61 15459 1 . ILE 62 62 15459 1 . LYS 63 63 15459 1 . ALA 64 64 15459 1 . LEU 65 65 15459 1 . ASN 66 66 15459 1 . LEU 67 67 15459 1 . LEU 68 68 15459 1 . HIS 69 69 15459 1 . LEU 70 70 15459 1 . ALA 71 71 15459 1 . GLY 72 72 15459 1 . ILE 73 73 15459 1 . LYS 74 74 15459 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 15459 _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 $TolR . 727 organism . 'Haemophilus influenzae' 'Haemophilus influenzae' . . Bacteria . Haemophilus influenzae . . . . . . . . . . . . . . . . HI0384 . . . . 15459 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 15459 _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 $TolR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-star-(DE3) . . . . . . . . . . . . . . . pet28 . . . 'the vector was modified to include a native E.coli GST-tag.' . . 15459 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15459 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TolR '[U-99% 13C; U-99% 15N]' . . 1 $TolR . . . 0.5 1.0 mM . . . . 15459 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15459 1 3 'sodium chloride' 'natural abundance' . . . . . . . 50 100 mM . . . . 15459 1 4 EDTA 'natural abundance' . . . . . . 0.05 . . mM . . . . 15459 1 5 D2O 'natural abundance' . . . . . . . 5 10 % . . . . 15459 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15459 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 . pH 15459 1 pressure 1 . atm 15459 1 temperature 303 . K 15459 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15459 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15459 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15459 1 'peak picking' 15459 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15459 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 15459 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15459 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 15459 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15459 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 15459 _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 water carbons . . . . ppm 0 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15459 1 H 1 water protons . . . . ppm 4.725 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15459 1 N 15 water nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15459 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15459 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15459 1 2 '2D 1H-13C HSQC' . . . 15459 1 3 '3D CBCA(CO)NH' . . . 15459 1 4 '3D C(CO)NH' . . . 15459 1 6 '3D HNCACB' . . . 15459 1 7 '3D 1H-15N NOESY' . . . 15459 1 8 '3D H(CCO)NH' . . . 15459 1 9 '3D 1H-13C NOESY' . . . 15459 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 GLY HA2 H 1 3.864 0.001 . 1 . . . . 19 GLY HA2 . 15459 1 2 . 1 1 1 1 GLY HA3 H 1 3.864 0.001 . 1 . . . . 19 GLY HA3 . 15459 1 3 . 1 1 1 1 GLY CA C 13 43.67 0.004 . 1 . . . . 19 GLY CA . 15459 1 4 . 1 1 2 2 SER HA H 1 4.47 0.009 . 1 . . . . 20 SER HA . 15459 1 5 . 1 1 2 2 SER HB2 H 1 3.836 0.004 . 1 . . . . 20 SER HB2 . 15459 1 6 . 1 1 2 2 SER HB3 H 1 3.836 0.004 . 1 . . . . 20 SER HB3 . 15459 1 7 . 1 1 2 2 SER C C 13 174.062 0.2 . 1 . . . . 20 SER C . 15459 1 8 . 1 1 2 2 SER CA C 13 58.657 0.135 . 1 . . . . 20 SER CA . 15459 1 9 . 1 1 2 2 SER CB C 13 63.939 0.039 . 1 . . . . 20 SER CB . 15459 1 10 . 1 1 3 3 VAL H H 1 8.077 0.004 . 1 . . . . 21 VAL HN . 15459 1 11 . 1 1 3 3 VAL HA H 1 4.449 0.009 . 1 . . . . 21 VAL HA . 15459 1 12 . 1 1 3 3 VAL HB H 1 2.04 0.009 . 1 . . . . 21 VAL HB . 15459 1 13 . 1 1 3 3 VAL HG11 H 1 0.889 0.013 . 2 . . . . 21 VAL HG1 . 15459 1 14 . 1 1 3 3 VAL HG12 H 1 0.889 0.013 . 2 . . . . 21 VAL HG1 . 15459 1 15 . 1 1 3 3 VAL HG13 H 1 0.889 0.013 . 2 . . . . 21 VAL HG1 . 15459 1 16 . 1 1 3 3 VAL HG21 H 1 0.94 0.012 . 2 . . . . 21 VAL HG2 . 15459 1 17 . 1 1 3 3 VAL HG22 H 1 0.94 0.012 . 2 . . . . 21 VAL HG2 . 15459 1 18 . 1 1 3 3 VAL HG23 H 1 0.94 0.012 . 2 . . . . 21 VAL HG2 . 15459 1 19 . 1 1 3 3 VAL CA C 13 59.872 0.031 . 1 . . . . 21 VAL CA . 15459 1 20 . 1 1 3 3 VAL CB C 13 32.721 0.088 . 1 . . . . 21 VAL CB . 15459 1 21 . 1 1 3 3 VAL CG1 C 13 20.55 0.035 . 2 . . . . 21 VAL CG1 . 15459 1 22 . 1 1 3 3 VAL CG2 C 13 21.398 0.04 . 2 . . . . 21 VAL CG2 . 15459 1 23 . 1 1 3 3 VAL N N 15 123.211 0.019 . 1 . . . . 21 VAL N . 15459 1 24 . 1 1 4 4 PRO HA H 1 4.699 0.016 . 1 . . . . 22 PRO HA . 15459 1 25 . 1 1 4 4 PRO HB2 H 1 1.963 0.008 . 1 . . . . 22 PRO HB2 . 15459 1 26 . 1 1 4 4 PRO HB3 H 1 1.521 0.007 . 1 . . . . 22 PRO HB3 . 15459 1 27 . 1 1 4 4 PRO HD2 H 1 3.644 0.008 . 2 . . . . 22 PRO HD2 . 15459 1 28 . 1 1 4 4 PRO HD3 H 1 3.792 0.004 . 2 . . . . 22 PRO HD3 . 15459 1 29 . 1 1 4 4 PRO HG2 H 1 1.87 0.008 . 2 . . . . 22 PRO HG2 . 15459 1 30 . 1 1 4 4 PRO HG3 H 1 1.811 0.009 . 2 . . . . 22 PRO HG3 . 15459 1 31 . 1 1 4 4 PRO C C 13 175.821 0.2 . 1 . . . . 22 PRO C . 15459 1 32 . 1 1 4 4 PRO CA C 13 62.836 0.021 . 1 . . . . 22 PRO CA . 15459 1 33 . 1 1 4 4 PRO CB C 13 32.875 0.066 . 1 . . . . 22 PRO CB . 15459 1 34 . 1 1 4 4 PRO CD C 13 51.078 0.037 . 1 . . . . 22 PRO CD . 15459 1 35 . 1 1 4 4 PRO CG C 13 27.153 0.076 . 1 . . . . 22 PRO CG . 15459 1 36 . 1 1 5 5 VAL H H 1 8.282 0.006 . 1 . . . . 23 VAL HN . 15459 1 37 . 1 1 5 5 VAL HA H 1 4.399 0.008 . 1 . . . . 23 VAL HA . 15459 1 38 . 1 1 5 5 VAL HB H 1 1.156 0.004 . 1 . . . . 23 VAL HB . 15459 1 39 . 1 1 5 5 VAL HG11 H 1 0.684 0.01 . 1 . . . . 23 VAL HG1 . 15459 1 40 . 1 1 5 5 VAL HG12 H 1 0.684 0.01 . 1 . . . . 23 VAL HG1 . 15459 1 41 . 1 1 5 5 VAL HG13 H 1 0.684 0.01 . 1 . . . . 23 VAL HG1 . 15459 1 42 . 1 1 5 5 VAL HG21 H 1 0.834 0.008 . 1 . . . . 23 VAL HG2 . 15459 1 43 . 1 1 5 5 VAL HG22 H 1 0.834 0.008 . 1 . . . . 23 VAL HG2 . 15459 1 44 . 1 1 5 5 VAL HG23 H 1 0.834 0.008 . 1 . . . . 23 VAL HG2 . 15459 1 45 . 1 1 5 5 VAL C C 13 174.941 0.2 . 1 . . . . 23 VAL C . 15459 1 46 . 1 1 5 5 VAL CA C 13 61.773 0.092 . 1 . . . . 23 VAL CA . 15459 1 47 . 1 1 5 5 VAL CB C 13 32.428 0.058 . 1 . . . . 23 VAL CB . 15459 1 48 . 1 1 5 5 VAL CG1 C 13 22.717 0.125 . 1 . . . . 23 VAL CG1 . 15459 1 49 . 1 1 5 5 VAL CG2 C 13 21.402 0.082 . 1 . . . . 23 VAL CG2 . 15459 1 50 . 1 1 5 5 VAL N N 15 122.266 0.028 . 1 . . . . 23 VAL N . 15459 1 51 . 1 1 6 6 ILE H H 1 8.226 0.005 . 1 . . . . 24 ILE HN . 15459 1 52 . 1 1 6 6 ILE HA H 1 4.634 0.02 . 1 . . . . 24 ILE HA . 15459 1 53 . 1 1 6 6 ILE HB H 1 1.755 0.005 . 1 . . . . 24 ILE HB . 15459 1 54 . 1 1 6 6 ILE HD11 H 1 0.735 0.017 . 1 . . . . 24 ILE HD1 . 15459 1 55 . 1 1 6 6 ILE HD12 H 1 0.735 0.017 . 1 . . . . 24 ILE HD1 . 15459 1 56 . 1 1 6 6 ILE HD13 H 1 0.735 0.017 . 1 . . . . 24 ILE HD1 . 15459 1 57 . 1 1 6 6 ILE HG12 H 1 1.772 0.003 . 2 . . . . 24 ILE HG12 . 15459 1 58 . 1 1 6 6 ILE HG13 H 1 1.477 0.013 . 2 . . . . 24 ILE HG13 . 15459 1 59 . 1 1 6 6 ILE HG21 H 1 0.787 0.006 . 1 . . . . 24 ILE HG2 . 15459 1 60 . 1 1 6 6 ILE HG22 H 1 0.787 0.006 . 1 . . . . 24 ILE HG2 . 15459 1 61 . 1 1 6 6 ILE HG23 H 1 0.787 0.006 . 1 . . . . 24 ILE HG2 . 15459 1 62 . 1 1 6 6 ILE C C 13 174.324 0.2 . 1 . . . . 24 ILE C . 15459 1 63 . 1 1 6 6 ILE CA C 13 60.694 0.128 . 1 . . . . 24 ILE CA . 15459 1 64 . 1 1 6 6 ILE CB C 13 40.422 0.062 . 1 . . . . 24 ILE CB . 15459 1 65 . 1 1 6 6 ILE CD1 C 13 13.497 0.036 . 1 . . . . 24 ILE CD1 . 15459 1 66 . 1 1 6 6 ILE CG1 C 13 28.264 0.2 . 1 . . . . 24 ILE CG1 . 15459 1 67 . 1 1 6 6 ILE CG2 C 13 18.768 0.039 . 1 . . . . 24 ILE CG2 . 15459 1 68 . 1 1 6 6 ILE N N 15 125.613 0.036 . 1 . . . . 24 ILE N . 15459 1 69 . 1 1 7 7 LEU H H 1 9.738 0.008 . 1 . . . . 25 LEU HN . 15459 1 70 . 1 1 7 7 LEU HA H 1 5.13 0.01 . 1 . . . . 25 LEU HA . 15459 1 71 . 1 1 7 7 LEU HB2 H 1 2.136 0.006 . 1 . . . . 25 LEU HB2 . 15459 1 72 . 1 1 7 7 LEU HB3 H 1 1.409 0.01 . 1 . . . . 25 LEU HB3 . 15459 1 73 . 1 1 7 7 LEU HD11 H 1 0.816 0.009 . 1 . . . . 25 LEU HD1 . 15459 1 74 . 1 1 7 7 LEU HD12 H 1 0.816 0.009 . 1 . . . . 25 LEU HD1 . 15459 1 75 . 1 1 7 7 LEU HD13 H 1 0.816 0.009 . 1 . . . . 25 LEU HD1 . 15459 1 76 . 1 1 7 7 LEU HD21 H 1 0.974 0.006 . 1 . . . . 25 LEU HD2 . 15459 1 77 . 1 1 7 7 LEU HD22 H 1 0.974 0.006 . 1 . . . . 25 LEU HD2 . 15459 1 78 . 1 1 7 7 LEU HD23 H 1 0.974 0.006 . 1 . . . . 25 LEU HD2 . 15459 1 79 . 1 1 7 7 LEU HG H 1 1.632 0.01 . 1 . . . . 25 LEU HG . 15459 1 80 . 1 1 7 7 LEU C C 13 173.401 0.2 . 1 . . . . 25 LEU C . 15459 1 81 . 1 1 7 7 LEU CA C 13 54.505 0.049 . 1 . . . . 25 LEU CA . 15459 1 82 . 1 1 7 7 LEU CB C 13 44.048 0.064 . 1 . . . . 25 LEU CB . 15459 1 83 . 1 1 7 7 LEU CD1 C 13 26.38 0.044 . 1 . . . . 25 LEU CD1 . 15459 1 84 . 1 1 7 7 LEU CD2 C 13 25.057 0.037 . 1 . . . . 25 LEU CD2 . 15459 1 85 . 