data_6575 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6575 _Entry.Title ; Backbone and side-chain chemical shift assignments for Human Nck2 SH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-01 _Entry.Accession_date 2005-04-01 _Entry.Last_release_date 2005-06-02 _Entry.Original_release_date 2005-06-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xiaoyuan Ran . . . 6575 2 Jianxing Song . . . 6575 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6575 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 6575 '15N chemical shifts' 92 6575 '1H chemical shifts' 433 6575 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-06-02 2005-04-01 original author . 6575 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6575 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15764601 _Citation.Full_citation . _Citation.Title 'Structural Insight into the Binding Diversity between the Tyr-phosphorylated Human EphrinBs and Nck2 SH2 Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 19205 _Citation.Page_last 19212 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiaoyuan Ran . . . 6575 1 2 Jianxing Song . . . 6575 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6575 _Assembly.ID 1 _Assembly.Name 'Nck2 SH2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'Nck2 SH2 domain' 1 $Human_Nck2_SH2_domain . . yes native no no . 'Binding to human Tyr-phosphorylated ephrinBs' . 6575 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_Nck2_SH2_domain _Entity.Sf_category entity _Entity.Sf_framecode Human_Nck2_SH2_domain _Entity.Entry_ID 6575 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nck2 SH2 domain' _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 ; REWYYGNVTRHQAECALNER GVEGDFLIRDSESSPSDFSV SLKASGKNKHFKVQLVDNVY CIGQRRFHTMDELVEHYKKA PIFTSEHGEKLYLVRALQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1Z3K . "Structural Insight Into The Binding Diversity Between The Tyr-Phosphorylated Human Ephrinbs And Nck2 Sh2 Domain" . . . . . 100.00 98 100.00 100.00 1.42e-66 . . . . 6575 1 2 no PDB 2CIA . "Human Nck2 Sh2-Domain In Complex With A Decaphosphopeptide From Translocated Intimin Receptor (Tir) Of Epec" . . . . . 98.98 102 100.00 100.00 1.32e-65 . . . . 6575 1 3 no DBJ BAI47129 . "NCK adaptor protein 2 [synthetic construct]" . . . . . 100.00 380 100.00 100.00 6.53e-64 . . . . 6575 1 4 no EMBL CAG31895 . "hypothetical protein RCJMB04_13d16 [Gallus gallus]" . . . . . 100.00 380 96.94 100.00 1.84e-62 . . . . 6575 1 5 no GB AAC04831 . "SH2/SH3 adaptor protein NCK-beta [Homo sapiens]" . . . . . 100.00 381 98.98 100.00 1.86e-63 . . . . 6575 1 6 no GB AAC06353 . "SH2/SH3 adaptor protein [Mus musculus]" . . . . . 100.00 380 96.94 100.00 3.77e-62 . . . . 6575 1 7 no GB AAC80284 . "Nck-2 [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 6.46e-64 . . . . 6575 1 8 no GB AAH00103 . "NCK adaptor protein 2 [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 6.53e-64 . . . . 6575 1 9 no GB AAH07195 . "NCK adaptor protein 2 [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 6.53e-64 . . . . 6575 1 10 no PIR B46243 . "epidermal growth factor-receptor-binding protein GRB-4 - mouse (fragment)" . . . . . 100.00 157 96.94 100.00 5.78e-64 . . . . 6575 1 11 no REF NP_001004720 . "cytoplasmic protein NCK2 isoform A [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 6.53e-64 . . . . 6575 1 12 no REF NP_001025985 . "cytoplasmic protein NCK2 [Gallus gallus]" . . . . . 100.00 380 96.94 100.00 1.84e-62 . . . . 6575 1 13 no REF NP_001092506 . "cytoplasmic protein NCK2 [Bos taurus]" . . . . . 100.00 376 96.94 98.98 1.45e-62 . . . . 6575 1 14 no REF NP_001101686 . "cytoplasmic protein NCK2 [Rattus norvegicus]" . . . . . 100.00 380 96.94 100.00 3.69e-62 . . . . 6575 1 15 no REF NP_001131103 . "cytoplasmic protein NCK2 [Sus scrofa]" . . . . . 100.00 376 96.94 98.98 2.08e-62 . . . . 6575 1 16 no SP O43639 . "RecName: Full=Cytoplasmic protein NCK2; AltName: Full=Growth factor receptor-bound protein 4; AltName: Full=NCK adaptor protein" . . . . . 100.00 380 100.00 100.00 6.53e-64 . . . . 6575 1 17 no SP O55033 . "RecName: Full=Cytoplasmic protein NCK2; AltName: Full=Growth factor receptor-bound protein 4; AltName: Full=NCK adaptor protein" . . . . . 100.00 380 96.94 100.00 3.77e-62 . . . . 6575 1 18 no TPG DAA24593 . "TPA: NCK adaptor protein 2 [Bos taurus]" . . . . . 100.00 376 96.94 98.98 1.45e-62 . . . . 6575 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 . ARG . 6575 1 2 . GLU . 6575 1 3 . TRP . 6575 1 4 . TYR . 6575 1 5 . TYR . 6575 1 6 . GLY . 6575 1 7 . ASN . 6575 1 8 . VAL . 6575 1 9 . THR . 6575 1 10 . ARG . 6575 1 11 . HIS . 6575 1 12 . GLN . 6575 1 13 . ALA . 6575 1 14 . GLU . 6575 1 15 . CYS . 6575 1 16 . ALA . 6575 1 17 . LEU . 6575 1 18 . ASN . 6575 1 19 . GLU . 6575 1 20 . ARG . 6575 1 21 . GLY . 6575 1 22 . VAL . 6575 1 23 . GLU . 6575 1 24 . GLY . 6575 1 25 . ASP . 6575 1 26 . PHE . 6575 1 27 . LEU . 6575 1 28 . ILE . 6575 1 29 . ARG . 6575 1 30 . ASP . 6575 1 31 . SER . 6575 1 32 . GLU . 6575 1 33 . SER . 6575 1 34 . SER . 6575 1 35 . PRO . 6575 1 36 . SER . 6575 1 37 . ASP . 6575 1 38 . PHE . 6575 1 39 . SER . 6575 1 40 . VAL . 6575 1 41 . SER . 6575 1 42 . LEU . 6575 1 43 . LYS . 6575 1 44 . ALA . 6575 1 45 . SER . 6575 1 46 . GLY . 6575 1 47 . LYS . 6575 1 48 . ASN . 6575 1 49 . LYS . 6575 1 50 . HIS . 6575 1 51 . PHE . 6575 1 52 . LYS . 6575 1 53 . VAL . 6575 1 54 . GLN . 6575 1 55 . LEU . 6575 1 56 . VAL . 6575 1 57 . ASP . 6575 1 58 . ASN . 6575 1 59 . VAL . 6575 1 60 . TYR . 6575 1 61 . CYS . 6575 1 62 . ILE . 6575 1 63 . GLY . 6575 1 64 . GLN . 6575 1 65 . ARG . 6575 1 66 . ARG . 6575 1 67 . PHE . 6575 1 68 . HIS . 6575 1 69 . THR . 6575 1 70 . MET . 6575 1 71 . ASP . 6575 1 72 . GLU . 6575 1 73 . LEU . 6575 1 74 . VAL . 6575 1 75 . GLU . 6575 1 76 . HIS . 6575 1 77 . TYR . 6575 1 78 . LYS . 6575 1 79 . LYS . 6575 1 80 . ALA . 6575 1 81 . PRO . 6575 1 82 . ILE . 6575 1 83 . PHE . 6575 1 84 . THR . 6575 1 85 . SER . 6575 1 86 . GLU . 6575 1 87 . HIS . 6575 1 88 . GLY . 6575 1 89 . GLU . 6575 1 90 . LYS . 6575 1 91 . LEU . 6575 1 92 . TYR . 6575 1 93 . LEU . 6575 1 94 . VAL . 6575 1 95 . ARG . 6575 1 96 . ALA . 6575 1 97 . LEU . 6575 1 98 . GLN . 6575 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 . ARG 1 1 6575 1 . GLU 2 2 6575 1 . TRP 3 3 6575 1 . TYR 4 4 6575 1 . TYR 5 5 6575 1 . GLY 6 6 6575 1 . ASN 7 7 6575 1 . VAL 8 8 6575 1 . THR 9 9 6575 1 . ARG 10 10 6575 1 . HIS 11 11 6575 1 . GLN 12 12 6575 1 . ALA 13 13 6575 1 . GLU 14 14 6575 1 . CYS 15 15 6575 1 . ALA 16 16 6575 1 . LEU 17 17 6575 1 . ASN 18 18 6575 1 . GLU 19 19 6575 1 . ARG 20 20 6575 1 . GLY 21 21 6575 1 . VAL 22 22 6575 1 . GLU 23 23 6575 1 . GLY 24 24 6575 1 . ASP 25 25 6575 1 . PHE 26 26 6575 1 . LEU 27 27 6575 1 . ILE 28 28 6575 1 . ARG 29 29 6575 1 . ASP 30 30 6575 1 . SER 31 31 6575 1 . GLU 32 32 6575 1 . SER 33 33 6575 1 . SER 34 34 6575 1 . PRO 35 35 6575 1 . SER 36 36 6575 1 . ASP 37 37 6575 1 . PHE 38 38 6575 1 . SER 39 39 6575 1 . VAL 40 40 6575 1 . SER 41 41 6575 1 . LEU 42 42 6575 1 . LYS 43 43 6575 1 . ALA 44 44 6575 1 . SER 45 45 6575 1 . GLY 46 46 6575 1 . LYS 47 47 6575 1 . ASN 48 48 6575 1 . LYS 49 49 6575 1 . HIS 50 50 6575 1 . PHE 51 51 6575 1 . LYS 52 52 6575 1 . VAL 53 53 6575 1 . GLN 54 54 6575 1 . LEU 55 55 6575 1 . VAL 56 56 6575 1 . ASP 57 57 6575 1 . ASN 58 58 6575 1 . VAL 59 59 6575 1 . TYR 60 60 6575 1 . CYS 61 61 6575 1 . ILE 62 62 6575 1 . GLY 63 63 6575 1 . GLN 64 64 6575 1 . ARG 65 65 6575 1 . ARG 66 66 6575 1 . PHE 67 67 6575 1 . HIS 68 68 6575 1 . THR 69 69 6575 1 . MET 70 70 6575 1 . ASP 71 71 6575 1 . GLU 72 72 6575 1 . LEU 73 73 6575 1 . VAL 74 74 6575 1 . GLU 75 75 6575 1 . HIS 76 76 6575 1 . TYR 77 77 6575 1 . LYS 78 78 6575 1 . LYS 79 79 6575 1 . ALA 80 80 6575 1 . PRO 81 81 6575 1 . ILE 82 82 6575 1 . PHE 83 83 6575 1 . THR 84 84 6575 1 . SER 85 85 6575 1 . GLU 86 86 6575 1 . HIS 87 87 6575 1 . GLY 88 88 6575 1 . GLU 89 89 6575 1 . LYS 90 90 6575 1 . LEU 91 91 6575 1 . TYR 92 92 6575 1 . LEU 93 93 6575 1 . VAL 94 94 6575 1 . ARG 95 95 6575 1 . ALA 96 96 6575 1 . LEU 97 97 6575 1 . GLN 98 98 6575 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 6575 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Human_Nck2_SH2_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo human . . . . . . . . . . . . . . . . . . . . . 6575 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 6575 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Human_Nck2_SH2_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6575 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6575 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nck2 SH2 domain' . 1 $assembly 1 $Human_Nck2_SH2_domain . . . . . mM . . . . 6575 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6575 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 6575 1 pressure 1 0.1 atm 6575 1 temperature 293 0.5 K 6575 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6575 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6575 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6575 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6575 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6575 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6575 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG CA C 13 54.249 . . 1 . . . . 1 ARG CA . 6575 1 2 . 1 1 1 1 ARG CB C 13 30.640 . . 1 . . . . 1 ARG CB . 6575 1 3 . 