data_27056 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27056 _Entry.Title ; C. elegans SAS-5 N-term backbone assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-24 _Entry.Accession_date 2017-03-24 _Entry.Last_release_date 2017-03-24 _Entry.Original_release_date 2017-03-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kacper Rogala . B. . . 27056 2 Ioannis Vakonakis . . . . 27056 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27056 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 27056 '15N chemical shifts' 107 27056 '1H chemical shifts' 430 27056 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-10 2017-03-24 update BMRB 'update entry citation' 27056 1 . . 2018-02-02 2017-03-24 original author 'original release' 27056 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27056 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29367435 _Citation.Full_citation . _Citation.Title ; Interaction between the C. elegans centriolar protein SAS-5 and microtubules facilitates organelle assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Biol. Cell' _Citation.Journal_name_full 'Molecular biology of the cell' _Citation.Journal_volume 29 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1939-4586 _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 722 _Citation.Page_last 735 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sarah Bianchi S. . . . 27056 1 2 Kacper Rogala K. B. . . 27056 1 3 Nicola Dynes N. J. . . 27056 1 4 Manuel Hilbert M. . . . 27056 1 5 Sebastian Leidel S. A. . . 27056 1 6 Michel Steinmetz M. O. . . 27056 1 7 Pierre Gonczy P. . . . 27056 1 8 Ioannis Vakonakis I. . . . 27056 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27056 _Assembly.ID 1 _Assembly.Name sas-5N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 sas-5N 1 $sas-5N A . yes native no no . . . 27056 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP Q20010 . . . . 'Protein sequence' . 27056 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sas-5N _Entity.Sf_category entity _Entity.Sf_framecode sas-5N _Entity.Entry_ID 27056 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sas-5N _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 ; GPNNYDDLPCSIYFKKPTVQ EFVDQPRVFEDSEVPAFQEV LQLPQERTKPPVPSTQPIVA AVEVAKKKSCLSAPKPRKEP PSHPALRQKTVAFGKTVNVS QTVEGTSRNSKKVLASTMSA QNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1 and 2 are cloning artifacts. Numbering in assignments corresponds to uniprot Q20010 except for the cloning artefact. ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment SAS-5N _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 . 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 yes UNP Q20010 . sas-5 . . . . . . . . . . . . . . 27056 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Centriole assembly' 27056 1 'Structural protein' 27056 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 0 GLY . 27056 1 2 1 PRO . 27056 1 3 2 ASN . 27056 1 4 3 ASN . 27056 1 5 4 TYR . 27056 1 6 5 ASP . 27056 1 7 6 ASP . 27056 1 8 7 LEU . 27056 1 9 8 PRO . 27056 1 10 9 CYS . 27056 1 11 10 SER . 27056 1 12 11 ILE . 27056 1 13 12 TYR . 27056 1 14 13 PHE . 27056 1 15 14 LYS . 27056 1 16 15 LYS . 27056 1 17 16 PRO . 27056 1 18 17 THR . 27056 1 19 18 VAL . 27056 1 20 19 GLN . 27056 1 21 20 GLU . 27056 1 22 21 PHE . 27056 1 23 22 VAL . 27056 1 24 23 ASP . 27056 1 25 24 GLN . 27056 1 26 25 PRO . 27056 1 27 26 ARG . 27056 1 28 27 VAL . 27056 1 29 28 PHE . 27056 1 30 29 GLU . 27056 1 31 30 ASP . 27056 1 32 31 SER . 27056 1 33 32 GLU . 27056 1 34 33 VAL . 27056 1 35 34 PRO . 27056 1 36 35 ALA . 27056 1 37 36 PHE . 27056 1 38 37 GLN . 27056 1 39 38 GLU . 27056 1 40 39 VAL . 27056 1 41 40 LEU . 27056 1 42 41 GLN . 27056 1 43 42 LEU . 27056 1 44 43 PRO . 27056 1 45 44 GLN . 27056 1 46 45 GLU . 27056 1 47 46 ARG . 27056 1 48 47 THR . 27056 1 49 48 LYS . 27056 1 50 49 PRO . 27056 1 51 50 PRO . 27056 1 52 51 VAL . 27056 1 53 52 PRO . 27056 1 54 53 SER . 27056 1 55 54 THR . 27056 1 56 55 GLN . 27056 1 57 56 PRO . 27056 1 58 57 ILE . 27056 1 59 58 VAL . 27056 1 60 59 ALA . 27056 1 61 60 ALA . 27056 1 62 61 VAL . 27056 1 63 62 GLU . 27056 1 64 63 VAL . 27056 1 65 64 ALA . 27056 1 66 65 LYS . 27056 1 67 66 LYS . 27056 1 68 67 LYS . 27056 1 69 68 SER . 27056 1 70 69 CYS . 27056 1 71 70 LEU . 27056 1 72 71 SER . 27056 1 73 72 ALA . 27056 1 74 73 PRO . 27056 1 75 74 LYS . 27056 1 76 75 PRO . 27056 1 77 76 ARG . 27056 1 78 77 LYS . 27056 1 79 78 GLU . 27056 1 80 79 PRO . 27056 1 81 80 PRO . 27056 1 82 81 SER . 27056 1 83 82 HIS . 27056 1 84 83 PRO . 27056 1 85 84 ALA . 27056 1 86 85 LEU . 27056 1 87 86 ARG . 27056 1 88 87 GLN . 27056 1 89 88 LYS . 27056 1 90 89 THR . 27056 1 91 90 VAL . 27056 1 92 91 ALA . 27056 1 93 92 PHE . 27056 1 94 93 GLY . 27056 1 95 94 LYS . 27056 1 96 95 THR . 27056 1 97 96 VAL . 27056 1 98 97 ASN . 27056 1 99 98 VAL . 27056 1 100 99 SER . 27056 1 101 100 GLN . 27056 1 102 101 THR . 27056 1 103 102 VAL . 27056 1 104 103 GLU . 27056 1 105 104 GLY . 27056 1 106 105 THR . 27056 1 107 106 SER . 27056 1 108 107 ARG . 27056 1 109 108 ASN . 27056 1 110 109 SER . 27056 1 111 110 LYS . 27056 1 112 111 LYS . 27056 1 113 112 VAL . 27056 1 114 113 LEU . 27056 1 115 114 ALA . 27056 1 116 115 SER . 27056 1 117 116 THR . 27056 1 118 117 MET . 27056 1 119 118 SER . 27056 1 120 119 ALA . 27056 1 121 120 GLN . 27056 1 122 121 ASN . 27056 1 123 122 THR . 27056 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 27056 1 . PRO 2 2 27056 1 . ASN 3 3 27056 1 . ASN 4 4 27056 1 . TYR 5 5 27056 1 . ASP 6 6 27056 1 . ASP 7 7 27056 1 . LEU 8 8 27056 1 . PRO 9 9 27056 1 . CYS 10 10 27056 1 . SER 11 11 27056 1 . ILE 12 12 27056 1 . TYR 13 13 27056 1 . PHE 14 14 27056 1 . LYS 15 15 27056 1 . LYS 16 16 27056 1 . PRO 17 17 27056 1 . THR 18 18 27056 1 . VAL 19 19 27056 1 . GLN 20 20 27056 1 . GLU 21 21 27056 1 . PHE 22 22 27056 1 . VAL 23 23 27056 1 . ASP 24 24 27056 1 . GLN 25 25 27056 1 . PRO 26 26 27056 1 . ARG 27 27 27056 1 . VAL 28 28 27056 1 . PHE 29 29 27056 1 . GLU 30 30 27056 1 . ASP 31 31 27056 1 . SER 32 32 27056 1 . GLU 33 33 27056 1 . VAL 34 34 27056 1 . PRO 35 35 27056 1 . ALA 36 36 27056 1 . PHE 37 37 27056 1 . GLN 38 38 27056 1 . GLU 39 39 27056 1 . VAL 40 40 27056 1 . LEU 41 41 27056 1 . GLN 42 42 27056 1 . LEU 43 43 27056 1 . PRO 44 44 27056 1 . GLN 45 45 27056 1 . GLU 46 46 27056 1 . ARG 47 47 27056 1 . THR 48 48 27056 1 . LYS 49 49 27056 1 . PRO 50 50 27056 1 . PRO 51 51 27056 1 . VAL 52 52 27056 1 . PRO 53 53 27056 1 . SER 54 54 27056 1 . THR 55 55 27056 1 . GLN 56 56 27056 1 . PRO 57 57 27056 1 . ILE 58 58 27056 1 . VAL 59 59 27056 1 . ALA 60 60 27056 1 . ALA 61 61 27056 1 . VAL 62 62 27056 1 . GLU 63 63 27056 1 . VAL 64 64 27056 1 . ALA 65 65 27056 1 . LYS 66 66 27056 1 . LYS 67 67 27056 1 . LYS 68 68 27056 1 . SER 69 69 27056 1 . CYS 70 70 27056 1 . LEU 71 71 27056 1 . SER 72 72 27056 1 . ALA 73 73 27056 1 . PRO 74 74 27056 1 . LYS 75 75 27056 1 . PRO 76 76 27056 1 . ARG 77 77 27056 1 . LYS 78 78 27056 1 . GLU 79 79 27056 1 . PRO 80 80 27056 1 . PRO 81 81 27056 1 . SER 82 82 27056 1 . HIS 83 83 27056 1 . PRO 84 84 27056 1 . ALA 85 85 27056 1 . LEU 86 86 27056 1 . ARG 87 87 27056 1 . GLN 88 88 27056 1 . LYS 89 89 27056 1 . THR 90 90 27056 1 . VAL 91 91 27056 1 . ALA 92 92 27056 1 . PHE 93 93 27056 1 . GLY 94 94 27056 1 . LYS 95 95 27056 1 . THR 96 96 27056 1 . VAL 97 97 27056 1 . ASN 98 98 27056 1 . VAL 99 99 27056 1 . SER 100 100 27056 1 . GLN 101 101 27056 1 . THR 102 102 27056 1 . VAL 103 103 27056 1 . GLU 104 104 27056 1 . GLY 105 105 27056 1 . THR 106 106 27056 1 . SER 107 107 27056 1 . ARG 108 108 27056 1 . ASN 109 109 27056 1 . SER 110 110 27056 1 . LYS 111 111 27056 1 . LYS 112 112 27056 1 . VAL 113 113 27056 1 . LEU 114 114 27056 1 . ALA 115 115 27056 1 . SER 116 116 27056 1 . THR 117 117 27056 1 . MET 118 118 27056 1 . SER 119 119 27056 1 . ALA 120 120 27056 1 . GLN 121 121 27056 1 . ASN 122 122 27056 1 . THR 123 123 27056 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 27056 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $sas-5N . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . sas-5 . 27056 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 27056 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $sas-5N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) Rosetta2 . . . . pFLOAT . . 'Custom vector based on commercial pET30a' 27056 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27056 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sas-5N '[U-100% 13C; U-100% 15N]' . . 1 $sas-5N . . 0.5 . . mM . . . . 27056 1 2 'Potassium PIPES (K-PIPES)' 'natural abundance' . . . . . . 80 . . mM . . . . 27056 1 3 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 27056 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 27056 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27056 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27056 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 27056 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.16 . M 27056 1 pH 6.8 . pH 27056 1 pressure 1 . atm 27056 1 temperature 273 . K 27056 1 stop_ save_ ############################ # Computer software used # ############################ save_Omega_spectrometer_software _Software.Sf_category software _Software.Sf_framecode Omega_spectrometer_software _Software.Entry_ID 27056 _Software.ID 1 _Software.Type . _Software.Name Omega_spectrometer_software _Software.Version 'vBeta 6.0.3b2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GE . . 