1 1 7 7 LEU CG C 13 28.859 0.073 . 1 . . . . 25 LEU CG . 15459 1 86 . 1 1 7 7 LEU N N 15 132.856 0.05 . 1 . . . . 25 LEU N . 15459 1 87 . 1 1 8 8 GLU H H 1 9.152 0.008 . 1 . . . . 26 GLU HN . 15459 1 88 . 1 1 8 8 GLU HA H 1 5.088 0.009 . 1 . . . . 26 GLU HA . 15459 1 89 . 1 1 8 8 GLU HB2 H 1 1.958 0.006 . 2 . . . . 26 GLU HB2 . 15459 1 90 . 1 1 8 8 GLU HB3 H 1 1.765 0.01 . 2 . . . . 26 GLU HB3 . 15459 1 91 . 1 1 8 8 GLU HG2 H 1 1.992 0.016 . 2 . . . . 26 GLU HG2 . 15459 1 92 . 1 1 8 8 GLU HG3 H 1 1.881 0.006 . 2 . . . . 26 GLU HG3 . 15459 1 93 . 1 1 8 8 GLU C C 13 176.146 0.2 . 1 . . . . 26 GLU C . 15459 1 94 . 1 1 8 8 GLU CA C 13 53.656 0.075 . 1 . . . . 26 GLU CA . 15459 1 95 . 1 1 8 8 GLU CB C 13 33.579 0.051 . 1 . . . . 26 GLU CB . 15459 1 96 . 1 1 8 8 GLU CG C 13 36.917 0.04 . 1 . . . . 26 GLU CG . 15459 1 97 . 1 1 8 8 GLU N N 15 124.002 0.023 . 1 . . . . 26 GLU N . 15459 1 98 . 1 1 9 9 VAL H H 1 9.017 0.006 . 1 . . . . 27 VAL HN . 15459 1 99 . 1 1 9 9 VAL HA H 1 4.234 0.009 . 1 . . . . 27 VAL HA . 15459 1 100 . 1 1 9 9 VAL HB H 1 2.102 0.006 . 1 . . . . 27 VAL HB . 15459 1 101 . 1 1 9 9 VAL HG11 H 1 0.976 0.014 . 1 . . . . 27 VAL HG1 . 15459 1 102 . 1 1 9 9 VAL HG12 H 1 0.976 0.014 . 1 . . . . 27 VAL HG1 . 15459 1 103 . 1 1 9 9 VAL HG13 H 1 0.976 0.014 . 1 . . . . 27 VAL HG1 . 15459 1 104 . 1 1 9 9 VAL HG21 H 1 1.092 0.011 . 1 . . . . 27 VAL HG2 . 15459 1 105 . 1 1 9 9 VAL HG22 H 1 1.092 0.011 . 1 . . . . 27 VAL HG2 . 15459 1 106 . 1 1 9 9 VAL HG23 H 1 1.092 0.011 . 1 . . . . 27 VAL HG2 . 15459 1 107 . 1 1 9 9 VAL C C 13 174.602 0.2 . 1 . . . . 27 VAL C . 15459 1 108 . 1 1 9 9 VAL CA C 13 62.744 0.071 . 1 . . . . 27 VAL CA . 15459 1 109 . 1 1 9 9 VAL CB C 13 31.05 0.112 . 1 . . . . 27 VAL CB . 15459 1 110 . 1 1 9 9 VAL CG1 C 13 23.369 0.06 . 1 . . . . 27 VAL CG1 . 15459 1 111 . 1 1 9 9 VAL CG2 C 13 21.856 0.02 . 1 . . . . 27 VAL CG2 . 15459 1 112 . 1 1 9 9 VAL N N 15 124.817 0.053 . 1 . . . . 27 VAL N . 15459 1 113 . 1 1 10 10 ALA H H 1 8.495 0.002 . 1 . . . . 28 ALA HN . 15459 1 114 . 1 1 10 10 ALA HA H 1 4.432 0.008 . 1 . . . . 28 ALA HA . 15459 1 115 . 1 1 10 10 ALA HB1 H 1 1.169 0.005 . 1 . . . . 28 ALA HB . 15459 1 116 . 1 1 10 10 ALA HB2 H 1 1.169 0.005 . 1 . . . . 28 ALA HB . 15459 1 117 . 1 1 10 10 ALA HB3 H 1 1.169 0.005 . 1 . . . . 28 ALA HB . 15459 1 118 . 1 1 10 10 ALA C C 13 176.7 0.2 . 1 . . . . 28 ALA C . 15459 1 119 . 1 1 10 10 ALA CA C 13 52.287 0.095 . 1 . . . . 28 ALA CA . 15459 1 120 . 1 1 10 10 ALA CB C 13 20.467 0.105 . 1 . . . . 28 ALA CB . 15459 1 121 . 1 1 10 10 ALA N N 15 131.356 0.039 . 1 . . . . 28 ALA N . 15459 1 122 . 1 1 11 11 GLY H H 1 7.944 0.005 . 1 . . . . 29 GLY HN . 15459 1 123 . 1 1 11 11 GLY HA2 H 1 3.835 0.006 . 1 . . . . 29 GLY HA2 . 15459 1 124 . 1 1 11 11 GLY HA3 H 1 3.835 0.006 . 1 . . . . 29 GLY HA3 . 15459 1 125 . 1 1 11 11 GLY C C 13 171.447 0.2 . 1 . . . . 29 GLY C . 15459 1 126 . 1 1 11 11 GLY CA C 13 44.108 0.062 . 1 . . . . 29 GLY CA . 15459 1 127 . 1 1 11 11 GLY N N 15 106.513 0.055 . 1 . . . . 29 GLY N . 15459 1 128 . 1 1 12 12 ILE H H 1 8.625 0.005 . 1 . . . . 30 ILE HN . 15459 1 129 . 1 1 12 12 ILE HA H 1 3.724 0.01 . 1 . . . . 30 ILE HA . 15459 1 130 . 1 1 12 12 ILE HB H 1 1.814 0.006 . 1 . . . . 30 ILE HB . 15459 1 131 . 1 1 12 12 ILE HD11 H 1 0.845 0.004 . 1 . . . . 30 ILE HD1 . 15459 1 132 . 1 1 12 12 ILE HD12 H 1 0.845 0.004 . 1 . . . . 30 ILE HD1 . 15459 1 133 . 1 1 12 12 ILE HD13 H 1 0.845 0.004 . 1 . . . . 30 ILE HD1 . 15459 1 134 . 1 1 12 12 ILE HG12 H 1 1.547 0.005 . 2 . . . . 30 ILE HG12 . 15459 1 135 . 1 1 12 12 ILE HG13 H 1 1.201 0.009 . 2 . . . . 30 ILE HG13 . 15459 1 136 . 1 1 12 12 ILE HG21 H 1 0.84 0.004 . 1 . . . . 30 ILE HG2 . 15459 1 137 . 1 1 12 12 ILE HG22 H 1 0.84 0.004 . 1 . . . . 30 ILE HG2 . 15459 1 138 . 1 1 12 12 ILE HG23 H 1 0.84 0.004 . 1 . . . . 30 ILE HG2 . 15459 1 139 . 1 1 12 12 ILE C C 13 177.642 0.2 . 1 . . . . 30 ILE C . 15459 1 140 . 1 1 12 12 ILE CA C 13 62.814 0.068 . 1 . . . . 30 ILE CA . 15459 1 141 . 1 1 12 12 ILE CB C 13 36.127 0.098 . 1 . . . . 30 ILE CB . 15459 1 142 . 1 1 12 12 ILE CD1 C 13 12.085 0.033 . 1 . . . . 30 ILE CD1 . 15459 1 143 . 1 1 12 12 ILE CG1 C 13 27.831 0.054 . 1 . . . . 30 ILE CG1 . 15459 1 144 . 1 1 12 12 ILE CG2 C 13 17.125 0.054 . 1 . . . . 30 ILE CG2 . 15459 1 145 . 1 1 12 12 ILE N N 15 120.762 0.016 . 1 . . . . 30 ILE N . 15459 1 146 . 1 1 13 13 GLY H H 1 8.82 0.004 . 1 . . . . 31 GLY HN . 15459 1 147 . 1 1 13 13 GLY HA2 H 1 3.989 0.007 . 2 . . . . 31 GLY HA2 . 15459 1 148 . 1 1 13 13 GLY HA3 H 1 3.787 0.007 . 2 . . . . 31 GLY HA3 . 15459 1 149 . 1 1 13 13 GLY C C 13 172.917 0.2 . 1 . . . . 31 GLY C . 15459 1 150 . 1 1 13 13 GLY CA C 13 46.512 0.046 . 1 . . . . 31 GLY CA . 15459 1 151 . 1 1 13 13 GLY N N 15 117.435 0.055 . 1 . . . . 31 GLY N . 15459 1 152 . 1 1 14 14 LYS H H 1 7.03 0.008 . 1 . . . . 32 LYS HN . 15459 1 153 . 1 1 14 14 LYS HA H 1 4.724 0.009 . 1 . . . . 32 LYS HA . 15459 1 154 . 1 1 14 14 LYS HB2 H 1 1.354 0.018 . 2 . . . . 32 LYS HB2 . 15459 1 155 . 1 1 14 14 LYS HB3 H 1 1.198 0.007 . 2 . . . . 32 LYS HB3 . 15459 1 156 . 1 1 14 14 LYS HD2 H 1 1.555 0.016 . 2 . . . . 32 LYS HD2 . 15459 1 157 . 1 1 14 14 LYS HD3 H 1 1.451 0.011 . 2 . . . . 32 LYS HD3 . 15459 1 158 . 1 1 14 14 LYS HE2 H 1 2.882 0.007 . 1 . . . . 32 LYS HE2 . 15459 1 159 . 1 1 14 14 LYS HE3 H 1 2.882 0.007 . 1 . . . . 32 LYS HE3 . 15459 1 160 . 1 1 14 14 LYS HG2 H 1 1.261 0.006 . 2 . . . . 32 LYS HG2 . 15459 1 161 . 1 1 14 14 LYS HG3 H 1 1.17 0.012 . 2 . . . . 32 LYS HG3 . 15459 1 162 . 1 1 14 14 LYS C C 13 174.07 0.2 . 1 . . . . 32 LYS C . 15459 1 163 . 1 1 14 14 LYS CA C 13 54.653 0.091 . 1 . . . . 32 LYS CA . 15459 1 164 . 1 1 14 14 LYS CB C 13 35.568 0.074 . 1 . . . . 32 LYS CB . 15459 1 165 . 1 1 14 14 LYS CD C 13 29.174 0.015 . 1 . . . . 32 LYS CD . 15459 1 166 . 1 1 14 14 LYS CE C 13 41.977 0.062 . 1 . . . . 32 LYS CE . 15459 1 167 . 1 1 14 14 LYS CG C 13 24.372 0.038 . 1 . . . . 32 LYS CG . 15459 1 168 . 1 1 14 14 LYS N N 15 118.904 0.063 . 1 . . . . 32 LYS N . 15459 1 169 . 1 1 15 15 TYR H H 1 8.5 0.006 . 1 . . . . 33 TYR HN . 15459 1 170 . 1 1 15 15 TYR HA H 1 5.34 0.007 . 1 . . . . 33 TYR HA . 15459 1 171 . 1 1 15 15 TYR HB2 H 1 2.915 0.011 . 1 . . . . 33 TYR HB2 . 15459 1 172 . 1 1 15 15 TYR HB3 H 1 2.389 0.008 . 1 . . . . 33 TYR HB3 . 15459 1 173 . 1 1 15 15 TYR HD1 H 1 6.927 0.006 . 3 . . . . 33 TYR HD1 . 15459 1 174 . 1 1 15 15 TYR HD2 H 1 6.927 0.006 . 3 . . . . 33 TYR HD2 . 15459 1 175 . 1 1 15 15 TYR HE1 H 1 6.65 0.005 . 3 . . . . 33 TYR HE1 . 15459 1 176 . 1 1 15 15 TYR HE2 H 1 6.65 0.005 . 3 . . . . 33 TYR HE2 . 15459 1 177 . 1 1 15 15 TYR C C 13 174.308 0.2 . 1 . . . . 33 TYR C . 15459 1 178 . 1 1 15 15 TYR CA C 13 57.117 0.098 . 1 . . . . 33 TYR CA . 15459 1 179 . 1 1 15 15 TYR CB C 13 43.05 0.047 . 1 . . . . 33 TYR CB . 15459 1 180 . 1 1 15 15 TYR CD1 C 13 133.577 0.2 . 3 . . . . 33 TYR CD# . 15459 1 181 . 1 1 15 15 TYR CD2 C 13 133.577 0.2 . 3 . . . . 33 TYR CD# . 15459 1 182 . 1 1 15 15 TYR CE1 C 13 118.029 0.2 . 3 . . . . 33 TYR CE# . 15459 1 183 . 1 1 15 15 TYR CE2 C 13 118.029 0.2 . 3 . . . . 33 TYR CE# . 15459 1 184 . 1 1 15 15 TYR N N 15 120.729 0.043 . 1 . . . . 33 TYR N . 15459 1 185 . 1 1 16 16 ALA H H 1 9.441 0.004 . 1 . . . . 34 ALA HN . 15459 1 186 . 1 1 16 16 ALA HA H 1 5.4 0.009 . 1 . . . . 34 ALA HA . 15459 1 187 . 1 1 16 16 ALA HB1 H 1 1.309 0.003 . 1 . . . . 34 ALA HB . 15459 1 188 . 1 1 16 16 ALA HB2 H 1 1.309 0.003 . 1 . . . . 34 ALA HB . 15459 1 189 . 1 1 16 16 ALA HB3 H 1 1.309 0.003 . 1 . . . . 34 ALA HB . 15459 1 190 . 1 1 16 16 ALA C C 13 175.368 0.2 . 1 . . . . 34 ALA C . 15459 1 191 . 1 1 16 16 ALA CA C 13 50.596 0.046 . 1 . . . . 34 ALA CA . 15459 1 192 . 1 1 16 16 ALA CB C 13 22.585 0.093 . 1 . . . . 34 ALA CB . 15459 1 193 . 1 1 16 16 ALA N N 15 123.856 0.042 . 1 . . . . 34 ALA N . 15459 1 194 . 1 1 17 17 ILE H H 1 8.792 0.005 . 1 . . . . 35 ILE HN . 15459 1 195 . 1 1 17 17 ILE HA H 1 5.735 0.006 . 1 . . . . 35 ILE HA . 15459 1 196 . 1 1 17 17 ILE HB H 1 1.462 0.006 . 1 . . . . 35 ILE HB . 15459 1 197 . 1 1 17 17 ILE HD11 H 1 0.822 0.01 . 1 . . . . 35 ILE HD1 . 15459 1 198 . 1 1 17 17 ILE HD12 H 1 0.822 0.01 . 1 . . . . 35 ILE HD1 . 15459 1 199 . 1 1 17 17 ILE HD13 H 1 0.822 0.01 . 1 . . . . 35 ILE HD1 . 15459 1 200 . 1 1 17 17 ILE HG12 H 1 1.644 0.008 . 2 . . . . 35 ILE HG12 . 15459 1 201 . 1 1 17 17 ILE HG13 H 1 1.073 0.009 . 2 . . . . 35 ILE HG13 . 15459 1 202 . 1 1 17 17 ILE HG21 H 1 0.867 0.007 . 1 . . . . 35 ILE HG2 . 15459 1 203 . 1 1 17 17 ILE HG22 H 1 0.867 0.007 . 1 . . . . 35 ILE HG2 . 15459 1 204 . 1 1 17 17 ILE HG23 H 1 0.867 0.007 . 