data_19967 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19967 _Entry.Title ; Solution NMR assignment of C-terminal RRM domain of La protein from D. discoideum. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-12 _Entry.Accession_date 2014-05-12 _Entry.Last_release_date 2014-05-12 _Entry.Original_release_date 2014-05-12 _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 'CRRM domain is consisted of 105 aa: K214-K318 (ID uniprot: Q54TG6)' 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 Georgios Bouras . . . . 19967 2 Aikaterini Argyriou . I. . . 19967 3 Garyfallia Makrynitsa . I. . . 19967 4 Maria Apostolidi . . . . 19967 5 Christos Chasapis . T. . . 19967 6 Constantinos Stathopoulos . . . . 19967 7 Detlef Bentrop . . . . 19967 8 Georgios Spyroulias . A. . . 19967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 19967 '15N chemical shifts' 108 19967 '1H chemical shifts' 743 19967 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 . . 2018-02-27 . original BMRB . 19967 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18620 'NMR Chemical Shift Assignments of N terminal RRM domain of La protein' 19967 BMRB 5235 ; Resonance assignment and secondary structure determination of a C-terminal fragment of the Lupus Autoantigen (La) protein containing a putative RNA recognition motif (RRM) ; 19967 PDB 1OWX 'Solution structure of the C-terminal RRM of human La (La225-334)' 19967 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19967 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-014-9578-7 _Citation.PubMed_ID 25281001 _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignment, along with the secondary structure prediction of RRM2 domain of La protein from a lower eukaryote exhibiting identical structural organization with its human homolog ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 219 _Citation.Page_last 222 _Citation.Year 2015 _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 Aikaterini Argyriou A. I. . . 19967 1 2 Christos Chasapis C. T. . . 19967 1 3 Maria Apostolidi M. . . . 19967 1 4 Parthena Konstantinidou P. . . . 19967 1 5 Constantinos Stathopoulos C. . . . 19967 1 6 Detlef Bentrop D. . . . 19967 1 7 Georgios Spyroulias G. A. . . 19967 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'La protein' 19967 1 'RNA binding protein' 19967 1 'RNA polymerase III' 19967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19967 _Assembly.ID 1 _Assembly.Name 'CRRM domain' _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 12027.6 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CRRM domain' 1 $CRRM A . yes native no no . . . 19967 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 PDB 1OWX . . 'solution NMR' . . 'Solution structure of the C-terminal RRM of human La (La225-334)' 19967 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA processing' 19967 1 'interaction with the 5 - untrasnlated region (UTR) of some cellular mRNAs' 19967 1 ; recognition of the 5 -ppp end of nascent RNA with a mechanism modulated by phosphorylation ; 19967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRRM _Entity.Sf_category entity _Entity.Sf_framecode CRRM _Entity.Entry_ID 19967 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CRRM _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 ; KDVKKEVEEEEVMIPGVILC FKGVGKGLHRGDIKEIFSQY GEVQFVGYNSDEENGSVRYK TAESCKRAIESLTETKKEIG GQIPTYNLLEGEEEKKEWEK IIERK ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal RRM domain of La protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12027.6 _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 Q54TG6 . 'Lupus La protein' . . . . . . . . . . . . . . 