27056 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27056 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27056 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27056 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27056 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27056 _Software.ID 3 _Software.Type . _Software.Name CCPN_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27056 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27056 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27056 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Oxford 750 supercon magnet, home-built control electronics, operated through Omega computer and software' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 27056 _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 Home-built OMEGA . 750 'Oxford 750 supercon magnet, home-built control electronics, operated through Omega computer and software' . . 27056 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 27056 _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 . . . . . . . . . . . . . . . . 27056 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27056 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27056 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27056 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27056 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27056 1 7 '3D HNHAHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27056 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 27056 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27056 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27056 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27056 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 27056 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Digital resolution of the data' _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' . . . 27056 1 2 '2D 1H-13C HSQC' . . . 27056 1 3 '3D CBCA(CO)NH' . . . 27056 1 4 '3D HNCACB' . . . 27056 1 5 '3D HNCO' . . . 27056 1 6 '3D HBHA(CO)NH' . . . 27056 1 7 '3D HNHAHB' . . . 27056 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Omega_spectrometer_software . . 27056 1 2 $NMRPipe . . 27056 1 3 $CCPN_Analysis . . 27056 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.Ambiguity_set_ID _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 2 2 PRO HA H 1 4.444 0.000 . 1 . . . . . 1 PRO HA . 27056 1 2 . 1 1 2 2 PRO HB2 H 1 2.289 0.000 . 1 . . . . . 1 PRO HB2 . 27056 1 3 . 1 1 2 2 PRO HB3 H 1 1.940 0.000 . 1 . . . . . 1 PRO HB3 . 27056 1 4 . 1 1 2 2 PRO C C 13 176.642 0.000 . 1 . . . . . 1 PRO C . 27056 1 5 . 1 1 2 2 PRO CA C 13 63.250 0.000 . 1 . . . . . 1 PRO CA . 27056 1 6 . 1 1 2 2 PRO CB C 13 32.281 0.000 . 1 . . . . . 1 PRO CB . 27056 1 7 . 1 1 3 3 ASN H H 1 8.668 0.003 . 1 . . . . . 2 ASN HN . 27056 1 8 . 1 1 3 3 ASN HA H 1 4.651 0.006 . 1 . . . . . 2 ASN HA . 27056 1 9 . 1 1 3 3 ASN HB2 H 1 2.670 0.002 . 1 . . . . . 2 ASN HB2 . 27056 1 10 . 1 1 3 3 ASN C C 13 174.663 0.005 . 1 . . . . . 2 ASN C . 27056 1 11 . 1 1 3 3 ASN CA C 13 53.140 0.017 . 1 . . . . . 2 ASN CA . 27056 1 12 . 1 1 3 3 ASN CB C 13 38.859 0.004 . 1 . . . . . 2 ASN CB . 27056 1 13 . 1 1 3 3 ASN N N 15 118.392 0.014 . 1 . . . . . 2 ASN N . 27056 1 14 . 1 1 4 4 ASN H H 1 8.356 0.002 . 1 . . . . . 3 ASN HN . 27056 1 15 . 1 1 4 4 ASN HA H 1 4.661 0.005 . 1 . . . . . 3 ASN HA . 27056 1 16 . 1 1 4 4 ASN HB2 H 1 2.686 0.006 . 1 . . . . . 3 ASN HB2 . 27056 1 17 . 1 1 4 4 ASN HB3 H 1 2.759 0.003 . 1 . . . . . 3 ASN HB3 . 27056 1 18 . 1 1 4 4 ASN C C 13 175.050 0.022 . 1 . . . . . 3 ASN C . 27056 1 19 . 1 1 4 4 ASN CA C 13 53.298 0.029 . 1 . . . . . 3 ASN CA . 27056 1 20 . 1 1 4 4 ASN CB C 13 38.944 0.026 . 1 . . . . . 3 ASN CB . 27056 1 21 . 1 1 4 4 ASN N N 15 118.816 0.015 . 1 . . . . . 3 ASN N . 27056 1 22 . 1 1 5 5 TYR H H 1 8.248 0.004 . 1 . . . . . 4 TYR HN . 27056 1 23 . 1 1 5 5 TYR HA H 1 4.546 0.006 . 1 . . . . . 4 TYR HA . 27056 1 24 . 1 1 5 5 TYR HB2 H 1 3.119 0.001 . 1 . . . . . 4 TYR HB2 . 27056 1 25 . 1 1 5 5 TYR HB3 H 1 2.934 0.002 . 1 . . . . . 4 TYR HB3 . 27056 1 26 . 1 1 5 5 TYR C C 13 175.830 0.014 . 1 . . . . . 4 TYR C . 27056 1 27 . 1 1 5 5 TYR CA C 13 58.077 0.021 . 1 . . . . . 4 TYR CA . 27056 1 28 . 1 1 5 5 TYR CB C 13 38.389 0.021 . 1 . . . . . 4 TYR CB . 27056 1 29 . 1 1 5 5 TYR N N 15 120.407 0.012 . 1 . . . . . 4 TYR N . 27056 1 30 . 1 1 6 6 ASP H H 1 8.274 0.005 . 1 . . . . . 5 ASP HN . 27056 1 31 . 1 1 6 6 ASP HA H 1 4.565 0.005 . 1 . . . . . 5 ASP HA . 27056 1 32 . 1 1 6 6 ASP HB2 H 1 2.592 0.000 . 1 . . . . . 5 ASP HB2 . 27056 1 33 . 1 1 6 6 ASP HB3 H 1 2.663 0.000 . 1 . . . . . 5 ASP HB3 . 27056 1 34 . 1 1 6 6 ASP C C 13 175.796 0.003 . 1 . . . . . 5 ASP C . 27056 1 35 . 1 1 6 6 ASP CA C 13 54.690 0.018 . 1 . . . . . 5 ASP CA . 27056 1 36 . 1 1 6 6 ASP CB C 13 41.086 0.007 . 1 . . . . . 5 ASP CB . 27056 1 37 . 1 1 6 6 ASP N N 15 120.860 0.008 . 1 . . . . . 5 ASP N . 27056 1 38 . 1 1 7 7 ASP H H 1 8.194 0.003 . 1 . . . . . 6 ASP HN . 27056 1 39 . 1 1 7 7 ASP HA H 1 4.605 0.005 . 1 . . . . . 6 ASP HA . 27056 1 40 . 1 1 7 7 ASP HB2 H 1 2.700 0.003 . 1 . . . . . 6 ASP HB2 . 27056 1 41 . 1 1 7 7 ASP HB3 H 1 2.592 0.000 . 1 . . . . . 6 ASP HB3 . 27056 1 42 . 1 1 7 7 ASP C C 13 175.934 0.006 . 1 . . . . . 6 ASP C . 27056 1 43 . 1 1 7 7 ASP CA C 13 54.191 0.022 . 1 . . . . . 6 ASP CA . 27056 1 44 . 1 1 7 7 ASP CB C 13 41.024 0.028 . 1 . . . . . 6 ASP CB . 27056 1 45 . 1 1 7 7 ASP N N 15 119.715 0.010 . 1 . . . . . 6 ASP N . 27056 1 46 . 1 1 8 8 LEU H H 1 8.122 0.002 . 1 . . . . . 7 LEU HN . 27056 1 47 . 1 1 8 8 LEU HA H 1 4.600 0.001 . 1 . . . . . 7 LEU HA . 27056 1 48 . 1 1 8 8 LEU HB2 H 1 1.666 0.000 . 1 . . . . . 7 LEU HB2 . 27056 1 49 . 1 1 8 8 LEU HB3 H 1 1.548 0.000 . 1 . . . . . 7 LEU HB3 . 27056 1 50 . 1 1 8 8 LEU C C 13 175.474 0.000 . 1 . . . . . 7 LEU C . 27056 1 51 . 1 1 8 8 LEU CA C 13 53.233 0.000 . 1 . . . . . 7 LEU CA . 27056 1 52 . 1 1 8 8 LEU CB C 13 41.764 0.000 . 1 . . . . . 7 LEU CB . 27056 1 53 . 1 1 8 8 LEU N N 15 123.193 0.009 . 1 . . . . . 7 LEU N . 27056 1 54 . 1 1 9 9 PRO HA H 1 4.360 0.006 . 1 . . . . . 8 PRO HA . 27056 1 55 . 1 1 9 9 PRO HB2 H 1 2.273 0.000 . 1 . . . . . 8 PRO HB2 . 27056 1 56 . 1 1 9 9 PRO HB3 H 1 1.902 0.000 . 1 . . . . . 8 PRO HB3 . 27056 1 57 . 1 1 9 9 PRO C C 13 176.992 0.000 . 1 . . . . . 8 PRO C . 27056 1 58 . 1 1 9 9 PRO CA C 13 63.337 0.007 . 1 . . . . . 8 PRO CA . 27056 1 59 . 1 1 9 9 PRO CB C 13 31.980 0.000 . 1 . . . . . 8 PRO CB . 27056 1 60 . 1 1 10 10 CYS H H 1 8.440 0.002 . 1 . . . . . 9 CYS HN . 27056 1 61 . 1 1 10 10 CYS HA H 1 4.474 0.007 . 1 . . . . . 9 CYS HA . 27056 1 62 . 1 1 10 10 CYS HB2 H 1 2.948 0.002 . 1 . . . . . 9 CYS HB2 . 27056 1 63 . 1 1 10 10 CYS C C 13 174.845 0.007 . 1 . . . . . 9 CYS C . 27056 1 64 . 1 1 10 10 CYS CA C 13 58.550 0.030 . 1 . . . . . 9 CYS CA . 27056 1 65 . 1 1 10 10 CYS CB C 13 27.982 0.000 . 1 . . . . . 9 CYS CB . 27056 1 66 . 1 1 10 10 CYS N N 15 118.801 0.020 . 1 . . . . . 9 CYS N . 27056 1 67 . 1 1 11 11 SER H H 1 8.431 0.001 . 1 . . . . . 10 SER HN . 27056 1 68 . 1 1 11 11 SER HA H 1 4.414 0.005 . 1 . . . . . 10 SER HA . 27056 1 69 . 1 1 11 11 SER HB2 H 1 3.822 0.000 . 1 . . . . . 10 SER HB2 . 27056 1 70 . 1 1 11 11 SER HB3 H 1 3.931 0.002 . 1 . . . . . 10 SER HB3 . 27056 1 71 . 1 1 11 11 SER C C 13 174.936 0.005 . 1 . . . . . 10 SER C . 27056 1 72 . 1 1 11 11 SER CA C 13 58.506 0.012 . 1 . . . . . 10 SER CA . 27056 1 73 . 1 1 11 11 SER CB C 13 63.841 0.000 . 1 . . . . . 10 SER CB . 27056 1 74 . 1 1 11 11 SER N N 15 118.616 0.010 . 1 . . . . . 10 SER N . 27056 1 75 . 1 1 12 12 ILE H H 1 8.085 0.002 . 1 . . . . . 11 ILE HN . 27056 1 76 . 1 1 12 12 ILE HA H 1 4.105 0.006 . 1 . . . . . 11 ILE HA . 27056 1 77 . 1 1 12 12 ILE HB H 1 1.747 0.000 . 1 . . . . . 11 ILE HB . 27056 1 78 . 1 1 12 12 ILE C C 13 175.907 0.014 . 1 . . . . . 11 ILE C . 27056 1 79 . 1 1 12 12 ILE CA C 13 61.841 0.009 . 1 . . . . . 11 ILE CA . 27056 1 80 . 1 1 12 12 ILE CB C 13 38.514 0.007 . 1 . . . . . 11 ILE CB . 27056 1 81 . 1 1 12 12 ILE N N 15 121.836 0.017 . 1 . . . . . 11 ILE N . 27056 1 82 . 1 1 13 13 TYR H H 1 8.079 0.011 . 1 . . . . . 12 TYR HN . 27056 1 83 . 1 1 13 13 TYR HA H 1 4.531 0.006 . 1 . . . . . 12 TYR HA . 27056 1 84 . 1 1 13 13 TYR HB2 H 1 2.785 0.001 . 1 . . . . . 12 TYR HB2 . 27056 1 85 . 1 1 13 13 TYR HB3 H 1 2.999 0.001 . 1 . . . . . 12 TYR HB3 . 27056 1 86 . 1 1 13 13 TYR C C 13 175.261 0.011 . 1 . . . . . 12 TYR C . 27056 1 87 . 1 1 13 13 TYR CA C 13 57.806 0.016 . 1 . . . . . 12 TYR CA . 27056 1 88 . 1 1 13 13 TYR CB C 13 38.722 0.024 . 1 . . . . . 12 TYR CB . 27056 1 89 . 1 1 13 13 TYR N N 15 122.719 0.030 . 1 . . . . . 12 TYR N . 27056 1 90 . 1 1 14 14 PHE H H 1 7.940 0.002 . 1 . . . . . 13 PHE HN . 27056 1 91 . 1 1 14 14 PHE HA H 1 4.543 0.005 . 1 . . . . . 13 PHE HA . 27056 1 92 . 1 1 14 14 PHE HB2 H 1 3.038 0.000 . 1 . . . . . 13 PHE HB2 . 27056 1 93 . 1 1 14 14 PHE C C 13 174.831 0.005 . 1 . . . . . 13 PHE C . 27056 1 94 . 1 1 14 14 PHE CA C 13 57.588 0.021 . 1 . . . . . 13 PHE CA . 27056 1 95 . 1 1 14 14 PHE CB C 13 39.881 0.011 . 1 . . . . . 13 PHE CB . 27056 1 96 . 1 1 14 14 PHE N N 15 122.087 0.017 . 1 . . . . . 13 PHE N . 27056 1 97 . 1 1 15 15 LYS H H 1 8.119 0.003 . 1 . . . . . 14 LYS HN . 27056 1 98 . 1 1 15 15 LYS HA H 1 4.215 0.006 . 1 . . . . . 14 LYS HA . 27056 1 99 . 1 1 15 15 LYS HB2 H 1 1.705 0.000 . 1 . . . . . 14 LYS HB2 . 27056 1 100 . 1 1 15 15 LYS HB3 H 1 1.652 0.000 . 1 . . . . . 14 LYS HB3 . 27056 1 101 . 1 1 15 15 LYS C C 13 175.543 0.006 . 1 . . . . . 14 LYS C . 27056 1 102 . 1 1 15 15 LYS CA C 13 55.698 0.016 . 1 . . . . . 14 LYS CA . 27056 1 103 . 1 1 15 15 LYS CB C 13 33.230 0.005 . 1 . . . . . 14 LYS CB . 27056 1 104 . 1 1 15 15 LYS N N 15 124.451 0.020 . 1 . . . . . 14 LYS N . 27056 1 105 . 1 1 16 16 LYS H H 1 8.391 0.001 . 1 . . . . . 15 LYS HN . 27056 1 106 . 1 1 16 16 LYS HA H 1 4.444 0.006 . 1 . . . . . 15 LYS HA . 27056 1 107 . 1 1 16 16 LYS HB2 H 1 1.825 0.000 . 1 . . . . . 15 LYS HB2 . 27056 1 108 . 1 1 16 16 LYS HB3 H 1 1.712 0.000 . 1 . . . . . 15 LYS HB3 . 27056 1 109 . 