1 . . . . 35 ILE HG2 . 15459 1 205 . 1 1 17 17 ILE C C 13 173.601 0.2 . 1 . . . . 35 ILE C . 15459 1 206 . 1 1 17 17 ILE CA C 13 58.535 0.052 . 1 . . . . 35 ILE CA . 15459 1 207 . 1 1 17 17 ILE CB C 13 43.205 0.086 . 1 . . . . 35 ILE CB . 15459 1 208 . 1 1 17 17 ILE CD1 C 13 14.482 0.055 . 1 . . . . 35 ILE CD1 . 15459 1 209 . 1 1 17 17 ILE CG1 C 13 29.828 0.025 . 1 . . . . 35 ILE CG1 . 15459 1 210 . 1 1 17 17 ILE CG2 C 13 17.219 0.026 . 1 . . . . 35 ILE CG2 . 15459 1 211 . 1 1 17 17 ILE N N 15 120.871 0.041 . 1 . . . . 35 ILE N . 15459 1 212 . 1 1 18 18 SER H H 1 9.021 0.007 . 1 . . . . 36 SER HN . 15459 1 213 . 1 1 18 18 SER HA H 1 5.458 0.006 . 1 . . . . 36 SER HA . 15459 1 214 . 1 1 18 18 SER HB2 H 1 3.6 0.009 . 1 . . . . 36 SER HB2 . 15459 1 215 . 1 1 18 18 SER HB3 H 1 3.6 0.009 . 1 . . . . 36 SER HB3 . 15459 1 216 . 1 1 18 18 SER C C 13 173.334 0.2 . 1 . . . . 36 SER C . 15459 1 217 . 1 1 18 18 SER CA C 13 56.583 0.063 . 1 . . . . 36 SER CA . 15459 1 218 . 1 1 18 18 SER CB C 13 64.674 0.072 . 1 . . . . 36 SER CB . 15459 1 219 . 1 1 18 18 SER N N 15 122.26 0.068 . 1 . . . . 36 SER N . 15459 1 220 . 1 1 19 19 ILE H H 1 8.071 0.007 . 1 . . . . 37 ILE HN . 15459 1 221 . 1 1 19 19 ILE HA H 1 4.403 0.005 . 1 . . . . 37 ILE HA . 15459 1 222 . 1 1 19 19 ILE HB H 1 1.701 0.008 . 1 . . . . 37 ILE HB . 15459 1 223 . 1 1 19 19 ILE HD11 H 1 0.86 0.008 . 1 . . . . 37 ILE HD1 . 15459 1 224 . 1 1 19 19 ILE HD12 H 1 0.86 0.008 . 1 . . . . 37 ILE HD1 . 15459 1 225 . 1 1 19 19 ILE HD13 H 1 0.86 0.008 . 1 . . . . 37 ILE HD1 . 15459 1 226 . 1 1 19 19 ILE HG12 H 1 1.578 0.013 . 1 . . . . 37 ILE HG12 . 15459 1 227 . 1 1 19 19 ILE HG13 H 1 1.578 0.013 . 1 . . . . 37 ILE HG13 . 15459 1 228 . 1 1 19 19 ILE HG21 H 1 0.764 0.004 . 1 . . . . 37 ILE HG2 . 15459 1 229 . 1 1 19 19 ILE HG22 H 1 0.764 0.004 . 1 . . . . 37 ILE HG2 . 15459 1 230 . 1 1 19 19 ILE HG23 H 1 0.764 0.004 . 1 . . . . 37 ILE HG2 . 15459 1 231 . 1 1 19 19 ILE C C 13 178.037 0.2 . 1 . . . . 37 ILE C . 15459 1 232 . 1 1 19 19 ILE CA C 13 60.348 0.066 . 1 . . . . 37 ILE CA . 15459 1 233 . 1 1 19 19 ILE CB C 13 40.983 0.054 . 1 . . . . 37 ILE CB . 15459 1 234 . 1 1 19 19 ILE CD1 C 13 14.349 0.038 . 1 . . . . 37 ILE CD1 . 15459 1 235 . 1 1 19 19 ILE CG1 C 13 28.53 0.024 . 1 . . . . 37 ILE CG1 . 15459 1 236 . 1 1 19 19 ILE CG2 C 13 17.428 0.012 . 1 . . . . 37 ILE CG2 . 15459 1 237 . 1 1 19 19 ILE N N 15 125.201 0.023 . 1 . . . . 37 ILE N . 15459 1 238 . 1 1 20 20 GLY H H 1 10.118 0.009 . 1 . . . . 38 GLY HN . 15459 1 239 . 1 1 20 20 GLY HA2 H 1 3.892 0.007 . 2 . . . . 38 GLY HA2 . 15459 1 240 . 1 1 20 20 GLY HA3 H 1 3.667 0.005 . 2 . . . . 38 GLY HA3 . 15459 1 241 . 1 1 20 20 GLY C C 13 175.144 0.2 . 1 . . . . 38 GLY C . 15459 1 242 . 1 1 20 20 GLY CA C 13 47.013 0.069 . 1 . . . . 38 GLY CA . 15459 1 243 . 1 1 20 20 GLY N N 15 120.306 0.056 . 1 . . . . 38 GLY N . 15459 1 244 . 1 1 21 21 GLY H H 1 8.64 0.004 . 1 . . . . 39 GLY HN . 15459 1 245 . 1 1 21 21 GLY HA2 H 1 4.112 0.004 . 2 . . . . 39 GLY HA2 . 15459 1 246 . 1 1 21 21 GLY HA3 H 1 3.557 0.009 . 2 . . . . 39 GLY HA3 . 15459 1 247 . 1 1 21 21 GLY C C 13 173.232 0.2 . 1 . . . . 39 GLY C . 15459 1 248 . 1 1 21 21 GLY CA C 13 45.01 0.045 . 1 . . . . 39 GLY CA . 15459 1 249 . 1 1 21 21 GLY N N 15 106.764 0.041 . 1 . . . . 39 GLY N . 15459 1 250 . 1 1 22 22 GLU H H 1 7.645 0.004 . 1 . . . . 40 GLU HN . 15459 1 251 . 1 1 22 22 GLU HA H 1 4.534 0.013 . 1 . . . . 40 GLU HA . 15459 1 252 . 1 1 22 22 GLU HB2 H 1 2.217 0.005 . 1 . . . . 40 GLU HB2 . 15459 1 253 . 1 1 22 22 GLU HB3 H 1 2.217 0.005 . 1 . . . . 40 GLU HB3 . 15459 1 254 . 1 1 22 22 GLU HG2 H 1 2.1 0.013 . 1 . . . . 40 GLU HG2 . 15459 1 255 . 1 1 22 22 GLU HG3 H 1 2.1 0.013 . 1 . . . . 40 GLU HG3 . 15459 1 256 . 1 1 22 22 GLU C C 13 174.874 0.2 . 1 . . . . 40 GLU C . 15459 1 257 . 1 1 22 22 GLU CA C 13 55.309 0.078 . 1 . . . . 40 GLU CA . 15459 1 258 . 1 1 22 22 GLU CB C 13 30.697 0.06 . 1 . . . . 40 GLU CB . 15459 1 259 . 1 1 22 22 GLU CG C 13 35.979 0.066 . 1 . . . . 40 GLU CG . 15459 1 260 . 1 1 22 22 GLU N N 15 121.158 0.057 . 1 . . . . 40 GLU N . 15459 1 261 . 1 1 23 23 ARG H H 1 8.732 0.003 . 1 . . . . 41 ARG HN . 15459 1 262 . 1 1 23 23 ARG HA H 1 5.12 0.006 . 1 . . . . 41 ARG HA . 15459 1 263 . 1 1 23 23 ARG HB2 H 1 1.699 0.011 . 2 . . . . 41 ARG HB2 . 15459 1 264 . 1 1 23 23 ARG HB3 H 1 1.519 0.02 . 2 . . . . 41 ARG HB3 . 15459 1 265 . 1 1 23 23 ARG HD2 H 1 3.049 0.006 . 1 . . . . 41 ARG HD2 . 15459 1 266 . 1 1 23 23 ARG HD3 H 1 3.049 0.006 . 1 . . . . 41 ARG HD3 . 15459 1 267 . 1 1 23 23 ARG HE H 1 8.01 0.002 . 1 . . . . 41 ARG HE . 15459 1 268 . 1 1 23 23 ARG HG2 H 1 1.423 0.009 . 2 . . . . 41 ARG HG2 . 15459 1 269 . 1 1 23 23 ARG HG3 H 1 1.221 0.018 . 2 . . . . 41 ARG HG3 . 15459 1 270 . 1 1 23 23 ARG C C 13 175.76 0.2 . 1 . . . . 41 ARG C . 15459 1 271 . 1 1 23 23 ARG CA C 13 55.856 0.084 . 1 . . . . 41 ARG CA . 15459 1 272 . 1 1 23 23 ARG CB C 13 32.954 0.131 . 1 . . . . 41 ARG CB . 15459 1 273 . 1 1 23 23 ARG CD C 13 43.57 0.051 . 1 . . . . 41 ARG CD . 15459 1 274 . 1 1 23 23 ARG CG C 13 28.311 0.069 . 1 . . . . 41 ARG CG . 15459 1 275 . 1 1 23 23 ARG N N 15 128.674 0.034 . 1 . . . . 41 ARG N . 15459 1 276 . 1 1 23 23 ARG NE N 15 84.895 0.048 . 1 . . . . 41 ARG NE . 15459 1 277 . 1 1 24 24 GLN H H 1 9.237 0.006 . 1 . . . . 42 GLN HN . 15459 1 278 . 1 1 24 24 GLN HA H 1 4.724 0.007 . 1 . . . . 42 GLN HA . 15459 1 279 . 1 1 24 24 GLN HB2 H 1 2.132 0.008 . 2 . . . . 42 GLN HB2 . 15459 1 280 . 1 1 24 24 GLN HB3 H 1 1.957 0.007 . 2 . . . . 42 GLN HB3 . 15459 1 281 . 1 1 24 24 GLN HE21 H 1 7.712 0.013 . 2 . . . . 42 GLN HE21 . 15459 1 282 . 1 1 24 24 GLN HE22 H 1 6.559 0.004 . 2 . . . . 42 GLN HE22 . 15459 1 283 . 1 1 24 24 GLN HG2 H 1 2.371 0.009 . 2 . . . . 42 GLN HG2 . 15459 1 284 . 1 1 24 24 GLN HG3 H 1 2.325 0.011 . 2 . . . . 42 GLN HG3 . 15459 1 285 . 1 1 24 24 GLN C C 13 174.256 0.2 . 1 . . . . 42 GLN C . 15459 1 286 . 1 1 24 24 GLN CA C 13 55.152 0.106 . 1 . . . . 42 GLN CA . 15459 1 287 . 1 1 24 24 GLN CB C 13 32.217 0.07 . 1 . . . . 42 GLN CB . 15459 1 288 . 1 1 24 24 GLN CG C 13 34.107 0.057 . 1 . . . . 42 GLN CG . 15459 1 289 . 1 1 24 24 GLN N N 15 126.544 0.042 . 1 . . . . 42 GLN N . 15459 1 290 . 1 1 24 24 GLN NE2 N 15 110.568 0.118 . 1 . . . . 42 GLN NE2 . 15459 1 291 . 1 1 25 25 GLU H H 1 8.675 0.009 . 1 . . . . 43 GLU HN . 15459 1 292 . 1 1 25 25 GLU HA H 1 4.826 0.009 . 1 . . . . 43 GLU HA . 15459 1 293 . 1 1 25 25 GLU HB2 H 1 2.144 0.019 . 1 . . . . 43 GLU HB2 . 15459 1 294 . 1 1 25 25 GLU HB3 H 1 2.144 0.019 . 1 . . . . 43 GLU HB3 . 15459 1 295 . 1 1 25 25 GLU HG2 H 1 2.173 0.008 . 1 . . . . 43 GLU HG2 . 15459 1 296 . 1 1 25 25 GLU HG3 H 1 2.173 0.008 . 1 . . . . 43 GLU HG3 . 15459 1 297 . 1 1 25 25 GLU C C 13 176.077 0.2 . 1 . . . . 43 GLU C . 15459 1 298 . 1 1 25 25 GLU CA C 13 54.874 0.049 . 1 . . . . 43 GLU CA . 15459 1 299 . 1 1 25 25 GLU CB C 13 32.777 0.085 . 1 . . . . 43 GLU CB . 15459 1 300 . 1 1 25 25 GLU CG C 13 36.578 0.023 . 1 . . . . 43 GLU CG . 15459 1 301 . 1 1 25 25 GLU N N 15 120.767 0.026 . 1 . . . . 43 GLU N . 15459 1 302 . 1 1 26 26 GLY H H 1 8.636 0.004 . 1 . . . . 44 GLY HN . 15459 1 303 . 1 1 26 26 GLY HA2 H 1 4.022 0.005 . 2 . . . . 44 GLY HA2 . 15459 1 304 . 1 1 26 26 GLY HA3 H 1 3.668 0.009 . 2 . . . . 44 GLY HA3 . 15459 1 305 . 1 1 26 26 GLY C C 13 175.095 0.2 . 1 . . . . 44 GLY C . 15459 1 306 . 1 1 26 26 GLY CA C 13 46.71 0.014 . 1 . . . . 44 GLY CA . 15459 1 307 . 1 1 26 26 GLY N N 15 108.14 0.035 . 1 . . . . 44 GLY N . 15459 1 308 . 1 1 27 27 LEU H H 1 8.52 0.006 . 1 . . . . 45 LEU HN . 15459 1 309 . 1 1 27 27 LEU HA H 1 4.717 0.007 . 1 . . . . 45 LEU HA . 15459 1 310 . 1 1 27 27 LEU HB2 H 1 1.669 0.016 . 1 . . . . 45 LEU HB2 . 15459 1 311 . 1 1 27 27 LEU HB3 H 1 1.568 0.014 . 1 . . . . 45 LEU HB3 . 15459 1 312 . 1 1 27 27 LEU HD11 H 1 0.743 0.002 . 2 . . . . 45 LEU HD1 . 15459 1 313 . 1 1 27 27 LEU HD12 H 1 0.743 0.002 . 2 . . . . 45 LEU HD1 . 15459 1 314 . 1 1 27 27 LEU HD13 H 1 0.743 0.002 . 2 . . . . 45 LEU HD1 . 15459 1 315 . 1 1 27 27 LEU HD21 H 1 0.765 0.008 . 2 . . . . 45 LEU HD2 . 15459 1 316 . 1 1 27 27 LEU HD22 H 1 0.765 0.008 . 2 . . . . 45 LEU HD2 . 15459 1 317 . 1 1 27 27 LEU HD23 H 1 0.765 0.008 . 2 . . . . 45 LEU HD2 . 15459 1 318 . 1 1 27 27 LEU HG H 1 1.607 0.007 . 1 . . . . 45 LEU HG . 15459 1 319 . 1 1 27 27 LEU C C 13 177.427 0.2 . 1 . . . . 45 LEU C . 15459 1 320 . 1 1 27 27 LEU CA C 13 54.752 0.117 . 1 . . . . 45 LEU CA . 15459 1 321 . 1 1 27 27 LEU CB C 13 43.906 0.093 . 1 . . . . 45 LEU CB . 15459 1 322 . 1 1 27 27 LEU CD1 C 13 27.213 0.05 . 2 . . . . 45 LEU CD1 . 15459 1 323 . 