19967 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA processing' 19967 1 'interaction with the 5 - untrasnlated region (UTR) of some cellular mRNAs' 19967 1 'recognition of the 5 -ppp end of nascent RNA' 19967 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 1 LYS . 19967 1 2 2 ASP . 19967 1 3 3 VAL . 19967 1 4 4 LYS . 19967 1 5 5 LYS . 19967 1 6 6 GLU . 19967 1 7 7 VAL . 19967 1 8 8 GLU . 19967 1 9 9 GLU . 19967 1 10 10 GLU . 19967 1 11 11 GLU . 19967 1 12 12 VAL . 19967 1 13 13 MET . 19967 1 14 14 ILE . 19967 1 15 15 PRO . 19967 1 16 16 GLY . 19967 1 17 17 VAL . 19967 1 18 18 ILE . 19967 1 19 19 LEU . 19967 1 20 20 CYS . 19967 1 21 21 PHE . 19967 1 22 22 LYS . 19967 1 23 23 GLY . 19967 1 24 24 VAL . 19967 1 25 25 GLY . 19967 1 26 26 LYS . 19967 1 27 27 GLY . 19967 1 28 28 LEU . 19967 1 29 29 HIS . 19967 1 30 30 ARG . 19967 1 31 31 GLY . 19967 1 32 32 ASP . 19967 1 33 33 ILE . 19967 1 34 34 LYS . 19967 1 35 35 GLU . 19967 1 36 36 ILE . 19967 1 37 37 PHE . 19967 1 38 38 SER . 19967 1 39 39 GLN . 19967 1 40 40 TYR . 19967 1 41 41 GLY . 19967 1 42 42 GLU . 19967 1 43 43 VAL . 19967 1 44 44 GLN . 19967 1 45 45 PHE . 19967 1 46 46 VAL . 19967 1 47 47 GLY . 19967 1 48 48 TYR . 19967 1 49 49 ASN . 19967 1 50 50 SER . 19967 1 51 51 ASP . 19967 1 52 52 GLU . 19967 1 53 53 GLU . 19967 1 54 54 ASN . 19967 1 55 55 GLY . 19967 1 56 56 SER . 19967 1 57 57 VAL . 19967 1 58 58 ARG . 19967 1 59 59 TYR . 19967 1 60 60 LYS . 19967 1 61 61 THR . 19967 1 62 62 ALA . 19967 1 63 63 GLU . 19967 1 64 64 SER . 19967 1 65 65 CYS . 19967 1 66 66 LYS . 19967 1 67 67 ARG . 19967 1 68 68 ALA . 19967 1 69 69 ILE . 19967 1 70 70 GLU . 19967 1 71 71 SER . 19967 1 72 72 LEU . 19967 1 73 73 THR . 19967 1 74 74 GLU . 19967 1 75 75 THR . 19967 1 76 76 LYS . 19967 1 77 77 LYS . 19967 1 78 78 GLU . 19967 1 79 79 ILE . 19967 1 80 80 GLY . 19967 1 81 81 GLY . 19967 1 82 82 GLN . 19967 1 83 83 ILE . 19967 1 84 84 PRO . 19967 1 85 85 THR . 19967 1 86 86 TYR . 19967 1 87 87 ASN . 19967 1 88 88 LEU . 19967 1 89 89 LEU . 19967 1 90 90 GLU . 19967 1 91 91 GLY . 19967 1 92 92 GLU . 19967 1 93 93 GLU . 19967 1 94 94 GLU . 19967 1 95 95 LYS . 19967 1 96 96 LYS . 19967 1 97 97 GLU . 19967 1 98 98 TRP . 19967 1 99 99 GLU . 19967 1 100 100 LYS . 19967 1 101 101 ILE . 19967 1 102 102 ILE . 19967 1 103 103 GLU . 19967 1 104 104 ARG . 19967 1 105 105 LYS . 19967 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 . LYS 1 1 19967 1 . ASP 2 2 19967 1 . VAL 3 3 19967 1 . LYS 4 4 19967 1 . LYS 5 5 19967 1 . GLU 6 6 19967 1 . VAL 7 7 19967 1 . GLU 8 8 19967 1 . GLU 9 9 19967 1 . GLU 10 10 19967 1 . GLU 11 11 19967 1 . VAL 12 12 19967 1 . MET 13 13 19967 1 . ILE 14 14 19967 1 . PRO 15 15 19967 1 . GLY 16 16 19967 1 . VAL 17 17 19967 1 . ILE 18 18 19967 1 . LEU 19 19 19967 1 . CYS 20 20 19967 1 . PHE 21 21 19967 1 . LYS 22 22 19967 1 . GLY 23 23 19967 1 . VAL 24 24 19967 1 . GLY 25 25 19967 1 . LYS 26 26 19967 1 . GLY 27 27 19967 1 . LEU 28 28 19967 1 . HIS 29 29 19967 1 . ARG 30 30 19967 1 . GLY 31 31 19967 1 . ASP 32 32 19967 1 . ILE 33 33 19967 1 . LYS 34 34 19967 1 . GLU 35 35 19967 1 . ILE 36 36 19967 1 . PHE 37 37 19967 1 . SER 38 38 19967 1 . GLN 39 39 19967 1 . TYR 40 40 19967 1 . GLY 41 41 19967 1 . GLU 42 42 19967 1 . VAL 43 43 19967 1 . GLN 44 44 19967 1 . PHE 45 45 19967 1 . VAL 46 46 19967 1 . GLY 47 47 19967 1 . TYR 48 48 19967 1 . ASN 49 49 19967 1 . SER 50 50 19967 1 . ASP 51 51 19967 1 . GLU 52 52 19967 1 . GLU 53 53 19967 1 . ASN 54 54 19967 1 . GLY 55 55 19967 1 . SER 56 56 19967 1 . VAL 57 57 19967 1 . ARG 58 58 19967 1 . TYR 59 59 19967 1 . LYS 60 60 19967 1 . THR 61 61 19967 1 . ALA 62 62 19967 1 . GLU 63 63 19967 1 . SER 64 64 19967 1 . CYS 65 65 19967 1 . LYS 66 66 19967 1 . ARG 67 67 19967 1 . ALA 68 68 19967 1 . ILE 69 69 19967 1 . GLU 