1 1 2 2 GLU H H 1 8.856 . . 1 . . . . 2 GLU HN . 6575 1 4 . 1 1 2 2 GLU C C 13 172.947 . . 1 . . . . 2 GLU C . 6575 1 5 . 1 1 2 2 GLU CA C 13 58.788 . . 1 . . . . 2 GLU CA . 6575 1 6 . 1 1 2 2 GLU CB C 13 29.073 . . 1 . . . . 2 GLU CB . 6575 1 7 . 1 1 2 2 GLU CG C 13 36.029 . . 1 . . . . 2 GLU CG . 6575 1 8 . 1 1 2 2 GLU N N 15 121.919 . . 1 . . . . 2 GLU N . 6575 1 9 . 1 1 3 3 TRP H H 1 6.130 . . 1 . . . . 3 TRP HN . 6575 1 10 . 1 1 3 3 TRP HA H 1 4.481 . . 1 . . . . 3 TRP HA . 6575 1 11 . 1 1 3 3 TRP HB2 H 1 2.710 . . 2 . . . . 3 TRP HB1 . 6575 1 12 . 1 1 3 3 TRP HB3 H 1 3.464 . . 2 . . . . 3 TRP HB2 . 6575 1 13 . 1 1 3 3 TRP C C 13 173.866 . . 1 . . . . 3 TRP C . 6575 1 14 . 1 1 3 3 TRP CA C 13 53.846 . . 1 . . . . 3 TRP CA . 6575 1 15 . 1 1 3 3 TRP CB C 13 31.279 . . 1 . . . . 3 TRP CB . 6575 1 16 . 1 1 3 3 TRP N N 15 109.462 . . 1 . . . . 3 TRP N . 6575 1 17 . 1 1 4 4 TYR H H 1 7.511 . . 1 . . . . 4 TYR HN . 6575 1 18 . 1 1 4 4 TYR HA H 1 5.271 . . 1 . . . . 4 TYR HA . 6575 1 19 . 1 1 4 4 TYR HB2 H 1 2.507 . . 2 . . . . 4 TYR HB1 . 6575 1 20 . 1 1 4 4 TYR HB3 H 1 2.766 . . 2 . . . . 4 TYR HB2 . 6575 1 21 . 1 1 4 4 TYR C C 13 172.030 . . 1 . . . . 4 TYR C . 6575 1 22 . 1 1 4 4 TYR CA C 13 57.240 . . 1 . . . . 4 TYR CA . 6575 1 23 . 1 1 4 4 TYR CB C 13 37.295 . . 1 . . . . 4 TYR CB . 6575 1 24 . 1 1 4 4 TYR N N 15 121.620 . . 1 . . . . 4 TYR N . 6575 1 25 . 1 1 5 5 TYR H H 1 9.230 . . 1 . . . . 5 TYR HN . 6575 1 26 . 1 1 5 5 TYR HA H 1 4.161 . . 1 . . . . 5 TYR HA . 6575 1 27 . 1 1 5 5 TYR HB2 H 1 2.640 . . 2 . . . . 5 TYR HB1 . 6575 1 28 . 1 1 5 5 TYR HB3 H 1 2.908 . . 2 . . . . 5 TYR HB2 . 6575 1 29 . 1 1 5 5 TYR CA C 13 58.000 . . 1 . . . . 5 TYR CA . 6575 1 30 . 1 1 5 5 TYR CB C 13 40.000 . . 1 . . . . 5 TYR CB . 6575 1 31 . 1 1 5 5 TYR N N 15 130.060 . . 1 . . . . 5 TYR N . 6575 1 32 . 1 1 6 6 GLY HA2 H 1 3.520 . . 2 . . . . 6 GLY HA1 . 6575 1 33 . 1 1 6 6 GLY HA3 H 1 3.320 . . 2 . . . . 6 GLY HA2 . 6575 1 34 . 1 1 6 6 GLY C C 13 171.655 . . 1 . . . . 6 GLY C . 6575 1 35 . 1 1 6 6 GLY CA C 13 46.776 . . 1 . . . . 6 GLY CA . 6575 1 36 . 1 1 7 7 ASN H H 1 8.507 . . 1 . . . . 7 ASN HN . 6575 1 37 . 1 1 7 7 ASN HA H 1 4.708 . . 1 . . . . 7 ASN HA . 6575 1 38 . 1 1 7 7 ASN HB2 H 1 2.740 . . 2 . . . . 7 ASN HB1 . 6575 1 39 . 1 1 7 7 ASN C C 13 172.856 . . 1 . . . . 7 ASN C . 6575 1 40 . 1 1 7 7 ASN CA C 13 53.498 . . 1 . . . . 7 ASN CA . 6575 1 41 . 1 1 7 7 ASN CB C 13 37.049 . . 1 . . . . 7 ASN CB . 6575 1 42 . 1 1 7 7 ASN N N 15 123.464 . . 1 . . . . 7 ASN N . 6575 1 43 . 1 1 8 8 VAL H H 1 7.297 . . 1 . . . . 8 VAL HN . 6575 1 44 . 1 1 8 8 VAL HA H 1 4.456 . . 1 . . . . 8 VAL HA . 6575 1 45 . 1 1 8 8 VAL HB H 1 1.949 . . 1 . . . . 8 VAL HB . 6575 1 46 . 1 1 8 8 VAL HG11 H 1 0.885 . . 2 . . . . 8 VAL HG11 . 6575 1 47 . 1 1 8 8 VAL HG12 H 1 0.885 . . 2 . . . . 8 VAL HG11 . 6575 1 48 . 1 1 8 8 VAL HG13 H 1 0.885 . . 2 . . . . 8 VAL HG11 . 6575 1 49 . 1 1 8 8 VAL HG21 H 1 0.694 . . 2 . . . . 8 VAL HG21 . 6575 1 50 . 1 1 8 8 VAL HG22 H 1 0.694 . . 2 . . . . 8 VAL HG21 . 6575 1 51 . 1 1 8 8 VAL HG23 H 1 0.694 . . 2 . . . . 8 VAL HG21 . 6575 1 52 . 1 1 8 8 VAL C C 13 173.561 . . 1 . . . . 8 VAL C . 6575 1 53 . 1 1 8 8 VAL CA C 13 60.240 . . 1 . . . . 8 VAL CA . 6575 1 54 . 1 1 8 8 VAL CB C 13 33.827 . . 1 . . . . 8 VAL CB . 6575 1 55 . 1 1 8 8 VAL CG1 C 13 21.956 . . 1 . . . . 8 VAL CG1 . 6575 1 56 . 1 1 8 8 VAL CG2 C 13 20.371 . . 1 . . . . 8 VAL CG2 . 6575 1 57 . 1 1 8 8 VAL N N 15 117.317 . . 1 . . . . 8 VAL N . 6575 1 58 . 1 1 9 9 THR H H 1 8.508 . . 1 . . . . 9 THR HN . 6575 1 59 . 1 1 9 9 THR HA H 1 4.143 . . 1 . . . . 9 THR HA . 6575 1 60 . 1 1 9 9 THR HB H 1 4.670 . . 1 . . . . 9 THR HB . 6575 1 61 . 1 1 9 9 THR HG21 H 1 1.202 . . 1 . . . . 9 THR HG1 . 6575 1 62 . 1 1 9 9 THR HG22 H 1 1.202 . . 1 . . . . 9 THR HG1 . 6575 1 63 . 1 1 9 9 THR HG23 H 1 1.202 . . 1 . . . . 9 THR HG1 . 6575 1 64 . 1 1 9 9 THR C C 13 172.518 . . 1 . . . . 9 THR C . 6575 1 65 . 1 1 9 9 THR CA C 13 60.854 . . 1 . . . . 9 THR CA . 6575 1 66 . 1 1 9 9 THR CB C 13 71.285 . . 1 . . . . 9 THR CB . 6575 1 67 . 1 1 9 9 THR CG2 C 13 21.951 . . 1 . . . . 9 THR CG2 . 6575 1 68 . 1 1 9 9 THR N N 15 114.521 . . 1 . . . . 9 THR N . 6575 1 69 . 1 1 10 10 ARG H H 1 8.970 . . 1 . . . . 10 ARG HN . 6575 1 70 . 1 1 10 10 ARG HA H 1 3.400 . . 1 . . . . 10 ARG HA . 6575 1 71 . 1 1 10 10 ARG HB2 H 1 1.732 . . 2 . . . . 10 ARG HB1 . 6575 1 72 . 1 1 10 10 ARG HB3 H 1 1.540 . . 2 . . . . 10 ARG HB2 . 6575 1 73 . 1 1 10 10 ARG HG2 H 1 0.374 . . 2 . . . . 10 ARG HG1 . 6575 1 74 . 1 1 10 10 ARG HG3 H 1 1.100 . . 2 . . . . 10 ARG HG2 . 6575 1 75 . 1 1 10 10 ARG HD2 H 1 2.760 . . 2 . . . . 10 ARG HD2 . 6575 1 76 . 1 1 10 10 ARG C C 13 175.628 . . 1 . . . . 10 ARG C . 6575 1 77 . 1 1 10 10 ARG CA C 13 60.930 . . 1 . . . . 10 ARG CA . 6575 1 78 . 1 1 10 10 ARG CB C 13 30.240 . . 1 . . . . 10 ARG CB . 6575 1 79 . 1 1 10 10 ARG CG C 13 27.314 . . 1 . . . . 10 ARG CG . 6575 1 80 . 1 1 10 10 ARG CD C 13 43.252 . . 1 . . . . 10 ARG CD . 6575 1 81 . 1 1 10 10 ARG N N 15 122.171 . . 1 . . . . 10 ARG N . 6575 1 82 . 1 1 11 11 HIS H H 1 8.620 . . 1 . . . . 11 HIS HN . 6575 1 83 . 1 1 11 11 HIS HA H 1 4.172 . . 1 . . . . 11 HIS HA . 6575 1 84 . 1 1 11 11 HIS HB2 H 1 2.843 . . 2 . . . . 11 HIS HB1 . 6575 1 85 . 1 1 11 11 HIS HB3 H 1 3.000 . . 2 . . . . 11 HIS HB2 . 6575 1 86 . 1 1 11 11 HIS C C 13 175.788 . . 1 . . . . 11 HIS C . 6575 1 87 . 1 1 11 11 HIS CA C 13 59.806 . . 1 . . . . 11 HIS CA . 6575 1 88 . 1 1 11 11 HIS CB C 13 30.392 . . 1 . . . . 11 HIS CB . 6575 1 89 . 1 1 11 11 HIS N N 15 116.644 . . 1 . . . . 11 HIS N . 6575 1 90 . 1 1 12 12 GLN H H 1 7.944 . . 1 . . . . 12 GLN HN . 6575 1 91 . 1 1 12 12 GLN HA H 1 3.678 . . 1 . . . . 12 GLN HA . 6575 1 92 . 1 1 12 12 GLN HB2 H 1 2.180 . . 2 . . . . 12 GLN HB2 . 6575 1 93 . 1 1 12 12 GLN HG2 H 1 2.242 . . 2 . . . . 12 GLN HG1 . 6575 1 94 . 1 1 12 12 GLN C C 13 177.139 . . 1 . . . . 12 GLN C . 6575 1 95 . 1 1 12 12 GLN CA C 13 59.201 . . 1 . . . . 12 GLN CA . 6575 1 96 . 1 1 12 12 GLN CB C 13 28.945 . . 1 . . . . 12 GLN CB . 6575 1 97 . 1 1 12 12 GLN CG C 13 34.908 . . 1 . . . . 12 GLN CG . 6575 1 98 . 1 1 12 12 GLN N N 15 118.766 . . 1 . . . . 12 GLN N . 6575 1 99 . 1 1 13 13 ALA H H 1 8.563 . . 1 . . . . 13 ALA HN . 6575 1 100 . 1 1 13 13 ALA HA H 1 3.631 . . 1 . . . . 13 ALA HA . 6575 1 101 . 1 1 13 13 ALA HB1 H 1 1.281 . . 1 . . . . 13 ALA HB1 . 6575 1 102 . 1 1 13 13 ALA HB2 H 1 1.281 . . 1 . . . . 13 ALA HB1 . 6575 1 103 . 1 1 13 13 ALA HB3 H 1 1.281 . . 1 . . . . 13 ALA HB1 . 6575 1 104 . 1 1 13 13 ALA C C 13 176.038 . . 1 . . . . 13 ALA C . 6575 1 105 . 1 1 13 13 ALA CA C 13 54.958 . . 1 . . . . 13 ALA CA . 6575 1 106 . 1 1 13 13 ALA CB C 13 18.610 . . 1 . . . . 13 ALA CB . 6575 1 107 . 1 1 13 13 ALA N N 15 122.495 . . 1 . . . . 13 ALA N . 6575 1 108 . 1 1 14 14 GLU H H 1 8.235 . . 1 . . . . 14 GLU HN . 6575 1 109 . 1 1 14 14 GLU HA H 1 3.572 . . 1 . . . . 14 GLU HA . 6575 1 110 . 1 1 14 14 GLU HB2 H 1 1.988 . . 2 . . . . 14 GLU HB2 . 6575 1 111 . 1 1 14 14 GLU HG2 H 1 2.656 . . 2 . . . . 14 GLU HG1 . 6575 1 112 . 1 1 14 14 GLU C C 13 175.647 . . 1 . . . . 14 GLU C . 6575 1 113 . 1 1 14 14 GLU CA C 13 60.515 . . 1 . . . . 14 GLU CA . 6575 1 114 . 1 1 14 14 GLU CB C 13 28.718 . . 1 . . . . 14 GLU CB . 6575 1 115 . 1 1 14 14 GLU CG C 13 37.322 . . 1 . . . . 14 GLU CG . 6575 1 116 . 1 1 14 14 GLU N N 15 116.038 . . 1 . . . . 14 GLU N . 6575 1 117 . 1 1 15 15 CYS H H 1 7.811 . . 1 . . . . 15 CYS HN . 6575 1 118 . 1 1 15 15 CYS HA H 1 3.879 . . 1 . . . . 15 CYS HA . 6575 1 119 . 1 1 15 15 CYS HB2 H 1 2.690 . . 2 . . . . 15 CYS HB1 . 6575 1 120 . 1 1 15 15 CYS C C 13 174.220 . . 1 . . . . 15 CYS C . 6575 1 121 . 1 1 15 15 CYS CA C 13 63.574 . . 1 . . . . 15 CYS CA . 6575 1 122 . 1 1 15 15 CYS CB C 13 26.450 . . 1 . . . . 15 CYS CB . 6575 1 123 . 1 1 15 15 CYS N N 15 115.112 . . 1 . . . . 15 CYS N . 6575 1 124 . 1 1 16 16 ALA H H 1 7.700 . . 1 . . . . 16 ALA HN . 6575 1 125 . 1 1 16 16 ALA HA H 1 3.893 . . 1 . . . . 16 ALA HA . 6575 1 126 . 1 1 16 16 ALA HB1 H 1 1.126 . . 1 . . . . 16 ALA HB1 . 6575 1 127 . 1 1 16 16 ALA HB2 H 1 1.126 . . 1 . . . . 16 ALA HB1 . 6575 1 128 . 1 1 16 16 ALA HB3 H 1 1.126 . . 1 . . . . 16 ALA HB1 . 6575 1 129 . 1 1 16 16 ALA C C 13 177.084 . . 1 . . . . 16 ALA C . 6575 1 130 . 1 1 16 16 ALA CA C 13 55.404 . . 1 . . . . 16 ALA CA . 6575 1 131 . 1 1 16 16 ALA CB C 13 17.624 . . 1 . . . . 16 ALA CB . 6575 1 132 . 1 1 16 16 ALA N N 15 121.886 . . 1 . . . . 16 ALA N . 6575 1 133 . 1 1 17 17 LEU H H 1 8.063 . . 1 . . . . 17 LEU HN . 6575 1 134 . 1 1 17 17 LEU HA H 1 3.551 . . 1 . . . . 17 LEU HA . 6575 1 135 . 1 1 17 17 LEU HB2 H 1 1.039 . . 2 . . . . 17 LEU HB1 . 6575 1 136 . 1 1 17 17 LEU HB3 H 1 1.687 . . 2 . . . . 17 LEU HB2 . 6575 1 137 . 1 1 17 17 LEU HG H 1 1.479 . . 1 . . . . 17 LEU HG . 6575 1 138 . 1 1 17 17 LEU HD11 H 1 0.302 . . 2 . . . . 17 LEU HD11 . 6575 1 139 . 1 1 17 17 LEU HD12 H 1 0.302 . . 2 . . . . 17 LEU HD11 . 6575 1 140 . 1 1 17 17 LEU HD13 H 1 0.302 . . 2 . . . . 17 LEU HD11 . 6575 1 141 . 1 1 17 17 LEU HD21 H 1 0.556 . . 2 . . . . 17 LEU HD21 . 6575 1 142 . 1 1 17 17 LEU HD22 H 1 0.556 . . 2 . . . . 17 LEU HD21 . 6575 1 143 . 1 1 17 17 LEU HD23 H 1 0.556 . . 2 . . . . 17 LEU HD21 . 6575 1 144 . 1 1 17 17 LEU C C 13 177.329 . . 1 . . . . 17 LEU C . 6575 1 145 . 1 1 17 17 LEU CA C 13 57.936 . . 1 . . . . 17 LEU CA . 6575 1 146 . 1 1 17 17 LEU CB C 13 41.326 . . 1 . . . . 17 LEU CB . 