1 1 27 27 LEU CD2 C 13 24.099 0.046 . 2 . . . . 45 LEU CD2 . 15459 1 324 . 1 1 27 27 LEU CG C 13 27.279 0.2 . 1 . . . . 45 LEU CG . 15459 1 325 . 1 1 27 27 LEU N N 15 119.9 0.054 . 1 . . . . 45 LEU N . 15459 1 326 . 1 1 28 28 THR H H 1 7.532 0.005 . 1 . . . . 46 THR HN . 15459 1 327 . 1 1 28 28 THR HA H 1 4.841 0.007 . 1 . . . . 46 THR HA . 15459 1 328 . 1 1 28 28 THR HB H 1 4.91 0.008 . 1 . . . . 46 THR HB . 15459 1 329 . 1 1 28 28 THR HG21 H 1 1.462 0.01 . 1 . . . . 46 THR HG2 . 15459 1 330 . 1 1 28 28 THR HG22 H 1 1.462 0.01 . 1 . . . . 46 THR HG2 . 15459 1 331 . 1 1 28 28 THR HG23 H 1 1.462 0.01 . 1 . . . . 46 THR HG2 . 15459 1 332 . 1 1 28 28 THR C C 13 175.943 0.2 . 1 . . . . 46 THR C . 15459 1 333 . 1 1 28 28 THR CA C 13 60.1 0.067 . 1 . . . . 46 THR CA . 15459 1 334 . 1 1 28 28 THR CB C 13 71.861 0.123 . 1 . . . . 46 THR CB . 15459 1 335 . 1 1 28 28 THR CG2 C 13 22.302 0.071 . 1 . . . . 46 THR CG2 . 15459 1 336 . 1 1 28 28 THR N N 15 109.904 0.033 . 1 . . . . 46 THR N . 15459 1 337 . 1 1 29 29 GLU H H 1 9.5 0.005 . 1 . . . . 47 GLU HN . 15459 1 338 . 1 1 29 29 GLU HA H 1 3.57 0.008 . 1 . . . . 47 GLU HA . 15459 1 339 . 1 1 29 29 GLU HB2 H 1 2.192 0.007 . 2 . . . . 47 GLU HB2 . 15459 1 340 . 1 1 29 29 GLU HB3 H 1 2.041 0.009 . 2 . . . . 47 GLU HB3 . 15459 1 341 . 1 1 29 29 GLU HG2 H 1 2.323 0.008 . 1 . . . . 47 GLU HG2 . 15459 1 342 . 1 1 29 29 GLU HG3 H 1 2.323 0.008 . 1 . . . . 47 GLU HG3 . 15459 1 343 . 1 1 29 29 GLU C C 13 178.321 0.2 . 1 . . . . 47 GLU C . 15459 1 344 . 1 1 29 29 GLU CA C 13 60.248 0.126 . 1 . . . . 47 GLU CA . 15459 1 345 . 1 1 29 29 GLU CB C 13 29.906 0.074 . 1 . . . . 47 GLU CB . 15459 1 346 . 1 1 29 29 GLU CG C 13 36.862 0.107 . 1 . . . . 47 GLU CG . 15459 1 347 . 1 1 29 29 GLU N N 15 120.195 0.028 . 1 . . . . 47 GLU N . 15459 1 348 . 1 1 30 30 GLU H H 1 8.811 0.004 . 1 . . . . 48 GLU HN . 15459 1 349 . 1 1 30 30 GLU HA H 1 4.061 0.007 . 1 . . . . 48 GLU HA . 15459 1 350 . 1 1 30 30 GLU HB2 H 1 2.052 0.007 . 2 . . . . 48 GLU HB2 . 15459 1 351 . 1 1 30 30 GLU HB3 H 1 1.947 0.011 . 2 . . . . 48 GLU HB3 . 15459 1 352 . 1 1 30 30 GLU HG2 H 1 2.298 0.006 . 1 . . . . 48 GLU HG2 . 15459 1 353 . 1 1 30 30 GLU HG3 H 1 2.298 0.006 . 1 . . . . 48 GLU HG3 . 15459 1 354 . 1 1 30 30 GLU C C 13 179.057 0.2 . 1 . . . . 48 GLU C . 15459 1 355 . 1 1 30 30 GLU CA C 13 59.842 0.119 . 1 . . . . 48 GLU CA . 15459 1 356 . 1 1 30 30 GLU CB C 13 29.187 0.044 . 1 . . . . 48 GLU CB . 15459 1 357 . 1 1 30 30 GLU CG C 13 36.609 0.087 . 1 . . . . 48 GLU CG . 15459 1 358 . 1 1 30 30 GLU N N 15 119.498 0.03 . 1 . . . . 48 GLU N . 15459 1 359 . 1 1 31 31 MET H H 1 7.52 0.004 . 1 . . . . 49 MET HN . 15459 1 360 . 1 1 31 31 MET HA H 1 4.329 0.005 . 1 . . . . 49 MET HA . 15459 1 361 . 1 1 31 31 MET HB2 H 1 2.153 0.004 . 1 . . . . 49 MET HB2 . 15459 1 362 . 1 1 31 31 MET HB3 H 1 2.153 0.004 . 1 . . . . 49 MET HB3 . 15459 1 363 . 1 1 31 31 MET HE1 H 1 2.185 0.015 . 1 . . . . 49 MET HE . 15459 1 364 . 1 1 31 31 MET HE2 H 1 2.185 0.015 . 1 . . . . 49 MET HE . 15459 1 365 . 1 1 31 31 MET HE3 H 1 2.185 0.015 . 1 . . . . 49 MET HE . 15459 1 366 . 1 1 31 31 MET HG2 H 1 2.691 0.004 . 1 . . . . 49 MET HG2 . 15459 1 367 . 1 1 31 31 MET HG3 H 1 2.691 0.004 . 1 . . . . 49 MET HG3 . 15459 1 368 . 1 1 31 31 MET C C 13 178.484 0.2 . 1 . . . . 49 MET C . 15459 1 369 . 1 1 31 31 MET CA C 13 58.205 0.12 . 1 . . . . 49 MET CA . 15459 1 370 . 1 1 31 31 MET CB C 13 33.631 0.096 . 1 . . . . 49 MET CB . 15459 1 371 . 1 1 31 31 MET CE C 13 17.528 0.006 . 1 . . . . 49 MET CE . 15459 1 372 . 1 1 31 31 MET CG C 13 32.676 0.05 . 1 . . . . 49 MET CG . 15459 1 373 . 1 1 31 31 MET N N 15 118.822 0.069 . 1 . . . . 49 MET N . 15459 1 374 . 1 1 32 32 VAL H H 1 8.312 0.01 . 1 . . . . 50 VAL HN . 15459 1 375 . 1 1 32 32 VAL HA H 1 3.536 0.008 . 1 . . . . 50 VAL HA . 15459 1 376 . 1 1 32 32 VAL HB H 1 1.931 0.009 . 1 . . . . 50 VAL HB . 15459 1 377 . 1 1 32 32 VAL HG11 H 1 0.577 0.009 . 1 . . . . 50 VAL HG1 . 15459 1 378 . 1 1 32 32 VAL HG12 H 1 0.577 0.009 . 1 . . . . 50 VAL HG1 . 15459 1 379 . 1 1 32 32 VAL HG13 H 1 0.577 0.009 . 1 . . . . 50 VAL HG1 . 15459 1 380 . 1 1 32 32 VAL HG21 H 1 0.653 0.01 . 1 . . . . 50 VAL HG2 . 15459 1 381 . 1 1 32 32 VAL HG22 H 1 0.653 0.01 . 1 . . . . 50 VAL HG2 . 15459 1 382 . 1 1 32 32 VAL HG23 H 1 0.653 0.01 . 1 . . . . 50 VAL HG2 . 15459 1 383 . 1 1 32 32 VAL C C 13 178.908 0.2 . 1 . . . . 50 VAL C . 15459 1 384 . 1 1 32 32 VAL CA C 13 66.763 0.048 . 1 . . . . 50 VAL CA . 15459 1 385 . 1 1 32 32 VAL CB C 13 31.253 0.107 . 1 . . . . 50 VAL CB . 15459 1 386 . 1 1 32 32 VAL CG1 C 13 22.343 0.091 . 1 . . . . 50 VAL CG1 . 15459 1 387 . 1 1 32 32 VAL CG2 C 13 23.763 0.073 . 1 . . . . 50 VAL CG2 . 15459 1 388 . 1 1 32 32 VAL N N 15 117.86 0.047 . 1 . . . . 50 VAL N . 15459 1 389 . 1 1 33 33 THR H H 1 8.091 0.006 . 1 . . . . 51 THR HN . 15459 1 390 . 1 1 33 33 THR HA H 1 3.466 0.01 . 1 . . . . 51 THR HA . 15459 1 391 . 1 1 33 33 THR HB H 1 4.189 0.007 . 1 . . . . 51 THR HB . 15459 1 392 . 1 1 33 33 THR HG21 H 1 1.129 0.01 . 1 . . . . 51 THR HG2 . 15459 1 393 . 1 1 33 33 THR HG22 H 1 1.129 0.01 . 1 . . . . 51 THR HG2 . 15459 1 394 . 1 1 33 33 THR HG23 H 1 1.129 0.01 . 1 . . . . 51 THR HG2 . 15459 1 395 . 1 1 33 33 THR C C 13 175.078 0.2 . 1 . . . . 51 THR C . 15459 1 396 . 1 1 33 33 THR CA C 13 67.904 0.103 . 1 . . . . 51 THR CA . 15459 1 397 . 1 1 33 33 THR CB C 13 68.313 0.1 . 1 . . . . 51 THR CB . 15459 1 398 . 1 1 33 33 THR CG2 C 13 21.944 0.14 . 1 . . . . 51 THR CG2 . 15459 1 399 . 1 1 33 33 THR N N 15 118.659 0.032 . 1 . . . . 51 THR N . 15459 1 400 . 1 1 34 34 GLN H H 1 7.631 0.005 . 1 . . . . 52 GLN HN . 15459 1 401 . 1 1 34 34 GLN HA H 1 4.017 0.003 . 1 . . . . 52 GLN HA . 15459 1 402 . 1 1 34 34 GLN HB2 H 1 2.164 0.007 . 1 . . . . 52 GLN HB2 . 15459 1 403 . 1 1 34 34 GLN HB3 H 1 2.164 0.007 . 1 . . . . 52 GLN HB3 . 15459 1 404 . 1 1 34 34 GLN HE21 H 1 7.401 0.003 . 2 . . . . 52 GLN HE21 . 15459 1 405 . 1 1 34 34 GLN HE22 H 1 6.735 0.02 . 2 . . . . 52 GLN HE22 . 15459 1 406 . 1 1 34 34 GLN HG2 H 1 2.468 0.008 . 2 . . . . 52 GLN HG2 . 15459 1 407 . 1 1 34 34 GLN HG3 H 1 2.307 0.006 . 2 . . . . 52 GLN HG3 . 15459 1 408 . 1 1 34 34 GLN C C 13 178.902 0.2 . 1 . . . . 52 GLN C . 15459 1 409 . 1 1 34 34 GLN CA C 13 59.504 0.073 . 1 . . . . 52 GLN CA . 15459 1 410 . 1 1 34 34 GLN CB C 13 28.685 0.079 . 1 . . . . 52 GLN CB . 15459 1 411 . 1 1 34 34 GLN CG C 13 33.644 0.056 . 1 . . . . 52 GLN CG . 15459 1 412 . 1 1 34 34 GLN N N 15 120.642 0.047 . 1 . . . . 52 GLN N . 15459 1 413 . 1 1 34 34 GLN NE2 N 15 110.963 0.151 . 1 . . . . 52 GLN NE2 . 15459 1 414 . 1 1 35 35 LEU H H 1 8.524 0.008 . 1 . . . . 53 LEU HN . 15459 1 415 . 1 1 35 35 LEU HA H 1 4.074 0.008 . 1 . . . . 53 LEU HA . 15459 1 416 . 1 1 35 35 LEU HB2 H 1 1.763 0.006 . 2 . . . . 53 LEU HB2 . 15459 1 417 . 1 1 35 35 LEU HB3 H 1 1.396 0.008 . 2 . . . . 53 LEU HB3 . 15459 1 418 . 1 1 35 35 LEU HD21 H 1 0.881 0.007 . 2 . . . . 53 LEU HD2 . 15459 1 419 . 1 1 35 35 LEU HD22 H 1 0.881 0.007 . 2 . . . . 53 LEU HD2 . 15459 1 420 . 1 1 35 35 LEU HD23 H 1 0.881 0.007 . 2 . . . . 53 LEU HD2 . 15459 1 421 . 1 1 35 35 LEU HG H 1 0.841 0.016 . 1 . . . . 53 LEU HG . 15459 1 422 . 1 1 35 35 LEU C C 13 179.889 0.2 . 1 . . . . 53 LEU C . 15459 1 423 . 1 1 35 35 LEU CA C 13 58.228 0.124 . 1 . . . . 53 LEU CA . 15459 1 424 . 1 1 35 35 LEU CB C 13 42.636 0.052 . 1 . . . . 53 LEU CB . 15459 1 425 . 1 1 35 35 LEU CD2 C 13 22.848 0.048 . 2 . . . . 53 LEU CD2 . 15459 1 426 . 1 1 35 35 LEU CG C 13 26.141 0.062 . 1 . . . . 53 LEU CG . 15459 1 427 . 1 1 35 35 LEU N N 15 118.879 0.048 . 1 . . . . 53 LEU N . 15459 1 428 . 1 1 36 36 SER H H 1 8.202 0.01 . 1 . . . . 54 SER HN . 15459 1 429 . 1 1 36 36 SER HA H 1 4.163 0.005 . 1 . . . . 54 SER HA . 15459 1 430 . 1 1 36 36 SER HB2 H 1 3.694 0.012 . 2 . . . . 54 SER HB2 . 15459 1 431 . 1 1 36 36 SER HB3 H 1 3.514 0.009 . 2 . . . . 54 SER HB3 . 15459 1 432 . 1 1 36 36 SER C C 13 175.9 0.2 . 1 . . . . 54 SER C . 15459 1 433 . 1 1 36 36 SER CA C 13 63.905 0.055 . 1 . . . . 54 SER CA . 15459 1 434 . 1 1 36 36 SER CB C 13 62.339 0.051 . 1 . . . . 54 SER CB . 15459 1 435 . 1 1 36 36 SER N N 15 114.859 0.021 . 1 . . . . 54 SER N . 15459 1 436 . 1 1 37 37 ARG H H 1 8.14 0.003 . 1 . . . . 55 ARG HN . 15459 1 437 . 1 1 37 37 ARG HA H 1 3.959 0.011 . 1 . . . . 55 ARG HA . 15459 1 438 . 1 1 37 37 ARG HB2 H 1 2.126 0.006 . 2 . . . . 55 ARG HB2 . 15459 1 439 . 1 1 37 37 ARG HB3 H 1 1.786 0.011 . 2 . . . . 55 ARG HB3 . 15459 1 440 . 1 1 37 37 ARG HD2 H 1 3.299 0.006 . 2 . . . . 55 ARG HD2 . 15459 1 441 . 1 1 37 37 ARG HD3 H 1 3.113 0.009 . 2 . . . . 55 ARG HD3 . 15459 1 442 . 