1 1 16 16 LYS C C 13 174.625 0.000 . 1 . . . . . 15 LYS C . 27056 1 110 . 1 1 16 16 LYS CA C 13 54.496 0.002 . 1 . . . . . 15 LYS CA . 27056 1 111 . 1 1 16 16 LYS CB C 13 32.413 0.000 . 1 . . . . . 15 LYS CB . 27056 1 112 . 1 1 16 16 LYS N N 15 125.438 0.020 . 1 . . . . . 15 LYS N . 27056 1 113 . 1 1 17 17 PRO HA H 1 4.486 0.008 . 1 . . . . . 16 PRO HA . 27056 1 114 . 1 1 17 17 PRO HB2 H 1 2.311 0.000 . 1 . . . . . 16 PRO HB2 . 27056 1 115 . 1 1 17 17 PRO HB3 H 1 1.898 0.000 . 1 . . . . . 16 PRO HB3 . 27056 1 116 . 1 1 17 17 PRO C C 13 177.021 0.010 . 1 . . . . . 16 PRO C . 27056 1 117 . 1 1 17 17 PRO CA C 13 63.092 0.022 . 1 . . . . . 16 PRO CA . 27056 1 118 . 1 1 17 17 PRO CB C 13 32.196 0.000 . 1 . . . . . 16 PRO CB . 27056 1 119 . 1 1 18 18 THR H H 1 8.431 0.002 . 1 . . . . . 17 THR HN . 27056 1 120 . 1 1 18 18 THR HA H 1 4.312 0.005 . 1 . . . . . 17 THR HA . 27056 1 121 . 1 1 18 18 THR HB H 1 4.177 0.000 . 1 . . . . . 17 THR HB . 27056 1 122 . 1 1 18 18 THR C C 13 174.643 0.008 . 1 . . . . . 17 THR C . 27056 1 123 . 1 1 18 18 THR CA C 13 61.992 0.019 . 1 . . . . . 17 THR CA . 27056 1 124 . 1 1 18 18 THR CB C 13 69.962 0.017 . 1 . . . . . 17 THR CB . 27056 1 125 . 1 1 18 18 THR N N 15 115.982 0.047 . 1 . . . . . 17 THR N . 27056 1 126 . 1 1 19 19 VAL H H 1 8.286 0.001 . 1 . . . . . 18 VAL HN . 27056 1 127 . 1 1 19 19 VAL HA H 1 4.118 0.006 . 1 . . . . . 18 VAL HA . 27056 1 128 . 1 1 19 19 VAL HB H 1 2.057 0.000 . 1 . . . . . 18 VAL HB . 27056 1 129 . 1 1 19 19 VAL C C 13 175.917 0.013 . 1 . . . . . 18 VAL C . 27056 1 130 . 1 1 19 19 VAL CA C 13 62.261 0.014 . 1 . . . . . 18 VAL CA . 27056 1 131 . 1 1 19 19 VAL CB C 13 32.920 0.001 . 1 . . . . . 18 VAL CB . 27056 1 132 . 1 1 19 19 VAL N N 15 123.083 0.007 . 1 . . . . . 18 VAL N . 27056 1 133 . 1 1 20 20 GLN H H 1 8.539 0.001 . 1 . . . . . 19 GLN HN . 27056 1 134 . 1 1 20 20 GLN HA H 1 4.277 0.006 . 1 . . . . . 19 GLN HA . 27056 1 135 . 1 1 20 20 GLN HB2 H 1 1.927 0.000 . 1 . . . . . 19 GLN HB2 . 27056 1 136 . 1 1 20 20 GLN HB3 H 1 1.980 0.000 . 1 . . . . . 19 GLN HB3 . 27056 1 137 . 1 1 20 20 GLN C C 13 175.537 0.007 . 1 . . . . . 19 GLN C . 27056 1 138 . 1 1 20 20 GLN CA C 13 55.801 0.021 . 1 . . . . . 19 GLN CA . 27056 1 139 . 1 1 20 20 GLN CB C 13 29.574 0.000 . 1 . . . . . 19 GLN CB . 27056 1 140 . 1 1 20 20 GLN N N 15 124.727 0.014 . 1 . . . . . 19 GLN N . 27056 1 141 . 1 1 21 21 GLU H H 1 8.465 0.003 . 1 . . . . . 20 GLU HN . 27056 1 142 . 1 1 21 21 GLU HA H 1 4.207 0.005 . 1 . . . . . 20 GLU HA . 27056 1 143 . 1 1 21 21 GLU HB2 H 1 1.873 0.000 . 1 . . . . . 20 GLU HB2 . 27056 1 144 . 1 1 21 21 GLU C C 13 175.968 0.007 . 1 . . . . . 20 GLU C . 27056 1 145 . 1 1 21 21 GLU CA C 13 56.583 0.023 . 1 . . . . . 20 GLU CA . 27056 1 146 . 1 1 21 21 GLU CB C 13 30.562 0.038 . 1 . . . . . 20 GLU CB . 27056 1 147 . 1 1 21 21 GLU N N 15 123.037 0.019 . 1 . . . . . 20 GLU N . 27056 1 148 . 1 1 22 22 PHE H H 1 8.422 0.001 . 1 . . . . . 21 PHE HN . 27056 1 149 . 1 1 22 22 PHE HA H 1 4.658 0.006 . 1 . . . . . 21 PHE HA . 27056 1 150 . 1 1 22 22 PHE HB2 H 1 3.128 0.000 . 1 . . . . . 21 PHE HB2 . 27056 1 151 . 1 1 22 22 PHE HB3 H 1 3.009 0.003 . 1 . . . . . 21 PHE HB3 . 27056 1 152 . 1 1 22 22 PHE C C 13 175.616 0.033 . 1 . . . . . 21 PHE C . 27056 1 153 . 1 1 22 22 PHE CA C 13 57.660 0.012 . 1 . . . . . 21 PHE CA . 27056 1 154 . 1 1 22 22 PHE CB C 13 39.653 0.001 . 1 . . . . . 21 PHE CB . 27056 1 155 . 1 1 22 22 PHE N N 15 121.305 0.015 . 1 . . . . . 21 PHE N . 27056 1 156 . 1 1 23 23 VAL H H 1 8.141 0.001 . 1 . . . . . 22 VAL HN . 27056 1 157 . 1 1 23 23 VAL HA H 1 4.051 0.006 . 1 . . . . . 22 VAL HA . 27056 1 158 . 1 1 23 23 VAL HB H 1 2.002 0.002 . 1 . . . . . 22 VAL HB . 27056 1 159 . 1 1 23 23 VAL C C 13 175.429 0.009 . 1 . . . . . 22 VAL C . 27056 1 160 . 1 1 23 23 VAL CA C 13 62.203 0.010 . 1 . . . . . 22 VAL CA . 27056 1 161 . 1 1 23 23 VAL CB C 13 33.026 0.006 . 1 . . . . . 22 VAL CB . 27056 1 162 . 1 1 23 23 VAL N N 15 122.574 0.021 . 1 . . . . . 22 VAL N . 27056 1 163 . 1 1 24 24 ASP H H 1 8.418 0.000 . 1 . . . . . 23 ASP HN . 27056 1 164 . 1 1 24 24 ASP HA H 1 4.551 0.006 . 1 . . . . . 23 ASP HA . 27056 1 165 . 1 1 24 24 ASP HB2 H 1 2.571 0.002 . 1 . . . . . 23 ASP HB2 . 27056 1 166 . 1 1 24 24 ASP HB3 H 1 2.686 0.002 . 1 . . . . . 23 ASP HB3 . 27056 1 167 . 1 1 24 24 ASP C C 13 175.691 0.002 . 1 . . . . . 23 ASP C . 27056 1 168 . 1 1 24 24 ASP CA C 13 54.303 0.021 . 1 . . . . . 23 ASP CA . 27056 1 169 . 1 1 24 24 ASP CB C 13 41.191 0.007 . 1 . . . . . 23 ASP CB . 27056 1 170 . 1 1 24 24 ASP N N 15 123.978 0.050 . 1 . . . . . 23 ASP N . 27056 1 171 . 1 1 25 25 GLN H H 1 8.232 0.002 . 1 . . . . . 24 GLN HN . 27056 1 172 . 1 1 25 25 GLN HA H 1 4.592 0.009 . 1 . . . . . 24 GLN HA . 27056 1 173 . 1 1 25 25 GLN HB2 H 1 1.912 0.000 . 1 . . . . . 24 GLN HB2 . 27056 1 174 . 1 1 25 25 GLN HB3 H 1 2.064 0.000 . 1 . . . . . 24 GLN HB3 . 27056 1 175 . 1 1 25 25 GLN C C 13 173.690 0.000 . 1 . . . . . 24 GLN C . 27056 1 176 . 1 1 25 25 GLN CA C 13 53.529 0.020 . 1 . . . . . 24 GLN CA . 27056 1 177 . 1 1 25 25 GLN CB C 13 29.121 0.000 . 1 . . . . . 24 GLN CB . 27056 1 178 . 1 1 25 25 GLN N N 15 121.498 0.014 . 1 . . . . . 24 GLN N . 27056 1 179 . 1 1 26 26 PRO HA H 1 4.388 0.007 . 1 . . . . . 25 PRO HA . 27056 1 180 . 1 1 26 26 PRO HB2 H 1 2.274 0.000 . 1 . . . . . 25 PRO HB2 . 27056 1 181 . 1 1 26 26 PRO HB3 H 1 1.844 0.000 . 1 . . . . . 25 PRO HB3 . 27056 1 182 . 1 1 26 26 PRO C C 13 176.675 0.001 . 1 . . . . . 25 PRO C . 27056 1 183 . 1 1 26 26 PRO CA C 13 63.101 0.022 . 1 . . . . . 25 PRO CA . 27056 1 184 . 1 1 26 26 PRO CB C 13 32.144 0.000 . 1 . . . . . 25 PRO CB . 27056 1 185 . 1 1 27 27 ARG H H 1 8.514 0.001 . 1 . . . . . 26 ARG HN . 27056 1 186 . 1 1 27 27 ARG HA H 1 4.290 0.004 . 1 . . . . . 26 ARG HA . 27056 1 187 . 1 1 27 27 ARG HB2 H 1 1.694 0.000 . 1 . . . . . 26 ARG HB2 . 27056 1 188 . 1 1 27 27 ARG C C 13 176.032 0.012 . 1 . . . . . 26 ARG C . 27056 1 189 . 1 1 27 27 ARG CA C 13 55.880 0.012 . 1 . . . . . 26 ARG CA . 27056 1 190 . 1 1 27 27 ARG CB C 13 30.943 0.011 . 1 . . . . . 26 ARG CB . 27056 1 191 . 1 1 27 27 ARG N N 15 122.146 0.029 . 1 . . . . . 26 ARG N . 27056 1 192 . 1 1 28 28 VAL H H 1 8.236 0.001 . 1 . . . . . 27 VAL HN . 27056 1 193 . 1 1 28 28 VAL HA H 1 4.082 0.006 . 1 . . . . . 27 VAL HA . 27056 1 194 . 1 1 28 28 VAL HB H 1 1.970 0.001 . 1 . . . . . 27 VAL HB . 27056 1 195 . 1 1 28 28 VAL C C 13 175.757 0.007 . 1 . . . . . 27 VAL C . 27056 1 196 . 1 1 28 28 VAL CA C 13 62.037 0.013 . 1 . . . . . 27 VAL CA . 27056 1 197 . 1 1 28 28 VAL CB C 13 32.973 0.000 . 1 . . . . . 27 VAL CB . 27056 1 198 . 1 1 28 28 VAL N N 15 122.051 0.025 . 1 . . . . . 27 VAL N . 27056 1 199 . 1 1 29 29 PHE H H 1 8.524 0.001 . 1 . . . . . 28 PHE HN . 27056 1 200 . 1 1 29 29 PHE HA H 1 4.642 0.006 . 1 . . . . . 28 PHE HA . 27056 1 201 . 1 1 29 29 PHE HB2 H 1 3.118 0.000 . 1 . . . . . 28 PHE HB2 . 27056 1 202 . 1 1 29 29 PHE HB3 H 1 2.982 0.002 . 1 . . . . . 28 PHE HB3 . 27056 1 203 . 1 1 29 29 PHE C C 13 175.653 0.006 . 1 . . . . . 28 PHE C . 27056 1 204 . 1 1 29 29 PHE CA C 13 57.651 0.022 . 1 . . . . . 28 PHE CA . 27056 1 205 . 1 1 29 29 PHE CB C 13 39.862 0.001 . 1 . . . . . 28 PHE CB . 27056 1 206 . 1 1 29 29 PHE N N 15 124.625 0.021 . 1 . . . . . 28 PHE N . 27056 1 207 . 1 1 30 30 GLU H H 1 8.560 0.002 . 1 . . . . . 29 GLU HN . 27056 1 208 . 1 1 30 30 GLU HA H 1 4.272 0.006 . 1 . . . . . 29 GLU HA . 27056 1 209 . 1 1 30 30 GLU HB2 H 1 1.880 0.002 . 1 . . . . . 29 GLU HB2 . 27056 1 210 . 1 1 30 30 GLU HB3 H 1 2.029 0.002 . 1 . . . . . 29 GLU HB3 . 27056 1 211 . 1 1 30 30 GLU C C 13 175.972 0.006 . 1 . . . . . 29 GLU C . 27056 1 212 . 1 1 30 30 GLU CA C 13 56.416 0.003 . 1 . . . . . 29 GLU CA . 27056 1 213 . 1 1 30 30 GLU CB C 13 30.548 0.000 . 1 . . . . . 29 GLU CB . 27056 1 214 . 1 1 30 30 GLU N N 15 123.067 0.022 . 1 . . . . . 29 GLU N . 27056 1 215 . 1 1 31 31 ASP H H 1 8.468 0.001 . 1 . . . . . 30 ASP HN . 27056 1 216 . 1 1 31 31 ASP HA H 1 4.581 0.005 . 1 . . . . . 30 ASP HA . 27056 1 217 . 1 1 31 31 ASP HB2 H 1 2.623 0.002 . 1 . . . . . 30 ASP HB2 . 27056 1 218 . 1 1 31 31 ASP HB3 H 1 2.733 0.000 . 1 . . . . . 30 ASP HB3 . 27056 1 219 . 1 1 31 31 ASP C C 13 176.374 0.005 . 1 . . . . . 30 ASP C . 27056 1 220 . 1 1 31 31 ASP CA C 13 54.578 0.014 . 1 . . . . . 30 ASP CA . 27056 1 221 . 1 1 31 31 ASP CB C 13 41.142 0.013 . 1 . . . . . 30 ASP CB . 27056 1 222 . 1 1 31 31 ASP N N 15 121.952 0.019 . 1 . . . . . 30 ASP N . 27056 1 223 . 1 1 32 32 SER H H 1 8.298 0.002 . 1 . . . . . 31 SER HN . 27056 1 224 . 1 1 32 32 SER HA H 1 4.405 0.006 . 1 . . . . . 31 SER HA . 27056 1 225 . 1 1 32 32 SER HB2 H 1 3.874 0.030 . 1 . . . . . 31 SER HB2 . 27056 1 226 . 1 1 32 32 SER C C 13 174.518 0.010 . 1 . . . . . 31 SER C . 27056 1 227 . 1 1 32 32 SER CA C 13 58.602 0.028 . 1 . . . . . 31 SER CA . 27056 1 228 . 1 1 32 32 SER CB C 13 63.880 0.001 . 1 . . . . . 31 SER CB . 27056 1 229 . 1 1 32 32 SER N N 15 115.934 0.015 . 1 . . . . . 31 SER N . 27056 1 230 . 1 1 33 33 GLU H H 1 8.468 0.002 . 1 . . . . . 32 GLU HN . 27056 1 231 . 1 1 33 33 GLU HA H 1 4.308 0.005 . 1 . . . . . 32 GLU HA . 27056 1 232 . 1 1 33 33 GLU HB2 H 1 2.041 0.000 . 1 . . . . . 32 GLU HB2 . 27056 1 233 . 1 1 33 33 GLU HB3 H 1 1.953 0.000 . 1 . . . . . 32 GLU HB3 . 27056 1 234 . 1 1 33 33 GLU C C 13 176.307 0.001 . 1 . . . . . 32 GLU C . 27056 1 235 . 1 1 33 33 GLU CA C 13 56.417 0.014 . 1 . . . . . 32 GLU CA . 27056 1 236 . 1 1 33 33 GLU CB C 13 30.356 0.039 . 1 . . . . . 32 GLU CB . 27056 1 237 . 1 1 33 33 GLU N N 15 122.755 0.013 . 1 . . . . . 32 GLU N . 27056 1 238 . 1 1 34 34 VAL H H 1 8.243 0.001 . 1 . . . . . 33 VAL HN . 27056 1 239 . 1 1 34 34 VAL HA H 1 4.350 0.005 . 1 . . . . . 33 VAL HA . 27056 1 240 . 1 1 34 34 VAL HB H 1 2.051 0.000 . 1 . . . . . 33 VAL HB . 27056 1 241 . 