6575 1 147 . 1 1 17 17 LEU CG C 13 26.542 . . 1 . . . . 17 LEU CG . 6575 1 148 . 1 1 17 17 LEU CD1 C 13 24.971 . . 1 . . . . 17 LEU CD1 . 6575 1 149 . 1 1 17 17 LEU CD2 C 13 23.119 . . 1 . . . . 17 LEU CD2 . 6575 1 150 . 1 1 17 17 LEU N N 15 116.930 . . 1 . . . . 17 LEU N . 6575 1 151 . 1 1 18 18 ASN H H 1 8.390 . . 1 . . . . 18 ASN HN . 6575 1 152 . 1 1 18 18 ASN HA H 1 4.190 . . 1 . . . . 18 ASN HA . 6575 1 153 . 1 1 18 18 ASN HB2 H 1 2.840 . . 2 . . . . 18 ASN HB2 . 6575 1 154 . 1 1 18 18 ASN C C 13 175.422 . . 1 . . . . 18 ASN C . 6575 1 155 . 1 1 18 18 ASN CA C 13 55.277 . . 1 . . . . 18 ASN CA . 6575 1 156 . 1 1 18 18 ASN CB C 13 37.409 . . 1 . . . . 18 ASN CB . 6575 1 157 . 1 1 18 18 ASN N N 15 116.922 . . 1 . . . . 18 ASN N . 6575 1 158 . 1 1 19 19 GLU H H 1 8.236 . . 1 . . . . 19 GLU HN . 6575 1 159 . 1 1 19 19 GLU HA H 1 4.020 . . 1 . . . . 19 GLU HA . 6575 1 160 . 1 1 19 19 GLU HB2 H 1 1.984 . . 2 . . . . 19 GLU HB1 . 6575 1 161 . 1 1 19 19 GLU HG2 H 1 2.130 . . 2 . . . . 19 GLU HG1 . 6575 1 162 . 1 1 19 19 GLU HG3 H 1 2.333 . . 2 . . . . 19 GLU HG2 . 6575 1 163 . 1 1 19 19 GLU C C 13 176.055 . . 1 . . . . 19 GLU C . 6575 1 164 . 1 1 19 19 GLU CA C 13 58.923 . . 1 . . . . 19 GLU CA . 6575 1 165 . 1 1 19 19 GLU CB C 13 30.635 . . 1 . . . . 19 GLU CB . 6575 1 166 . 1 1 19 19 GLU CG C 13 36.626 . . 1 . . . . 19 GLU CG . 6575 1 167 . 1 1 19 19 GLU N N 15 119.000 . . 1 . . . . 19 GLU N . 6575 1 168 . 1 1 20 20 ARG H H 1 7.876 . . 1 . . . . 20 ARG HN . 6575 1 169 . 1 1 20 20 ARG HA H 1 4.578 . . 1 . . . . 20 ARG HA . 6575 1 170 . 1 1 20 20 ARG HB2 H 1 1.436 . . 2 . . . . 20 ARG HB1 . 6575 1 171 . 1 1 20 20 ARG HB3 H 1 1.710 . . 2 . . . . 20 ARG HB2 . 6575 1 172 . 1 1 20 20 ARG C C 13 174.123 . . 1 . . . . 20 ARG C . 6575 1 173 . 1 1 20 20 ARG CA C 13 55.879 . . 1 . . . . 20 ARG CA . 6575 1 174 . 1 1 20 20 ARG CB C 13 32.635 . . 1 . . . . 20 ARG CB . 6575 1 175 . 1 1 20 20 ARG CG C 13 27.077 . . 1 . . . . 20 ARG CG . 6575 1 176 . 1 1 20 20 ARG CD C 13 43.573 . . 1 . . . . 20 ARG CD . 6575 1 177 . 1 1 20 20 ARG N N 15 112.475 . . 1 . . . . 20 ARG N . 6575 1 178 . 1 1 21 21 GLY H H 1 7.791 . . 1 . . . . 21 GLY HN . 6575 1 179 . 1 1 21 21 GLY HA2 H 1 3.450 . . 2 . . . . 21 GLY HA1 . 6575 1 180 . 1 1 21 21 GLY HA3 H 1 4.677 . . 2 . . . . 21 GLY HA2 . 6575 1 181 . 1 1 21 21 GLY C C 13 171.287 . . 1 . . . . 21 GLY C . 6575 1 182 . 1 1 21 21 GLY CA C 13 45.468 . . 1 . . . . 21 GLY CA . 6575 1 183 . 1 1 21 21 GLY N N 15 109.226 . . 1 . . . . 21 GLY N . 6575 1 184 . 1 1 22 22 VAL H H 1 8.930 . . 1 . . . . 22 VAL HN . 6575 1 185 . 1 1 22 22 VAL HA H 1 4.304 . . 1 . . . . 22 VAL HA . 6575 1 186 . 1 1 22 22 VAL HB H 1 2.037 . . 1 . . . . 22 VAL HB . 6575 1 187 . 1 1 22 22 VAL HG11 H 1 0.823 . . 2 . . . . 22 VAL HG11 . 6575 1 188 . 1 1 22 22 VAL HG12 H 1 0.823 . . 2 . . . . 22 VAL HG11 . 6575 1 189 . 1 1 22 22 VAL HG13 H 1 0.823 . . 2 . . . . 22 VAL HG11 . 6575 1 190 . 1 1 22 22 VAL HG21 H 1 0.758 . . 2 . . . . 22 VAL HG21 . 6575 1 191 . 1 1 22 22 VAL HG22 H 1 0.758 . . 2 . . . . 22 VAL HG21 . 6575 1 192 . 1 1 22 22 VAL HG23 H 1 0.758 . . 2 . . . . 22 VAL HG21 . 6575 1 193 . 1 1 22 22 VAL C C 13 172.542 . . 1 . . . . 22 VAL C . 6575 1 194 . 1 1 22 22 VAL CA C 13 59.645 . . 1 . . . . 22 VAL CA . 6575 1 195 . 1 1 22 22 VAL CB C 13 34.484 . . 1 . . . . 22 VAL CB . 6575 1 196 . 1 1 22 22 VAL CG1 C 13 21.345 . . 1 . . . . 22 VAL CG1 . 6575 1 197 . 1 1 22 22 VAL CG2 C 13 19.504 . . 1 . . . . 22 VAL CG2 . 6575 1 198 . 1 1 22 22 VAL N N 15 119.367 . . 1 . . . . 22 VAL N . 6575 1 199 . 1 1 23 23 GLU H H 1 8.410 . . 1 . . . . 23 GLU HN . 6575 1 200 . 1 1 23 23 GLU HA H 1 4.082 . . 1 . . . . 23 GLU HA . 6575 1 201 . 1 1 23 23 GLU HB2 H 1 1.580 . . 2 . . . . 23 GLU HB1 . 6575 1 202 . 1 1 23 23 GLU C C 13 175.447 . . 1 . . . . 23 GLU C . 6575 1 203 . 1 1 23 23 GLU CA C 13 59.505 . . 1 . . . . 23 GLU CA . 6575 1 204 . 1 1 23 23 GLU CB C 13 36.371 . . 1 . . . . 23 GLU CB . 6575 1 205 . 1 1 23 23 GLU CG C 13 36.371 . . 1 . . . . 23 GLU CG . 6575 1 206 . 1 1 23 23 GLU N N 15 121.044 . . 1 . . . . 23 GLU N . 6575 1 207 . 1 1 24 24 GLY H H 1 8.584 . . 1 . . . . 24 GLY HN . 6575 1 208 . 1 1 24 24 GLY HA2 H 1 4.456 . . 2 . . . . 24 GLY HA1 . 6575 1 209 . 1 1 24 24 GLY HA3 H 1 3.800 . . 2 . . . . 24 GLY HA2 . 6575 1 210 . 1 1 24 24 GLY C C 13 171.710 . . 1 . . . . 24 GLY C . 6575 1 211 . 1 1 24 24 GLY CA C 13 45.484 . . 1 . . . . 24 GLY CA . 6575 1 212 . 1 1 24 24 GLY N N 15 115.061 . . 1 . . . . 24 GLY N . 6575 1 213 . 1 1 25 25 ASP H H 1 8.600 . . 1 . . . . 25 ASP HN . 6575 1 214 . 1 1 25 25 ASP HA H 1 6.046 . . 1 . . . . 25 ASP HA . 6575 1 215 . 1 1 25 25 ASP HB2 H 1 2.158 . . 2 . . . . 25 ASP HB1 . 6575 1 216 . 1 1 25 25 ASP HB3 H 1 2.738 . . 2 . . . . 25 ASP HB2 . 6575 1 217 . 1 1 25 25 ASP C C 13 174.091 . . 1 . . . . 25 ASP C . 6575 1 218 . 1 1 25 25 ASP CA C 13 53.940 . . 1 . . . . 25 ASP CA . 6575 1 219 . 1 1 25 25 ASP CB C 13 41.487 . . 1 . . . . 25 ASP CB . 6575 1 220 . 1 1 25 25 ASP N N 15 124.663 . . 1 . . . . 25 ASP N . 6575 1 221 . 1 1 26 26 PHE H H 1 8.405 . . 1 . . . . 26 PHE HN . 6575 1 222 . 1 1 26 26 PHE HA H 1 5.917 . . 1 . . . . 26 PHE HA . 6575 1 223 . 1 1 26 26 PHE HB2 H 1 2.822 . . 2 . . . . 26 PHE HB1 . 6575 1 224 . 1 1 26 26 PHE HB3 H 1 2.746 . . 2 . . . . 26 PHE HB2 . 6575 1 225 . 1 1 26 26 PHE C C 13 169.753 . . 1 . . . . 26 PHE C . 6575 1 226 . 1 1 26 26 PHE CA C 13 55.039 . . 1 . . . . 26 PHE CA . 6575 1 227 . 1 1 26 26 PHE CB C 13 45.206 . . 1 . . . . 26 PHE CB . 6575 1 228 . 1 1 26 26 PHE N N 15 114.874 . . 1 . . . . 26 PHE N . 6575 1 229 . 1 1 27 27 LEU H H 1 9.009 . . 1 . . . . 27 LEU HN . 6575 1 230 . 1 1 27 27 LEU HA H 1 4.789 . . 1 . . . . 27 LEU HA . 6575 1 231 . 1 1 27 27 LEU HB2 H 1 1.170 . . 2 . . . . 27 LEU HB1 . 6575 1 232 . 1 1 27 27 LEU HB3 H 1 1.315 . . 2 . . . . 27 LEU HB2 . 6575 1 233 . 1 1 27 27 LEU HG H 1 1.480 . . 1 . . . . 27 LEU HG . 6575 1 234 . 1 1 27 27 LEU HD11 H 1 0.449 . . 2 . . . . 27 LEU HD11 . 6575 1 235 . 1 1 27 27 LEU HD12 H 1 0.449 . . 2 . . . . 27 LEU HD11 . 6575 1 236 . 1 1 27 27 LEU HD13 H 1 0.449 . . 2 . . . . 27 LEU HD11 . 6575 1 237 . 1 1 27 27 LEU HD21 H 1 0.147 . . 2 . . . . 27 LEU HD21 . 6575 1 238 . 1 1 27 27 LEU HD22 H 1 0.147 . . 2 . . . . 27 LEU HD21 . 6575 1 239 . 1 1 27 27 LEU HD23 H 1 0.147 . . 2 . . . . 27 LEU HD21 . 6575 1 240 . 1 1 27 27 LEU C C 13 172.032 . . 1 . . . . 27 LEU C . 6575 1 241 . 1 1 27 27 LEU CA C 13 54.043 . . 1 . . . . 27 LEU CA . 6575 1 242 . 1 1 27 27 LEU CB C 13 45.895 . . 1 . . . . 27 LEU CB . 6575 1 243 . 1 1 27 27 LEU CG C 13 25.254 . . 1 . . . . 27 LEU CG . 6575 1 244 . 1 1 27 27 LEU CD1 C 13 25.445 . . 1 . . . . 27 LEU CD1 . 6575 1 245 . 1 1 27 27 LEU CD2 C 13 26.811 . . 1 . . . . 27 LEU CD2 . 6575 1 246 . 1 1 27 27 LEU N N 15 115.101 . . 1 . . . . 27 LEU N . 6575 1 247 . 1 1 28 28 ILE H H 1 9.363 . . 1 . . . . 28 ILE HN . 6575 1 248 . 1 1 28 28 ILE HA H 1 5.329 . . 1 . . . . 28 ILE HA . 6575 1 249 . 1 1 28 28 ILE HB H 1 2.271 . . 1 . . . . 28 ILE HB . 6575 1 250 . 1 1 28 28 ILE HG12 H 1 1.194 . . 1 . . . . 28 ILE HG11 . 6575 1 251 . 1 1 28 28 ILE HG13 H 1 1.602 . . 1 . . . . 28 ILE HG12 . 6575 1 252 . 1 1 28 28 ILE HG21 H 1 0.960 . . 2 . . . . 28 ILE HG21 . 6575 1 253 . 1 1 28 28 ILE HG22 H 1 0.960 . . 2 . . . . 28 ILE HG21 . 6575 1 254 . 1 1 28 28 ILE HG23 H 1 0.960 . . 2 . . . . 28 ILE HG21 . 6575 1 255 . 1 1 28 28 ILE HD11 H 1 0.395 . . 1 . . . . 28 ILE HD11 . 6575 1 256 . 1 1 28 28 ILE HD12 H 1 0.395 . . 1 . . . . 28 ILE HD11 . 6575 1 257 . 1 1 28 28 ILE HD13 H 1 0.395 . . 1 . . . . 28 ILE HD11 . 6575 1 258 . 1 1 28 28 ILE C C 13 171.353 . . 1 . . . . 28 ILE C . 6575 1 259 . 1 1 28 28 ILE CA C 13 60.600 . . 1 . . . . 28 ILE CA . 6575 1 260 . 1 1 28 28 ILE CB C 13 38.645 . . 1 . . . . 28 ILE CB . 6575 1 261 . 1 1 28 28 ILE CG1 C 13 29.622 . . 2 . . . . 28 ILE CG1 . 6575 1 262 . 1 1 28 28 ILE CG2 C 13 18.104 . . 1 . . . . 28 ILE CG2 . 6575 1 263 . 1 1 28 28 ILE CD1 C 13 12.866 . . 1 . . . . 28 ILE CD1 . 6575 1 264 . 1 1 28 28 ILE N N 15 121.081 . . 1 . . . . 28 ILE N . 6575 1 265 . 1 1 29 29 ARG H H 1 9.255 . . 1 . . . . 29 ARG HN . 6575 1 266 . 1 1 29 29 ARG HA H 1 5.450 . . 1 . . . . 29 ARG HA . 6575 1 267 . 1 1 29 29 ARG HB2 H 1 2.240 . . 2 . . . . 29 ARG HB1 . 6575 1 268 . 1 1 29 29 ARG HB3 H 1 1.222 . . 2 . . . . 29 ARG HB2 . 6575 1 269 . 1 1 29 29 ARG HG2 H 1 1.629 . . 2 . . . . 29 ARG HG1 . 6575 1 270 . 1 1 29 29 ARG HG3 H 1 1.406 . . 2 . . . . 29 ARG HG2 . 6575 1 271 . 1 1 29 29 ARG HD2 H 1 3.175 . . 2 . . . . 29 ARG HD1 . 6575 1 272 . 1 1 29 29 ARG HD3 H 1 2.298 . . 2 . . . . 29 ARG HD2 . 6575 1 273 . 1 1 29 29 ARG C C 13 171.851 . . 1 . . . . 29 ARG C . 6575 1 274 . 1 1 29 29 ARG CA C 13 52.504 . . 1 . . . . 29 ARG CA . 6575 1 275 . 1 1 29 29 ARG CB C 13 34.724 . . 1 . . . . 29 ARG CB . 6575 1 276 . 1 1 29 29 ARG CG C 13 26.582 . . 1 . . . . 29 ARG CG . 6575 1 277 . 1 1 29 29 ARG CD C 13 43.887 . . 1 . . . . 29 ARG CD . 6575 1 278 . 1 1 29 29 ARG N N 15 123.913 . . 1 . . . . 29 ARG N . 6575 1 279 . 1 1 30 30 ASP H H 1 8.480 . . 1 . . . . 30 ASP HN . 6575 1 280 . 1 1 30 30 ASP HA H 1 4.610 . . 1 . . . . 30 ASP HA . 6575 1 281 . 1 1 30 30 ASP HB2 H 1 2.322 . . 2 . . . . 30 ASP HB1 . 6575 1 282 . 1 1 30 30 ASP HB3 H 1 2.684 . . 2 . . . . 30 ASP HB2 . 6575 1 283 . 1 1 30 30 ASP C C 13 173.733 . . 1 . . . . 30 ASP C . 6575 1 284 . 1 1 30 30 ASP CA C 13 54.706 . . 1 . . . . 30 ASP CA . 6575 1 285 . 1 1 30 30 ASP CB C 13 40.424 . . 1 . . . . 