1 1 37 37 ARG HG2 H 1 1.847 0.017 . 2 . . . . 55 ARG HG2 . 15459 1 443 . 1 1 37 37 ARG HG3 H 1 1.742 0.012 . 2 . . . . 55 ARG HG3 . 15459 1 444 . 1 1 37 37 ARG C C 13 177.469 0.2 . 1 . . . . 55 ARG C . 15459 1 445 . 1 1 37 37 ARG CA C 13 58.554 0.095 . 1 . . . . 55 ARG CA . 15459 1 446 . 1 1 37 37 ARG CB C 13 29.238 0.068 . 1 . . . . 55 ARG CB . 15459 1 447 . 1 1 37 37 ARG CD C 13 42.544 0.038 . 1 . . . . 55 ARG CD . 15459 1 448 . 1 1 37 37 ARG CG C 13 26.451 0.037 . 1 . . . . 55 ARG CG . 15459 1 449 . 1 1 37 37 ARG N N 15 122.156 0.043 . 1 . . . . 55 ARG N . 15459 1 450 . 1 1 38 38 GLN H H 1 8.027 0.006 . 1 . . . . 56 GLN HN . 15459 1 451 . 1 1 38 38 GLN HA H 1 4.236 0.008 . 1 . . . . 56 GLN HA . 15459 1 452 . 1 1 38 38 GLN HB2 H 1 2.385 0.004 . 2 . . . . 56 GLN HB2 . 15459 1 453 . 1 1 38 38 GLN HB3 H 1 2.261 0.01 . 2 . . . . 56 GLN HB3 . 15459 1 454 . 1 1 38 38 GLN HE21 H 1 7.766 0.004 . 2 . . . . 56 GLN HE21 . 15459 1 455 . 1 1 38 38 GLN HE22 H 1 6.892 0.004 . 2 . . . . 56 GLN HE22 . 15459 1 456 . 1 1 38 38 GLN HG2 H 1 2.567 0.008 . 2 . . . . 56 GLN HG2 . 15459 1 457 . 1 1 38 38 GLN HG3 H 1 2.395 0.005 . 2 . . . . 56 GLN HG3 . 15459 1 458 . 1 1 38 38 GLN C C 13 179.315 0.2 . 1 . . . . 56 GLN C . 15459 1 459 . 1 1 38 38 GLN CA C 13 59.359 0.1 . 1 . . . . 56 GLN CA . 15459 1 460 . 1 1 38 38 GLN CB C 13 28.987 0.117 . 1 . . . . 56 GLN CB . 15459 1 461 . 1 1 38 38 GLN CG C 13 34.843 0.036 . 1 . . . . 56 GLN CG . 15459 1 462 . 1 1 38 38 GLN N N 15 117.881 0.024 . 1 . . . . 56 GLN N . 15459 1 463 . 1 1 38 38 GLN NE2 N 15 111.181 0.102 . 1 . . . . 56 GLN NE2 . 15459 1 464 . 1 1 39 39 GLU H H 1 7.79 0.006 . 1 . . . . 57 GLU HN . 15459 1 465 . 1 1 39 39 GLU HA H 1 4.132 0.009 . 1 . . . . 57 GLU HA . 15459 1 466 . 1 1 39 39 GLU HB2 H 1 2.26 0.011 . 1 . . . . 57 GLU HB2 . 15459 1 467 . 1 1 39 39 GLU HB3 H 1 2.26 0.011 . 1 . . . . 57 GLU HB3 . 15459 1 468 . 1 1 39 39 GLU HG2 H 1 2.612 0.006 . 1 . . . . 57 GLU HG2 . 15459 1 469 . 1 1 39 39 GLU HG3 H 1 2.612 0.006 . 1 . . . . 57 GLU HG3 . 15459 1 470 . 1 1 39 39 GLU C C 13 178.647 0.2 . 1 . . . . 57 GLU C . 15459 1 471 . 1 1 39 39 GLU CA C 13 58.897 0.066 . 1 . . . . 57 GLU CA . 15459 1 472 . 1 1 39 39 GLU CB C 13 29.367 0.087 . 1 . . . . 57 GLU CB . 15459 1 473 . 1 1 39 39 GLU CG C 13 36.432 0.054 . 1 . . . . 57 GLU CG . 15459 1 474 . 1 1 39 39 GLU N N 15 117.414 0.036 . 1 . . . . 57 GLU N . 15459 1 475 . 1 1 40 40 PHE H H 1 8.61 0.007 . 1 . . . . 58 PHE HN . 15459 1 476 . 1 1 40 40 PHE HA H 1 4.392 0.003 . 1 . . . . 58 PHE HA . 15459 1 477 . 1 1 40 40 PHE HB2 H 1 3.233 0.016 . 2 . . . . 58 PHE HB2 . 15459 1 478 . 1 1 40 40 PHE HB3 H 1 3.149 0.015 . 2 . . . . 58 PHE HB3 . 15459 1 479 . 1 1 40 40 PHE HD1 H 1 7.349 0.013 . 3 . . . . 58 PHE HD1 . 15459 1 480 . 1 1 40 40 PHE HD2 H 1 7.349 0.013 . 3 . . . . 58 PHE HD2 . 15459 1 481 . 1 1 40 40 PHE HE1 H 1 7.47 0.005 . 3 . . . . 58 PHE HE1 . 15459 1 482 . 1 1 40 40 PHE HE2 H 1 7.47 0.005 . 3 . . . . 58 PHE HE2 . 15459 1 483 . 1 1 40 40 PHE HZ H 1 7.354 0.02 . 1 . . . . 58 PHE HZ . 15459 1 484 . 1 1 40 40 PHE C C 13 176.784 0.2 . 1 . . . . 58 PHE C . 15459 1 485 . 1 1 40 40 PHE CA C 13 60.954 0.08 . 1 . . . . 58 PHE CA . 15459 1 486 . 1 1 40 40 PHE CB C 13 40.422 0.112 . 1 . . . . 58 PHE CB . 15459 1 487 . 1 1 40 40 PHE N N 15 121.933 0.035 . 1 . . . . 58 PHE N . 15459 1 488 . 1 1 41 41 ASP H H 1 8.815 0.006 . 1 . . . . 59 ASP HN . 15459 1 489 . 1 1 41 41 ASP HA H 1 4.2 0.003 . 1 . . . . 59 ASP HA . 15459 1 490 . 1 1 41 41 ASP HB2 H 1 2.727 0.013 . 2 . . . . 59 ASP HB2 . 15459 1 491 . 1 1 41 41 ASP HB3 H 1 2.619 0.006 . 2 . . . . 59 ASP HB3 . 15459 1 492 . 1 1 41 41 ASP C C 13 178.684 0.2 . 1 . . . . 59 ASP C . 15459 1 493 . 1 1 41 41 ASP CA C 13 56.851 0.076 . 1 . . . . 59 ASP CA . 15459 1 494 . 1 1 41 41 ASP CB C 13 40.202 0.069 . 1 . . . . 59 ASP CB . 15459 1 495 . 1 1 41 41 ASP N N 15 117.808 0.042 . 1 . . . . 59 ASP N . 15459 1 496 . 1 1 42 42 LYS H H 1 7.348 0.004 . 1 . . . . 60 LYS HN . 15459 1 497 . 1 1 42 42 LYS HA H 1 4.005 0.003 . 1 . . . . 60 LYS HA . 15459 1 498 . 1 1 42 42 LYS HB2 H 1 1.885 0.009 . 1 . . . . 60 LYS HB2 . 15459 1 499 . 1 1 42 42 LYS HB3 H 1 1.885 0.009 . 1 . . . . 60 LYS HB3 . 15459 1 500 . 1 1 42 42 LYS HD2 H 1 1.704 0.009 . 1 . . . . 60 LYS HD2 . 15459 1 501 . 1 1 42 42 LYS HD3 H 1 1.704 0.009 . 1 . . . . 60 LYS HD3 . 15459 1 502 . 1 1 42 42 LYS HE2 H 1 2.886 0.005 . 1 . . . . 60 LYS HE2 . 15459 1 503 . 1 1 42 42 LYS HE3 H 1 2.886 0.005 . 1 . . . . 60 LYS HE3 . 15459 1 504 . 1 1 42 42 LYS HG2 H 1 1.67 0.013 . 2 . . . . 60 LYS HG2 . 15459 1 505 . 1 1 42 42 LYS HG3 H 1 1.409 0.007 . 2 . . . . 60 LYS HG3 . 15459 1 506 . 1 1 42 42 LYS C C 13 177.112 0.2 . 1 . . . . 60 LYS C . 15459 1 507 . 1 1 42 42 LYS CA C 13 58.933 0.071 . 1 . . . . 60 LYS CA . 15459 1 508 . 1 1 42 42 LYS CB C 13 33.155 0.109 . 1 . . . . 60 LYS CB . 15459 1 509 . 1 1 42 42 LYS CD C 13 29.873 0.11 . 1 . . . . 60 LYS CD . 15459 1 510 . 1 1 42 42 LYS CE C 13 42.046 0.062 . 1 . . . . 60 LYS CE . 15459 1 511 . 1 1 42 42 LYS CG C 13 25.44 0.071 . 1 . . . . 60 LYS CG . 15459 1 512 . 1 1 42 42 LYS N N 15 119.099 0.058 . 1 . . . . 60 LYS N . 15459 1 513 . 1 1 43 43 ASP H H 1 7.402 0.003 . 1 . . . . 61 ASP HN . 15459 1 514 . 1 1 43 43 ASP HA H 1 4.495 0.005 . 1 . . . . 61 ASP HA . 15459 1 515 . 1 1 43 43 ASP HB2 H 1 2.651 0.017 . 1 . . . . 61 ASP HB2 . 15459 1 516 . 1 1 43 43 ASP HB3 H 1 2.651 0.017 . 1 . . . . 61 ASP HB3 . 15459 1 517 . 1 1 43 43 ASP CA C 13 54.15 0.084 . 1 . . . . 61 ASP CA . 15459 1 518 . 1 1 43 43 ASP CB C 13 40.976 0.126 . 1 . . . . 61 ASP CB . 15459 1 519 . 1 1 43 43 ASP N N 15 115.623 0.026 . 1 . . . . 61 ASP N . 15459 1 520 . 1 1 44 44 ASN H H 1 9.265 0.018 . 1 . . . . 62 ASN HN . 15459 1 521 . 1 1 44 44 ASN HA H 1 3.981 0.004 . 1 . . . . 62 ASN HA . 15459 1 522 . 1 1 44 44 ASN HB2 H 1 2.551 0.011 . 1 . . . . 62 ASN HB2 . 15459 1 523 . 1 1 44 44 ASN HB3 H 1 2.551 0.011 . 1 . . . . 62 ASN HB3 . 15459 1 524 . 1 1 44 44 ASN HD21 H 1 7.084 0.012 . 2 . . . . 62 ASN HD21 . 15459 1 525 . 1 1 44 44 ASN HD22 H 1 7.03 0.012 . 2 . . . . 62 ASN HD22 . 15459 1 526 . 1 1 44 44 ASN C C 13 175.307 0.2 . 1 . . . . 62 ASN C . 15459 1 527 . 1 1 44 44 ASN CA C 13 54.427 0.073 . 1 . . . . 62 ASN CA . 15459 1 528 . 1 1 44 44 ASN CB C 13 38.235 0.082 . 1 . . . . 62 ASN CB . 15459 1 529 . 1 1 44 44 ASN N N 15 125.581 0.067 . 1 . . . . 62 ASN N . 15459 1 530 . 1 1 44 44 ASN ND2 N 15 113.909 0.02 . 1 . . . . 62 ASN ND2 . 15459 1 531 . 1 1 45 45 ASN H H 1 8.719 0.004 . 1 . . . . 63 ASN HN . 15459 1 532 . 1 1 45 45 ASN HA H 1 4.877 0.004 . 1 . . . . 63 ASN HA . 15459 1 533 . 1 1 45 45 ASN HB2 H 1 2.924 0.016 . 2 . . . . 63 ASN HB2 . 15459 1 534 . 1 1 45 45 ASN HB3 H 1 2.848 0.011 . 2 . . . . 63 ASN HB3 . 15459 1 535 . 1 1 45 45 ASN HD21 H 1 7.779 0.003 . 2 . . . . 63 ASN HD21 . 15459 1 536 . 1 1 45 45 ASN HD22 H 1 6.946 0.003 . 2 . . . . 63 ASN HD22 . 15459 1 537 . 1 1 45 45 ASN C C 13 175.199 0.2 . 1 . . . . 63 ASN C . 15459 1 538 . 1 1 45 45 ASN CA C 13 53.387 0.064 . 1 . . . . 63 ASN CA . 15459 1 539 . 1 1 45 45 ASN CB C 13 38.795 0.099 . 1 . . . . 63 ASN CB . 15459 1 540 . 1 1 45 45 ASN N N 15 116.953 0.042 . 1 . . . . 63 ASN N . 15459 1 541 . 1 1 45 45 ASN ND2 N 15 114.346 0.063 . 1 . . . . 63 ASN ND2 . 15459 1 542 . 1 1 46 46 THR H H 1 7.547 0.005 . 1 . . . . 64 THR HN . 15459 1 543 . 1 1 46 46 THR HA H 1 3.719 0.005 . 1 . . . . 64 THR HA . 15459 1 544 . 1 1 46 46 THR HB H 1 3.964 0.005 . 1 . . . . 64 THR HB . 15459 1 545 . 1 1 46 46 THR HG21 H 1 0.66 0.008 . 1 . . . . 64 THR HG2 . 15459 1 546 . 1 1 46 46 THR HG22 H 1 0.66 0.008 . 1 . . . . 64 THR HG2 . 15459 1 547 . 1 1 46 46 THR HG23 H 1 0.66 0.008 . 1 . . . . 64 THR HG2 . 15459 1 548 . 1 1 46 46 THR C C 13 172.309 0.2 . 1 . . . . 64 THR C . 15459 1 549 . 1 1 46 46 THR CA C 13 65.297 0.042 . 1 . . . . 64 THR CA . 15459 1 550 . 1 1 46 46 THR CB C 13 70.851 0.147 . 1 . . . . 64 THR CB . 15459 1 551 . 1 1 46 46 THR CG2 C 13 22.407 0.047 . 1 . . . . 64 THR CG2 . 15459 1 552 . 1 1 46 46 THR N N 15 119.31 0.036 . 1 . . . . 64 THR N . 15459 1 553 . 1 1 47 47 LEU H H 1 8.586 0.006 . 1 . . . . 65 LEU HN . 15459 1 554 . 1 1 47 47 LEU HA H 1 4.502 0.009 . 1 . . . . 65 LEU HA . 15459 1 555 . 1 1 47 47 LEU HB2 H 1 1.636 0.007 . 2 . . . . 65 LEU HB2 . 15459 1 556 . 1 1 47 47 LEU HB3 H 1 1.38 0.01 . 2 . . . . 65 LEU HB3 . 15459 1 557 . 1 1 47 47 LEU HD11 H 1 0.752 0.008 . 1 . . . . 65 LEU HD1 . 15459 1 558 . 1 1 47 47 LEU HD12 H 1 0.752 0.008 . 1 . . . . 65 LEU HD1 . 15459 1 559 . 1 1 47 47 LEU HD13 H 1 0.752 0.008 . 1 . . . . 65 LEU HD1 . 15459 1 560 . 1 1 47 47 LEU HD21 H 1 0.748 0.022 . 1 . . . . 