1 1 34 34 VAL C C 13 174.415 0.000 . 1 . . . . . 33 VAL C . 27056 1 242 . 1 1 34 34 VAL CA C 13 60.018 0.008 . 1 . . . . . 33 VAL CA . 27056 1 243 . 1 1 34 34 VAL CB C 13 32.525 0.000 . 1 . . . . . 33 VAL CB . 27056 1 244 . 1 1 34 34 VAL N N 15 123.409 0.026 . 1 . . . . . 33 VAL N . 27056 1 245 . 1 1 35 35 PRO HA H 1 4.340 0.000 . 1 . . . . . 34 PRO HA . 27056 1 246 . 1 1 35 35 PRO HB2 H 1 2.242 0.000 . 1 . . . . . 34 PRO HB2 . 27056 1 247 . 1 1 35 35 PRO HB3 H 1 1.787 0.000 . 1 . . . . . 34 PRO HB3 . 27056 1 248 . 1 1 35 35 PRO C C 13 176.523 0.000 . 1 . . . . . 34 PRO C . 27056 1 249 . 1 1 35 35 PRO CA C 13 63.094 0.000 . 1 . . . . . 34 PRO CA . 27056 1 250 . 1 1 35 35 PRO CB C 13 32.175 0.000 . 1 . . . . . 34 PRO CB . 27056 1 251 . 1 1 36 36 ALA H H 1 8.444 0.002 . 1 . . . . . 35 ALA HN . 27056 1 252 . 1 1 36 36 ALA HA H 1 4.233 0.005 . 1 . . . . . 35 ALA HA . 27056 1 253 . 1 1 36 36 ALA HB1 H 1 1.322 0.000 . 1 . . . . . 35 ALA HB . 27056 1 254 . 1 1 36 36 ALA HB2 H 1 1.322 0.000 . 1 . . . . . 35 ALA HB . 27056 1 255 . 1 1 36 36 ALA HB3 H 1 1.322 0.000 . 1 . . . . . 35 ALA HB . 27056 1 256 . 1 1 36 36 ALA C C 13 177.611 0.000 . 1 . . . . . 35 ALA C . 27056 1 257 . 1 1 36 36 ALA CA C 13 52.453 0.000 . 1 . . . . . 35 ALA CA . 27056 1 258 . 1 1 36 36 ALA CB C 13 19.217 0.004 . 1 . . . . . 35 ALA CB . 27056 1 259 . 1 1 36 36 ALA N N 15 124.461 0.021 . 1 . . . . . 35 ALA N . 27056 1 260 . 1 1 37 37 PHE H H 1 8.253 0.001 . 1 . . . . . 36 PHE HN . 27056 1 261 . 1 1 37 37 PHE HA H 1 4.563 0.006 . 1 . . . . . 36 PHE HA . 27056 1 262 . 1 1 37 37 PHE HB2 H 1 3.072 0.002 . 1 . . . . . 36 PHE HB2 . 27056 1 263 . 1 1 37 37 PHE C C 13 175.448 0.008 . 1 . . . . . 36 PHE C . 27056 1 264 . 1 1 37 37 PHE CA C 13 57.783 0.014 . 1 . . . . . 36 PHE CA . 27056 1 265 . 1 1 37 37 PHE CB C 13 39.553 0.005 . 1 . . . . . 36 PHE CB . 27056 1 266 . 1 1 37 37 PHE N N 15 119.429 0.027 . 1 . . . . . 36 PHE N . 27056 1 267 . 1 1 38 38 GLN H H 1 8.192 0.004 . 1 . . . . . 37 GLN HN . 27056 1 268 . 1 1 38 38 GLN HA H 1 4.264 0.006 . 1 . . . . . 37 GLN HA . 27056 1 269 . 1 1 38 38 GLN HB2 H 1 1.987 0.003 . 1 . . . . . 37 GLN HB2 . 27056 1 270 . 1 1 38 38 GLN HB3 H 1 1.862 0.001 . 1 . . . . . 37 GLN HB3 . 27056 1 271 . 1 1 38 38 GLN C C 13 175.118 0.010 . 1 . . . . . 37 GLN C . 27056 1 272 . 1 1 38 38 GLN CA C 13 55.370 0.028 . 1 . . . . . 37 GLN CA . 27056 1 273 . 1 1 38 38 GLN CB C 13 29.922 0.013 . 1 . . . . . 37 GLN CB . 27056 1 274 . 1 1 38 38 GLN N N 15 122.817 0.032 . 1 . . . . . 37 GLN N . 27056 1 275 . 1 1 39 39 GLU H H 1 8.446 0.001 . 1 . . . . . 38 GLU HN . 27056 1 276 . 1 1 39 39 GLU HA H 1 4.209 0.005 . 1 . . . . . 38 GLU HA . 27056 1 277 . 1 1 39 39 GLU HB2 H 1 2.000 0.000 . 1 . . . . . 38 GLU HB2 . 27056 1 278 . 1 1 39 39 GLU HB3 H 1 1.927 0.000 . 1 . . . . . 38 GLU HB3 . 27056 1 279 . 1 1 39 39 GLU C C 13 176.397 0.010 . 1 . . . . . 38 GLU C . 27056 1 280 . 1 1 39 39 GLU CA C 13 56.660 0.022 . 1 . . . . . 38 GLU CA . 27056 1 281 . 1 1 39 39 GLU CB C 13 30.358 0.002 . 1 . . . . . 38 GLU CB . 27056 1 282 . 1 1 39 39 GLU N N 15 123.304 0.020 . 1 . . . . . 38 GLU N . 27056 1 283 . 1 1 40 40 VAL H H 1 8.372 0.000 . 1 . . . . . 39 VAL HN . 27056 1 284 . 1 1 40 40 VAL HA H 1 4.058 0.005 . 1 . . . . . 39 VAL HA . 27056 1 285 . 1 1 40 40 VAL HB H 1 2.046 0.000 . 1 . . . . . 39 VAL HB . 27056 1 286 . 1 1 40 40 VAL C C 13 176.081 0.001 . 1 . . . . . 39 VAL C . 27056 1 287 . 1 1 40 40 VAL CA C 13 62.438 0.009 . 1 . . . . . 39 VAL CA . 27056 1 288 . 1 1 40 40 VAL CB C 13 32.633 0.000 . 1 . . . . . 39 VAL CB . 27056 1 289 . 1 1 40 40 VAL N N 15 122.555 0.023 . 1 . . . . . 39 VAL N . 27056 1 290 . 1 1 41 41 LEU H H 1 8.404 0.001 . 1 . . . . . 40 LEU HN . 27056 1 291 . 1 1 41 41 LEU HA H 1 4.348 0.004 . 1 . . . . . 40 LEU HA . 27056 1 292 . 1 1 41 41 LEU HB2 H 1 1.627 0.000 . 1 . . . . . 40 LEU HB2 . 27056 1 293 . 1 1 41 41 LEU HB3 H 1 1.547 0.001 . 1 . . . . . 40 LEU HB3 . 27056 1 294 . 1 1 41 41 LEU C C 13 177.010 0.008 . 1 . . . . . 40 LEU C . 27056 1 295 . 1 1 41 41 LEU CA C 13 55.104 0.057 . 1 . . . . . 40 LEU CA . 27056 1 296 . 1 1 41 41 LEU CB C 13 42.372 0.006 . 1 . . . . . 40 LEU CB . 27056 1 297 . 1 1 41 41 LEU N N 15 126.676 0.030 . 1 . . . . . 40 LEU N . 27056 1 298 . 1 1 42 42 GLN H H 1 8.439 0.000 . 1 . . . . . 41 GLN HN . 27056 1 299 . 1 1 42 42 GLN HA H 1 4.350 0.006 . 1 . . . . . 41 GLN HA . 27056 1 300 . 1 1 42 42 GLN HB2 H 1 1.941 0.000 . 1 . . . . . 41 GLN HB2 . 27056 1 301 . 1 1 42 42 GLN HB3 H 1 2.060 0.001 . 1 . . . . . 41 GLN HB3 . 27056 1 302 . 1 1 42 42 GLN C C 13 175.579 0.004 . 1 . . . . . 41 GLN C . 27056 1 303 . 1 1 42 42 GLN CA C 13 55.288 0.023 . 1 . . . . . 41 GLN CA . 27056 1 304 . 1 1 42 42 GLN CB C 13 29.603 0.014 . 1 . . . . . 41 GLN CB . 27056 1 305 . 1 1 42 42 GLN N N 15 121.996 0.033 . 1 . . . . . 41 GLN N . 27056 1 306 . 1 1 43 43 LEU H H 1 8.476 0.001 . 1 . . . . . 42 LEU HN . 27056 1 307 . 1 1 43 43 LEU HA H 1 4.596 0.001 . 1 . . . . . 42 LEU HA . 27056 1 308 . 1 1 43 43 LEU HB2 H 1 1.557 0.000 . 1 . . . . . 42 LEU HB2 . 27056 1 309 . 1 1 43 43 LEU HB3 H 1 1.584 0.000 . 1 . . . . . 42 LEU HB3 . 27056 1 310 . 1 1 43 43 LEU C C 13 175.411 0.000 . 1 . . . . . 42 LEU C . 27056 1 311 . 1 1 43 43 LEU CA C 13 53.142 0.000 . 1 . . . . . 42 LEU CA . 27056 1 312 . 1 1 43 43 LEU CB C 13 41.451 0.000 . 1 . . . . . 42 LEU CB . 27056 1 313 . 1 1 43 43 LEU N N 15 125.630 0.021 . 1 . . . . . 42 LEU N . 27056 1 314 . 1 1 44 44 PRO HA H 1 4.393 0.000 . 1 . . . . . 43 PRO HA . 27056 1 315 . 1 1 44 44 PRO HB2 H 1 2.324 0.000 . 1 . . . . . 43 PRO HB2 . 27056 1 316 . 1 1 44 44 PRO HB3 H 1 1.914 0.000 . 1 . . . . . 43 PRO HB3 . 27056 1 317 . 1 1 44 44 PRO C C 13 177.176 0.000 . 1 . . . . . 43 PRO C . 27056 1 318 . 1 1 44 44 PRO CA C 13 63.354 0.000 . 1 . . . . . 43 PRO CA . 27056 1 319 . 1 1 44 44 PRO CB C 13 32.042 0.000 . 1 . . . . . 43 PRO CB . 27056 1 320 . 1 1 45 45 GLN H H 1 8.633 0.002 . 1 . . . . . 44 GLN HN . 27056 1 321 . 1 1 45 45 GLN HA H 1 4.283 0.005 . 1 . . . . . 44 GLN HA . 27056 1 322 . 1 1 45 45 GLN HB2 H 1 1.991 0.000 . 1 . . . . . 44 GLN HB2 . 27056 1 323 . 1 1 45 45 GLN HB3 H 1 2.086 0.000 . 1 . . . . . 44 GLN HB3 . 27056 1 324 . 1 1 45 45 GLN C C 13 176.249 0.003 . 1 . . . . . 44 GLN C . 27056 1 325 . 1 1 45 45 GLN CA C 13 55.995 0.023 . 1 . . . . . 44 GLN CA . 27056 1 326 . 1 1 45 45 GLN CB C 13 29.535 0.026 . 1 . . . . . 44 GLN CB . 27056 1 327 . 1 1 45 45 GLN N N 15 120.491 0.034 . 1 . . . . . 44 GLN N . 27056 1 328 . 1 1 46 46 GLU H H 1 8.556 0.000 . 1 . . . . . 45 GLU HN . 27056 1 329 . 1 1 46 46 GLU HA H 1 4.285 0.005 . 1 . . . . . 45 GLU HA . 27056 1 330 . 1 1 46 46 GLU HB2 H 1 1.964 0.000 . 1 . . . . . 45 GLU HB2 . 27056 1 331 . 1 1 46 46 GLU HB3 H 1 2.049 0.000 . 1 . . . . . 45 GLU HB3 . 27056 1 332 . 1 1 46 46 GLU C C 13 176.546 0.008 . 1 . . . . . 45 GLU C . 27056 1 333 . 1 1 46 46 GLU CA C 13 56.634 0.021 . 1 . . . . . 45 GLU CA . 27056 1 334 . 1 1 46 46 GLU CB C 13 30.265 0.012 . 1 . . . . . 45 GLU CB . 27056 1 335 . 1 1 46 46 GLU N N 15 122.343 0.011 . 1 . . . . . 45 GLU N . 27056 1 336 . 1 1 47 47 ARG H H 1 8.468 0.001 . 1 . . . . . 46 ARG HN . 27056 1 337 . 1 1 47 47 ARG HA H 1 4.394 0.005 . 1 . . . . . 46 ARG HA . 27056 1 338 . 1 1 47 47 ARG HB2 H 1 1.783 0.001 . 1 . . . . . 46 ARG HB2 . 27056 1 339 . 1 1 47 47 ARG HB3 H 1 1.901 0.003 . 1 . . . . . 46 ARG HB3 . 27056 1 340 . 1 1 47 47 ARG C C 13 176.521 0.004 . 1 . . . . . 46 ARG C . 27056 1 341 . 1 1 47 47 ARG CA C 13 56.173 0.019 . 1 . . . . . 46 ARG CA . 27056 1 342 . 1 1 47 47 ARG CB C 13 30.793 0.009 . 1 . . . . . 46 ARG CB . 27056 1 343 . 1 1 47 47 ARG N N 15 122.348 0.017 . 1 . . . . . 46 ARG N . 27056 1 344 . 1 1 48 48 THR H H 1 8.254 0.002 . 1 . . . . . 47 THR HN . 27056 1 345 . 1 1 48 48 THR HA H 1 4.287 0.005 . 1 . . . . . 47 THR HA . 27056 1 346 . 1 1 48 48 THR HB H 1 4.154 0.001 . 1 . . . . . 47 THR HB . 27056 1 347 . 1 1 48 48 THR C C 13 174.238 0.002 . 1 . . . . . 47 THR C . 27056 1 348 . 1 1 48 48 THR CA C 13 62.031 0.008 . 1 . . . . . 47 THR CA . 27056 1 349 . 1 1 48 48 THR CB C 13 69.873 0.000 . 1 . . . . . 47 THR CB . 27056 1 350 . 1 1 48 48 THR N N 15 115.932 0.020 . 1 . . . . . 47 THR N . 27056 1 351 . 1 1 49 49 LYS H H 1 8.458 0.001 . 1 . . . . . 48 LYS HN . 27056 1 352 . 1 1 49 49 LYS HA H 1 4.615 0.005 . 1 . . . . . 48 LYS HA . 27056 1 353 . 1 1 49 49 LYS HB2 H 1 1.718 0.000 . 1 . . . . . 48 LYS HB2 . 27056 1 354 . 1 1 49 49 LYS HB3 H 1 1.832 0.000 . 1 . . . . . 48 LYS HB3 . 27056 1 355 . 1 1 49 49 LYS C C 13 173.959 0.000 . 1 . . . . . 48 LYS C . 27056 1 356 . 1 1 49 49 LYS CA C 13 54.250 0.001 . 1 . . . . . 48 LYS CA . 27056 1 357 . 1 1 49 49 LYS CB C 13 32.540 0.000 . 1 . . . . . 48 LYS CB . 27056 1 358 . 1 1 49 49 LYS N N 15 125.796 0.023 . 1 . . . . . 48 LYS N . 27056 1 359 . 1 1 51 51 PRO HA H 1 4.465 0.000 . 1 . . . . . 50 PRO HA . 27056 1 360 . 1 1 51 51 PRO HB2 H 1 2.272 0.000 . 1 . . . . . 50 PRO HB2 . 27056 1 361 . 1 1 51 51 PRO HB3 H 1 1.862 0.000 . 1 . . . . . 50 PRO HB3 . 27056 1 362 . 1 1 51 51 PRO C C 13 176.742 0.000 . 1 . . . . . 50 PRO C . 27056 1 363 . 1 1 51 51 PRO CA C 13 62.665 0.000 . 1 . . . . . 50 PRO CA . 27056 1 364 . 1 1 51 51 PRO CB C 13 32.056 0.000 . 1 . . . . . 50 PRO CB . 27056 1 365 . 1 1 52 52 VAL H H 1 8.345 0.001 . 1 . . . . . 51 VAL HN . 27056 1 366 . 1 1 52 52 VAL HA H 1 4.406 0.001 . 1 . . . . . 51 VAL HA . 27056 1 367 . 1 1 52 52 VAL HB H 1 2.075 0.000 . 1 . . . . . 51 VAL HB . 27056 1 368 . 1 1 52 52 VAL C C 13 174.786 0.000 . 1 . . . . . 51 VAL C . 27056 1 369 . 1 1 52 52 VAL CA C 13 59.890 0.010 . 1 . . . . . 51 VAL CA . 27056 1 370 . 1 1 52 52 VAL CB C 13 32.438 0.000 . 1 . . . . . 51 VAL CB . 27056 1 371 . 1 1 52 52 VAL N N 15 121.841 0.019 . 1 . . . . . 51 VAL N . 27056 1 372 . 1 1 53 53 PRO HA H 1 4.444 0.000 . 1 . . . . . 52 PRO HA . 27056 1 373 . 