30 ASP CB . 6575 1 286 . 1 1 30 30 ASP N N 15 123.103 . . 1 . . . . 30 ASP N . 6575 1 287 . 1 1 31 31 SER H H 1 7.857 . . 1 . . . . 31 SER HN . 6575 1 288 . 1 1 31 31 SER HA H 1 4.344 . . 1 . . . . 31 SER HA . 6575 1 289 . 1 1 31 31 SER HB2 H 1 3.735 . . 2 . . . . 31 SER HB1 . 6575 1 290 . 1 1 31 31 SER HB3 H 1 3.458 . . 2 . . . . 31 SER HB2 . 6575 1 291 . 1 1 31 31 SER C C 13 173.474 . . 1 . . . . 31 SER C . 6575 1 292 . 1 1 31 31 SER CA C 13 57.539 . . 1 . . . . 31 SER CA . 6575 1 293 . 1 1 31 31 SER CB C 13 63.785 . . 1 . . . . 31 SER CB . 6575 1 294 . 1 1 31 31 SER N N 15 116.084 . . 1 . . . . 31 SER N . 6575 1 295 . 1 1 32 32 GLU H H 1 9.536 . . 1 . . . . 32 GLU HN . 6575 1 296 . 1 1 32 32 GLU HA H 1 4.038 . . 1 . . . . 32 GLU HA . 6575 1 297 . 1 1 32 32 GLU HB2 H 1 2.013 . . 2 . . . . 32 GLU HB1 . 6575 1 298 . 1 1 32 32 GLU C C 13 175.359 . . 1 . . . . 32 GLU C . 6575 1 299 . 1 1 32 32 GLU CA C 13 58.178 . . 1 . . . . 32 GLU CA . 6575 1 300 . 1 1 32 32 GLU CB C 13 30.495 . . 1 . . . . 32 GLU CB . 6575 1 301 . 1 1 32 32 GLU CG C 13 37.061 . . 1 . . . . 32 GLU CG . 6575 1 302 . 1 1 32 32 GLU N N 15 127.831 . . 1 . . . . 32 GLU N . 6575 1 303 . 1 1 33 33 SER H H 1 8.267 . . 1 . . . . 33 SER HN . 6575 1 304 . 1 1 33 33 SER HA H 1 4.211 . . 1 . . . . 33 SER HA . 6575 1 305 . 1 1 33 33 SER HB2 H 1 3.711 . . 2 . . . . 33 SER HB2 . 6575 1 306 . 1 1 33 33 SER C C 13 172.585 . . 1 . . . . 33 SER C . 6575 1 307 . 1 1 33 33 SER CA C 13 59.493 . . 1 . . . . 33 SER CA . 6575 1 308 . 1 1 33 33 SER CB C 13 63.841 . . 1 . . . . 33 SER CB . 6575 1 309 . 1 1 33 33 SER N N 15 112.882 . . 1 . . . . 33 SER N . 6575 1 310 . 1 1 34 34 SER H H 1 7.355 . . 1 . . . . 34 SER HN . 6575 1 311 . 1 1 34 34 SER HA H 1 4.800 . . 1 . . . . 34 SER HA . 6575 1 312 . 1 1 34 34 SER HB2 H 1 3.730 . . 2 . . . . 34 SER HB1 . 6575 1 313 . 1 1 34 34 SER HB3 H 1 3.642 . . 2 . . . . 34 SER HB2 . 6575 1 314 . 1 1 34 34 SER CA C 13 54.676 . . 1 . . . . 34 SER CA . 6575 1 315 . 1 1 34 34 SER CB C 13 64.010 . . 1 . . . . 34 SER CB . 6575 1 316 . 1 1 34 34 SER N N 15 116.671 . . 1 . . . . 34 SER N . 6575 1 317 . 1 1 35 35 PRO HA H 1 4.060 . . 1 . . . . 35 PRO HA . 6575 1 318 . 1 1 35 35 PRO HB2 H 1 1.930 . . 2 . . . . 35 PRO HB1 . 6575 1 319 . 1 1 35 35 PRO HB3 H 1 1.626 . . 2 . . . . 35 PRO HB2 . 6575 1 320 . 1 1 35 35 PRO HG2 H 1 1.460 . . 2 . . . . 35 PRO HG1 . 6575 1 321 . 1 1 35 35 PRO HD2 H 1 3.620 . . 2 . . . . 35 PRO HD1 . 6575 1 322 . 1 1 35 35 PRO HD3 H 1 3.417 . . 2 . . . . 35 PRO HD2 . 6575 1 323 . 1 1 35 35 PRO C C 13 174.365 . . 1 . . . . 35 PRO C . 6575 1 324 . 1 1 35 35 PRO CA C 13 62.580 . . 1 . . . . 35 PRO CA . 6575 1 325 . 1 1 35 35 PRO CB C 13 32.113 . . 1 . . . . 35 PRO CB . 6575 1 326 . 1 1 35 35 PRO CG C 13 26.983 . . 1 . . . . 35 PRO CG . 6575 1 327 . 1 1 35 35 PRO CD C 13 50.766 . . 1 . . . . 35 PRO CD . 6575 1 328 . 1 1 36 36 SER H H 1 8.000 . . 1 . . . . 36 SER HN . 6575 1 329 . 1 1 36 36 SER HA H 1 4.262 . . 1 . . . . 36 SER HA . 6575 1 330 . 1 1 36 36 SER HB2 H 1 3.818 . . 2 . . . . 36 SER HB1 . 6575 1 331 . 1 1 36 36 SER HB3 H 1 3.992 . . 2 . . . . 36 SER HB2 . 6575 1 332 . 1 1 36 36 SER C C 13 170.204 . . 1 . . . . 36 SER C . 6575 1 333 . 1 1 36 36 SER CA C 13 59.880 . . 1 . . . . 36 SER CA . 6575 1 334 . 1 1 36 36 SER CB C 13 63.707 . . 1 . . . . 36 SER CB . 6575 1 335 . 1 1 36 36 SER N N 15 112.413 . . 1 . . . . 36 SER N . 6575 1 336 . 1 1 37 37 ASP H H 1 7.382 . . 1 . . . . 37 ASP HN . 6575 1 337 . 1 1 37 37 ASP HA H 1 5.174 . . 1 . . . . 37 ASP HA . 6575 1 338 . 1 1 37 37 ASP HB2 H 1 2.569 . . 2 . . . . 37 ASP HB1 . 6575 1 339 . 1 1 37 37 ASP HB3 H 1 2.898 . . 2 . . . . 37 ASP HB2 . 6575 1 340 . 1 1 37 37 ASP C C 13 172.786 . . 1 . . . . 37 ASP C . 6575 1 341 . 1 1 37 37 ASP CA C 13 53.639 . . 1 . . . . 37 ASP CA . 6575 1 342 . 1 1 37 37 ASP CB C 13 43.136 . . 1 . . . . 37 ASP CB . 6575 1 343 . 1 1 37 37 ASP N N 15 119.560 . . 1 . . . . 37 ASP N . 6575 1 344 . 1 1 38 38 PHE H H 1 8.911 . . 1 . . . . 38 PHE HN . 6575 1 345 . 1 1 38 38 PHE HA H 1 5.293 . . 1 . . . . 38 PHE HA . 6575 1 346 . 1 1 38 38 PHE HB2 H 1 2.498 . . 2 . . . . 38 PHE HB1 . 6575 1 347 . 1 1 38 38 PHE HB3 H 1 3.169 . . 2 . . . . 38 PHE HB2 . 6575 1 348 . 1 1 38 38 PHE C C 13 172.704 . . 1 . . . . 38 PHE C . 6575 1 349 . 1 1 38 38 PHE CA C 13 56.733 . . 1 . . . . 38 PHE CA . 6575 1 350 . 1 1 38 38 PHE CB C 13 44.099 . . 1 . . . . 38 PHE CB . 6575 1 351 . 1 1 38 38 PHE N N 15 116.697 . . 1 . . . . 38 PHE N . 6575 1 352 . 1 1 39 39 SER H H 1 9.440 . . 1 . . . . 39 SER HN . 6575 1 353 . 1 1 39 39 SER HA H 1 5.523 . . 1 . . . . 39 SER HA . 6575 1 354 . 1 1 39 39 SER HB2 H 1 3.348 . . 2 . . . . 39 SER HB1 . 6575 1 355 . 1 1 39 39 SER HB3 H 1 3.537 . . 2 . . . . 39 SER HB2 . 6575 1 356 . 1 1 39 39 SER C C 13 170.982 . . 1 . . . . 39 SER C . 6575 1 357 . 1 1 39 39 SER CA C 13 57.863 . . 1 . . . . 39 SER CA . 6575 1 358 . 1 1 39 39 SER CB C 13 66.091 . . 1 . . . . 39 SER CB . 6575 1 359 . 1 1 39 39 SER N N 15 115.620 . . 1 . . . . 39 SER N . 6575 1 360 . 1 1 40 40 VAL H H 1 9.301 . . 1 . . . . 40 VAL HN . 6575 1 361 . 1 1 40 40 VAL HA H 1 4.676 . . 1 . . . . 40 VAL HA . 6575 1 362 . 1 1 40 40 VAL HB H 1 2.053 . . 1 . . . . 40 VAL HB . 6575 1 363 . 1 1 40 40 VAL HG11 H 1 0.645 . . 2 . . . . 40 VAL HG11 . 6575 1 364 . 1 1 40 40 VAL HG12 H 1 0.645 . . 2 . . . . 40 VAL HG11 . 6575 1 365 . 1 1 40 40 VAL HG13 H 1 0.645 . . 2 . . . . 40 VAL HG11 . 6575 1 366 . 1 1 40 40 VAL HG21 H 1 0.645 . . 2 . . . . 40 VAL HG21 . 6575 1 367 . 1 1 40 40 VAL HG22 H 1 0.645 . . 2 . . . . 40 VAL HG21 . 6575 1 368 . 1 1 40 40 VAL HG23 H 1 0.645 . . 2 . . . . 40 VAL HG21 . 6575 1 369 . 1 1 40 40 VAL C C 13 173.484 . . 1 . . . . 40 VAL C . 6575 1 370 . 1 1 40 40 VAL CA C 13 60.992 . . 1 . . . . 40 VAL CA . 6575 1 371 . 1 1 40 40 VAL CB C 13 33.395 . . 1 . . . . 40 VAL CB . 6575 1 372 . 1 1 40 40 VAL CG1 C 13 21.392 . . 1 . . . . 40 VAL CG1 . 6575 1 373 . 1 1 40 40 VAL CG2 C 13 19.932 . . 1 . . . . 40 VAL CG2 . 6575 1 374 . 1 1 40 40 VAL N N 15 124.980 . . 1 . . . . 40 VAL N . 6575 1 375 . 1 1 41 41 SER H H 1 9.344 . . 1 . . . . 41 SER HN . 6575 1 376 . 1 1 41 41 SER HA H 1 5.201 . . 1 . . . . 41 SER HA . 6575 1 377 . 1 1 41 41 SER HB2 H 1 3.343 . . 2 . . . . 41 SER HB2 . 6575 1 378 . 1 1 41 41 SER C C 13 168.912 . . 1 . . . . 41 SER C . 6575 1 379 . 1 1 41 41 SER CA C 13 58.582 . . 1 . . . . 41 SER CA . 6575 1 380 . 1 1 41 41 SER CB C 13 65.354 . . 1 . . . . 41 SER CB . 6575 1 381 . 1 1 41 41 SER N N 15 124.447 . . 1 . . . . 41 SER N . 6575 1 382 . 1 1 42 42 LEU H H 1 8.940 . . 1 . . . . 42 LEU HN . 6575 1 383 . 1 1 42 42 LEU HA H 1 4.959 . . 1 . . . . 42 LEU HA . 6575 1 384 . 1 1 42 42 LEU HB2 H 1 0.974 . . 2 . . . . 42 LEU HB1 . 6575 1 385 . 1 1 42 42 LEU HB3 H 1 1.600 . . 2 . . . . 42 LEU HB2 . 6575 1 386 . 1 1 42 42 LEU HG H 1 0.606 . . 1 . . . . 42 LEU HG . 6575 1 387 . 1 1 42 42 LEU HD11 H 1 0.743 . . 2 . . . . 42 LEU HD11 . 6575 1 388 . 1 1 42 42 LEU HD12 H 1 0.743 . . 2 . . . . 42 LEU HD11 . 6575 1 389 . 1 1 42 42 LEU HD13 H 1 0.743 . . 2 . . . . 42 LEU HD11 . 6575 1 390 . 1 1 42 42 LEU C C 13 172.036 . . 1 . . . . 42 LEU C . 6575 1 391 . 1 1 42 42 LEU CA C 13 53.138 . . 1 . . . . 42 LEU CA . 6575 1 392 . 1 1 42 42 LEU CB C 13 48.805 . . 1 . . . . 42 LEU CB . 6575 1 393 . 1 1 42 42 LEU CG C 13 27.480 . . 1 . . . . 42 LEU CG . 6575 1 394 . 1 1 42 42 LEU CD1 C 13 24.230 . . 1 . . . . 42 LEU CD1 . 6575 1 395 . 1 1 42 42 LEU N N 15 126.688 . . 1 . . . . 42 LEU N . 6575 1 396 . 1 1 43 43 LYS H H 1 8.826 . . 1 . . . . 43 LYS HN . 6575 1 397 . 1 1 43 43 LYS HA H 1 4.655 . . 1 . . . . 43 LYS HA . 6575 1 398 . 1 1 43 43 LYS HB2 H 1 2.121 . . 2 . . . . 43 LYS HB2 . 6575 1 399 . 1 1 43 43 LYS C C 13 172.541 . . 1 . . . . 43 LYS C . 6575 1 400 . 1 1 43 43 LYS CA C 13 55.824 . . 1 . . . . 43 LYS CA . 6575 1 401 . 1 1 43 43 LYS CB C 13 32.671 . . 1 . . . . 43 LYS CB . 6575 1 402 . 1 1 43 43 LYS CG C 13 25.313 . . 1 . . . . 43 LYS CG . 6575 1 403 . 1 1 43 43 LYS CD C 13 29.088 . . 1 . . . . 43 LYS CD . 6575 1 404 . 1 1 43 43 LYS CE C 13 42.764 . . 1 . . . . 43 LYS CE . 6575 1 405 . 1 1 43 43 LYS N N 15 121.507 . . 1 . . . . 43 LYS N . 6575 1 406 . 1 1 44 44 ALA H H 1 8.410 . . 1 . . . . 44 ALA HN . 6575 1 407 . 1 1 44 44 ALA HA H 1 4.710 . . 1 . . . . 44 ALA HA . 6575 1 408 . 1 1 44 44 ALA HB1 H 1 1.231 . . 1 . . . . 44 ALA HB1 . 6575 1 409 . 1 1 44 44 ALA HB2 H 1 1.231 . . 1 . . . . 44 ALA HB1 . 6575 1 410 . 1 1 44 44 ALA HB3 H 1 1.231 . . 1 . . . . 44 ALA HB1 . 6575 1 411 . 1 1 44 44 ALA C C 13 173.298 . . 1 . . . . 44 ALA C . 6575 1 412 . 1 1 44 44 ALA CA C 13 50.972 . . 1 . . . . 44 ALA CA . 6575 1 413 . 1 1 44 44 ALA CB C 13 22.005 . . 1 . . . . 44 ALA CB . 6575 1 414 . 1 1 44 44 ALA N N 15 133.060 . . 1 . . . . 44 ALA N . 6575 1 415 . 1 1 45 45 SER H H 1 9.140 . . 1 . . . . 45 SER HN . 6575 1 416 . 1 1 45 45 SER HA H 1 4.024 . . 1 . . . . 45 SER HA . 6575 1 417 . 1 1 45 45 SER HB2 H 1 3.738 . . 2 . . . . 45 SER HB1 . 6575 1 418 . 1 1 45 45 SER HB3 H 1 3.840 . . 2 . . . . 45 SER HB2 . 6575 1 419 . 1 1 45 45 SER C C 13 173.537 . . 1 . . . . 45 SER C . 6575 1 420 . 1 1 45 45 SER CA C 13 59.084 . . 1 . . . . 45 SER CA . 6575 1 421 . 1 1 45 45 SER CB C 13 62.387 . . 1 . . . . 45 SER CB . 6575 1 422 . 1 1 45 45 SER N N 15 117.530 . . 1 . . . . 45 SER N . 6575 1 423 . 1 1 46 46 GLY H H 1 8.844 . . 1 . . . . 46 GLY HN . 6575 1 424 . 1 1 46 46 GLY HA2 H 1 4.054 . . 2 . . . . 46 GLY HA1 . 6575 1 425 . 