65 LEU HD2 . 15459 1 561 . 1 1 47 47 LEU HD22 H 1 0.748 0.022 . 1 . . . . 65 LEU HD2 . 15459 1 562 . 1 1 47 47 LEU HD23 H 1 0.748 0.022 . 1 . . . . 65 LEU HD2 . 15459 1 563 . 1 1 47 47 LEU HG H 1 1.229 0.017 . 1 . . . . 65 LEU HG . 15459 1 564 . 1 1 47 47 LEU C C 13 173.683 0.2 . 1 . . . . 65 LEU C . 15459 1 565 . 1 1 47 47 LEU CA C 13 54.465 0.054 . 1 . . . . 65 LEU CA . 15459 1 566 . 1 1 47 47 LEU CB C 13 42.751 0.049 . 1 . . . . 65 LEU CB . 15459 1 567 . 1 1 47 47 LEU CD1 C 13 23.114 0.047 . 1 . . . . 65 LEU CD1 . 15459 1 568 . 1 1 47 47 LEU CD2 C 13 26.089 0.131 . 1 . . . . 65 LEU CD2 . 15459 1 569 . 1 1 47 47 LEU CG C 13 27.1 0.2 . 1 . . . . 65 LEU CG . 15459 1 570 . 1 1 47 47 LEU N N 15 130.446 0.041 . 1 . . . . 65 LEU N . 15459 1 571 . 1 1 48 48 PHE H H 1 8.444 0.003 . 1 . . . . 66 PHE HN . 15459 1 572 . 1 1 48 48 PHE HA H 1 5.14 0.005 . 1 . . . . 66 PHE HA . 15459 1 573 . 1 1 48 48 PHE HB2 H 1 2.958 0.01 . 2 . . . . 66 PHE HB2 . 15459 1 574 . 1 1 48 48 PHE HB3 H 1 2.586 0.005 . 2 . . . . 66 PHE HB3 . 15459 1 575 . 1 1 48 48 PHE HD1 H 1 7.209 0.02 . 3 . . . . 66 PHE HD1 . 15459 1 576 . 1 1 48 48 PHE HD2 H 1 7.209 0.02 . 3 . . . . 66 PHE HD2 . 15459 1 577 . 1 1 48 48 PHE HE1 H 1 7.345 0.007 . 3 . . . . 66 PHE HE1 . 15459 1 578 . 1 1 48 48 PHE HE2 H 1 7.345 0.007 . 3 . . . . 66 PHE HE2 . 15459 1 579 . 1 1 48 48 PHE C C 13 175.071 0.2 . 1 . . . . 66 PHE C . 15459 1 580 . 1 1 48 48 PHE CA C 13 57.177 0.066 . 1 . . . . 66 PHE CA . 15459 1 581 . 1 1 48 48 PHE CB C 13 41.117 0.055 . 1 . . . . 66 PHE CB . 15459 1 582 . 1 1 48 48 PHE N N 15 125.287 0.044 . 1 . . . . 66 PHE N . 15459 1 583 . 1 1 49 49 LEU H H 1 9.004 0.008 . 1 . . . . 67 LEU HN . 15459 1 584 . 1 1 49 49 LEU HA H 1 5.124 0.009 . 1 . . . . 67 LEU HA . 15459 1 585 . 1 1 49 49 LEU HB2 H 1 1.77 0.01 . 2 . . . . 67 LEU HB2 . 15459 1 586 . 1 1 49 49 LEU HB3 H 1 1.271 0.008 . 2 . . . . 67 LEU HB3 . 15459 1 587 . 1 1 49 49 LEU HD11 H 1 0.736 0.008 . 1 . . . . 67 LEU HD1 . 15459 1 588 . 1 1 49 49 LEU HD12 H 1 0.736 0.008 . 1 . . . . 67 LEU HD1 . 15459 1 589 . 1 1 49 49 LEU HD13 H 1 0.736 0.008 . 1 . . . . 67 LEU HD1 . 15459 1 590 . 1 1 49 49 LEU HD21 H 1 0.664 0.012 . 1 . . . . 67 LEU HD2 . 15459 1 591 . 1 1 49 49 LEU HD22 H 1 0.664 0.012 . 1 . . . . 67 LEU HD2 . 15459 1 592 . 1 1 49 49 LEU HD23 H 1 0.664 0.012 . 1 . . . . 67 LEU HD2 . 15459 1 593 . 1 1 49 49 LEU HG H 1 1.439 0.007 . 1 . . . . 67 LEU HG . 15459 1 594 . 1 1 49 49 LEU C C 13 175.448 0.2 . 1 . . . . 67 LEU C . 15459 1 595 . 1 1 49 49 LEU CA C 13 52.5 0.067 . 1 . . . . 67 LEU CA . 15459 1 596 . 1 1 49 49 LEU CB C 13 46.606 0.052 . 1 . . . . 67 LEU CB . 15459 1 597 . 1 1 49 49 LEU CD1 C 13 26.604 0.133 . 1 . . . . 67 LEU CD1 . 15459 1 598 . 1 1 49 49 LEU CD2 C 13 22.925 0.038 . 1 . . . . 67 LEU CD2 . 15459 1 599 . 1 1 49 49 LEU CG C 13 27.159 0.118 . 1 . . . . 67 LEU CG . 15459 1 600 . 1 1 49 49 LEU N N 15 122.698 0.056 . 1 . . . . 67 LEU N . 15459 1 601 . 1 1 50 50 VAL H H 1 9.063 0.005 . 1 . . . . 68 VAL HN . 15459 1 602 . 1 1 50 50 VAL HA H 1 5.87 0.004 . 1 . . . . 68 VAL HA . 15459 1 603 . 1 1 50 50 VAL HB H 1 1.947 0.004 . 1 . . . . 68 VAL HB . 15459 1 604 . 1 1 50 50 VAL HG11 H 1 1.008 0.005 . 2 . . . . 68 VAL HG1 . 15459 1 605 . 1 1 50 50 VAL HG12 H 1 1.008 0.005 . 2 . . . . 68 VAL HG1 . 15459 1 606 . 1 1 50 50 VAL HG13 H 1 1.008 0.005 . 2 . . . . 68 VAL HG1 . 15459 1 607 . 1 1 50 50 VAL C C 13 175.563 0.2 . 1 . . . . 68 VAL C . 15459 1 608 . 1 1 50 50 VAL CA C 13 59.539 0.028 . 1 . . . . 68 VAL CA . 15459 1 609 . 1 1 50 50 VAL CB C 13 36.087 0.062 . 1 . . . . 68 VAL CB . 15459 1 610 . 1 1 50 50 VAL CG1 C 13 21.956 0.143 . 2 . . . . 68 VAL CG1 . 15459 1 611 . 1 1 50 50 VAL CG2 C 13 21.822 0.2 . 2 . . . . 68 VAL CG2 . 15459 1 612 . 1 1 50 50 VAL N N 15 117.746 0.02 . 1 . . . . 68 VAL N . 15459 1 613 . 1 1 51 51 GLY H H 1 8.241 0.006 . 1 . . . . 69 GLY HN . 15459 1 614 . 1 1 51 51 GLY HA2 H 1 4.559 0.009 . 2 . . . . 69 GLY HA2 . 15459 1 615 . 1 1 51 51 GLY HA3 H 1 4.353 0.006 . 2 . . . . 69 GLY HA3 . 15459 1 616 . 1 1 51 51 GLY C C 13 171.282 0.2 . 1 . . . . 69 GLY C . 15459 1 617 . 1 1 51 51 GLY CA C 13 45.835 0.041 . 1 . . . . 69 GLY CA . 15459 1 618 . 1 1 51 51 GLY N N 15 108.789 0.058 . 1 . . . . 69 GLY N . 15459 1 619 . 1 1 52 52 GLY H H 1 9.282 0.006 . 1 . . . . 70 GLY HN . 15459 1 620 . 1 1 52 52 GLY HA2 H 1 4.857 0.005 . 2 . . . . 70 GLY HA2 . 15459 1 621 . 1 1 52 52 GLY HA3 H 1 3.453 0.005 . 2 . . . . 70 GLY HA3 . 15459 1 622 . 1 1 52 52 GLY C C 13 171.466 0.2 . 1 . . . . 70 GLY C . 15459 1 623 . 1 1 52 52 GLY CA C 13 45.228 0.045 . 1 . . . . 70 GLY CA . 15459 1 624 . 1 1 52 52 GLY N N 15 105.705 0.026 . 1 . . . . 70 GLY N . 15459 1 625 . 1 1 53 53 ALA H H 1 8.479 0.006 . 1 . . . . 71 ALA HN . 15459 1 626 . 1 1 53 53 ALA HA H 1 4.462 0.007 . 1 . . . . 71 ALA HA . 15459 1 627 . 1 1 53 53 ALA HB1 H 1 1.611 0.007 . 1 . . . . 71 ALA HB . 15459 1 628 . 1 1 53 53 ALA HB2 H 1 1.611 0.007 . 1 . . . . 71 ALA HB . 15459 1 629 . 1 1 53 53 ALA HB3 H 1 1.611 0.007 . 1 . . . . 71 ALA HB . 15459 1 630 . 1 1 53 53 ALA C C 13 177.89 0.2 . 1 . . . . 71 ALA C . 15459 1 631 . 1 1 53 53 ALA CA C 13 52.229 0.15 . 1 . . . . 71 ALA CA . 15459 1 632 . 1 1 53 53 ALA CB C 13 19.654 0.119 . 1 . . . . 71 ALA CB . 15459 1 633 . 1 1 53 53 ALA N N 15 124.547 0.027 . 1 . . . . 71 ALA N . 15459 1 634 . 1 1 54 54 LYS H H 1 8.683 0.005 . 1 . . . . 72 LYS HN . 15459 1 635 . 1 1 54 54 LYS HA H 1 4.232 0.007 . 1 . . . . 72 LYS HA . 15459 1 636 . 1 1 54 54 LYS HB2 H 1 2.177 0.014 . 1 . . . . 72 LYS HB2 . 15459 1 637 . 1 1 54 54 LYS HB3 H 1 2.177 0.014 . 1 . . . . 72 LYS HB3 . 15459 1 638 . 1 1 54 54 LYS HD2 H 1 1.844 0.013 . 2 . . . . 72 LYS HD2 . 15459 1 639 . 1 1 54 54 LYS HD3 H 1 1.76 0.007 . 2 . . . . 72 LYS HD3 . 15459 1 640 . 1 1 54 54 LYS HE2 H 1 3.05 0.006 . 1 . . . . 72 LYS HE2 . 15459 1 641 . 1 1 54 54 LYS HE3 H 1 3.05 0.006 . 1 . . . . 72 LYS HE3 . 15459 1 642 . 1 1 54 54 LYS HG2 H 1 1.556 0.011 . 1 . . . . 72 LYS HG2 . 15459 1 643 . 1 1 54 54 LYS HG3 H 1 1.556 0.011 . 1 . . . . 72 LYS HG3 . 15459 1 644 . 1 1 54 54 LYS C C 13 177.58 0.2 . 1 . . . . 72 LYS C . 15459 1 645 . 1 1 54 54 LYS CA C 13 60.059 0.073 . 1 . . . . 72 LYS CA . 15459 1 646 . 1 1 54 54 LYS CB C 13 32.865 0.102 . 1 . . . . 72 LYS CB . 15459 1 647 . 1 1 54 54 LYS CD C 13 29.371 0.073 . 1 . . . . 72 LYS CD . 15459 1 648 . 1 1 54 54 LYS CE C 13 42.557 0.064 . 1 . . . . 72 LYS CE . 15459 1 649 . 1 1 54 54 LYS CG C 13 24.548 0.092 . 1 . . . . 72 LYS CG . 15459 1 650 . 1 1 54 54 LYS N N 15 121.943 0.031 . 1 . . . . 72 LYS N . 15459 1 651 . 1 1 55 55 GLU H H 1 8.86 0.003 . 1 . . . . 73 GLU HN . 15459 1 652 . 1 1 55 55 GLU HA H 1 4.196 0.009 . 1 . . . . 73 GLU HA . 15459 1 653 . 1 1 55 55 GLU HB2 H 1 2.195 0.009 . 2 . . . . 73 GLU HB2 . 15459 1 654 . 1 1 55 55 GLU HB3 H 1 2.039 0.006 . 2 . . . . 73 GLU HB3 . 15459 1 655 . 1 1 55 55 GLU HG2 H 1 2.29 0.01 . 1 . . . . 73 GLU HG2 . 15459 1 656 . 1 1 55 55 GLU HG3 H 1 2.29 0.01 . 1 . . . . 73 GLU HG3 . 15459 1 657 . 1 1 55 55 GLU C C 13 176.497 0.2 . 1 . . . . 73 GLU C . 15459 1 658 . 1 1 55 55 GLU CA C 13 57.843 0.05 . 1 . . . . 73 GLU CA . 15459 1 659 . 1 1 55 55 GLU CB C 13 28.978 0.109 . 1 . . . . 73 GLU CB . 15459 1 660 . 1 1 55 55 GLU CG C 13 36.796 0.072 . 1 . . . . 73 GLU CG . 15459 1 661 . 1 1 55 55 GLU N N 15 114.786 0.036 . 1 . . . . 73 GLU N . 15459 1 662 . 1 1 56 56 VAL H H 1 7.883 0.003 . 1 . . . . 74 VAL HN . 15459 1 663 . 1 1 56 56 VAL HA H 1 4.252 0.007 . 1 . . . . 74 VAL HA . 15459 1 664 . 1 1 56 56 VAL HB H 1 2.054 0.008 . 1 . . . . 74 VAL HB . 15459 1 665 . 1 1 56 56 VAL HG11 H 1 0.846 0.009 . 2 . . . . 74 VAL HG1 . 15459 1 666 . 1 1 56 56 VAL HG12 H 1 0.846 0.009 . 2 . . . . 74 VAL HG1 . 15459 1 667 . 1 1 56 56 VAL HG13 H 1 0.846 0.009 . 2 . . . . 74 VAL HG1 . 15459 1 668 . 1 1 56 56 VAL CA C 13 60.241 0.055 . 1 . . . . 74 VAL CA . 15459 1 669 . 1 1 56 56 VAL CB C 13 32.48 0.067 . 1 . . . . 74 VAL CB . 15459 1 670 . 1 1 56 56 VAL CG1 C 13 21.378 0.058 . 2 . . . . 74 VAL CG1 . 15459 1 671 . 1 1 56 56 VAL N N 15 122.097 0.045 . 1 . . . . 74 VAL N . 15459 1 672 . 1 1 57 57 PRO HA H 1 4.658 0.003 . 1 . . . . 75 PRO HA . 15459 1 673 . 1 1 57 57 PRO HB2 H 1 2.583 0.004 . 2 . . . . 75 PRO HB2 . 15459 1 674 . 1 1 57 57 PRO HB3 H 1 2.091 0.005 . 2 . . . . 75 PRO HB3 . 15459 1 675 . 1 1 57 57 PRO HD2 H 1 4.152 0.006 . 2 . . . . 75 PRO HD2 . 15459 1 676 . 1 1 57 57 PRO HD3 H 1 3.424 0.009 . 2 . . . . 75 PRO HD3 . 15459 1 677 . 1 1 57 57 PRO HG2 H 1 2.161 0.008 . 2 . . . . 75 PRO HG2 . 15459 1 678 . 1 1 57 57 PRO HG3 H 1 2.082 0.009 . 2 . . . . 75 PRO HG3 . 15459 1 679 . 1 1 57 57 PRO C C 13 177.615 0.2 . 