1 1 53 53 PRO HB2 H 1 2.334 0.000 . 1 . . . . . 52 PRO HB2 . 27056 1 374 . 1 1 53 53 PRO HB3 H 1 1.928 0.000 . 1 . . . . . 52 PRO HB3 . 27056 1 375 . 1 1 53 53 PRO C C 13 176.993 0.000 . 1 . . . . . 52 PRO C . 27056 1 376 . 1 1 53 53 PRO CA C 13 63.236 0.000 . 1 . . . . . 52 PRO CA . 27056 1 377 . 1 1 53 53 PRO CB C 13 32.245 0.000 . 1 . . . . . 52 PRO CB . 27056 1 378 . 1 1 54 54 SER H H 1 8.589 0.002 . 1 . . . . . 53 SER HN . 27056 1 379 . 1 1 54 54 SER HA H 1 4.491 0.009 . 1 . . . . . 53 SER HA . 27056 1 380 . 1 1 54 54 SER HB2 H 1 3.882 0.000 . 1 . . . . . 53 SER HB2 . 27056 1 381 . 1 1 54 54 SER HB3 H 1 3.939 0.004 . 1 . . . . . 53 SER HB3 . 27056 1 382 . 1 1 54 54 SER C C 13 175.020 0.011 . 1 . . . . . 53 SER C . 27056 1 383 . 1 1 54 54 SER CA C 13 58.346 0.027 . 1 . . . . . 53 SER CA . 27056 1 384 . 1 1 54 54 SER CB C 13 63.821 0.032 . 1 . . . . . 53 SER CB . 27056 1 385 . 1 1 54 54 SER N N 15 116.615 0.024 . 1 . . . . . 53 SER N . 27056 1 386 . 1 1 55 55 THR H H 1 8.277 0.001 . 1 . . . . . 54 THR HN . 27056 1 387 . 1 1 55 55 THR HA H 1 4.367 0.005 . 1 . . . . . 54 THR HA . 27056 1 388 . 1 1 55 55 THR HB H 1 4.234 0.000 . 1 . . . . . 54 THR HB . 27056 1 389 . 1 1 55 55 THR C C 13 174.377 0.015 . 1 . . . . . 54 THR C . 27056 1 390 . 1 1 55 55 THR CA C 13 61.683 0.016 . 1 . . . . . 54 THR CA . 27056 1 391 . 1 1 55 55 THR CB C 13 69.786 0.000 . 1 . . . . . 54 THR CB . 27056 1 392 . 1 1 55 55 THR N N 15 115.901 0.012 . 1 . . . . . 54 THR N . 27056 1 393 . 1 1 56 56 GLN H H 1 8.414 0.002 . 1 . . . . . 55 GLN HN . 27056 1 394 . 1 1 56 56 GLN HA H 1 4.620 0.005 . 1 . . . . . 55 GLN HA . 27056 1 395 . 1 1 56 56 GLN HB2 H 1 2.098 0.000 . 1 . . . . . 55 GLN HB2 . 27056 1 396 . 1 1 56 56 GLN HB3 H 1 1.942 0.000 . 1 . . . . . 55 GLN HB3 . 27056 1 397 . 1 1 56 56 GLN C C 13 173.885 0.000 . 1 . . . . . 55 GLN C . 27056 1 398 . 1 1 56 56 GLN CA C 13 53.776 0.026 . 1 . . . . . 55 GLN CA . 27056 1 399 . 1 1 56 56 GLN CB C 13 28.975 0.000 . 1 . . . . . 55 GLN CB . 27056 1 400 . 1 1 56 56 GLN N N 15 123.959 0.028 . 1 . . . . . 55 GLN N . 27056 1 401 . 1 1 57 57 PRO HA H 1 4.413 0.000 . 1 . . . . . 56 PRO HA . 27056 1 402 . 1 1 57 57 PRO HB2 H 1 2.284 0.000 . 1 . . . . . 56 PRO HB2 . 27056 1 403 . 1 1 57 57 PRO HB3 H 1 1.855 0.000 . 1 . . . . . 56 PRO HB3 . 27056 1 404 . 1 1 57 57 PRO C C 13 176.698 0.000 . 1 . . . . . 56 PRO C . 27056 1 405 . 1 1 57 57 PRO CA C 13 63.011 0.000 . 1 . . . . . 56 PRO CA . 27056 1 406 . 1 1 57 57 PRO CB C 13 32.149 0.000 . 1 . . . . . 56 PRO CB . 27056 1 407 . 1 1 58 58 ILE H H 1 8.415 0.002 . 1 . . . . . 57 ILE HN . 27056 1 408 . 1 1 58 58 ILE HA H 1 4.125 0.006 . 1 . . . . . 57 ILE HA . 27056 1 409 . 1 1 58 58 ILE HB H 1 1.827 0.000 . 1 . . . . . 57 ILE HB . 27056 1 410 . 1 1 58 58 ILE C C 13 176.475 0.005 . 1 . . . . . 57 ILE C . 27056 1 411 . 1 1 58 58 ILE CA C 13 61.218 0.012 . 1 . . . . . 57 ILE CA . 27056 1 412 . 1 1 58 58 ILE CB C 13 38.540 0.001 . 1 . . . . . 57 ILE CB . 27056 1 413 . 1 1 58 58 ILE N N 15 122.182 0.025 . 1 . . . . . 57 ILE N . 27056 1 414 . 1 1 59 59 VAL H H 1 8.357 0.001 . 1 . . . . . 58 VAL HN . 27056 1 415 . 1 1 59 59 VAL HA H 1 4.094 0.003 . 1 . . . . . 58 VAL HA . 27056 1 416 . 1 1 59 59 VAL HB H 1 2.025 0.001 . 1 . . . . . 58 VAL HB . 27056 1 417 . 1 1 59 59 VAL C C 13 175.653 0.000 . 1 . . . . . 58 VAL C . 27056 1 418 . 1 1 59 59 VAL CA C 13 62.034 0.001 . 1 . . . . . 58 VAL CA . 27056 1 419 . 1 1 59 59 VAL CB C 13 32.799 0.011 . 1 . . . . . 58 VAL CB . 27056 1 420 . 1 1 59 59 VAL N N 15 126.112 0.019 . 1 . . . . . 58 VAL N . 27056 1 421 . 1 1 60 60 ALA H H 1 8.507 0.001 . 1 . . . . . 59 ALA HN . 27056 1 422 . 1 1 60 60 ALA HA H 1 4.280 0.006 . 1 . . . . . 59 ALA HA . 27056 1 423 . 1 1 60 60 ALA HB1 H 1 1.381 0.002 . 1 . . . . . 59 ALA HB . 27056 1 424 . 1 1 60 60 ALA HB2 H 1 1.381 0.002 . 1 . . . . . 59 ALA HB . 27056 1 425 . 1 1 60 60 ALA HB3 H 1 1.381 0.002 . 1 . . . . . 59 ALA HB . 27056 1 426 . 1 1 60 60 ALA C C 13 177.421 0.000 . 1 . . . . . 59 ALA C . 27056 1 427 . 1 1 60 60 ALA CA C 13 52.385 0.001 . 1 . . . . . 59 ALA CA . 27056 1 428 . 1 1 60 60 ALA CB C 13 19.246 0.003 . 1 . . . . . 59 ALA CB . 27056 1 429 . 1 1 60 60 ALA N N 15 129.025 0.021 . 1 . . . . . 59 ALA N . 27056 1 430 . 1 1 61 61 ALA H H 1 8.420 0.001 . 1 . . . . . 60 ALA HN . 27056 1 431 . 1 1 61 61 ALA HA H 1 4.293 0.005 . 1 . . . . . 60 ALA HA . 27056 1 432 . 1 1 61 61 ALA HB1 H 1 1.387 0.002 . 1 . . . . . 60 ALA HB . 27056 1 433 . 1 1 61 61 ALA HB2 H 1 1.387 0.002 . 1 . . . . . 60 ALA HB . 27056 1 434 . 1 1 61 61 ALA HB3 H 1 1.387 0.002 . 1 . . . . . 60 ALA HB . 27056 1 435 . 1 1 61 61 ALA C C 13 178.091 0.000 . 1 . . . . . 60 ALA C . 27056 1 436 . 1 1 61 61 ALA CA C 13 52.633 0.034 . 1 . . . . . 60 ALA CA . 27056 1 437 . 1 1 61 61 ALA CB C 13 19.117 0.008 . 1 . . . . . 60 ALA CB . 27056 1 438 . 1 1 61 61 ALA N N 15 124.217 0.029 . 1 . . . . . 60 ALA N . 27056 1 439 . 1 1 62 62 VAL H H 1 8.212 0.001 . 1 . . . . . 61 VAL HN . 27056 1 440 . 1 1 62 62 VAL HA H 1 4.054 0.006 . 1 . . . . . 61 VAL HA . 27056 1 441 . 1 1 62 62 VAL HB H 1 2.057 0.002 . 1 . . . . . 61 VAL HB . 27056 1 442 . 1 1 62 62 VAL C C 13 176.401 0.019 . 1 . . . . . 61 VAL C . 27056 1 443 . 1 1 62 62 VAL CA C 13 62.565 0.027 . 1 . . . . . 61 VAL CA . 27056 1 444 . 1 1 62 62 VAL CB C 13 32.734 0.001 . 1 . . . . . 61 VAL CB . 27056 1 445 . 1 1 62 62 VAL N N 15 119.987 0.024 . 1 . . . . . 61 VAL N . 27056 1 446 . 1 1 63 63 GLU H H 1 8.488 0.002 . 1 . . . . . 62 GLU HN . 27056 1 447 . 1 1 63 63 GLU HA H 1 4.303 0.005 . 1 . . . . . 62 GLU HA . 27056 1 448 . 1 1 63 63 GLU HB2 H 1 1.952 0.004 . 1 . . . . . 62 GLU HB2 . 27056 1 449 . 1 1 63 63 GLU HB3 H 1 2.018 0.001 . 1 . . . . . 62 GLU HB3 . 27056 1 450 . 1 1 63 63 GLU C C 13 176.782 0.018 . 1 . . . . . 62 GLU C . 27056 1 451 . 1 1 63 63 GLU CA C 13 56.555 0.027 . 1 . . . . . 62 GLU CA . 27056 1 452 . 1 1 63 63 GLU CB C 13 30.308 0.000 . 1 . . . . . 62 GLU CB . 27056 1 453 . 1 1 63 63 GLU N N 15 125.046 0.018 . 1 . . . . . 62 GLU N . 27056 1 454 . 1 1 64 64 VAL H H 1 8.311 0.000 . 1 . . . . . 63 VAL HN . 27056 1 455 . 1 1 64 64 VAL HA H 1 4.004 0.005 . 1 . . . . . 63 VAL HA . 27056 1 456 . 1 1 64 64 VAL HB H 1 2.066 0.000 . 1 . . . . . 63 VAL HB . 27056 1 457 . 1 1 64 64 VAL C C 13 176.304 0.005 . 1 . . . . . 63 VAL C . 27056 1 458 . 1 1 64 64 VAL CA C 13 62.823 0.033 . 1 . . . . . 63 VAL CA . 27056 1 459 . 1 1 64 64 VAL CB C 13 32.614 0.034 . 1 . . . . . 63 VAL CB . 27056 1 460 . 1 1 64 64 VAL N N 15 122.619 0.029 . 1 . . . . . 63 VAL N . 27056 1 461 . 1 1 65 65 ALA H H 1 8.394 0.001 . 1 . . . . . 64 ALA HN . 27056 1 462 . 1 1 65 65 ALA HA H 1 4.274 0.004 . 1 . . . . . 64 ALA HA . 27056 1 463 . 1 1 65 65 ALA HB1 H 1 1.393 0.001 . 1 . . . . . 64 ALA HB . 27056 1 464 . 1 1 65 65 ALA HB2 H 1 1.393 0.001 . 1 . . . . . 64 ALA HB . 27056 1 465 . 1 1 65 65 ALA HB3 H 1 1.393 0.001 . 1 . . . . . 64 ALA HB . 27056 1 466 . 1 1 65 65 ALA C C 13 178.021 0.000 . 1 . . . . . 64 ALA C . 27056 1 467 . 1 1 65 65 ALA CA C 13 52.789 0.011 . 1 . . . . . 64 ALA CA . 27056 1 468 . 1 1 65 65 ALA CB C 13 19.021 0.000 . 1 . . . . . 64 ALA CB . 27056 1 469 . 1 1 65 65 ALA N N 15 127.210 0.018 . 1 . . . . . 64 ALA N . 27056 1 470 . 1 1 66 66 LYS H H 1 8.308 0.008 . 1 . . . . . 65 LYS HN . 27056 1 471 . 1 1 66 66 LYS HA H 1 4.259 0.004 . 1 . . . . . 65 LYS HA . 27056 1 472 . 1 1 66 66 LYS HB2 H 1 1.756 0.000 . 1 . . . . . 65 LYS HB2 . 27056 1 473 . 1 1 66 66 LYS HB3 H 1 1.832 0.001 . 1 . . . . . 65 LYS HB3 . 27056 1 474 . 1 1 66 66 LYS C C 13 176.918 0.010 . 1 . . . . . 65 LYS C . 27056 1 475 . 1 1 66 66 LYS CA C 13 56.452 0.020 . 1 . . . . . 65 LYS CA . 27056 1 476 . 1 1 66 66 LYS CB C 13 33.050 0.013 . 1 . . . . . 65 LYS CB . 27056 1 477 . 1 1 66 66 LYS N N 15 120.938 0.028 . 1 . . . . . 65 LYS N . 27056 1 478 . 1 1 67 67 LYS H H 1 8.330 0.001 . 1 . . . . . 66 LYS HN . 27056 1 479 . 1 1 67 67 LYS HA H 1 4.283 0.002 . 1 . . . . . 66 LYS HA . 27056 1 480 . 1 1 67 67 LYS HB2 H 1 1.773 0.000 . 1 . . . . . 66 LYS HB2 . 27056 1 481 . 1 1 67 67 LYS HB3 H 1 1.824 0.000 . 1 . . . . . 66 LYS HB3 . 27056 1 482 . 1 1 67 67 LYS C C 13 176.795 0.007 . 1 . . . . . 66 LYS C . 27056 1 483 . 1 1 67 67 LYS CA C 13 56.483 0.017 . 1 . . . . . 66 LYS CA . 27056 1 484 . 1 1 67 67 LYS CB C 13 33.087 0.005 . 1 . . . . . 66 LYS CB . 27056 1 485 . 1 1 67 67 LYS N N 15 122.752 0.007 . 1 . . . . . 66 LYS N . 27056 1 486 . 1 1 68 68 LYS H H 1 8.463 0.001 . 1 . . . . . 67 LYS HN . 27056 1 487 . 1 1 68 68 LYS HA H 1 4.314 0.005 . 1 . . . . . 67 LYS HA . 27056 1 488 . 1 1 68 68 LYS HB2 H 1 1.860 0.000 . 1 . . . . . 67 LYS HB2 . 27056 1 489 . 1 1 68 68 LYS HB3 H 1 1.784 0.000 . 1 . . . . . 67 LYS HB3 . 27056 1 490 . 1 1 68 68 LYS C C 13 176.823 0.012 . 1 . . . . . 67 LYS C . 27056 1 491 . 1 1 68 68 LYS CA C 13 56.561 0.021 . 1 . . . . . 67 LYS CA . 27056 1 492 . 1 1 68 68 LYS CB C 13 33.121 0.001 . 1 . . . . . 67 LYS CB . 27056 1 493 . 1 1 68 68 LYS N N 15 123.268 0.026 . 1 . . . . . 67 LYS N . 27056 1 494 . 1 1 69 69 SER H H 1 8.472 0.001 . 1 . . . . . 68 SER HN . 27056 1 495 . 1 1 69 69 SER HA H 1 4.456 0.011 . 1 . . . . . 68 SER HA . 27056 1 496 . 1 1 69 69 SER HB2 H 1 3.881 0.004 . 1 . . . . . 68 SER HB2 . 27056 1 497 . 1 1 69 69 SER C C 13 174.487 0.061 . 1 . . . . . 68 SER C . 27056 1 498 . 1 1 69 69 SER CA C 13 58.432 0.013 . 1 . . . . . 68 SER CA . 27056 1 499 . 1 1 69 69 SER CB C 13 63.822 0.004 . 1 . . . . . 68 SER CB . 27056 1 500 . 1 1 69 69 SER N N 15 117.505 0.009 . 1 . . . . . 68 SER N . 27056 1 501 . 1 1 70 70 CYS H H 1 8.511 0.001 . 1 . . . . . 69 CYS HN . 27056 1 502 . 1 1 70 70 CYS HA H 1 4.565 0.005 . 1 . . . . . 69 CYS HA . 27056 1 503 . 1 1 70 70 CYS HB2 H 1 2.952 0.002 . 1 . . . . . 69 CYS HB2 . 27056 1 504 . 1 1 70 70 CYS C C 13 174.630 0.006 . 1 . . . . . 69 CYS C . 27056 1 505 . 