1 1 46 46 GLY HA3 H 1 3.470 . . 2 . . . . 46 GLY HA2 . 6575 1 426 . 1 1 46 46 GLY C C 13 171.076 . . 1 . . . . 46 GLY C . 6575 1 427 . 1 1 46 46 GLY CA C 13 46.094 . . 1 . . . . 46 GLY CA . 6575 1 428 . 1 1 46 46 GLY N N 15 112.843 . . 1 . . . . 46 GLY N . 6575 1 429 . 1 1 47 47 LYS H H 1 7.456 . . 1 . . . . 47 LYS HN . 6575 1 430 . 1 1 47 47 LYS HA H 1 4.321 . . 1 . . . . 47 LYS HA . 6575 1 431 . 1 1 47 47 LYS HB2 H 1 1.562 . . 2 . . . . 47 LYS HB1 . 6575 1 432 . 1 1 47 47 LYS HB3 H 1 1.754 . . 2 . . . . 47 LYS HB2 . 6575 1 433 . 1 1 47 47 LYS HG2 H 1 1.195 . . 2 . . . . 47 LYS HG2 . 6575 1 434 . 1 1 47 47 LYS HD2 H 1 1.543 . . 2 . . . . 47 LYS HD2 . 6575 1 435 . 1 1 47 47 LYS HE2 H 1 2.842 . . 2 . . . . 47 LYS HE1 . 6575 1 436 . 1 1 47 47 LYS C C 13 171.703 . . 1 . . . . 47 LYS C . 6575 1 437 . 1 1 47 47 LYS CA C 13 55.142 . . 1 . . . . 47 LYS CA . 6575 1 438 . 1 1 47 47 LYS CB C 13 34.625 . . 1 . . . . 47 LYS CB . 6575 1 439 . 1 1 47 47 LYS CG C 13 23.977 . . 1 . . . . 47 LYS CG . 6575 1 440 . 1 1 47 47 LYS CD C 13 29.161 . . 1 . . . . 47 LYS CD . 6575 1 441 . 1 1 47 47 LYS CE C 13 42.062 . . 1 . . . . 47 LYS CE . 6575 1 442 . 1 1 47 47 LYS N N 15 119.692 . . 1 . . . . 47 LYS N . 6575 1 443 . 1 1 48 48 ASN H H 1 8.505 . . 1 . . . . 48 ASN HN . 6575 1 444 . 1 1 48 48 ASN HA H 1 5.012 . . 1 . . . . 48 ASN HA . 6575 1 445 . 1 1 48 48 ASN HB2 H 1 1.880 . . 2 . . . . 48 ASN HB1 . 6575 1 446 . 1 1 48 48 ASN HB3 H 1 2.461 . . 2 . . . . 48 ASN HB2 . 6575 1 447 . 1 1 48 48 ASN C C 13 172.115 . . 1 . . . . 48 ASN C . 6575 1 448 . 1 1 48 48 ASN CA C 13 53.088 . . 1 . . . . 48 ASN CA . 6575 1 449 . 1 1 48 48 ASN CB C 13 39.186 . . 1 . . . . 48 ASN CB . 6575 1 450 . 1 1 48 48 ASN N N 15 118.152 . . 1 . . . . 48 ASN N . 6575 1 451 . 1 1 49 49 LYS H H 1 8.540 . . 1 . . . . 49 LYS HN . 6575 1 452 . 1 1 49 49 LYS HA H 1 4.117 . . 1 . . . . 49 LYS HA . 6575 1 453 . 1 1 49 49 LYS HB2 H 1 1.017 . . 2 . . . . 49 LYS HB2 . 6575 1 454 . 1 1 49 49 LYS HG2 H 1 0.861 . . 2 . . . . 49 LYS HG1 . 6575 1 455 . 1 1 49 49 LYS HD2 H 1 0.961 . . 2 . . . . 49 LYS HD1 . 6575 1 456 . 1 1 49 49 LYS HE2 H 1 1.813 . . 2 . . . . 49 LYS HE1 . 6575 1 457 . 1 1 49 49 LYS C C 13 170.922 . . 1 . . . . 49 LYS C . 6575 1 458 . 1 1 49 49 LYS CA C 13 53.856 . . 1 . . . . 49 LYS CA . 6575 1 459 . 1 1 49 49 LYS CB C 13 36.045 . . 1 . . . . 49 LYS CB . 6575 1 460 . 1 1 49 49 LYS CG C 13 24.319 . . 1 . . . . 49 LYS CG . 6575 1 461 . 1 1 49 49 LYS CD C 13 28.121 . . 1 . . . . 49 LYS CD . 6575 1 462 . 1 1 49 49 LYS CE C 13 40.883 . . 1 . . . . 49 LYS CE . 6575 1 463 . 1 1 49 49 LYS N N 15 120.425 . . 1 . . . . 49 LYS N . 6575 1 464 . 1 1 49 49 LYS NZ N 15 1.950 . . 1 . . . . 49 LYS NZ . 6575 1 465 . 1 1 50 50 HIS H H 1 7.745 . . 1 . . . . 50 HIS HN . 6575 1 466 . 1 1 50 50 HIS HA H 1 5.375 . . 1 . . . . 50 HIS HA . 6575 1 467 . 1 1 50 50 HIS HB2 H 1 2.494 . . 2 . . . . 50 HIS HB1 . 6575 1 468 . 1 1 50 50 HIS HB3 H 1 2.570 . . 2 . . . . 50 HIS HB2 . 6575 1 469 . 1 1 50 50 HIS C C 13 172.853 . . 1 . . . . 50 HIS C . 6575 1 470 . 1 1 50 50 HIS CA C 13 54.047 . . 1 . . . . 50 HIS CA . 6575 1 471 . 1 1 50 50 HIS CB C 13 33.660 . . 1 . . . . 50 HIS CB . 6575 1 472 . 1 1 50 50 HIS N N 15 117.929 . . 1 . . . . 50 HIS N . 6575 1 473 . 1 1 51 51 PHE H H 1 9.380 . . 1 . . . . 51 PHE HN . 6575 1 474 . 1 1 51 51 PHE HA H 1 4.706 . . 1 . . . . 51 PHE HA . 6575 1 475 . 1 1 51 51 PHE HB2 H 1 2.494 . . 2 . . . . 51 PHE HB1 . 6575 1 476 . 1 1 51 51 PHE C C 13 172.382 . . 1 . . . . 51 PHE C . 6575 1 477 . 1 1 51 51 PHE CA C 13 56.264 . . 1 . . . . 51 PHE CA . 6575 1 478 . 1 1 51 51 PHE CB C 13 41.568 . . 1 . . . . 51 PHE CB . 6575 1 479 . 1 1 51 51 PHE N N 15 121.637 . . 1 . . . . 51 PHE N . 6575 1 480 . 1 1 52 52 LYS H H 1 8.664 . . 1 . . . . 52 LYS HN . 6575 1 481 . 1 1 52 52 LYS HA H 1 4.623 . . 1 . . . . 52 LYS HA . 6575 1 482 . 1 1 52 52 LYS HB2 H 1 1.763 . . 2 . . . . 52 LYS HB2 . 6575 1 483 . 1 1 52 52 LYS HG2 H 1 1.444 . . 2 . . . . 52 LYS HG1 . 6575 1 484 . 1 1 52 52 LYS HG3 H 1 1.336 . . 2 . . . . 52 LYS HG2 . 6575 1 485 . 1 1 52 52 LYS HD2 H 1 1.686 . . 2 . . . . 52 LYS HD1 . 6575 1 486 . 1 1 52 52 LYS HD3 H 1 1.597 . . 2 . . . . 52 LYS HD2 . 6575 1 487 . 1 1 52 52 LYS HE2 H 1 2.856 . . 2 . . . . 52 LYS HE2 . 6575 1 488 . 1 1 52 52 LYS C C 13 173.283 . . 1 . . . . 52 LYS C . 6575 1 489 . 1 1 52 52 LYS CA C 13 57.187 . . 1 . . . . 52 LYS CA . 6575 1 490 . 1 1 52 52 LYS CB C 13 32.955 . . 1 . . . . 52 LYS CB . 6575 1 491 . 1 1 52 52 LYS CG C 13 24.535 . . 1 . . . . 52 LYS CG . 6575 1 492 . 1 1 52 52 LYS CD C 13 28.528 . . 1 . . . . 52 LYS CD . 6575 1 493 . 1 1 52 52 LYS CE C 13 41.475 . . 1 . . . . 52 LYS CE . 6575 1 494 . 1 1 52 52 LYS N N 15 125.000 . . 1 . . . . 52 LYS N . 6575 1 495 . 1 1 53 53 VAL H H 1 8.896 . . 1 . . . . 53 VAL HN . 6575 1 496 . 1 1 53 53 VAL HA H 1 4.548 . . 1 . . . . 53 VAL HA . 6575 1 497 . 1 1 53 53 VAL HB H 1 1.900 . . 1 . . . . 53 VAL HB . 6575 1 498 . 1 1 53 53 VAL HG11 H 1 0.860 . . 2 . . . . 53 VAL HG11 . 6575 1 499 . 1 1 53 53 VAL HG12 H 1 0.860 . . 2 . . . . 53 VAL HG11 . 6575 1 500 . 1 1 53 53 VAL HG13 H 1 0.860 . . 2 . . . . 53 VAL HG11 . 6575 1 501 . 1 1 53 53 VAL HG21 H 1 0.760 . . 2 . . . . 53 VAL HG21 . 6575 1 502 . 1 1 53 53 VAL HG22 H 1 0.760 . . 2 . . . . 53 VAL HG21 . 6575 1 503 . 1 1 53 53 VAL HG23 H 1 0.760 . . 2 . . . . 53 VAL HG21 . 6575 1 504 . 1 1 53 53 VAL C C 13 172.750 . . 1 . . . . 53 VAL C . 6575 1 505 . 1 1 53 53 VAL CA C 13 60.938 . . 1 . . . . 53 VAL CA . 6575 1 506 . 1 1 53 53 VAL CB C 13 34.500 . . 1 . . . . 53 VAL CB . 6575 1 507 . 1 1 53 53 VAL CG1 C 13 22.395 . . 1 . . . . 53 VAL CG1 . 6575 1 508 . 1 1 53 53 VAL CG2 C 13 21.482 . . 1 . . . . 53 VAL CG2 . 6575 1 509 . 1 1 53 53 VAL N N 15 125.773 . . 1 . . . . 53 VAL N . 6575 1 510 . 1 1 54 54 GLN H H 1 8.709 . . 1 . . . . 54 GLN HN . 6575 1 511 . 1 1 54 54 GLN HA H 1 4.856 . . 1 . . . . 54 GLN HA . 6575 1 512 . 1 1 54 54 GLN HB2 H 1 1.779 . . 2 . . . . 54 GLN HB1 . 6575 1 513 . 1 1 54 54 GLN HG2 H 1 2.226 . . 2 . . . . 54 GLN HG1 . 6575 1 514 . 1 1 54 54 GLN C C 13 172.592 . . 1 . . . . 54 GLN C . 6575 1 515 . 1 1 54 54 GLN CA C 13 54.608 . . 1 . . . . 54 GLN CA . 6575 1 516 . 1 1 54 54 GLN CB C 13 32.820 . . 1 . . . . 54 GLN CB . 6575 1 517 . 1 1 54 54 GLN CG C 13 34.819 . . 1 . . . . 54 GLN CG . 6575 1 518 . 1 1 54 54 GLN N N 15 124.665 . . 1 . . . . 54 GLN N . 6575 1 519 . 1 1 55 55 LEU H H 1 8.728 . . 1 . . . . 55 LEU HN . 6575 1 520 . 1 1 55 55 LEU HA H 1 4.744 . . 1 . . . . 55 LEU HA . 6575 1 521 . 1 1 55 55 LEU HB2 H 1 1.867 . . 2 . . . . 55 LEU HB1 . 6575 1 522 . 1 1 55 55 LEU HG H 1 1.070 . . 1 . . . . 55 LEU HG . 6575 1 523 . 1 1 55 55 LEU HD11 H 1 0.705 . . 2 . . . . 55 LEU HD11 . 6575 1 524 . 1 1 55 55 LEU HD12 H 1 0.705 . . 2 . . . . 55 LEU HD11 . 6575 1 525 . 1 1 55 55 LEU HD13 H 1 0.705 . . 2 . . . . 55 LEU HD11 . 6575 1 526 . 1 1 55 55 LEU HD21 H 1 -0.065 . . 2 . . . . 55 LEU HD21 . 6575 1 527 . 1 1 55 55 LEU HD22 H 1 -0.065 . . 2 . . . . 55 LEU HD21 . 6575 1 528 . 1 1 55 55 LEU HD23 H 1 -0.065 . . 2 . . . . 55 LEU HD21 . 6575 1 529 . 1 1 55 55 LEU C C 13 173.650 . . 1 . . . . 55 LEU C . 6575 1 530 . 1 1 55 55 LEU CA C 13 54.471 . . 1 . . . . 55 LEU CA . 6575 1 531 . 1 1 55 55 LEU CB C 13 42.264 . . 1 . . . . 55 LEU CB . 6575 1 532 . 1 1 55 55 LEU CG C 13 27.363 . . 1 . . . . 55 LEU CG . 6575 1 533 . 1 1 55 55 LEU CD1 C 13 25.944 . . 1 . . . . 55 LEU CD1 . 6575 1 534 . 1 1 55 55 LEU CD2 C 13 21.624 . . 1 . . . . 55 LEU CD2 . 6575 1 535 . 1 1 55 55 LEU N N 15 127.616 . . 1 . . . . 55 LEU N . 6575 1 536 . 1 1 56 56 VAL H H 1 8.844 . . 1 . . . . 56 VAL HN . 6575 1 537 . 1 1 56 56 VAL HA H 1 4.042 . . 1 . . . . 56 VAL HA . 6575 1 538 . 1 1 56 56 VAL HB H 1 1.817 . . 1 . . . . 56 VAL HB . 6575 1 539 . 1 1 56 56 VAL HG11 H 1 0.699 . . 2 . . . . 56 VAL HG11 . 6575 1 540 . 1 1 56 56 VAL HG12 H 1 0.699 . . 2 . . . . 56 VAL HG11 . 6575 1 541 . 1 1 56 56 VAL HG13 H 1 0.699 . . 2 . . . . 56 VAL HG11 . 6575 1 542 . 1 1 56 56 VAL HG21 H 1 0.699 . . 2 . . . . 56 VAL HG21 . 6575 1 543 . 1 1 56 56 VAL HG22 H 1 0.699 . . 2 . . . . 56 VAL HG21 . 6575 1 544 . 1 1 56 56 VAL HG23 H 1 0.699 . . 2 . . . . 56 VAL HG21 . 6575 1 545 . 1 1 56 56 VAL C C 13 172.969 . . 1 . . . . 56 VAL C . 6575 1 546 . 1 1 56 56 VAL CA C 13 61.291 . . 1 . . . . 56 VAL CA . 6575 1 547 . 1 1 56 56 VAL CB C 13 34.350 . . 1 . . . . 56 VAL CB . 6575 1 548 . 1 1 56 56 VAL CG1 C 13 20.770 . . 1 . . . . 56 VAL CG1 . 6575 1 549 . 1 1 56 56 VAL CG2 C 13 20.770 . . 1 . . . . 56 VAL CG2 . 6575 1 550 . 1 1 56 56 VAL N N 15 129.263 . . 1 . . . . 56 VAL N . 6575 1 551 . 1 1 57 57 ASP H H 1 9.082 . . 1 . . . . 57 ASP HN . 6575 1 552 . 1 1 57 57 ASP HA H 1 3.994 . . 1 . . . . 57 ASP HA . 6575 1 553 . 1 1 57 57 ASP HB2 H 1 2.448 . . 2 . . . . 57 ASP HB1 . 6575 1 554 . 1 1 57 57 ASP HB3 H 1 2.718 . . 2 . . . . 57 ASP HB2 . 6575 1 555 . 1 1 57 57 ASP C C 13 169.189 . . 1 . . . . 57 ASP C . 6575 1 556 . 1 1 57 57 ASP CA C 13 55.780 . . 1 . . . . 57 ASP CA . 6575 1 557 . 1 1 57 57 ASP CB C 13 39.366 . . 1 . . . . 57 ASP CB . 6575 1 558 . 1 1 57 57 ASP N N 15 126.825 . . 1 . . . . 57 ASP N . 6575 1 559 . 1 1 58 58 ASN H H 1 8.398 . . 1 . . . . 58 ASN HN . 6575 1 560 . 1 1 58 58 ASN HA H 1 3.940 . . 1 . . . . 58 ASN HA . 6575 1 561 . 1 1 58 58 ASN HB2 H 1 2.886 . . 2 . . . . 58 ASN HB2 . 6575 1 562 . 1 1 58 58 ASN C C 13 171.257 . . 1 . . . . 58 ASN C . 6575 1 563 . 1 1 58 58 ASN CA C 13 54.886 . . 1 . . . . 58 ASN CA . 6575 1 564 . 