1 . . . . 75 PRO C . 15459 1 680 . 1 1 57 57 PRO CA C 13 62.921 0.053 . 1 . . . . 75 PRO CA . 15459 1 681 . 1 1 57 57 PRO CB C 13 33.233 0.057 . 1 . . . . 75 PRO CB . 15459 1 682 . 1 1 57 57 PRO CD C 13 51.436 0.053 . 1 . . . . 75 PRO CD . 15459 1 683 . 1 1 57 57 PRO CG C 13 27.866 0.053 . 1 . . . . 75 PRO CG . 15459 1 684 . 1 1 58 58 TYR H H 1 9.043 0.005 . 1 . . . . 76 TYR HN . 15459 1 685 . 1 1 58 58 TYR HA H 1 3.928 0.005 . 1 . . . . 76 TYR HA . 15459 1 686 . 1 1 58 58 TYR HB2 H 1 3.36 0.005 . 2 . . . . 76 TYR HB2 . 15459 1 687 . 1 1 58 58 TYR HB3 H 1 2.672 0.009 . 2 . . . . 76 TYR HB3 . 15459 1 688 . 1 1 58 58 TYR HD1 H 1 6.641 0.007 . 3 . . . . 76 TYR HD1 . 15459 1 689 . 1 1 58 58 TYR HD2 H 1 6.641 0.007 . 3 . . . . 76 TYR HD2 . 15459 1 690 . 1 1 58 58 TYR HE1 H 1 6.421 0.011 . 3 . . . . 76 TYR HE1 . 15459 1 691 . 1 1 58 58 TYR HE2 H 1 6.421 0.011 . 3 . . . . 76 TYR HE2 . 15459 1 692 . 1 1 58 58 TYR C C 13 176.899 0.2 . 1 . . . . 76 TYR C . 15459 1 693 . 1 1 58 58 TYR CA C 13 61.538 0.086 . 1 . . . . 76 TYR CA . 15459 1 694 . 1 1 58 58 TYR CB C 13 39.05 0.054 . 1 . . . . 76 TYR CB . 15459 1 695 . 1 1 58 58 TYR CD1 C 13 132.171 0.2 . 1 . . . . 76 TYR CD# . 15459 1 696 . 1 1 58 58 TYR CD2 C 13 132.171 0.2 . 1 . . . . 76 TYR CD# . 15459 1 697 . 1 1 58 58 TYR CE1 C 13 118.264 0.2 . 1 . . . . 76 TYR CE# . 15459 1 698 . 1 1 58 58 TYR CE2 C 13 118.264 0.2 . 1 . . . . 76 TYR CE# . 15459 1 699 . 1 1 58 58 TYR N N 15 124.24 0.039 . 1 . . . . 76 TYR N . 15459 1 700 . 1 1 59 59 GLU H H 1 9.683 0.008 . 1 . . . . 77 GLU HN . 15459 1 701 . 1 1 59 59 GLU HA H 1 3.562 0.011 . 1 . . . . 77 GLU HA . 15459 1 702 . 1 1 59 59 GLU HB2 H 1 1.98 0.008 . 1 . . . . 77 GLU HB2 . 15459 1 703 . 1 1 59 59 GLU HB3 H 1 1.98 0.008 . 1 . . . . 77 GLU HB3 . 15459 1 704 . 1 1 59 59 GLU HG2 H 1 2.432 0.009 . 2 . . . . 77 GLU HG2 . 15459 1 705 . 1 1 59 59 GLU HG3 H 1 2.205 0.007 . 2 . . . . 77 GLU HG3 . 15459 1 706 . 1 1 59 59 GLU C C 13 179.137 0.2 . 1 . . . . 77 GLU C . 15459 1 707 . 1 1 59 59 GLU CA C 13 60.367 0.065 . 1 . . . . 77 GLU CA . 15459 1 708 . 1 1 59 59 GLU CB C 13 28.797 0.129 . 1 . . . . 77 GLU CB . 15459 1 709 . 1 1 59 59 GLU CG C 13 37.187 0.07 . 1 . . . . 77 GLU CG . 15459 1 710 . 1 1 59 59 GLU N N 15 116.589 0.043 . 1 . . . . 77 GLU N . 15459 1 711 . 1 1 60 60 GLU H H 1 7.695 0.007 . 1 . . . . 78 GLU HN . 15459 1 712 . 1 1 60 60 GLU HA H 1 4.182 0.008 . 1 . . . . 78 GLU HA . 15459 1 713 . 1 1 60 60 GLU HB2 H 1 2.241 0.02 . 2 . . . . 78 GLU HB2 . 15459 1 714 . 1 1 60 60 GLU HB3 H 1 2.027 0.009 . 2 . . . . 78 GLU HB3 . 15459 1 715 . 1 1 60 60 GLU HG2 H 1 2.239 0.011 . 1 . . . . 78 GLU HG2 . 15459 1 716 . 1 1 60 60 GLU HG3 H 1 2.239 0.011 . 1 . . . . 78 GLU HG3 . 15459 1 717 . 1 1 60 60 GLU C C 13 178.697 0.2 . 1 . . . . 78 GLU C . 15459 1 718 . 1 1 60 60 GLU CA C 13 57.746 0.057 . 1 . . . . 78 GLU CA . 15459 1 719 . 1 1 60 60 GLU CB C 13 29.231 0.109 . 1 . . . . 78 GLU CB . 15459 1 720 . 1 1 60 60 GLU CG C 13 36.825 0.084 . 1 . . . . 78 GLU CG . 15459 1 721 . 1 1 60 60 GLU N N 15 117.003 0.042 . 1 . . . . 78 GLU N . 15459 1 722 . 1 1 61 61 VAL H H 1 7.597 0.005 . 1 . . . . 79 VAL HN . 15459 1 723 . 1 1 61 61 VAL HA H 1 3.645 0.008 . 1 . . . . 79 VAL HA . 15459 1 724 . 1 1 61 61 VAL HB H 1 2.167 0.007 . 1 . . . . 79 VAL HB . 15459 1 725 . 1 1 61 61 VAL HG11 H 1 0.906 0.013 . 1 . . . . 79 VAL HG1 . 15459 1 726 . 1 1 61 61 VAL HG12 H 1 0.906 0.013 . 1 . . . . 79 VAL HG1 . 15459 1 727 . 1 1 61 61 VAL HG13 H 1 0.906 0.013 . 1 . . . . 79 VAL HG1 . 15459 1 728 . 1 1 61 61 VAL HG21 H 1 0.867 0.004 . 1 . . . . 79 VAL HG2 . 15459 1 729 . 1 1 61 61 VAL HG22 H 1 0.867 0.004 . 1 . . . . 79 VAL HG2 . 15459 1 730 . 1 1 61 61 VAL HG23 H 1 0.867 0.004 . 1 . . . . 79 VAL HG2 . 15459 1 731 . 1 1 61 61 VAL C C 13 177.444 0.2 . 1 . . . . 79 VAL C . 15459 1 732 . 1 1 61 61 VAL CA C 13 66.675 0.15 . 1 . . . . 79 VAL CA . 15459 1 733 . 1 1 61 61 VAL CB C 13 30.784 0.131 . 1 . . . . 79 VAL CB . 15459 1 734 . 1 1 61 61 VAL CG1 C 13 23.072 0.023 . 1 . . . . 79 VAL CG1 . 15459 1 735 . 1 1 61 61 VAL CG2 C 13 22.794 0.013 . 1 . . . . 79 VAL CG2 . 15459 1 736 . 1 1 61 61 VAL N N 15 122.226 0.038 . 1 . . . . 79 VAL N . 15459 1 737 . 1 1 62 62 ILE H H 1 7.427 0.005 . 1 . . . . 80 ILE HN . 15459 1 738 . 1 1 62 62 ILE HA H 1 3.424 0.006 . 1 . . . . 80 ILE HA . 15459 1 739 . 1 1 62 62 ILE HB H 1 1.678 0.006 . 1 . . . . 80 ILE HB . 15459 1 740 . 1 1 62 62 ILE HD11 H 1 0.468 0.009 . 1 . . . . 80 ILE HD1 . 15459 1 741 . 1 1 62 62 ILE HD12 H 1 0.468 0.009 . 1 . . . . 80 ILE HD1 . 15459 1 742 . 1 1 62 62 ILE HD13 H 1 0.468 0.009 . 1 . . . . 80 ILE HD1 . 15459 1 743 . 1 1 62 62 ILE HG12 H 1 0.951 0.013 . 2 . . . . 80 ILE HG12 . 15459 1 744 . 1 1 62 62 ILE HG13 H 1 0.639 0.015 . 2 . . . . 80 ILE HG13 . 15459 1 745 . 1 1 62 62 ILE HG21 H 1 0.715 0.011 . 1 . . . . 80 ILE HG2 . 15459 1 746 . 1 1 62 62 ILE HG22 H 1 0.715 0.011 . 1 . . . . 80 ILE HG2 . 15459 1 747 . 1 1 62 62 ILE HG23 H 1 0.715 0.011 . 1 . . . . 80 ILE HG2 . 15459 1 748 . 1 1 62 62 ILE C C 13 178.065 0.2 . 1 . . . . 80 ILE C . 15459 1 749 . 1 1 62 62 ILE CA C 13 64.092 0.076 . 1 . . . . 80 ILE CA . 15459 1 750 . 1 1 62 62 ILE CB C 13 36.486 0.072 . 1 . . . . 80 ILE CB . 15459 1 751 . 1 1 62 62 ILE CD1 C 13 11.416 0.033 . 1 . . . . 80 ILE CD1 . 15459 1 752 . 1 1 62 62 ILE CG1 C 13 27.747 0.089 . 1 . . . . 80 ILE CG1 . 15459 1 753 . 1 1 62 62 ILE CG2 C 13 16.901 0.061 . 1 . . . . 80 ILE CG2 . 15459 1 754 . 1 1 62 62 ILE N N 15 119.298 0.023 . 1 . . . . 80 ILE N . 15459 1 755 . 1 1 63 63 LYS H H 1 7.462 0.007 . 1 . . . . 81 LYS HN . 15459 1 756 . 1 1 63 63 LYS HA H 1 3.967 0.009 . 1 . . . . 81 LYS HA . 15459 1 757 . 1 1 63 63 LYS HB2 H 1 1.937 0.008 . 1 . . . . 81 LYS HB2 . 15459 1 758 . 1 1 63 63 LYS HB3 H 1 1.937 0.008 . 1 . . . . 81 LYS HB3 . 15459 1 759 . 1 1 63 63 LYS HD2 H 1 1.748 0.011 . 1 . . . . 81 LYS HD2 . 15459 1 760 . 1 1 63 63 LYS HD3 H 1 1.748 0.011 . 1 . . . . 81 LYS HD3 . 15459 1 761 . 1 1 63 63 LYS HE2 H 1 2.909 0.007 . 1 . . . . 81 LYS HE2 . 15459 1 762 . 1 1 63 63 LYS HE3 H 1 2.909 0.007 . 1 . . . . 81 LYS HE3 . 15459 1 763 . 1 1 63 63 LYS HG2 H 1 1.576 0.008 . 2 . . . . 81 LYS HG2 . 15459 1 764 . 1 1 63 63 LYS HG3 H 1 1.324 0.009 . 2 . . . . 81 LYS HG3 . 15459 1 765 . 1 1 63 63 LYS C C 13 178.3 0.2 . 1 . . . . 81 LYS C . 15459 1 766 . 1 1 63 63 LYS CA C 13 59.963 0.038 . 1 . . . . 81 LYS CA . 15459 1 767 . 1 1 63 63 LYS CB C 13 32.246 0.043 . 1 . . . . 81 LYS CB . 15459 1 768 . 1 1 63 63 LYS CD C 13 29.675 0.031 . 1 . . . . 81 LYS CD . 15459 1 769 . 1 1 63 63 LYS CE C 13 42.21 0.058 . 1 . . . . 81 LYS CE . 15459 1 770 . 1 1 63 63 LYS CG C 13 25.537 0.07 . 1 . . . . 81 LYS CG . 15459 1 771 . 1 1 63 63 LYS N N 15 118.841 0.056 . 1 . . . . 81 LYS N . 15459 1 772 . 1 1 64 64 ALA H H 1 7.459 0.007 . 1 . . . . 82 ALA HN . 15459 1 773 . 1 1 64 64 ALA HA H 1 4.041 0.005 . 1 . . . . 82 ALA HA . 15459 1 774 . 1 1 64 64 ALA HB1 H 1 1.575 0.005 . 1 . . . . 82 ALA HB . 15459 1 775 . 1 1 64 64 ALA HB2 H 1 1.575 0.005 . 1 . . . . 82 ALA HB . 15459 1 776 . 1 1 64 64 ALA HB3 H 1 1.575 0.005 . 1 . . . . 82 ALA HB . 15459 1 777 . 1 1 64 64 ALA C C 13 178.506 0.2 . 1 . . . . 82 ALA C . 15459 1 778 . 1 1 64 64 ALA CA C 13 55.219 0.091 . 1 . . . . 82 ALA CA . 15459 1 779 . 1 1 64 64 ALA CB C 13 18.617 0.09 . 1 . . . . 82 ALA CB . 15459 1 780 . 1 1 64 64 ALA N N 15 121.469 0.025 . 1 . . . . 82 ALA N . 15459 1 781 . 1 1 65 65 LEU H H 1 7.723 0.01 . 1 . . . . 83 LEU HN . 15459 1 782 . 1 1 65 65 LEU HA H 1 4.043 0.005 . 1 . . . . 83 LEU HA . 15459 1 783 . 1 1 65 65 LEU HB2 H 1 1.857 0.011 . 2 . . . . 83 LEU HB2 . 15459 1 784 . 1 1 65 65 LEU HB3 H 1 1.695 0.009 . 2 . . . . 83 LEU HB3 . 15459 1 785 . 1 1 65 65 LEU HD11 H 1 0.883 0.012 . 2 . . . . 83 LEU HD1 . 15459 1 786 . 1 1 65 65 LEU HD12 H 1 0.883 0.012 . 2 . . . . 83 LEU HD1 . 15459 1 787 . 1 1 65 65 LEU HD13 H 1 0.883 0.012 . 2 . . . . 83 LEU HD1 . 15459 1 788 . 1 1 65 65 LEU HD21 H 1 0.763 0.006 . 2 . . . . 83 LEU HD2 . 15459 1 789 . 1 1 65 65 LEU HD22 H 1 0.763 0.006 . 2 . . . . 83 LEU HD2 . 15459 1 790 . 1 1 65 65 LEU HD23 H 1 0.763 0.006 . 2 . . . . 83 LEU HD2 . 15459 1 791 . 1 1 65 65 LEU HG H 1 1.779 0.003 . 1 . . . . 83 LEU HG . 15459 1 792 . 1 1 65 65 LEU C C 13 179.235 0.2 . 1 . . . . 83 LEU C . 15459 1 793 . 1 1 65 65 LEU CA C 13 58.259 0.084 . 1 . . . . 83 LEU CA . 15459 1 794 . 1 1 65 65 LEU CB C 13 41.594 0.054 . 1 . . . . 83 LEU CB . 15459 1 795 . 1 1 65 65 LEU CD1 C 13 24.774 0.123 . 2 . . . . 83 LEU CD1 . 15459 1 796 . 1 1 65 65 LEU CD2 C 13 25.457 0.029 . 2 . . . . 83 LEU CD2 . 15459 1 797 . 1 1 65 65 LEU CG C 13 27.584 0.034 . 1 . . . . 