1 1 70 70 CYS CA C 13 58.493 0.018 . 1 . . . . . 69 CYS CA . 27056 1 506 . 1 1 70 70 CYS CB C 13 28.082 0.002 . 1 . . . . . 69 CYS CB . 27056 1 507 . 1 1 70 70 CYS N N 15 121.563 0.005 . 1 . . . . . 69 CYS N . 27056 1 508 . 1 1 71 71 LEU H H 1 8.410 0.001 . 1 . . . . . 70 LEU HN . 27056 1 509 . 1 1 71 71 LEU HA H 1 4.396 0.005 . 1 . . . . . 70 LEU HA . 27056 1 510 . 1 1 71 71 LEU HB2 H 1 1.662 0.000 . 1 . . . . . 70 LEU HB2 . 27056 1 511 . 1 1 71 71 LEU HB3 H 1 1.612 0.000 . 1 . . . . . 70 LEU HB3 . 27056 1 512 . 1 1 71 71 LEU C C 13 177.410 0.005 . 1 . . . . . 70 LEU C . 27056 1 513 . 1 1 71 71 LEU CA C 13 55.376 0.017 . 1 . . . . . 70 LEU CA . 27056 1 514 . 1 1 71 71 LEU CB C 13 42.305 0.004 . 1 . . . . . 70 LEU CB . 27056 1 515 . 1 1 71 71 LEU N N 15 124.718 0.010 . 1 . . . . . 70 LEU N . 27056 1 516 . 1 1 72 72 SER H H 1 8.326 0.001 . 1 . . . . . 71 SER HN . 27056 1 517 . 1 1 72 72 SER HA H 1 4.450 0.007 . 1 . . . . . 71 SER HA . 27056 1 518 . 1 1 72 72 SER HB2 H 1 3.843 0.000 . 1 . . . . . 71 SER HB2 . 27056 1 519 . 1 1 72 72 SER C C 13 173.641 0.001 . 1 . . . . . 71 SER C . 27056 1 520 . 1 1 72 72 SER CA C 13 58.032 0.019 . 1 . . . . . 71 SER CA . 27056 1 521 . 1 1 72 72 SER CB C 13 63.900 0.001 . 1 . . . . . 71 SER CB . 27056 1 522 . 1 1 72 72 SER N N 15 116.970 0.012 . 1 . . . . . 71 SER N . 27056 1 523 . 1 1 73 73 ALA H H 1 8.350 0.001 . 1 . . . . . 72 ALA HN . 27056 1 524 . 1 1 73 73 ALA HA H 1 4.601 0.000 . 1 . . . . . 72 ALA HA . 27056 1 525 . 1 1 73 73 ALA HB1 H 1 1.365 0.000 . 1 . . . . . 72 ALA HB . 27056 1 526 . 1 1 73 73 ALA HB2 H 1 1.365 0.000 . 1 . . . . . 72 ALA HB . 27056 1 527 . 1 1 73 73 ALA HB3 H 1 1.365 0.000 . 1 . . . . . 72 ALA HB . 27056 1 528 . 1 1 73 73 ALA CA C 13 50.580 0.000 . 1 . . . . . 72 ALA CA . 27056 1 529 . 1 1 73 73 ALA CB C 13 18.173 0.000 . 1 . . . . . 72 ALA CB . 27056 1 530 . 1 1 73 73 ALA N N 15 127.490 0.007 . 1 . . . . . 72 ALA N . 27056 1 531 . 1 1 74 74 PRO HA H 1 4.419 0.000 . 1 . . . . . 73 PRO HA . 27056 1 532 . 1 1 74 74 PRO HB2 H 1 2.288 0.000 . 1 . . . . . 73 PRO HB2 . 27056 1 533 . 1 1 74 74 PRO HB3 H 1 1.865 0.000 . 1 . . . . . 73 PRO HB3 . 27056 1 534 . 1 1 74 74 PRO C C 13 176.748 0.000 . 1 . . . . . 73 PRO C . 27056 1 535 . 1 1 74 74 PRO CA C 13 62.798 0.000 . 1 . . . . . 73 PRO CA . 27056 1 536 . 1 1 74 74 PRO CB C 13 32.097 0.000 . 1 . . . . . 73 PRO CB . 27056 1 537 . 1 1 75 75 LYS H H 1 8.547 0.001 . 1 . . . . . 74 LYS HN . 27056 1 538 . 1 1 75 75 LYS HA H 1 4.571 0.000 . 1 . . . . . 74 LYS HA . 27056 1 539 . 1 1 75 75 LYS HB2 H 1 1.723 0.000 . 1 . . . . . 74 LYS HB2 . 27056 1 540 . 1 1 75 75 LYS HB3 H 1 1.840 0.000 . 1 . . . . . 74 LYS HB3 . 27056 1 541 . 1 1 75 75 LYS C C 13 174.702 0.000 . 1 . . . . . 74 LYS C . 27056 1 542 . 1 1 75 75 LYS CA C 13 54.132 0.015 . 1 . . . . . 74 LYS CA . 27056 1 543 . 1 1 75 75 LYS CB C 13 32.415 0.000 . 1 . . . . . 74 LYS CB . 27056 1 544 . 1 1 75 75 LYS N N 15 123.314 0.008 . 1 . . . . . 74 LYS N . 27056 1 545 . 1 1 76 76 PRO HA H 1 4.408 0.000 . 1 . . . . . 75 PRO HA . 27056 1 546 . 1 1 76 76 PRO HB2 H 1 2.307 0.000 . 1 . . . . . 75 PRO HB2 . 27056 1 547 . 1 1 76 76 PRO HB3 H 1 1.879 0.000 . 1 . . . . . 75 PRO HB3 . 27056 1 548 . 1 1 76 76 PRO C C 13 176.721 0.000 . 1 . . . . . 75 PRO C . 27056 1 549 . 1 1 76 76 PRO CA C 13 62.971 0.000 . 1 . . . . . 75 PRO CA . 27056 1 550 . 1 1 76 76 PRO CB C 13 32.183 0.000 . 1 . . . . . 75 PRO CB . 27056 1 551 . 1 1 77 77 ARG H H 1 8.551 0.001 . 1 . . . . . 76 ARG HN . 27056 1 552 . 1 1 77 77 ARG HA H 1 4.299 0.005 . 1 . . . . . 76 ARG HA . 27056 1 553 . 1 1 77 77 ARG HB2 H 1 1.774 0.002 . 1 . . . . . 76 ARG HB2 . 27056 1 554 . 1 1 77 77 ARG HB3 H 1 1.827 0.001 . 1 . . . . . 76 ARG HB3 . 27056 1 555 . 1 1 77 77 ARG C C 13 176.209 0.026 . 1 . . . . . 76 ARG C . 27056 1 556 . 1 1 77 77 ARG CA C 13 56.008 0.019 . 1 . . . . . 76 ARG CA . 27056 1 557 . 1 1 77 77 ARG CB C 13 31.096 0.018 . 1 . . . . . 76 ARG CB . 27056 1 558 . 1 1 77 77 ARG N N 15 122.333 0.018 . 1 . . . . . 76 ARG N . 27056 1 559 . 1 1 78 78 LYS H H 1 8.508 0.001 . 1 . . . . . 77 LYS HN . 27056 1 560 . 1 1 78 78 LYS HA H 1 4.337 0.004 . 1 . . . . . 77 LYS HA . 27056 1 561 . 1 1 78 78 LYS HB2 H 1 1.721 0.000 . 1 . . . . . 77 LYS HB2 . 27056 1 562 . 1 1 78 78 LYS HB3 H 1 1.785 0.000 . 1 . . . . . 77 LYS HB3 . 27056 1 563 . 1 1 78 78 LYS C C 13 176.176 0.004 . 1 . . . . . 77 LYS C . 27056 1 564 . 1 1 78 78 LYS CA C 13 55.937 0.026 . 1 . . . . . 77 LYS CA . 27056 1 565 . 1 1 78 78 LYS CB C 13 33.191 0.003 . 1 . . . . . 77 LYS CB . 27056 1 566 . 1 1 78 78 LYS N N 15 124.001 0.018 . 1 . . . . . 77 LYS N . 27056 1 567 . 1 1 79 79 GLU H H 1 8.611 0.002 . 1 . . . . . 78 GLU HN . 27056 1 568 . 1 1 79 79 GLU HA H 1 4.566 0.002 . 1 . . . . . 78 GLU HA . 27056 1 569 . 1 1 79 79 GLU HB2 H 1 1.845 0.000 . 1 . . . . . 78 GLU HB2 . 27056 1 570 . 1 1 79 79 GLU HB3 H 1 2.021 0.000 . 1 . . . . . 78 GLU HB3 . 27056 1 571 . 1 1 79 79 GLU C C 13 174.119 0.000 . 1 . . . . . 78 GLU C . 27056 1 572 . 1 1 79 79 GLU CA C 13 54.318 0.002 . 1 . . . . . 78 GLU CA . 27056 1 573 . 1 1 79 79 GLU CB C 13 29.550 0.000 . 1 . . . . . 78 GLU CB . 27056 1 574 . 1 1 79 79 GLU N N 15 124.897 0.021 . 1 . . . . . 78 GLU N . 27056 1 575 . 1 1 81 81 PRO HA H 1 4.437 0.000 . 1 . . . . . 80 PRO HA . 27056 1 576 . 1 1 81 81 PRO HB2 H 1 2.302 0.000 . 1 . . . . . 80 PRO HB2 . 27056 1 577 . 1 1 81 81 PRO HB3 H 1 1.859 0.000 . 1 . . . . . 80 PRO HB3 . 27056 1 578 . 1 1 81 81 PRO C C 13 176.812 0.000 . 1 . . . . . 80 PRO C . 27056 1 579 . 1 1 81 81 PRO CA C 13 62.952 0.000 . 1 . . . . . 80 PRO CA . 27056 1 580 . 1 1 81 81 PRO CB C 13 32.099 0.000 . 1 . . . . . 80 PRO CB . 27056 1 581 . 1 1 82 82 SER H H 1 8.436 0.002 . 1 . . . . . 81 SER HN . 27056 1 582 . 1 1 82 82 SER HA H 1 4.380 0.004 . 1 . . . . . 81 SER HA . 27056 1 583 . 1 1 82 82 SER HB2 H 1 3.810 0.001 . 1 . . . . . 81 SER HB2 . 27056 1 584 . 1 1 82 82 SER C C 13 173.972 0.006 . 1 . . . . . 81 SER C . 27056 1 585 . 1 1 82 82 SER CA C 13 58.094 0.023 . 1 . . . . . 81 SER CA . 27056 1 586 . 1 1 82 82 SER CB C 13 63.911 0.032 . 1 . . . . . 81 SER CB . 27056 1 587 . 1 1 82 82 SER N N 15 116.256 0.026 . 1 . . . . . 81 SER N . 27056 1 588 . 1 1 83 83 HIS H H 1 8.418 0.000 . 1 . . . . . 82 HIS HN . 27056 1 589 . 1 1 83 83 HIS HA H 1 4.899 0.000 . 1 . . . . . 82 HIS HA . 27056 1 590 . 1 1 83 83 HIS HB2 H 1 3.060 0.000 . 1 . . . . . 82 HIS HB2 . 27056 1 591 . 1 1 83 83 HIS HB3 H 1 3.123 0.000 . 1 . . . . . 82 HIS HB3 . 27056 1 592 . 1 1 83 83 HIS CA C 13 54.340 0.000 . 1 . . . . . 82 HIS CA . 27056 1 593 . 1 1 83 83 HIS CB C 13 30.227 0.000 . 1 . . . . . 82 HIS CB . 27056 1 594 . 1 1 83 83 HIS N N 15 122.197 0.011 . 1 . . . . . 82 HIS N . 27056 1 595 . 1 1 84 84 PRO HA H 1 4.375 0.000 . 1 . . . . . 83 PRO HA . 27056 1 596 . 1 1 84 84 PRO HB2 H 1 2.292 0.000 . 1 . . . . . 83 PRO HB2 . 27056 1 597 . 1 1 84 84 PRO HB3 H 1 1.917 0.000 . 1 . . . . . 83 PRO HB3 . 27056 1 598 . 1 1 84 84 PRO C C 13 176.869 0.000 . 1 . . . . . 83 PRO C . 27056 1 599 . 1 1 84 84 PRO CA C 13 63.515 0.000 . 1 . . . . . 83 PRO CA . 27056 1 600 . 1 1 84 84 PRO CB C 13 32.145 0.000 . 1 . . . . . 83 PRO CB . 27056 1 601 . 1 1 85 85 ALA H H 1 8.823 0.004 . 1 . . . . . 84 ALA HN . 27056 1 602 . 1 1 85 85 ALA HA H 1 4.320 0.005 . 1 . . . . . 84 ALA HA . 27056 1 603 . 1 1 85 85 ALA HB1 H 1 1.409 0.001 . 1 . . . . . 84 ALA HB . 27056 1 604 . 1 1 85 85 ALA HB2 H 1 1.409 0.001 . 1 . . . . . 84 ALA HB . 27056 1 605 . 1 1 85 85 ALA HB3 H 1 1.409 0.001 . 1 . . . . . 84 ALA HB . 27056 1 606 . 1 1 85 85 ALA C C 13 178.028 0.000 . 1 . . . . . 84 ALA C . 27056 1 607 . 1 1 85 85 ALA CA C 13 52.613 0.006 . 1 . . . . . 84 ALA CA . 27056 1 608 . 1 1 85 85 ALA CB C 13 19.031 0.001 . 1 . . . . . 84 ALA CB . 27056 1 609 . 1 1 85 85 ALA N N 15 124.351 0.017 . 1 . . . . . 84 ALA N . 27056 1 610 . 1 1 86 86 LEU H H 1 8.250 0.001 . 1 . . . . . 85 LEU HN . 27056 1 611 . 1 1 86 86 LEU HA H 1 4.334 0.003 . 1 . . . . . 85 LEU HA . 27056 1 612 . 1 1 86 86 LEU HB2 H 1 1.588 0.000 . 1 . . . . . 85 LEU HB2 . 27056 1 613 . 1 1 86 86 LEU HB3 H 1 1.657 0.000 . 1 . . . . . 85 LEU HB3 . 27056 1 614 . 1 1 86 86 LEU C C 13 177.497 0.005 . 1 . . . . . 85 LEU C . 27056 1 615 . 1 1 86 86 LEU CA C 13 55.157 0.010 . 1 . . . . . 85 LEU CA . 27056 1 616 . 1 1 86 86 LEU CB C 13 42.297 0.008 . 1 . . . . . 85 LEU CB . 27056 1 617 . 1 1 86 86 LEU N N 15 121.322 0.018 . 1 . . . . . 85 LEU N . 27056 1 618 . 1 1 87 87 ARG H H 1 8.340 0.001 . 1 . . . . . 86 ARG HN . 27056 1 619 . 1 1 87 87 ARG HA H 1 4.309 0.013 . 1 . . . . . 86 ARG HA . 27056 1 620 . 1 1 87 87 ARG HB2 H 1 1.774 0.001 . 1 . . . . . 86 ARG HB2 . 27056 1 621 . 1 1 87 87 ARG C C 13 176.248 0.000 . 1 . . . . . 86 ARG C . 27056 1 622 . 1 1 87 87 ARG CA C 13 56.103 0.022 . 1 . . . . . 86 ARG CA . 27056 1 623 . 1 1 87 87 ARG CB C 13 30.696 0.011 . 1 . . . . . 86 ARG CB . 27056 1 624 . 1 1 87 87 ARG N N 15 122.103 0.022 . 1 . . . . . 86 ARG N . 27056 1 625 . 1 1 88 88 GLN H H 1 8.464 0.000 . 1 . . . . . 87 GLN HN . 27056 1 626 . 1 1 88 88 GLN HA H 1 4.318 0.006 . 1 . . . . . 87 GLN HA . 27056 1 627 . 1 1 88 88 GLN HB2 H 1 2.091 0.000 . 1 . . . . . 87 GLN HB2 . 27056 1 628 . 1 1 88 88 GLN HB3 H 1 1.979 0.000 . 1 . . . . . 87 GLN HB3 . 27056 1 629 . 1 1 88 88 GLN C C 13 175.965 0.003 . 1 . . . . . 87 GLN C . 27056 1 630 . 1 1 88 88 GLN CA C 13 55.756 0.021 . 1 . . . . . 87 GLN CA . 27056 1 631 . 1 1 88 88 GLN CB C 13 29.676 0.000 . 1 . . . . . 87 GLN CB . 27056 1 632 . 1 1 88 88 GLN N N 15 121.934 0.021 . 1 . . . . . 87 GLN N . 27056 1 633 . 1 1 89 89 LYS H H 1 8.540 0.002 . 1 . . . . . 88 LYS HN . 27056 1 634 . 1 1 89 89 LYS HA H 1 4.356 0.008 . 1 . . . . . 88 LYS HA . 27056 1 635 . 1 1 89 89 LYS HB2 H 1 1.844 0.002 . 1 . . . . . 88 LYS HB2 . 27056 1 636 . 1 1 89 89 LYS HB3 H 1 1.769 0.000 . 1 . . . . . 88 LYS HB3 . 27056 1 637 . 