1 1 58 58 ASN CB C 13 38.338 . . 1 . . . . 58 ASN CB . 6575 1 565 . 1 1 58 58 ASN N N 15 108.057 . . 1 . . . . 58 ASN N . 6575 1 566 . 1 1 59 59 VAL H H 1 7.706 . . 1 . . . . 59 VAL HN . 6575 1 567 . 1 1 59 59 VAL HA H 1 4.309 . . 1 . . . . 59 VAL HA . 6575 1 568 . 1 1 59 59 VAL HB H 1 1.797 . . 1 . . . . 59 VAL HB . 6575 1 569 . 1 1 59 59 VAL HG11 H 1 0.582 . . 2 . . . . 59 VAL HG11 . 6575 1 570 . 1 1 59 59 VAL HG12 H 1 0.582 . . 2 . . . . 59 VAL HG11 . 6575 1 571 . 1 1 59 59 VAL HG13 H 1 0.582 . . 2 . . . . 59 VAL HG11 . 6575 1 572 . 1 1 59 59 VAL HG21 H 1 0.666 . . 2 . . . . 59 VAL HG21 . 6575 1 573 . 1 1 59 59 VAL HG22 H 1 0.666 . . 2 . . . . 59 VAL HG21 . 6575 1 574 . 1 1 59 59 VAL HG23 H 1 0.666 . . 2 . . . . 59 VAL HG21 . 6575 1 575 . 1 1 59 59 VAL C C 13 171.031 . . 1 . . . . 59 VAL C . 6575 1 576 . 1 1 59 59 VAL CA C 13 60.461 . . 1 . . . . 59 VAL CA . 6575 1 577 . 1 1 59 59 VAL CB C 13 34.755 . . 1 . . . . 59 VAL CB . 6575 1 578 . 1 1 59 59 VAL CG1 C 13 22.349 . . 1 . . . . 59 VAL CG1 . 6575 1 579 . 1 1 59 59 VAL CG2 C 13 20.015 . . 1 . . . . 59 VAL CG2 . 6575 1 580 . 1 1 59 59 VAL N N 15 116.609 . . 1 . . . . 59 VAL N . 6575 1 581 . 1 1 60 60 TYR H H 1 8.864 . . 1 . . . . 60 TYR HN . 6575 1 582 . 1 1 60 60 TYR HA H 1 4.607 . . 1 . . . . 60 TYR HA . 6575 1 583 . 1 1 60 60 TYR HB2 H 1 2.450 . . 2 . . . . 60 TYR HB1 . 6575 1 584 . 1 1 60 60 TYR HB3 H 1 2.680 . . 2 . . . . 60 TYR HB2 . 6575 1 585 . 1 1 60 60 TYR C C 13 173.782 . . 1 . . . . 60 TYR C . 6575 1 586 . 1 1 60 60 TYR CA C 13 58.500 . . 1 . . . . 60 TYR CA . 6575 1 587 . 1 1 60 60 TYR CB C 13 38.934 . . 1 . . . . 60 TYR CB . 6575 1 588 . 1 1 60 60 TYR N N 15 121.824 . . 1 . . . . 60 TYR N . 6575 1 589 . 1 1 61 61 CYS H H 1 9.441 . . 1 . . . . 61 CYS HN . 6575 1 590 . 1 1 61 61 CYS HA H 1 5.278 . . 1 . . . . 61 CYS HA . 6575 1 591 . 1 1 61 61 CYS HB2 H 1 2.795 . . 2 . . . . 61 CYS HB1 . 6575 1 592 . 1 1 61 61 CYS C C 13 171.920 . . 1 . . . . 61 CYS C . 6575 1 593 . 1 1 61 61 CYS CA C 13 58.372 . . 1 . . . . 61 CYS CA . 6575 1 594 . 1 1 61 61 CYS CB C 13 30.297 . . 1 . . . . 61 CYS CB . 6575 1 595 . 1 1 61 61 CYS N N 15 121.797 . . 1 . . . . 61 CYS N . 6575 1 596 . 1 1 62 62 ILE H H 1 8.226 . . 1 . . . . 62 ILE HN . 6575 1 597 . 1 1 62 62 ILE HA H 1 4.617 . . 1 . . . . 62 ILE HA . 6575 1 598 . 1 1 62 62 ILE HB H 1 1.962 . . 1 . . . . 62 ILE HB . 6575 1 599 . 1 1 62 62 ILE HG12 H 1 0.991 . . 1 . . . . 62 ILE HG11 . 6575 1 600 . 1 1 62 62 ILE HG13 H 1 1.164 . . 1 . . . . 62 ILE HG12 . 6575 1 601 . 1 1 62 62 ILE HG21 H 1 1.664 . . 2 . . . . 62 ILE HG21 . 6575 1 602 . 1 1 62 62 ILE HG22 H 1 1.664 . . 2 . . . . 62 ILE HG21 . 6575 1 603 . 1 1 62 62 ILE HG23 H 1 1.664 . . 2 . . . . 62 ILE HG21 . 6575 1 604 . 1 1 62 62 ILE HD11 H 1 0.490 . . 1 . . . . 62 ILE HD11 . 6575 1 605 . 1 1 62 62 ILE HD12 H 1 0.490 . . 1 . . . . 62 ILE HD11 . 6575 1 606 . 1 1 62 62 ILE HD13 H 1 0.490 . . 1 . . . . 62 ILE HD11 . 6575 1 607 . 1 1 62 62 ILE C C 13 172.595 . . 1 . . . . 62 ILE C . 6575 1 608 . 1 1 62 62 ILE CA C 13 59.950 . . 1 . . . . 62 ILE CA . 6575 1 609 . 1 1 62 62 ILE CB C 13 39.760 . . 1 . . . . 62 ILE CB . 6575 1 610 . 1 1 62 62 ILE CG1 C 13 28.044 . . 2 . . . . 62 ILE CG1 . 6575 1 611 . 1 1 62 62 ILE CG2 C 13 16.091 . . 1 . . . . 62 ILE CG2 . 6575 1 612 . 1 1 62 62 ILE CD1 C 13 13.638 . . 1 . . . . 62 ILE CD1 . 6575 1 613 . 1 1 62 62 ILE N N 15 123.198 . . 1 . . . . 62 ILE N . 6575 1 614 . 1 1 63 63 GLY H H 1 9.010 . . 1 . . . . 63 GLY HN . 6575 1 615 . 1 1 63 63 GLY HA2 H 1 3.846 . . 2 . . . . 63 GLY HA1 . 6575 1 616 . 1 1 63 63 GLY HA3 H 1 3.728 . . 2 . . . . 63 GLY HA2 . 6575 1 617 . 1 1 63 63 GLY C C 13 47.270 . . 1 . . . . 63 GLY C . 6575 1 618 . 1 1 63 63 GLY CA C 13 47.270 . . 1 . . . . 63 GLY CA . 6575 1 619 . 1 1 63 63 GLY N N 15 117.197 . . 1 . . . . 63 GLY N . 6575 1 620 . 1 1 66 66 ARG H H 1 7.660 . . 1 . . . . 66 ARG HN . 6575 1 621 . 1 1 66 66 ARG HA H 1 4.885 . . 1 . . . . 66 ARG HA . 6575 1 622 . 1 1 66 66 ARG HB2 H 1 1.280 . . 2 . . . . 66 ARG HB1 . 6575 1 623 . 1 1 66 66 ARG HG2 H 1 1.279 . . 2 . . . . 66 ARG HG1 . 6575 1 624 . 1 1 66 66 ARG HG3 H 1 1.380 . . 2 . . . . 66 ARG HG2 . 6575 1 625 . 1 1 66 66 ARG HD2 H 1 2.930 . . 2 . . . . 66 ARG HD1 . 6575 1 626 . 1 1 66 66 ARG C C 13 172.871 . . 1 . . . . 66 ARG C . 6575 1 627 . 1 1 66 66 ARG CA C 13 54.694 . . 1 . . . . 66 ARG CA . 6575 1 628 . 1 1 66 66 ARG CB C 13 33.306 . . 1 . . . . 66 ARG CB . 6575 1 629 . 1 1 66 66 ARG CG C 13 27.318 . . 1 . . . . 66 ARG CG . 6575 1 630 . 1 1 66 66 ARG CD C 13 43.760 . . 1 . . . . 66 ARG CD . 6575 1 631 . 1 1 66 66 ARG N N 15 120.619 . . 1 . . . . 66 ARG N . 6575 1 632 . 1 1 67 67 PHE H H 1 9.212 . . 1 . . . . 67 PHE HN . 6575 1 633 . 1 1 67 67 PHE HA H 1 4.684 . . 1 . . . . 67 PHE HA . 6575 1 634 . 1 1 67 67 PHE HB2 H 1 2.563 . . 2 . . . . 67 PHE HB1 . 6575 1 635 . 1 1 67 67 PHE HB3 H 1 3.237 . . 2 . . . . 67 PHE HB2 . 6575 1 636 . 1 1 67 67 PHE C C 13 173.110 . . 1 . . . . 67 PHE C . 6575 1 637 . 1 1 67 67 PHE CA C 13 56.873 . . 1 . . . . 67 PHE CA . 6575 1 638 . 1 1 67 67 PHE CB C 13 43.423 . . 1 . . . . 67 PHE CB . 6575 1 639 . 1 1 67 67 PHE N N 15 119.722 . . 1 . . . . 67 PHE N . 6575 1 640 . 1 1 68 68 HIS H H 1 9.575 . . 1 . . . . 68 HIS HN . 6575 1 641 . 1 1 68 68 HIS HA H 1 4.555 . . 1 . . . . 68 HIS HA . 6575 1 642 . 1 1 68 68 HIS HB2 H 1 3.367 . . 2 . . . . 68 HIS HB1 . 6575 1 643 . 1 1 68 68 HIS C C 13 172.854 . . 1 . . . . 68 HIS C . 6575 1 644 . 1 1 68 68 HIS CA C 13 59.379 . . 1 . . . . 68 HIS CA . 6575 1 645 . 1 1 68 68 HIS CB C 13 30.054 . . 1 . . . . 68 HIS CB . 6575 1 646 . 1 1 68 68 HIS N N 15 120.190 . . 1 . . . . 68 HIS N . 6575 1 647 . 1 1 69 69 THR H H 1 7.298 . . 1 . . . . 69 THR HN . 6575 1 648 . 1 1 69 69 THR HA H 1 4.686 . . 1 . . . . 69 THR HA . 6575 1 649 . 1 1 69 69 THR HB H 1 4.770 . . 1 . . . . 69 THR HB . 6575 1 650 . 1 1 69 69 THR HG21 H 1 1.217 . . 1 . . . . 69 THR HG1 . 6575 1 651 . 1 1 69 69 THR HG22 H 1 1.217 . . 1 . . . . 69 THR HG1 . 6575 1 652 . 1 1 69 69 THR HG23 H 1 1.217 . . 1 . . . . 69 THR HG1 . 6575 1 653 . 1 1 69 69 THR C C 13 171.731 . . 1 . . . . 69 THR C . 6575 1 654 . 1 1 69 69 THR CA C 13 58.956 . . 1 . . . . 69 THR CA . 6575 1 655 . 1 1 69 69 THR CB C 13 73.581 . . 1 . . . . 69 THR CB . 6575 1 656 . 1 1 69 69 THR CG2 C 13 29.600 . . 1 . . . . 69 THR CG2 . 6575 1 657 . 1 1 69 69 THR N N 15 102.998 . . 1 . . . . 69 THR N . 6575 1 658 . 1 1 70 70 MET H H 1 8.600 . . 1 . . . . 70 MET HN . 6575 1 659 . 1 1 70 70 MET HA H 1 3.641 . . 1 . . . . 70 MET HA . 6575 1 660 . 1 1 70 70 MET HB2 H 1 1.570 . . 2 . . . . 70 MET HB1 . 6575 1 661 . 1 1 70 70 MET HB3 H 1 1.480 . . 2 . . . . 70 MET HB2 . 6575 1 662 . 1 1 70 70 MET HG2 H 1 2.280 . . 2 . . . . 70 MET HG1 . 6575 1 663 . 1 1 70 70 MET C C 13 175.227 . . 1 . . . . 70 MET C . 6575 1 664 . 1 1 70 70 MET CA C 13 56.078 . . 1 . . . . 70 MET CA . 6575 1 665 . 1 1 70 70 MET CB C 13 32.736 . . 1 . . . . 70 MET CB . 6575 1 666 . 1 1 70 70 MET CG C 13 31.067 . . 1 . . . . 70 MET CG . 6575 1 667 . 1 1 70 70 MET N N 15 120.378 . . 1 . . . . 70 MET N . 6575 1 668 . 1 1 71 71 ASP H H 1 7.930 . . 1 . . . . 71 ASP HN . 6575 1 669 . 1 1 71 71 ASP HA H 1 4.116 . . 1 . . . . 71 ASP HA . 6575 1 670 . 1 1 71 71 ASP HB2 H 1 2.500 . . 2 . . . . 71 ASP HB1 . 6575 1 671 . 1 1 71 71 ASP HB3 H 1 2.612 . . 2 . . . . 71 ASP HB2 . 6575 1 672 . 1 1 71 71 ASP C C 13 175.777 . . 1 . . . . 71 ASP C . 6575 1 673 . 1 1 71 71 ASP CA C 13 57.285 . . 1 . . . . 71 ASP CA . 6575 1 674 . 1 1 71 71 ASP CB C 13 40.656 . . 1 . . . . 71 ASP CB . 6575 1 675 . 1 1 71 71 ASP N N 15 116.500 . . 1 . . . . 71 ASP N . 6575 1 676 . 1 1 72 72 GLU H H 1 7.693 . . 1 . . . . 72 GLU HN . 6575 1 677 . 1 1 72 72 GLU HA H 1 3.756 . . 1 . . . . 72 GLU HA . 6575 1 678 . 1 1 72 72 GLU HB2 H 1 2.173 . . 2 . . . . 72 GLU HB1 . 6575 1 679 . 1 1 72 72 GLU HG2 H 1 2.281 . . 2 . . . . 72 GLU HG1 . 6575 1 680 . 1 1 72 72 GLU HG3 H 1 2.350 . . 2 . . . . 72 GLU HG2 . 6575 1 681 . 1 1 72 72 GLU C C 13 175.802 . . 1 . . . . 72 GLU C . 6575 1 682 . 1 1 72 72 GLU CA C 13 58.961 . . 1 . . . . 72 GLU CA . 6575 1 683 . 1 1 72 72 GLU CB C 13 30.887 . . 1 . . . . 72 GLU CB . 6575 1 684 . 1 1 72 72 GLU CG C 13 37.264 . . 1 . . . . 72 GLU CG . 6575 1 685 . 1 1 72 72 GLU N N 15 118.442 . . 1 . . . . 72 GLU N . 6575 1 686 . 1 1 73 73 LEU H H 1 6.585 . . 1 . . . . 73 LEU HN . 6575 1 687 . 1 1 73 73 LEU HA H 1 1.880 . . 1 . . . . 73 LEU HA . 6575 1 688 . 1 1 73 73 LEU HB2 H 1 0.756 . . 2 . . . . 73 LEU HB1 . 6575 1 689 . 1 1 73 73 LEU HB3 H 1 1.483 . . 2 . . . . 73 LEU HB2 . 6575 1 690 . 1 1 73 73 LEU HG H 1 0.682 . . 1 . . . . 73 LEU HG . 6575 1 691 . 1 1 73 73 LEU HD11 H 1 0.295 . . 2 . . . . 73 LEU HD11 . 6575 1 692 . 1 1 73 73 LEU HD12 H 1 0.295 . . 2 . . . . 73 LEU HD11 . 6575 1 693 . 1 1 73 73 LEU HD13 H 1 0.295 . . 2 . . . . 73 LEU HD11 . 6575 1 694 . 1 1 73 73 LEU HD21 H 1 1.057 . . 2 . . . . 73 LEU HD21 . 6575 1 695 . 1 1 73 73 LEU HD22 H 1 1.057 . . 2 . . . . 73 LEU HD21 . 6575 1 696 . 1 1 73 73 LEU HD23 H 1 1.057 . . 2 . . . . 73 LEU HD21 . 6575 1 697 . 1 1 73 73 LEU C C 13 174.775 . . 1 . . . . 73 LEU C . 6575 1 698 . 1 1 73 73 LEU CA C 13 58.918 . . 1 . . . . 73 LEU CA . 6575 1 699 . 1 1 73 73 LEU CB C 13 41.872 . . 1 . . . . 73 LEU CB . 6575 1 700 . 1 1 73 73 LEU CG C 13 29.346 . . 1 . . . . 73 LEU CG . 6575 1 701 . 1 1 73 73 LEU CD1 C 13 23.000 . . 1 . . . . 73 LEU CD1 . 6575 1 702 . 1 1 73 73 LEU CD2 C 13 27.425 . . 1 . . . . 73 LEU CD2 . 