83 LEU CG . 15459 1 798 . 1 1 65 65 LEU N N 15 117.644 0.024 . 1 . . . . 83 LEU N . 15459 1 799 . 1 1 66 66 ASN H H 1 8.585 0.007 . 1 . . . . 84 ASN HN . 15459 1 800 . 1 1 66 66 ASN HA H 1 4.526 0.006 . 1 . . . . 84 ASN HA . 15459 1 801 . 1 1 66 66 ASN HB2 H 1 2.88 0.009 . 1 . . . . 84 ASN HB2 . 15459 1 802 . 1 1 66 66 ASN HB3 H 1 2.88 0.009 . 1 . . . . 84 ASN HB3 . 15459 1 803 . 1 1 66 66 ASN HD21 H 1 7.627 0.007 . 2 . . . . 84 ASN HD21 . 15459 1 804 . 1 1 66 66 ASN HD22 H 1 6.855 0.013 . 2 . . . . 84 ASN HD22 . 15459 1 805 . 1 1 66 66 ASN C C 13 177.527 0.2 . 1 . . . . 84 ASN C . 15459 1 806 . 1 1 66 66 ASN CA C 13 56.255 0.08 . 1 . . . . 84 ASN CA . 15459 1 807 . 1 1 66 66 ASN CB C 13 38.402 0.048 . 1 . . . . 84 ASN CB . 15459 1 808 . 1 1 66 66 ASN N N 15 118.312 0.047 . 1 . . . . 84 ASN N . 15459 1 809 . 1 1 66 66 ASN ND2 N 15 112.311 0.109 . 1 . . . . 84 ASN ND2 . 15459 1 810 . 1 1 67 67 LEU H H 1 8.144 0.006 . 1 . . . . 85 LEU HN . 15459 1 811 . 1 1 67 67 LEU HA H 1 3.945 0.009 . 1 . . . . 85 LEU HA . 15459 1 812 . 1 1 67 67 LEU HB2 H 1 1.979 0.009 . 2 . . . . 85 LEU HB2 . 15459 1 813 . 1 1 67 67 LEU HB3 H 1 1.339 0.006 . 2 . . . . 85 LEU HB3 . 15459 1 814 . 1 1 67 67 LEU HD21 H 1 0.576 0.021 . 2 . . . . 85 LEU HD2 . 15459 1 815 . 1 1 67 67 LEU HD22 H 1 0.576 0.021 . 2 . . . . 85 LEU HD2 . 15459 1 816 . 1 1 67 67 LEU HD23 H 1 0.576 0.021 . 2 . . . . 85 LEU HD2 . 15459 1 817 . 1 1 67 67 LEU HG H 1 1.896 0.008 . 1 . . . . 85 LEU HG . 15459 1 818 . 1 1 67 67 LEU C C 13 180.018 0.2 . 1 . . . . 85 LEU C . 15459 1 819 . 1 1 67 67 LEU CA C 13 58.465 0.056 . 1 . . . . 85 LEU CA . 15459 1 820 . 1 1 67 67 LEU CB C 13 41.133 0.088 . 1 . . . . 85 LEU CB . 15459 1 821 . 1 1 67 67 LEU CD1 C 13 22.92 0.2 . 2 . . . . 85 LEU CD1 . 15459 1 822 . 1 1 67 67 LEU CD2 C 13 25.468 0.067 . 2 . . . . 85 LEU CD2 . 15459 1 823 . 1 1 67 67 LEU CG C 13 26.386 0.025 . 1 . . . . 85 LEU CG . 15459 1 824 . 1 1 67 67 LEU N N 15 121.062 0.033 . 1 . . . . 85 LEU N . 15459 1 825 . 1 1 68 68 LEU H H 1 7.277 0.006 . 1 . . . . 86 LEU HN . 15459 1 826 . 1 1 68 68 LEU HA H 1 3.763 0.006 . 1 . . . . 86 LEU HA . 15459 1 827 . 1 1 68 68 LEU HB2 H 1 2.109 0.006 . 2 . . . . 86 LEU HB2 . 15459 1 828 . 1 1 68 68 LEU HB3 H 1 0.919 0.01 . 2 . . . . 86 LEU HB3 . 15459 1 829 . 1 1 68 68 LEU HD11 H 1 0.743 0.006 . 1 . . . . 86 LEU HD1 . 15459 1 830 . 1 1 68 68 LEU HD12 H 1 0.743 0.006 . 1 . . . . 86 LEU HD1 . 15459 1 831 . 1 1 68 68 LEU HD13 H 1 0.743 0.006 . 1 . . . . 86 LEU HD1 . 15459 1 832 . 1 1 68 68 LEU HD21 H 1 0.464 0.018 . 1 . . . . 86 LEU HD2 . 15459 1 833 . 1 1 68 68 LEU HD22 H 1 0.464 0.018 . 1 . . . . 86 LEU HD2 . 15459 1 834 . 1 1 68 68 LEU HD23 H 1 0.464 0.018 . 1 . . . . 86 LEU HD2 . 15459 1 835 . 1 1 68 68 LEU HG H 1 1.787 0.005 . 1 . . . . 86 LEU HG . 15459 1 836 . 1 1 68 68 LEU C C 13 178.939 0.2 . 1 . . . . 86 LEU C . 15459 1 837 . 1 1 68 68 LEU CA C 13 57.437 0.069 . 1 . . . . 86 LEU CA . 15459 1 838 . 1 1 68 68 LEU CB C 13 40.883 0.071 . 1 . . . . 86 LEU CB . 15459 1 839 . 1 1 68 68 LEU CD1 C 13 26.181 0.091 . 1 . . . . 86 LEU CD1 . 15459 1 840 . 1 1 68 68 LEU CD2 C 13 21.9 0.042 . 1 . . . . 86 LEU CD2 . 15459 1 841 . 1 1 68 68 LEU CG C 13 26.213 0.038 . 1 . . . . 86 LEU CG . 15459 1 842 . 1 1 68 68 LEU N N 15 116.65 0.023 . 1 . . . . 86 LEU N . 15459 1 843 . 1 1 69 69 HIS H H 1 7.89 0.008 . 1 . . . . 87 HIS HN . 15459 1 844 . 1 1 69 69 HIS HA H 1 4.775 0.013 . 1 . . . . 87 HIS HA . 15459 1 845 . 1 1 69 69 HIS HB2 H 1 3.185 0.005 . 2 . . . . 87 HIS HB2 . 15459 1 846 . 1 1 69 69 HIS HB3 H 1 2.453 0.006 . 2 . . . . 87 HIS HB3 . 15459 1 847 . 1 1 69 69 HIS HD2 H 1 6.866 0.004 . 1 . . . . 87 HIS HD2 . 15459 1 848 . 1 1 69 69 HIS C C 13 179.06 0.2 . 1 . . . . 87 HIS C . 15459 1 849 . 1 1 69 69 HIS CA C 13 57.521 0.098 . 1 . . . . 87 HIS CA . 15459 1 850 . 1 1 69 69 HIS CB C 13 28.621 0.102 . 1 . . . . 87 HIS CB . 15459 1 851 . 1 1 69 69 HIS N N 15 119.843 0.043 . 1 . . . . 87 HIS N . 15459 1 852 . 1 1 70 70 LEU H H 1 8.847 0.004 . 1 . . . . 88 LEU HN . 15459 1 853 . 1 1 70 70 LEU HA H 1 3.771 0.004 . 1 . . . . 88 LEU HA . 15459 1 854 . 1 1 70 70 LEU HB2 H 1 1.736 0.013 . 2 . . . . 88 LEU HB2 . 15459 1 855 . 1 1 70 70 LEU HB3 H 1 1.439 0.006 . 2 . . . . 88 LEU HB3 . 15459 1 856 . 1 1 70 70 LEU HD11 H 1 0.805 0.01 . 2 . . . . 88 LEU HD1 . 15459 1 857 . 1 1 70 70 LEU HD12 H 1 0.805 0.01 . 2 . . . . 88 LEU HD1 . 15459 1 858 . 1 1 70 70 LEU HD13 H 1 0.805 0.01 . 2 . . . . 88 LEU HD1 . 15459 1 859 . 1 1 70 70 LEU HD21 H 1 0.772 0.005 . 2 . . . . 88 LEU HD2 . 15459 1 860 . 1 1 70 70 LEU HD22 H 1 0.772 0.005 . 2 . . . . 88 LEU HD2 . 15459 1 861 . 1 1 70 70 LEU HD23 H 1 0.772 0.005 . 2 . . . . 88 LEU HD2 . 15459 1 862 . 1 1 70 70 LEU HG H 1 1.71 0.009 . 1 . . . . 88 LEU HG . 15459 1 863 . 1 1 70 70 LEU C C 13 178.408 0.2 . 1 . . . . 88 LEU C . 15459 1 864 . 1 1 70 70 LEU CA C 13 57.393 0.044 . 1 . . . . 88 LEU CA . 15459 1 865 . 1 1 70 70 LEU CB C 13 41.357 0.07 . 1 . . . . 88 LEU CB . 15459 1 866 . 1 1 70 70 LEU CD1 C 13 25.253 0.096 . 2 . . . . 88 LEU CD1 . 15459 1 867 . 1 1 70 70 LEU CD2 C 13 22.805 0.098 . 2 . . . . 88 LEU CD2 . 15459 1 868 . 1 1 70 70 LEU CG C 13 26.929 0.051 . 1 . . . . 88 LEU CG . 15459 1 869 . 1 1 70 70 LEU N N 15 122.77 0.029 . 1 . . . . 88 LEU N . 15459 1 870 . 1 1 71 71 ALA H H 1 7.307 0.003 . 1 . . . . 89 ALA HN . 15459 1 871 . 1 1 71 71 ALA HA H 1 4.201 0.004 . 1 . . . . 89 ALA HA . 15459 1 872 . 1 1 71 71 ALA HB1 H 1 1.319 0.006 . 1 . . . . 89 ALA HB . 15459 1 873 . 1 1 71 71 ALA HB2 H 1 1.319 0.006 . 1 . . . . 89 ALA HB . 15459 1 874 . 1 1 71 71 ALA HB3 H 1 1.319 0.006 . 1 . . . . 89 ALA HB . 15459 1 875 . 1 1 71 71 ALA C C 13 176.832 0.2 . 1 . . . . 89 ALA C . 15459 1 876 . 1 1 71 71 ALA CA C 13 52.139 0.075 . 1 . . . . 89 ALA CA . 15459 1 877 . 1 1 71 71 ALA CB C 13 19.173 0.059 . 1 . . . . 89 ALA CB . 15459 1 878 . 1 1 71 71 ALA N N 15 117.998 0.03 . 1 . . . . 89 ALA N . 15459 1 879 . 1 1 72 72 GLY H H 1 7.523 0.008 . 1 . . . . 90 GLY HN . 15459 1 880 . 1 1 72 72 GLY HA2 H 1 3.791 0.002 . 2 . . . . 90 GLY HA2 . 15459 1 881 . 1 1 72 72 GLY HA3 H 1 3.585 0.01 . 2 . . . . 90 GLY HA3 . 15459 1 882 . 1 1 72 72 GLY C C 13 173.507 0.2 . 1 . . . . 90 GLY C . 15459 1 883 . 1 1 72 72 GLY CA C 13 45.18 0.051 . 1 . . . . 90 GLY CA . 15459 1 884 . 1 1 72 72 GLY N N 15 105.721 0.045 . 1 . . . . 90 GLY N . 15459 1 885 . 1 1 73 73 ILE H H 1 7.342 0.004 . 1 . . . . 91 ILE HN . 15459 1 886 . 1 1 73 73 ILE HA H 1 2.531 0.004 . 1 . . . . 91 ILE HA . 15459 1 887 . 1 1 73 73 ILE HB H 1 1.156 0.007 . 1 . . . . 91 ILE HB . 15459 1 888 . 1 1 73 73 ILE HD11 H 1 0.151 0.011 . 1 . . . . 91 ILE HD1 . 15459 1 889 . 1 1 73 73 ILE HD12 H 1 0.151 0.011 . 1 . . . . 91 ILE HD1 . 15459 1 890 . 1 1 73 73 ILE HD13 H 1 0.151 0.011 . 1 . . . . 91 ILE HD1 . 15459 1 891 . 1 1 73 73 ILE HG12 H 1 0.813 0.007 . 2 . . . . 91 ILE HG12 . 15459 1 892 . 1 1 73 73 ILE HG13 H 1 0.101 0.015 . 2 . . . . 91 ILE HG13 . 15459 1 893 . 1 1 73 73 ILE HG21 H 1 0.045 0.009 . 1 . . . . 91 ILE HG2 . 15459 1 894 . 1 1 73 73 ILE HG22 H 1 0.045 0.009 . 1 . . . . 91 ILE HG2 . 15459 1 895 . 1 1 73 73 ILE HG23 H 1 0.045 0.009 . 1 . . . . 91 ILE HG2 . 15459 1 896 . 1 1 73 73 ILE C C 13 174.6 0.2 . 1 . . . . 91 ILE C . 15459 1 897 . 1 1 73 73 ILE CA C 13 62.359 0.076 . 1 . . . . 91 ILE CA . 15459 1 898 . 1 1 73 73 ILE CB C 13 38.523 0.052 . 1 . . . . 91 ILE CB . 15459 1 899 . 1 1 73 73 ILE CD1 C 13 14.132 0.036 . 1 . . . . 91 ILE CD1 . 15459 1 900 . 1 1 73 73 ILE CG1 C 13 28.295 0.086 . 1 . . . . 91 ILE CG1 . 15459 1 901 . 1 1 73 73 ILE CG2 C 13 17.038 0.025 . 1 . . . . 91 ILE CG2 . 15459 1 902 . 1 1 73 73 ILE N N 15 119.4 0.021 . 1 . . . . 91 ILE N . 15459 1 903 . 1 1 74 74 LYS H H 1 6.596 0.005 . 1 . . . . 92 LYS HN . 15459 1 904 . 1 1 74 74 LYS HA H 1 4.244 0.003 . 1 . . . . 92 LYS HA . 15459 1 905 . 1 1 74 74 LYS HB2 H 1 1.624 0.018 . 2 . . . . 92 LYS HB2 . 15459 1 906 . 1 1 74 74 LYS HB3 H 1 1.482 0.019 . 2 . . . . 92 LYS HB3 . 15459 1 907 . 1 1 74 74 LYS HD2 H 1 1.974 0.014 . 2 . . . . 92 LYS HD2 . 15459 1 908 . 1 1 74 74 LYS HD3 H 1 1.808 0.005 . 2 . . . . 92 LYS HD3 . 15459 1 909 . 1 1 74 74 LYS HE2 H 1 3.099 0.01 . 2 . . . . 92 LYS HE2 . 15459 1 910 . 1 1 74 74 LYS HE3 H 1 2.973 0.005 . 2 . . . . 92 LYS HE3 . 15459 1 911 . 1 1 74 74 LYS CA C 13 56.127 0.032 . 1 . . . . 92 LYS CA . 15459 1 912 . 1 1 74 74 LYS CB C 13 35.19 0.051 . 1 . . . . 92 LYS CB . 15459 1 913 . 1 1 74 74 LYS CD C 13 28.012 0.2 . 1 . . . . 92 LYS CD . 15459 1 914 . 1 1 74 74 LYS CE C 13 42.135 0.038 . 1 . . . . 92 LYS CE . 15459 1 915 . 1 1 74 74 LYS N N 15 121.711 0.031 . 1 . . . . 92 LYS N . 15459 1 stop_ save_