1 1 89 89 LYS C C 13 176.686 0.000 . 1 . . . . . 88 LYS C . 27056 1 638 . 1 1 89 89 LYS CA C 13 56.514 0.021 . 1 . . . . . 88 LYS CA . 27056 1 639 . 1 1 89 89 LYS CB C 13 33.116 0.001 . 1 . . . . . 88 LYS CB . 27056 1 640 . 1 1 89 89 LYS N N 15 123.318 0.013 . 1 . . . . . 88 LYS N . 27056 1 641 . 1 1 90 90 THR H H 1 8.315 0.002 . 1 . . . . . 89 THR HN . 27056 1 642 . 1 1 90 90 THR HA H 1 4.367 0.003 . 1 . . . . . 89 THR HA . 27056 1 643 . 1 1 90 90 THR HB H 1 4.159 0.000 . 1 . . . . . 89 THR HB . 27056 1 644 . 1 1 90 90 THR C C 13 174.404 0.019 . 1 . . . . . 89 THR C . 27056 1 645 . 1 1 90 90 THR CA C 13 61.964 0.011 . 1 . . . . . 89 THR CA . 27056 1 646 . 1 1 90 90 THR CB C 13 69.980 0.024 . 1 . . . . . 89 THR CB . 27056 1 647 . 1 1 90 90 THR N N 15 116.884 0.022 . 1 . . . . . 89 THR N . 27056 1 648 . 1 1 91 91 VAL H H 1 8.317 0.001 . 1 . . . . . 90 VAL HN . 27056 1 649 . 1 1 91 91 VAL HA H 1 4.117 0.012 . 1 . . . . . 90 VAL HA . 27056 1 650 . 1 1 91 91 VAL HB H 1 2.011 0.002 . 1 . . . . . 90 VAL HB . 27056 1 651 . 1 1 91 91 VAL C C 13 175.535 0.012 . 1 . . . . . 90 VAL C . 27056 1 652 . 1 1 91 91 VAL CA C 13 62.072 0.008 . 1 . . . . . 90 VAL CA . 27056 1 653 . 1 1 91 91 VAL CB C 13 32.942 0.001 . 1 . . . . . 90 VAL CB . 27056 1 654 . 1 1 91 91 VAL N N 15 123.319 0.019 . 1 . . . . . 90 VAL N . 27056 1 655 . 1 1 92 92 ALA H H 1 8.414 0.001 . 1 . . . . . 91 ALA HN . 27056 1 656 . 1 1 92 92 ALA HA H 1 4.295 0.006 . 1 . . . . . 91 ALA HA . 27056 1 657 . 1 1 92 92 ALA HB1 H 1 1.306 0.001 . 1 . . . . . 91 ALA HB . 27056 1 658 . 1 1 92 92 ALA HB2 H 1 1.306 0.001 . 1 . . . . . 91 ALA HB . 27056 1 659 . 1 1 92 92 ALA HB3 H 1 1.306 0.001 . 1 . . . . . 91 ALA HB . 27056 1 660 . 1 1 92 92 ALA C C 13 177.187 0.000 . 1 . . . . . 91 ALA C . 27056 1 661 . 1 1 92 92 ALA CA C 13 52.194 0.007 . 1 . . . . . 91 ALA CA . 27056 1 662 . 1 1 92 92 ALA CB C 13 19.444 0.001 . 1 . . . . . 91 ALA CB . 27056 1 663 . 1 1 92 92 ALA N N 15 127.995 0.010 . 1 . . . . . 91 ALA N . 27056 1 664 . 1 1 93 93 PHE H H 1 8.333 0.001 . 1 . . . . . 92 PHE HN . 27056 1 665 . 1 1 93 93 PHE HA H 1 4.550 0.001 . 1 . . . . . 92 PHE HA . 27056 1 666 . 1 1 93 93 PHE HB2 H 1 3.069 0.003 . 1 . . . . . 92 PHE HB2 . 27056 1 667 . 1 1 93 93 PHE HB3 H 1 3.147 0.005 . 1 . . . . . 92 PHE HB3 . 27056 1 668 . 1 1 93 93 PHE C C 13 176.404 0.000 . 1 . . . . . 92 PHE C . 27056 1 669 . 1 1 93 93 PHE CA C 13 58.074 0.001 . 1 . . . . . 92 PHE CA . 27056 1 670 . 1 1 93 93 PHE CB C 13 39.574 0.002 . 1 . . . . . 92 PHE CB . 27056 1 671 . 1 1 93 93 PHE N N 15 120.311 0.009 . 1 . . . . . 92 PHE N . 27056 1 672 . 1 1 94 94 GLY H H 1 8.401 0.004 . 1 . . . . . 93 GLY HN . 27056 1 673 . 1 1 94 94 GLY HA2 H 1 3.877 0.002 . 1 . . . . . 93 GLY HA1 . 27056 1 674 . 1 1 94 94 GLY C C 13 173.873 0.000 . 1 . . . . . 93 GLY C . 27056 1 675 . 1 1 94 94 GLY CA C 13 45.200 0.003 . 1 . . . . . 93 GLY CA . 27056 1 676 . 1 1 94 94 GLY N N 15 110.763 0.015 . 1 . . . . . 93 GLY N . 27056 1 677 . 1 1 95 95 LYS H H 1 8.189 0.003 . 1 . . . . . 94 LYS HN . 27056 1 678 . 1 1 95 95 LYS HA H 1 4.412 0.004 . 1 . . . . . 94 LYS HA . 27056 1 679 . 1 1 95 95 LYS HB2 H 1 1.855 0.001 . 1 . . . . . 94 LYS HB2 . 27056 1 680 . 1 1 95 95 LYS HB3 H 1 1.761 0.002 . 1 . . . . . 94 LYS HB3 . 27056 1 681 . 1 1 95 95 LYS C C 13 176.785 0.005 . 1 . . . . . 94 LYS C . 27056 1 682 . 1 1 95 95 LYS CA C 13 56.112 0.033 . 1 . . . . . 94 LYS CA . 27056 1 683 . 1 1 95 95 LYS CB C 13 33.230 0.000 . 1 . . . . . 94 LYS CB . 27056 1 684 . 1 1 95 95 LYS N N 15 120.873 0.006 . 1 . . . . . 94 LYS N . 27056 1 685 . 1 1 96 96 THR H H 1 8.332 0.001 . 1 . . . . . 95 THR HN . 27056 1 686 . 1 1 96 96 THR HA H 1 4.374 0.002 . 1 . . . . . 95 THR HA . 27056 1 687 . 1 1 96 96 THR HB H 1 4.169 0.000 . 1 . . . . . 95 THR HB . 27056 1 688 . 1 1 96 96 THR C C 13 174.426 0.007 . 1 . . . . . 95 THR C . 27056 1 689 . 1 1 96 96 THR CA C 13 62.000 0.006 . 1 . . . . . 95 THR CA . 27056 1 690 . 1 1 96 96 THR CB C 13 69.923 0.015 . 1 . . . . . 95 THR CB . 27056 1 691 . 1 1 96 96 THR N N 15 116.514 0.023 . 1 . . . . . 95 THR N . 27056 1 692 . 1 1 97 97 VAL H H 1 8.317 0.002 . 1 . . . . . 96 VAL HN . 27056 1 693 . 1 1 97 97 VAL HA H 1 4.138 0.006 . 1 . . . . . 96 VAL HA . 27056 1 694 . 1 1 97 97 VAL HB H 1 2.043 0.004 . 1 . . . . . 96 VAL HB . 27056 1 695 . 1 1 97 97 VAL C C 13 175.558 0.010 . 1 . . . . . 96 VAL C . 27056 1 696 . 1 1 97 97 VAL CA C 13 62.082 0.006 . 1 . . . . . 96 VAL CA . 27056 1 697 . 1 1 97 97 VAL CB C 13 32.992 0.002 . 1 . . . . . 96 VAL CB . 27056 1 698 . 1 1 97 97 VAL N N 15 123.104 0.027 . 1 . . . . . 96 VAL N . 27056 1 699 . 1 1 98 98 ASN H H 1 8.647 0.002 . 1 . . . . . 97 ASN HN . 27056 1 700 . 1 1 98 98 ASN HA H 1 4.774 0.005 . 1 . . . . . 97 ASN HA . 27056 1 701 . 1 1 98 98 ASN HB2 H 1 2.714 0.003 . 1 . . . . . 97 ASN HB2 . 27056 1 702 . 1 1 98 98 ASN HB3 H 1 2.829 0.001 . 1 . . . . . 97 ASN HB3 . 27056 1 703 . 1 1 98 98 ASN C C 13 175.265 0.005 . 1 . . . . . 97 ASN C . 27056 1 704 . 1 1 98 98 ASN CA C 13 53.069 0.019 . 1 . . . . . 97 ASN CA . 27056 1 705 . 1 1 98 98 ASN CB C 13 39.010 0.001 . 1 . . . . . 97 ASN CB . 27056 1 706 . 1 1 98 98 ASN N N 15 123.441 0.018 . 1 . . . . . 97 ASN N . 27056 1 707 . 1 1 99 99 VAL H H 1 8.335 0.002 . 1 . . . . . 98 VAL HN . 27056 1 708 . 1 1 99 99 VAL HA H 1 4.169 0.005 . 1 . . . . . 98 VAL HA . 27056 1 709 . 1 1 99 99 VAL HB H 1 2.125 0.001 . 1 . . . . . 98 VAL HB . 27056 1 710 . 1 1 99 99 VAL C C 13 176.326 0.007 . 1 . . . . . 98 VAL C . 27056 1 711 . 1 1 99 99 VAL CA C 13 62.361 0.013 . 1 . . . . . 98 VAL CA . 27056 1 712 . 1 1 99 99 VAL CB C 13 32.697 0.013 . 1 . . . . . 98 VAL CB . 27056 1 713 . 1 1 99 99 VAL N N 15 121.202 0.031 . 1 . . . . . 98 VAL N . 27056 1 714 . 1 1 100 100 SER H H 1 8.511 0.002 . 1 . . . . . 99 SER HN . 27056 1 715 . 1 1 100 100 SER HA H 1 4.454 0.006 . 1 . . . . . 99 SER HA . 27056 1 716 . 1 1 100 100 SER HB2 H 1 3.877 0.001 . 1 . . . . . 99 SER HB2 . 27056 1 717 . 1 1 100 100 SER C C 13 174.567 0.005 . 1 . . . . . 99 SER C . 27056 1 718 . 1 1 100 100 SER CA C 13 58.573 0.014 . 1 . . . . . 99 SER CA . 27056 1 719 . 1 1 100 100 SER CB C 13 63.718 0.004 . 1 . . . . . 99 SER CB . 27056 1 720 . 1 1 100 100 SER N N 15 119.521 0.012 . 1 . . . . . 99 SER N . 27056 1 721 . 1 1 101 101 GLN H H 1 8.514 0.002 . 1 . . . . . 100 GLN HN . 27056 1 722 . 1 1 101 101 GLN HA H 1 4.428 0.008 . 1 . . . . . 100 GLN HA . 27056 1 723 . 1 1 101 101 GLN HB2 H 1 2.149 0.004 . 1 . . . . . 100 GLN HB2 . 27056 1 724 . 1 1 101 101 GLN HB3 H 1 1.994 0.000 . 1 . . . . . 100 GLN HB3 . 27056 1 725 . 1 1 101 101 GLN C C 13 176.120 0.000 . 1 . . . . . 100 GLN C . 27056 1 726 . 1 1 101 101 GLN CA C 13 55.871 0.030 . 1 . . . . . 100 GLN CA . 27056 1 727 . 1 1 101 101 GLN CB C 13 29.612 0.005 . 1 . . . . . 100 GLN CB . 27056 1 728 . 1 1 101 101 GLN N N 15 122.608 0.027 . 1 . . . . . 100 GLN N . 27056 1 729 . 1 1 102 102 THR H H 1 8.329 0.003 . 1 . . . . . 101 THR HN . 27056 1 730 . 1 1 102 102 THR HA H 1 4.371 0.001 . 1 . . . . . 101 THR HA . 27056 1 731 . 1 1 102 102 THR HB H 1 4.210 0.002 . 1 . . . . . 101 THR HB . 27056 1 732 . 1 1 102 102 THR C C 13 174.617 0.005 . 1 . . . . . 101 THR C . 27056 1 733 . 1 1 102 102 THR CA C 13 61.991 0.007 . 1 . . . . . 101 THR CA . 27056 1 734 . 1 1 102 102 THR CB C 13 69.972 0.021 . 1 . . . . . 101 THR CB . 27056 1 735 . 1 1 102 102 THR N N 15 116.318 0.028 . 1 . . . . . 101 THR N . 27056 1 736 . 1 1 103 103 VAL H H 1 8.375 0.001 . 1 . . . . . 102 VAL HN . 27056 1 737 . 1 1 103 103 VAL HA H 1 4.129 0.007 . 1 . . . . . 102 VAL HA . 27056 1 738 . 1 1 103 103 VAL HB H 1 2.075 0.001 . 1 . . . . . 102 VAL HB . 27056 1 739 . 1 1 103 103 VAL C C 13 176.404 0.010 . 1 . . . . . 102 VAL C . 27056 1 740 . 1 1 103 103 VAL CA C 13 62.512 0.029 . 1 . . . . . 102 VAL CA . 27056 1 741 . 1 1 103 103 VAL CB C 13 32.746 0.026 . 1 . . . . . 102 VAL CB . 27056 1 742 . 1 1 103 103 VAL N N 15 123.195 0.015 . 1 . . . . . 102 VAL N . 27056 1 743 . 1 1 104 104 GLU H H 1 8.674 0.002 . 1 . . . . . 103 GLU HN . 27056 1 744 . 1 1 104 104 GLU HA H 1 4.278 0.006 . 1 . . . . . 103 GLU HA . 27056 1 745 . 1 1 104 104 GLU HB2 H 1 1.976 0.002 . 1 . . . . . 103 GLU HB2 . 27056 1 746 . 1 1 104 104 GLU HB3 H 1 2.049 0.000 . 1 . . . . . 103 GLU HB3 . 27056 1 747 . 1 1 104 104 GLU C C 13 177.225 0.006 . 1 . . . . . 103 GLU C . 27056 1 748 . 1 1 104 104 GLU CA C 13 57.017 0.015 . 1 . . . . . 103 GLU CA . 27056 1 749 . 1 1 104 104 GLU CB C 13 30.242 0.001 . 1 . . . . . 103 GLU CB . 27056 1 750 . 1 1 104 104 GLU N N 15 125.250 0.010 . 1 . . . . . 103 GLU N . 27056 1 751 . 1 1 105 105 GLY H H 1 8.562 0.002 . 1 . . . . . 104 GLY HN . 27056 1 752 . 1 1 105 105 GLY HA2 H 1 4.021 0.001 . 1 . . . . . 104 GLY HA1 . 27056 1 753 . 1 1 105 105 GLY C C 13 174.659 0.000 . 1 . . . . . 104 GLY C . 27056 1 754 . 1 1 105 105 GLY CA C 13 45.516 0.004 . 1 . . . . . 104 GLY CA . 27056 1 755 . 1 1 105 105 GLY N N 15 110.307 0.013 . 1 . . . . . 104 GLY N . 27056 1 756 . 1 1 106 106 THR H H 1 8.165 0.004 . 1 . . . . . 105 THR HN . 27056 1 757 . 1 1 106 106 THR HA H 1 4.387 0.006 . 1 . . . . . 105 THR HA . 27056 1 758 . 1 1 106 106 THR HB H 1 4.287 0.006 . 1 . . . . . 105 THR HB . 27056 1 759 . 1 1 106 106 THR C C 13 175.094 0.012 . 1 . . . . . 105 THR C . 27056 1 760 . 1 1 106 106 THR CA C 13 62.125 0.013 . 1 . . . . . 105 THR CA . 27056 1 761 . 1 1 106 106 THR CB C 13 69.921 0.002 . 1 . . . . . 105 THR CB . 27056 1 762 . 1 1 106 106 THR N N 15 113.476 0.007 . 1 . . . . . 105 THR N . 27056 1 763 . 1 1 107 107 SER H H 1 8.474 0.003 . 1 . . . . . 106 SER HN . 27056 1 764 . 1 1 107 107 SER HA H 1 4.472 0.007 . 1 . . . . . 106 SER HA . 27056 1 765 . 1 1 107 107 SER HB2 H 1 3.913 0.000 . 1 . . . . . 106 SER HB2 . 27056 1 766 . 1 1 107 107 SER C C 13 175.011 0.006 . 1 . . . . . 106 SER C . 27056 1 767 . 