6575 1 703 . 1 1 73 73 LEU N N 15 122.996 . . 1 . . . . 73 LEU N . 6575 1 704 . 1 1 74 74 VAL H H 1 7.600 . . 1 . . . . 74 VAL HN . 6575 1 705 . 1 1 74 74 VAL HA H 1 2.690 . . 1 . . . . 74 VAL HA . 6575 1 706 . 1 1 74 74 VAL HB H 1 1.499 . . 1 . . . . 74 VAL HB . 6575 1 707 . 1 1 74 74 VAL HG11 H 1 0.301 . . 2 . . . . 74 VAL HG11 . 6575 1 708 . 1 1 74 74 VAL HG12 H 1 0.301 . . 2 . . . . 74 VAL HG11 . 6575 1 709 . 1 1 74 74 VAL HG13 H 1 0.301 . . 2 . . . . 74 VAL HG11 . 6575 1 710 . 1 1 74 74 VAL HG21 H 1 -0.299 . . 2 . . . . 74 VAL HG21 . 6575 1 711 . 1 1 74 74 VAL HG22 H 1 -0.299 . . 2 . . . . 74 VAL HG21 . 6575 1 712 . 1 1 74 74 VAL HG23 H 1 -0.299 . . 2 . . . . 74 VAL HG21 . 6575 1 713 . 1 1 74 74 VAL C C 13 174.597 . . 1 . . . . 74 VAL C . 6575 1 714 . 1 1 74 74 VAL CA C 13 66.421 . . 1 . . . . 74 VAL CA . 6575 1 715 . 1 1 74 74 VAL CB C 13 31.389 . . 1 . . . . 74 VAL CB . 6575 1 716 . 1 1 74 74 VAL CG1 C 13 21.499 . . 1 . . . . 74 VAL CG1 . 6575 1 717 . 1 1 74 74 VAL CG2 C 13 22.400 . . 1 . . . . 74 VAL CG2 . 6575 1 718 . 1 1 74 74 VAL N N 15 118.422 . . 1 . . . . 74 VAL N . 6575 1 719 . 1 1 75 75 GLU H H 1 7.535 . . 1 . . . . 75 GLU HN . 6575 1 720 . 1 1 75 75 GLU HA H 1 3.667 . . 1 . . . . 75 GLU HA . 6575 1 721 . 1 1 75 75 GLU HB2 H 1 1.839 . . 2 . . . . 75 GLU HB1 . 6575 1 722 . 1 1 75 75 GLU C C 13 177.425 . . 1 . . . . 75 GLU C . 6575 1 723 . 1 1 75 75 GLU CA C 13 58.709 . . 1 . . . . 75 GLU CA . 6575 1 724 . 1 1 75 75 GLU CB C 13 29.284 . . 1 . . . . 75 GLU CB . 6575 1 725 . 1 1 75 75 GLU CG C 13 36.045 . . 1 . . . . 75 GLU CG . 6575 1 726 . 1 1 75 75 GLU N N 15 114.655 . . 1 . . . . 75 GLU N . 6575 1 727 . 1 1 76 76 HIS H H 1 7.821 . . 1 . . . . 76 HIS HN . 6575 1 728 . 1 1 76 76 HIS HA H 1 3.930 . . 1 . . . . 76 HIS HA . 6575 1 729 . 1 1 76 76 HIS HB2 H 1 2.860 . . 2 . . . . 76 HIS HB1 . 6575 1 730 . 1 1 76 76 HIS HB3 H 1 2.650 . . 2 . . . . 76 HIS HB2 . 6575 1 731 . 1 1 76 76 HIS C C 13 175.938 . . 1 . . . . 76 HIS C . 6575 1 732 . 1 1 76 76 HIS CA C 13 60.252 . . 1 . . . . 76 HIS CA . 6575 1 733 . 1 1 76 76 HIS CB C 13 30.718 . . 1 . . . . 76 HIS CB . 6575 1 734 . 1 1 76 76 HIS N N 15 118.497 . . 1 . . . . 76 HIS N . 6575 1 735 . 1 1 77 77 TYR H H 1 7.269 . . 1 . . . . 77 TYR HN . 6575 1 736 . 1 1 77 77 TYR HA H 1 5.284 . . 1 . . . . 77 TYR HA . 6575 1 737 . 1 1 77 77 TYR HB2 H 1 2.123 . . 2 . . . . 77 TYR HB1 . 6575 1 738 . 1 1 77 77 TYR HB3 H 1 3.185 . . 2 . . . . 77 TYR HB2 . 6575 1 739 . 1 1 77 77 TYR C C 13 172.453 . . 1 . . . . 77 TYR C . 6575 1 740 . 1 1 77 77 TYR CA C 13 60.187 . . 1 . . . . 77 TYR CA . 6575 1 741 . 1 1 77 77 TYR CB C 13 37.067 . . 1 . . . . 77 TYR CB . 6575 1 742 . 1 1 77 77 TYR N N 15 114.655 . . 1 . . . . 77 TYR N . 6575 1 743 . 1 1 78 78 LYS H H 1 7.062 . . 1 . . . . 78 LYS HN . 6575 1 744 . 1 1 78 78 LYS HA H 1 4.850 . . 1 . . . . 78 LYS HA . 6575 1 745 . 1 1 78 78 LYS HB2 H 1 1.751 . . 2 . . . . 78 LYS HB2 . 6575 1 746 . 1 1 78 78 LYS HG2 H 1 1.180 . . 2 . . . . 78 LYS HG1 . 6575 1 747 . 1 1 78 78 LYS HG3 H 1 1.558 . . 2 . . . . 78 LYS HG2 . 6575 1 748 . 1 1 78 78 LYS HD2 H 1 1.527 . . 2 . . . . 78 LYS HD2 . 6575 1 749 . 1 1 78 78 LYS HE2 H 1 2.728 . . 2 . . . . 78 LYS HE1 . 6575 1 750 . 1 1 78 78 LYS HE3 H 1 2.589 . . 2 . . . . 78 LYS HE2 . 6575 1 751 . 1 1 78 78 LYS C C 13 176.518 . . 1 . . . . 78 LYS C . 6575 1 752 . 1 1 78 78 LYS CA C 13 57.587 . . 1 . . . . 78 LYS CA . 6575 1 753 . 1 1 78 78 LYS CB C 13 33.973 . . 1 . . . . 78 LYS CB . 6575 1 754 . 1 1 78 78 LYS CG C 13 25.073 . . 1 . . . . 78 LYS CG . 6575 1 755 . 1 1 78 78 LYS CD C 13 30.177 . . 1 . . . . 78 LYS CD . 6575 1 756 . 1 1 78 78 LYS CE C 13 42.155 . . 1 . . . . 78 LYS CE . 6575 1 757 . 1 1 78 78 LYS N N 15 116.333 . . 1 . . . . 78 LYS N . 6575 1 758 . 1 1 79 79 LYS H H 1 6.997 . . 1 . . . . 79 LYS HN . 6575 1 759 . 1 1 79 79 LYS HA H 1 4.185 . . 1 . . . . 79 LYS HA . 6575 1 760 . 1 1 79 79 LYS HB2 H 1 1.503 . . 2 . . . . 79 LYS HB1 . 6575 1 761 . 1 1 79 79 LYS HB3 H 1 1.629 . . 2 . . . . 79 LYS HB2 . 6575 1 762 . 1 1 79 79 LYS HG2 H 1 1.225 . . 2 . . . . 79 LYS HG2 . 6575 1 763 . 1 1 79 79 LYS HD2 H 1 1.503 . . 2 . . . . 79 LYS HD2 . 6575 1 764 . 1 1 79 79 LYS HE2 H 1 2.818 . . 2 . . . . 79 LYS HE2 . 6575 1 765 . 1 1 79 79 LYS C C 13 172.225 . . 1 . . . . 79 LYS C . 6575 1 766 . 1 1 79 79 LYS CA C 13 55.912 . . 1 . . . . 79 LYS CA . 6575 1 767 . 1 1 79 79 LYS CB C 13 34.531 . . 1 . . . . 79 LYS CB . 6575 1 768 . 1 1 79 79 LYS CG C 13 24.793 . . 1 . . . . 79 LYS CG . 6575 1 769 . 1 1 79 79 LYS CD C 13 28.875 . . 1 . . . . 79 LYS CD . 6575 1 770 . 1 1 79 79 LYS CE C 13 42.107 . . 1 . . . . 79 LYS CE . 6575 1 771 . 1 1 79 79 LYS N N 15 115.394 . . 1 . . . . 79 LYS N . 6575 1 772 . 1 1 80 80 ALA H H 1 8.021 . . 1 . . . . 80 ALA HN . 6575 1 773 . 1 1 80 80 ALA HA H 1 4.706 . . 1 . . . . 80 ALA HA . 6575 1 774 . 1 1 80 80 ALA HB1 H 1 0.722 . . 1 . . . . 80 ALA HB1 . 6575 1 775 . 1 1 80 80 ALA HB2 H 1 0.722 . . 1 . . . . 80 ALA HB1 . 6575 1 776 . 1 1 80 80 ALA HB3 H 1 0.722 . . 1 . . . . 80 ALA HB1 . 6575 1 777 . 1 1 80 80 ALA CA C 13 48.767 . . 1 . . . . 80 ALA CA . 6575 1 778 . 1 1 80 80 ALA CB C 13 19.270 . . 1 . . . . 80 ALA CB . 6575 1 779 . 1 1 80 80 ALA N N 15 126.539 . . 1 . . . . 80 ALA N . 6575 1 780 . 1 1 81 81 PRO HA H 1 3.560 . . 1 . . . . 81 PRO HA . 6575 1 781 . 1 1 81 81 PRO HB2 H 1 1.408 . . 2 . . . . 81 PRO HB1 . 6575 1 782 . 1 1 81 81 PRO HB3 H 1 1.064 . . 2 . . . . 81 PRO HB2 . 6575 1 783 . 1 1 81 81 PRO HG2 H 1 1.780 . . 2 . . . . 81 PRO HG1 . 6575 1 784 . 1 1 81 81 PRO HD2 H 1 3.500 . . 2 . . . . 81 PRO HD1 . 6575 1 785 . 1 1 81 81 PRO C C 13 175.916 . . 1 . . . . 81 PRO C . 6575 1 786 . 1 1 81 81 PRO CA C 13 62.600 . . 1 . . . . 81 PRO CA . 6575 1 787 . 1 1 81 81 PRO CB C 13 31.494 . . 1 . . . . 81 PRO CB . 6575 1 788 . 1 1 81 81 PRO CG C 13 27.557 . . 1 . . . . 81 PRO CG . 6575 1 789 . 1 1 81 81 PRO CD C 13 49.313 . . 1 . . . . 81 PRO CD . 6575 1 790 . 1 1 82 82 ILE H H 1 8.320 . . 1 . . . . 82 ILE HN . 6575 1 791 . 1 1 82 82 ILE HA H 1 3.796 . . 1 . . . . 82 ILE HA . 6575 1 792 . 1 1 82 82 ILE HB H 1 0.830 . . 1 . . . . 82 ILE HB . 6575 1 793 . 1 1 82 82 ILE HG12 H 1 -0.382 . . 1 . . . . 82 ILE HG11 . 6575 1 794 . 1 1 82 82 ILE HG13 H 1 -0.232 . . 1 . . . . 82 ILE HG12 . 6575 1 795 . 1 1 82 82 ILE HG21 H 1 -0.012 . . 2 . . . . 82 ILE HG21 . 6575 1 796 . 1 1 82 82 ILE HG22 H 1 -0.012 . . 2 . . . . 82 ILE HG21 . 6575 1 797 . 1 1 82 82 ILE HG23 H 1 -0.012 . . 2 . . . . 82 ILE HG21 . 6575 1 798 . 1 1 82 82 ILE HD11 H 1 -0.456 . . 1 . . . . 82 ILE HD11 . 6575 1 799 . 1 1 82 82 ILE HD12 H 1 -0.456 . . 1 . . . . 82 ILE HD11 . 6575 1 800 . 1 1 82 82 ILE HD13 H 1 -0.456 . . 1 . . . . 82 ILE HD11 . 6575 1 801 . 1 1 82 82 ILE C C 13 170.677 . . 1 . . . . 82 ILE C . 6575 1 802 . 1 1 82 82 ILE CA C 13 60.995 . . 1 . . . . 82 ILE CA . 6575 1 803 . 1 1 82 82 ILE CB C 13 39.759 . . 1 . . . . 82 ILE CB . 6575 1 804 . 1 1 82 82 ILE CG1 C 13 28.560 . . 2 . . . . 82 ILE CG1 . 6575 1 805 . 1 1 82 82 ILE CG2 C 13 13.813 . . 1 . . . . 82 ILE CG2 . 6575 1 806 . 1 1 82 82 ILE CD1 C 13 13.813 . . 1 . . . . 82 ILE CD1 . 6575 1 807 . 1 1 82 82 ILE N N 15 123.740 . . 1 . . . . 82 ILE N . 6575 1 808 . 1 1 83 83 PHE H H 1 7.057 . . 1 . . . . 83 PHE HN . 6575 1 809 . 1 1 83 83 PHE HA H 1 4.389 . . 1 . . . . 83 PHE HA . 6575 1 810 . 1 1 83 83 PHE HB2 H 1 2.279 . . 2 . . . . 83 PHE HB1 . 6575 1 811 . 1 1 83 83 PHE HB3 H 1 3.090 . . 2 . . . . 83 PHE HB2 . 6575 1 812 . 1 1 83 83 PHE C C 13 170.177 . . 1 . . . . 83 PHE C . 6575 1 813 . 1 1 83 83 PHE CA C 13 57.754 . . 1 . . . . 83 PHE CA . 6575 1 814 . 1 1 83 83 PHE CB C 13 43.601 . . 1 . . . . 83 PHE CB . 6575 1 815 . 1 1 83 83 PHE N N 15 120.248 . . 1 . . . . 83 PHE N . 6575 1 816 . 1 1 84 84 THR H H 1 7.251 . . 1 . . . . 84 THR HN . 6575 1 817 . 1 1 84 84 THR HA H 1 4.785 . . 1 . . . . 84 THR HA . 6575 1 818 . 1 1 84 84 THR HB H 1 3.491 . . 1 . . . . 84 THR HB . 6575 1 819 . 1 1 84 84 THR HG21 H 1 0.854 . . 1 . . . . 84 THR HG1 . 6575 1 820 . 1 1 84 84 THR HG22 H 1 0.854 . . 1 . . . . 84 THR HG1 . 6575 1 821 . 1 1 84 84 THR HG23 H 1 0.854 . . 1 . . . . 84 THR HG1 . 6575 1 822 . 1 1 84 84 THR C C 13 170.838 . . 1 . . . . 84 THR C . 6575 1 823 . 1 1 84 84 THR CA C 13 60.630 . . 1 . . . . 84 THR CA . 6575 1 824 . 1 1 84 84 THR CB C 13 70.457 . . 1 . . . . 84 THR CB . 6575 1 825 . 1 1 84 84 THR CG2 C 13 20.493 . . 1 . . . . 84 THR CG2 . 6575 1 826 . 1 1 84 84 THR N N 15 122.163 . . 1 . . . . 84 THR N . 6575 1 827 . 1 1 85 85 SER H H 1 8.859 . . 1 . . . . 85 SER HN . 6575 1 828 . 1 1 85 85 SER HA H 1 4.247 . . 1 . . . . 85 SER HA . 6575 1 829 . 1 1 85 85 SER HB2 H 1 4.000 . . 2 . . . . 85 SER HB1 . 6575 1 830 . 1 1 85 85 SER HB3 H 1 4.410 . . 2 . . . . 85 SER HB2 . 6575 1 831 . 1 1 85 85 SER CA C 13 56.857 . . 1 . . . . 85 SER CA . 6575 1 832 . 1 1 85 85 SER CB C 13 65.945 . . 1 . . . . 85 SER CB . 6575 1 833 . 1 1 85 85 SER N N 15 121.213 . . 1 . . . . 85 SER N . 6575 1 834 . 1 1 87 87 HIS H H 1 8.328 . . 1 . . . . 87 HIS HN . 6575 1 835 . 1 1 87 87 HIS HA H 1 4.220 . . 1 . . . . 87 HIS HA . 6575 1 836 . 1 1 87 87 HIS HB2 H 1 1.913 . . 2 . . . . 87 HIS HB1 . 6575 1 837 . 1 1 87 87 HIS HB3 H 1 1.240 . . 2 . . . . 87 HIS HB2 . 6575 1 838 . 1 1 87 87 HIS C C 13 173.008 . . 1 . . . . 87 HIS C . 6575 1 839 . 1 1 87 87 HIS CA C 13 55.202 . . 1 . . . . 87 HIS CA . 6575 1 840 . 1 1 87 87 HIS CB C 13 30.688 . . 1 . . . . 87 HIS CB . 6575 1 841 . 1 1 87 87 HIS N N 15 120.126 . . 1 . . . . 87 HIS N . 6575 1 842 . 1 1 88 88 GLY H H 1 7.780 . . 1 . . . . 88 GLY HN . 6575 1 843 . 1 1 88 88 GLY HA2 H 1 4.053 . . 2 . . . . 88 GLY HA1 . 6575 1 844 . 1 1 88 88 GLY HA3 H 1 3.349 . . 2 . . . . 88 GLY HA2 . 6575 1 845 . 1 1 88 88 GLY C C 13 171.860 . . 1 . . . . 88 GLY C . 6575 1 846 . 1 1 88 88 GLY CA C 13 45.412 . . 1 . . . . 88 GLY CA . 6575 1 847 . 1 1 88 88 GLY N N 15 107.910 . . 1 . . . . 88 GLY N . 6575 1 848 . 1 1 89 89 GLU H H 1 7.728 . . 1 . . . . 89 GLU HN . 6575 1 849 . 1 1 89 89 GLU HA H 1 4.415 . . 1 . . . . 89 GLU HA . 6575 1 850 . 1 1 89 89 GLU HB2 H 1 1.840 . . 2 . . . . 89 GLU HB1 . 6575 1 851 . 1 1 89 89 GLU HG2 H 1 1.949 . . 2 . . . . 89 GLU HG1 . 6575 1 852 . 1 1 89 89 GLU HG3 H 1 2.066 . . 2 . . . . 89 GLU HG2 . 6575 1 853 . 1 1 89 89 GLU C C 13 173.382 . . 1 . . . . 89 GLU C . 6575 1 854 . 1 1 89 89 GLU CA C 13 56.695 . . 1 . . . . 89 GLU CA . 6575 1 855 . 1 1 89 89 GLU CB C 13 29.873 . . 1 . . . . 89 GLU CB . 6575 1 856 . 1 1 89 89 GLU CG C 13 36.342 . . 1 . . . . 89 GLU CG . 6575 1 857 . 1 1 89 89 GLU N N 15 120.220 . . 1 . . . . 89 GLU N . 6575 1 858 . 1 1 90 90 LYS H H 1 8.542 . . 1 . . . . 90 LYS HN . 6575 1 859 . 1 1 90 90 LYS HA H 1 4.550 . . 1 . . . . 90 LYS HA . 6575 1 860 . 1 1 90 90 LYS HB2 H 1 1.150 . . 2 . . . . 90 LYS HB1 . 6575 1 861 . 1 1 90 90 LYS HB3 H 1 1.654 . . 2 . . . . 90 LYS HB2 . 6575 1 862 . 1 1 90 90 LYS HG2 H 1 1.356 . . 2 . . . . 90 LYS HG1 . 6575 1 863 . 1 1 90 90 LYS HG3 H 1 1.255 . . 2 . . . . 90 LYS HG2 . 6575 1 864 . 1 1 90 90 LYS HD2 H 1 1.544 . . 2 . . . . 90 LYS HD2 . 6575 1 865 . 1 1 90 90 LYS HE2 H 1 2.896 . . 2 . . . . 90 LYS HE2 . 6575 1 866 . 1 1 90 90 LYS C C 13 172.322 . . 1 . . . . 90 LYS C . 6575 1 867 . 1 1 90 90 LYS CA C 13 56.308 . . 1 . . . . 90 LYS CA . 6575 1 868 . 1 1 90 90 LYS CB C 13 34.856 . . 1 . . . . 90 LYS CB . 6575 1 869 . 1 1 90 90 LYS CG C 13 25.505 . . 1 . . . . 90 LYS CG . 6575 1 870 . 1 1 90 90 LYS CD C 13 29.850 . . 1 . . . . 90 LYS CD . 6575 1 871 . 1 1 90 90 LYS CE C 13 42.095 . . 1 . . . . 90 LYS CE . 6575 1 872 . 1 1 90 90 LYS N N 15 125.769 . . 1 . . . . 90 LYS N . 6575 1 873 . 1 1 91 91 LEU H H 1 8.449 . . 1 . . . . 91 LEU HN . 6575 1 874 . 1 1 91 91 LEU HA H 1 4.637 . . 1 . . . . 91 LEU HA . 6575 1 875 . 1 1 91 91 LEU HB2 H 1 1.368 . . 2 . . . . 91 LEU HB1 . 6575 1 876 . 1 1 91 91 LEU HB3 H 1 1.537 . . 2 . . . . 91 LEU HB2 . 6575 1 877 . 1 1 91 91 LEU HG H 1 1.639 . . 1 . . . . 91 LEU HG . 6575 1 878 . 1 1 91 91 LEU HD11 H 1 0.766 . . 2 . . . . 91 LEU HD11 . 6575 1 879 . 1 1 91 91 LEU HD12 H 1 0.766 . . 2 . . . . 91 LEU HD11 . 6575 1 880 . 1 1 91 91 LEU HD13 H 1 0.766 . . 2 . . . . 91 LEU HD11 . 6575 1 881 . 1 1 91 91 LEU HD21 H 1 0.836 . . 2 . . . . 91 LEU HD21 . 6575 1 882 . 1 1 91 91 LEU HD22 H 1 0.836 . . 2 . . . . 91 LEU HD21 . 6575 1 883 . 1 1 91 91 LEU HD23 H 1 0.836 . . 2 . . . . 91 LEU HD21 . 6575 1 884 . 1 1 91 91 LEU C C 13 172.212 . . 1 . . . . 91 LEU C . 6575 1 885 . 1 1 91 91 LEU CA C 13 53.897 . . 1 . . . . 91 LEU CA . 6575 1 886 . 1 1 91 91 LEU CB C 13 43.476 . . 1 . . . . 91 LEU CB . 6575 1 887 . 1 1 91 91 LEU CG C 13 27.271 . . 1 . . . . 91 LEU CG . 6575 1 888 . 1 1 91 91 LEU CD1 C 13 25.586 . . 1 . . . . 91 LEU CD1 . 6575 1 889 . 1 1 91 91 LEU CD2 C 13 22.944 . . 1 . . . . 91 LEU CD2 . 6575 1 890 . 1 1 91 91 LEU N N 15 121.438 . . 1 . . . . 91 LEU N . 6575 1 891 . 1 1 92 92 TYR H H 1 7.966 . . 1 . . . . 92 TYR HN . 6575 1 892 . 1 1 92 92 TYR HA H 1 4.492 . . 1 . . . . 92 TYR HA . 6575 1 893 . 1 1 92 92 TYR HB2 H 1 2.209 . . 2 . . . . 92 TYR HB1 . 6575 1 894 . 1 1 92 92 TYR HB3 H 1 2.950 . . 2 . . . . 92 TYR HB2 . 6575 1 895 . 1 1 92 92 TYR C C 13 173.216 . . 1 . . . . 92 TYR C . 6575 1 896 . 1 1 92 92 TYR CA C 13 56.370 . . 1 . . . . 92 TYR CA . 6575 1 897 . 1 1 92 92 TYR CB C 13 41.698 . . 1 . . . . 92 TYR CB . 6575 1 898 . 1 1 92 92 TYR N N 15 119.120 . . 1 . . . . 92 TYR N . 6575 1 899 . 1 1 93 93 LEU H H 1 7.968 . . 1 . . . . 93 LEU HN . 6575 1 900 . 1 1 93 93 LEU HA H 1 3.860 . . 1 . . . . 93 LEU HA . 6575 1 901 . 1 1 93 93 LEU HB2 H 1 0.942 . . 2 . . . . 93 LEU HB1 . 6575 1 902 . 1 1 93 93 LEU HB3 H 1 0.022 . . 2 . . . . 93 LEU HB2 . 6575 1 903 . 1 1 93 93 LEU HG H 1 1.029 . . 1 . . . . 93 LEU HG . 6575 1 904 . 1 1 93 93 LEU HD11 H 1 -0.110 . . 2 . . . . 93 LEU HD11 . 6575 1 905 . 1 1 93 93 LEU HD12 H 1 -0.110 . . 2 . . . . 93 LEU HD11 . 6575 1 906 . 1 1 93 93 LEU HD13 H 1 -0.110 . . 2 . . . . 93 LEU HD11 . 6575 1 907 . 1 1 93 93 LEU HD21 H 1 0.013 . . 2 . . . . 93 LEU HD21 . 6575 1 908 . 1 1 93 93 LEU HD22 H 1 0.013 . . 2 . . . . 93 LEU HD21 . 6575 1 909 . 1 1 93 93 LEU HD23 H 1 0.013 . . 2 . . . . 93 LEU HD21 . 6575 1 910 . 1 1 93 93 LEU C C 13 174.020 . . 1 . . . . 93 LEU C . 6575 1 911 . 1 1 93 93 LEU CA C 13 54.682 . . 1 . . . . 93 LEU CA . 6575 1 912 . 1 1 93 93 LEU CB C 13 38.545 . . 1 . . . . 93 LEU CB . 6575 1 913 . 1 1 93 93 LEU CG C 13 25.930 . . 1 . . . . 93 LEU CG . 6575 1 914 . 1 1 93 93 LEU CD1 C 13 24.936 . . 1 . . . . 93 LEU CD1 . 6575 1 915 . 1 1 93 93 LEU CD2 C 13 21.680 . . 1 . . . . 93 LEU CD2 . 6575 1 916 . 1 1 93 93 LEU N N 15 117.470 . . 1 . . . . 93 LEU N . 6575 1 917 . 1 1 94 94 VAL H H 1 8.446 . . 1 . . . . 94 VAL HN . 6575 1 918 . 1 1 94 94 VAL HA H 1 3.946 . . 1 . . . . 94 VAL HA . 6575 1 919 . 1 1 94 94 VAL HB H 1 2.120 . . 1 . . . . 94 VAL HB . 6575 1 920 . 1 1 94 94 VAL HG11 H 1 0.898 . . 2 . . . . 94 VAL HG11 . 6575 1 921 . 1 1 94 94 VAL HG12 H 1 0.898 . . 2 . . . . 94 VAL HG11 . 6575 1 922 . 1 1 94 94 VAL HG13 H 1 0.898 . . 2 . . . . 94 VAL HG11 . 6575 1 923 . 1 1 94 94 VAL HG21 H 1 0.820 . . 2 . . . . 94 VAL HG21 . 6575 1 924 . 1 1 94 94 VAL HG22 H 1 0.820 . . 2 . . . . 94 VAL HG21 . 6575 1 925 . 1 1 94 94 VAL HG23 H 1 0.820 . . 2 . . . . 94 VAL HG21 . 6575 1 926 . 1 1 94 94 VAL C C 13 173.999 . . 1 . . . . 94 VAL C . 6575 1 927 . 1 1 94 94 VAL CA C 13 65.527 . . 1 . . . . 94 VAL CA . 6575 1 928 . 1 1 94 94 VAL CB C 13 32.441 . . 1 . . . . 94 VAL CB . 6575 1 929 . 1 1 94 94 VAL CG1 C 13 21.880 . . 1 . . . . 94 VAL CG1 . 6575 1 930 . 1 1 94 94 VAL CG2 C 13 21.880 . . 1 . . . . 94 VAL CG2 . 6575 1 931 . 1 1 94 94 VAL N N 15 122.368 . . 1 . . . . 94 VAL N . 6575 1 932 . 1 1 95 95 ARG H H 1 7.547 . . 1 . . . . 95 ARG HN . 6575 1 933 . 1 1 95 95 ARG HA H 1 4.518 . . 1 . . . . 95 ARG HA . 6575 1 934 . 1 1 95 95 ARG HB2 H 1 1.583 . . 2 . . . . 95 ARG HB1 . 6575 1 935 . 1 1 95 95 ARG HB3 H 1 2.033 . . 2 . . . . 95 ARG HB2 . 6575 1 936 . 1 1 95 95 ARG HG2 H 1 1.534 . . 2 . . . . 95 ARG HG1 . 6575 1 937 . 1 1 95 95 ARG HG3 H 1 1.666 . . 2 . . . . 95 ARG HG2 . 6575 1 938 . 1 1 95 95 ARG HD2 H 1 3.100 . . 2 . . . . 95 ARG HD1 . 6575 1 939 . 1 1 95 95 ARG HD3 H 1 2.890 . . 2 . . . . 95 ARG HD2 . 6575 1 940 . 1 1 95 95 ARG C C 13 170.068 . . 1 . . . . 95 ARG C . 6575 1 941 . 1 1 95 95 ARG CA C 13 55.109 . . 1 . . . . 95 ARG CA . 6575 1 942 . 1 1 95 95 ARG CB C 13 33.846 . . 1 . . . . 95 ARG CB . 6575 1 943 . 1 1 95 95 ARG CG C 13 25.856 . . 1 . . . . 95 ARG CG . 6575 1 944 . 1 1 95 95 ARG CD C 13 43.796 . . 1 . . . . 95 ARG CD . 6575 1 945 . 1 1 95 95 ARG N N 15 117.912 . . 1 . . . . 95 ARG N . 6575 1 946 . 1 1 96 96 ALA H H 1 8.417 . . 1 . . . . 96 ALA HN . 6575 1 947 . 1 1 96 96 ALA HA H 1 3.358 . . 1 . . . . 96 ALA HA . 6575 1 948 . 1 1 96 96 ALA HB1 H 1 1.000 . . 1 . . . . 96 ALA HB1 . 6575 1 949 . 1 1 96 96 ALA HB2 H 1 1.000 . . 1 . . . . 96 ALA HB1 . 6575 1 950 . 1 1 96 96 ALA HB3 H 1 1.000 . . 1 . . . . 96 ALA HB1 . 6575 1 951 . 1 1 96 96 ALA C C 13 174.966 . . 1 . . . . 96 ALA C . 6575 1 952 . 1 1 96 96 ALA CA C 13 51.169 . . 1 . . . . 96 ALA CA . 6575 1 953 . 1 1 96 96 ALA CB C 13 18.636 . . 1 . . . . 96 ALA CB . 6575 1 954 . 1 1 96 96 ALA N N 15 126.443 . . 1 . . . . 96 ALA N . 6575 1 955 . 1 1 97 97 LEU H H 1 8.330 . . 1 . . . . 97 LEU HN . 6575 1 956 . 1 1 97 97 LEU HA H 1 3.796 . . 1 . . . . 97 LEU HA . 6575 1 957 . 1 1 97 97 LEU HB2 H 1 0.774 . . 2 . . . . 97 LEU HB1 . 6575 1 958 . 1 1 97 97 LEU HB3 H 1 1.400 . . 2 . . . . 97 LEU HB2 . 6575 1 959 . 1 1 97 97 LEU HG H 1 1.563 . . 1 . . . . 97 LEU HG . 6575 1 960 . 1 1 97 97 LEU HD11 H 1 0.341 . . 2 . . . . 97 LEU HD11 . 6575 1 961 . 1 1 97 97 LEU HD12 H 1 0.341 . . 2 . . . . 97 LEU HD11 . 6575 1 962 . 1 1 97 97 LEU HD13 H 1 0.341 . . 2 . . . . 97 LEU HD11 . 6575 1 963 . 1 1 97 97 LEU HD21 H 1 0.767 . . 2 . . . . 97 LEU HD21 . 6575 1 964 . 1 1 97 97 LEU HD22 H 1 0.767 . . 2 . . . . 97 LEU HD21 . 6575 1 965 . 1 1 97 97 LEU HD23 H 1 0.767 . . 2 . . . . 97 LEU HD21 . 6575 1 966 . 1 1 97 97 LEU C C 13 172.602 . . 1 . . . . 97 LEU C . 6575 1 967 . 1 1 97 97 LEU CA C 13 56.124 . . 1 . . . . 97 LEU CA . 6575 1 968 . 1 1 97 97 LEU CB C 13 42.539 . . 1 . . . . 97 LEU CB . 6575 1 969 . 1 1 97 97 LEU CG C 13 26.615 . . 1 . . . . 97 LEU CG . 6575 1 970 . 1 1 97 97 LEU CD1 C 13 26.990 . . 1 . . . . 97 LEU CD1 . 6575 1 971 . 1 1 97 97 LEU CD2 C 13 24.428 . . 1 . . . . 97 LEU CD2 . 6575 1 972 . 1 1 97 97 LEU N N 15 123.500 . . 1 . . . . 97 LEU N . 6575 1 973 . 1 1 98 98 GLN H H 1 8.465 . . 1 . . . . 98 GLN HN . 6575 1 974 . 1 1 98 98 GLN HA H 1 4.049 . . 1 . . . . 98 GLN HA . 6575 1 975 . 1 1 98 98 GLN HB2 H 1 2.206 . . 2 . . . . 98 GLN HB1 . 6575 1 976 . 1 1 98 98 GLN HB3 H 1 1.822 . . 2 . . . . 98 GLN HB2 . 6575 1 977 . 1 1 98 98 GLN CA C 13 57.280 . . 1 . . . . 98 GLN CA . 6575 1 978 . 1 1 98 98 GLN CB C 13 30.566 . . 1 . . . . 98 GLN CB . 6575 1 979 . 1 1 98 98 GLN N N 15 134.930 . . 1 . . . . 98 GLN N . 6575 1 stop_ save_