1 1 107 107 SER CA C 13 58.657 0.036 . 1 . . . . . 106 SER CA . 27056 1 768 . 1 1 107 107 SER CB C 13 63.737 0.025 . 1 . . . . . 106 SER CB . 27056 1 769 . 1 1 107 107 SER N N 15 118.242 0.012 . 1 . . . . . 106 SER N . 27056 1 770 . 1 1 108 108 ARG H H 1 8.486 0.002 . 1 . . . . . 107 ARG HN . 27056 1 771 . 1 1 108 108 ARG HA H 1 4.323 0.004 . 1 . . . . . 107 ARG HA . 27056 1 772 . 1 1 108 108 ARG HB2 H 1 1.872 0.002 . 1 . . . . . 107 ARG HB2 . 27056 1 773 . 1 1 108 108 ARG HB3 H 1 1.776 0.002 . 1 . . . . . 107 ARG HB3 . 27056 1 774 . 1 1 108 108 ARG C C 13 176.356 0.003 . 1 . . . . . 107 ARG C . 27056 1 775 . 1 1 108 108 ARG CA C 13 56.623 0.018 . 1 . . . . . 107 ARG CA . 27056 1 776 . 1 1 108 108 ARG CB C 13 30.512 0.002 . 1 . . . . . 107 ARG CB . 27056 1 777 . 1 1 108 108 ARG N N 15 122.948 0.019 . 1 . . . . . 107 ARG N . 27056 1 778 . 1 1 109 109 ASN H H 1 8.454 0.003 . 1 . . . . . 108 ASN HN . 27056 1 779 . 1 1 109 109 ASN HA H 1 4.744 0.006 . 1 . . . . . 108 ASN HA . 27056 1 780 . 1 1 109 109 ASN HB2 H 1 2.765 0.000 . 1 . . . . . 108 ASN HB2 . 27056 1 781 . 1 1 109 109 ASN HB3 H 1 2.873 0.001 . 1 . . . . . 108 ASN HB3 . 27056 1 782 . 1 1 109 109 ASN C C 13 175.385 0.005 . 1 . . . . . 108 ASN C . 27056 1 783 . 1 1 109 109 ASN CA C 13 53.311 0.021 . 1 . . . . . 108 ASN CA . 27056 1 784 . 1 1 109 109 ASN CB C 13 38.824 0.003 . 1 . . . . . 108 ASN CB . 27056 1 785 . 1 1 109 109 ASN N N 15 119.183 0.009 . 1 . . . . . 108 ASN N . 27056 1 786 . 1 1 110 110 SER H H 1 8.290 0.003 . 1 . . . . . 109 SER HN . 27056 1 787 . 1 1 110 110 SER HA H 1 4.405 0.008 . 1 . . . . . 109 SER HA . 27056 1 788 . 1 1 110 110 SER HB2 H 1 3.895 0.000 . 1 . . . . . 109 SER HB2 . 27056 1 789 . 1 1 110 110 SER C C 13 174.591 0.000 . 1 . . . . . 109 SER C . 27056 1 790 . 1 1 110 110 SER CA C 13 58.709 0.019 . 1 . . . . . 109 SER CA . 27056 1 791 . 1 1 110 110 SER CB C 13 63.816 0.010 . 1 . . . . . 109 SER CB . 27056 1 792 . 1 1 110 110 SER N N 15 116.622 0.019 . 1 . . . . . 109 SER N . 27056 1 793 . 1 1 111 111 LYS H H 1 8.386 0.001 . 1 . . . . . 110 LYS HN . 27056 1 794 . 1 1 111 111 LYS HA H 1 4.307 0.004 . 1 . . . . . 110 LYS HA . 27056 1 795 . 1 1 111 111 LYS HB2 H 1 1.763 0.002 . 1 . . . . . 110 LYS HB2 . 27056 1 796 . 1 1 111 111 LYS HB3 H 1 1.851 0.002 . 1 . . . . . 110 LYS HB3 . 27056 1 797 . 1 1 111 111 LYS C C 13 176.575 0.008 . 1 . . . . . 110 LYS C . 27056 1 798 . 1 1 111 111 LYS CA C 13 56.473 0.003 . 1 . . . . . 110 LYS CA . 27056 1 799 . 1 1 111 111 LYS CB C 13 32.886 0.001 . 1 . . . . . 110 LYS CB . 27056 1 800 . 1 1 111 111 LYS N N 15 123.201 0.003 . 1 . . . . . 110 LYS N . 27056 1 801 . 1 1 112 112 LYS H H 1 8.313 0.000 . 1 . . . . . 111 LYS HN . 27056 1 802 . 1 1 112 112 LYS HA H 1 4.306 0.003 . 1 . . . . . 111 LYS HA . 27056 1 803 . 1 1 112 112 LYS HB2 H 1 1.770 0.000 . 1 . . . . . 111 LYS HB2 . 27056 1 804 . 1 1 112 112 LYS C C 13 176.535 0.008 . 1 . . . . . 111 LYS C . 27056 1 805 . 1 1 112 112 LYS CA C 13 56.459 0.015 . 1 . . . . . 111 LYS CA . 27056 1 806 . 1 1 112 112 LYS CB C 13 33.114 0.000 . 1 . . . . . 111 LYS CB . 27056 1 807 . 1 1 112 112 LYS N N 15 123.087 0.020 . 1 . . . . . 111 LYS N . 27056 1 808 . 1 1 113 113 VAL H H 1 8.294 0.001 . 1 . . . . . 112 VAL HN . 27056 1 809 . 1 1 113 113 VAL HA H 1 4.063 0.006 . 1 . . . . . 112 VAL HA . 27056 1 810 . 1 1 113 113 VAL HB H 1 2.035 0.000 . 1 . . . . . 112 VAL HB . 27056 1 811 . 1 1 113 113 VAL C C 13 176.214 0.006 . 1 . . . . . 112 VAL C . 27056 1 812 . 1 1 113 113 VAL CA C 13 62.413 0.007 . 1 . . . . . 112 VAL CA . 27056 1 813 . 1 1 113 113 VAL CB C 13 32.730 0.000 . 1 . . . . . 112 VAL CB . 27056 1 814 . 1 1 113 113 VAL N N 15 123.001 0.033 . 1 . . . . . 112 VAL N . 27056 1 815 . 1 1 114 114 LEU H H 1 8.462 0.001 . 1 . . . . . 113 LEU HN . 27056 1 816 . 1 1 114 114 LEU HA H 1 4.373 0.005 . 1 . . . . . 113 LEU HA . 27056 1 817 . 1 1 114 114 LEU HB2 H 1 1.637 0.000 . 1 . . . . . 113 LEU HB2 . 27056 1 818 . 1 1 114 114 LEU HB3 H 1 1.600 0.007 . 1 . . . . . 113 LEU HB3 . 27056 1 819 . 1 1 114 114 LEU C C 13 177.201 0.005 . 1 . . . . . 113 LEU C . 27056 1 820 . 1 1 114 114 LEU CA C 13 54.958 0.015 . 1 . . . . . 113 LEU CA . 27056 1 821 . 1 1 114 114 LEU CB C 13 42.379 0.001 . 1 . . . . . 113 LEU CB . 27056 1 822 . 1 1 114 114 LEU N N 15 126.985 0.010 . 1 . . . . . 113 LEU N . 27056 1 823 . 1 1 115 115 ALA H H 1 8.437 0.002 . 1 . . . . . 114 ALA HN . 27056 1 824 . 1 1 115 115 ALA HA H 1 4.323 0.005 . 1 . . . . . 114 ALA HA . 27056 1 825 . 1 1 115 115 ALA HB1 H 1 1.419 0.000 . 1 . . . . . 114 ALA HB . 27056 1 826 . 1 1 115 115 ALA HB2 H 1 1.419 0.000 . 1 . . . . . 114 ALA HB . 27056 1 827 . 1 1 115 115 ALA HB3 H 1 1.419 0.000 . 1 . . . . . 114 ALA HB . 27056 1 828 . 1 1 115 115 ALA C C 13 178.032 0.000 . 1 . . . . . 114 ALA C . 27056 1 829 . 1 1 115 115 ALA CA C 13 52.734 0.020 . 1 . . . . . 114 ALA CA . 27056 1 830 . 1 1 115 115 ALA CB C 13 19.201 0.002 . 1 . . . . . 114 ALA CB . 27056 1 831 . 1 1 115 115 ALA N N 15 125.495 0.011 . 1 . . . . . 114 ALA N . 27056 1 832 . 1 1 116 116 SER H H 1 8.398 0.002 . 1 . . . . . 115 SER HN . 27056 1 833 . 1 1 116 116 SER HA H 1 4.480 0.006 . 1 . . . . . 115 SER HA . 27056 1 834 . 1 1 116 116 SER HB2 H 1 3.948 0.010 . 1 . . . . . 115 SER HB2 . 27056 1 835 . 1 1 116 116 SER HB3 H 1 3.879 0.013 . 1 . . . . . 115 SER HB3 . 27056 1 836 . 1 1 116 116 SER C C 13 175.146 0.005 . 1 . . . . . 115 SER C . 27056 1 837 . 1 1 116 116 SER CA C 13 58.508 0.021 . 1 . . . . . 115 SER CA . 27056 1 838 . 1 1 116 116 SER CB C 13 63.735 0.003 . 1 . . . . . 115 SER CB . 27056 1 839 . 1 1 116 116 SER N N 15 115.042 0.009 . 1 . . . . . 115 SER N . 27056 1 840 . 1 1 117 117 THR H H 1 8.211 0.003 . 1 . . . . . 116 THR HN . 27056 1 841 . 1 1 117 117 THR HA H 1 4.368 0.005 . 1 . . . . . 116 THR HA . 27056 1 842 . 1 1 117 117 THR HB H 1 4.290 0.000 . 1 . . . . . 116 THR HB . 27056 1 843 . 1 1 117 117 THR C C 13 174.816 0.008 . 1 . . . . . 116 THR C . 27056 1 844 . 1 1 117 117 THR CA C 13 62.139 0.020 . 1 . . . . . 116 THR CA . 27056 1 845 . 1 1 117 117 THR CB C 13 69.681 0.001 . 1 . . . . . 116 THR CB . 27056 1 846 . 1 1 117 117 THR N N 15 115.720 0.007 . 1 . . . . . 116 THR N . 27056 1 847 . 1 1 118 118 MET H H 1 8.366 0.002 . 1 . . . . . 117 MET HN . 27056 1 848 . 1 1 118 118 MET HA H 1 4.530 0.006 . 1 . . . . . 117 MET HA . 27056 1 849 . 1 1 118 118 MET HB2 H 1 2.128 0.002 . 1 . . . . . 117 MET HB2 . 27056 1 850 . 1 1 118 118 MET HB3 H 1 2.026 0.003 . 1 . . . . . 117 MET HB3 . 27056 1 851 . 1 1 118 118 MET C C 13 176.394 0.004 . 1 . . . . . 117 MET C . 27056 1 852 . 1 1 118 118 MET CA C 13 55.674 0.016 . 1 . . . . . 117 MET CA . 27056 1 853 . 1 1 118 118 MET CB C 13 32.760 0.008 . 1 . . . . . 117 MET CB . 27056 1 854 . 1 1 118 118 MET N N 15 122.462 0.048 . 1 . . . . . 117 MET N . 27056 1 855 . 1 1 119 119 SER H H 1 8.382 0.002 . 1 . . . . . 118 SER HN . 27056 1 856 . 1 1 119 119 SER HA H 1 4.440 0.007 . 1 . . . . . 118 SER HA . 27056 1 857 . 1 1 119 119 SER HB2 H 1 3.885 0.001 . 1 . . . . . 118 SER HB2 . 27056 1 858 . 1 1 119 119 SER C C 13 174.390 0.001 . 1 . . . . . 118 SER C . 27056 1 859 . 1 1 119 119 SER CA C 13 58.433 0.015 . 1 . . . . . 118 SER CA . 27056 1 860 . 1 1 119 119 SER CB C 13 63.868 0.007 . 1 . . . . . 118 SER CB . 27056 1 861 . 1 1 119 119 SER N N 15 117.268 0.009 . 1 . . . . . 118 SER N . 27056 1 862 . 1 1 120 120 ALA H H 1 8.448 0.001 . 1 . . . . . 119 ALA HN . 27056 1 863 . 1 1 120 120 ALA HA H 1 4.338 0.007 . 1 . . . . . 119 ALA HA . 27056 1 864 . 1 1 120 120 ALA HB1 H 1 1.411 0.001 . 1 . . . . . 119 ALA HB . 27056 1 865 . 1 1 120 120 ALA HB2 H 1 1.411 0.001 . 1 . . . . . 119 ALA HB . 27056 1 866 . 1 1 120 120 ALA HB3 H 1 1.411 0.001 . 1 . . . . . 119 ALA HB . 27056 1 867 . 1 1 120 120 ALA C C 13 177.705 0.000 . 1 . . . . . 119 ALA C . 27056 1 868 . 1 1 120 120 ALA CA C 13 52.670 0.007 . 1 . . . . . 119 ALA CA . 27056 1 869 . 1 1 120 120 ALA CB C 13 19.158 0.001 . 1 . . . . . 119 ALA CB . 27056 1 870 . 1 1 120 120 ALA N N 15 126.047 0.005 . 1 . . . . . 119 ALA N . 27056 1 871 . 1 1 121 121 GLN H H 1 8.402 0.002 . 1 . . . . . 120 GLN HN . 27056 1 872 . 1 1 121 121 GLN HA H 1 4.343 0.005 . 1 . . . . . 120 GLN HA . 27056 1 873 . 1 1 121 121 GLN HB2 H 1 2.129 0.000 . 1 . . . . . 120 GLN HB2 . 27056 1 874 . 1 1 121 121 GLN HB3 H 1 1.990 0.002 . 1 . . . . . 120 GLN HB3 . 27056 1 875 . 1 1 121 121 GLN C C 13 175.745 0.005 . 1 . . . . . 120 GLN C . 27056 1 876 . 1 1 121 121 GLN CA C 13 55.821 0.013 . 1 . . . . . 120 GLN CA . 27056 1 877 . 1 1 121 121 GLN CB C 13 29.540 0.001 . 1 . . . . . 120 GLN CB . 27056 1 878 . 1 1 121 121 GLN N N 15 119.193 0.003 . 1 . . . . . 120 GLN N . 27056 1 879 . 1 1 122 122 ASN H H 1 8.533 0.003 . 1 . . . . . 121 ASN HN . 27056 1 880 . 1 1 122 122 ASN HA H 1 4.803 0.005 . 1 . . . . . 121 ASN HA . 27056 1 881 . 1 1 122 122 ASN HB2 H 1 2.888 0.000 . 1 . . . . . 121 ASN HB2 . 27056 1 882 . 1 1 122 122 ASN HB3 H 1 2.778 0.002 . 1 . . . . . 121 ASN HB3 . 27056 1 883 . 1 1 122 122 ASN C C 13 174.546 0.005 . 1 . . . . . 121 ASN C . 27056 1 884 . 1 1 122 122 ASN CA C 13 53.461 0.012 . 1 . . . . . 121 ASN CA . 27056 1 885 . 1 1 122 122 ASN CB C 13 38.938 0.007 . 1 . . . . . 121 ASN CB . 27056 1 886 . 1 1 122 122 ASN N N 15 120.113 0.009 . 1 . . . . . 121 ASN N . 27056 1 887 . 1 1 123 123 THR H H 1 7.824 0.004 . 1 . . . . . 122 THR HN . 27056 1 888 . 1 1 123 123 THR HA H 1 4.156 0.000 . 1 . . . . . 122 THR HA . 27056 1 889 . 1 1 123 123 THR HB H 1 4.253 0.000 . 1 . . . . . 122 THR HB . 27056 1 890 . 1 1 123 123 THR C C 13 179.304 0.000 . 1 . . . . . 122 THR C . 27056 1 891 . 1 1 123 123 THR CA C 13 63.273 0.003 . 1 . . . . . 122 THR CA . 27056 1 892 . 1 1 123 123 THR CB C 13 70.804 0.000 . 1 . . . . . 122 THR CB . 27056 1 893 . 1 1 123 123 THR N N 15 119.029 0.005 . 1 . . . . . 122 THR N . 27056 1 stop_ save_