70 70 19967 1 . SER 71 71 19967 1 . LEU 72 72 19967 1 . THR 73 73 19967 1 . GLU 74 74 19967 1 . THR 75 75 19967 1 . LYS 76 76 19967 1 . LYS 77 77 19967 1 . GLU 78 78 19967 1 . ILE 79 79 19967 1 . GLY 80 80 19967 1 . GLY 81 81 19967 1 . GLN 82 82 19967 1 . ILE 83 83 19967 1 . PRO 84 84 19967 1 . THR 85 85 19967 1 . TYR 86 86 19967 1 . ASN 87 87 19967 1 . LEU 88 88 19967 1 . LEU 89 89 19967 1 . GLU 90 90 19967 1 . GLY 91 91 19967 1 . GLU 92 92 19967 1 . GLU 93 93 19967 1 . GLU 94 94 19967 1 . LYS 95 95 19967 1 . LYS 96 96 19967 1 . GLU 97 97 19967 1 . TRP 98 98 19967 1 . GLU 99 99 19967 1 . LYS 100 100 19967 1 . ILE 101 101 19967 1 . ILE 102 102 19967 1 . GLU 103 103 19967 1 . ARG 104 104 19967 1 . LYS 105 105 19967 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 19967 _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 $CRRM . 44689 organism . 'Dictyostelium discoideum' 'cellular slime mold' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . DDB_0204655,DDB_G0281763 . 19967 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 19967 _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 $CRRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21(DE3)' . . . . . pET . . . 19967 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19967 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CRRM '[U-99% 15N]' . . 1 $CRRM . . 0.8 . . mM . . . . 19967 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19967 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19967 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19967 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CRRM '[U-99% 13C; U-99% 15N]' . . 1 $CRRM . . 0.8 . . mM . . . . 19967 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19967 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19967 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19967 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CRRM 'natural abundance' . . 1 $CRRM . . 0.8 . . mM . . . . 19967 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19967 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19967 3 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 19967 _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' 50 . mM 19967 1 pH 7 . pH 19967 1 pressure 1 . atm 19967 1 temperature 298 . K 19967 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19967 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19967 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19967 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 'equipped with Cryoprobe' . . 19967 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 19967 _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 . . . . . . . . . . . . . . . . 19967 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19967 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 19967 _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 . . . . . 19967 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19967 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19967 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 19967 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 19967 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19967 1 2 '3D HNCACB' . . . 19967 1 3 '3D HNCA' . . . 19967 1 4 '3D CBCA(CO)NH' . . . 19967 1 7 '3D HCCH-TOCSY' . . . 19967 1 8 '3D 1H-15N NOESY' . . . 19967 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 $CARA . . 19967 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 1 1 LYS CA C 13 56.400 0.3 . 1 . . . . . 1 LYS CA . 19967 1 2 . 1 1 1 1 LYS CB C 13 33.134 0.3 . 1 . . . . . 1 LYS CB . 19967 1 3 . 1 1 2 2 ASP H H 1 8.503 0.020 . 1 . . . . . 2 ASP H . 19967 1 4 . 1 1 2 2 ASP HA H 1 4.609 0.020 . 1 . . . . . 2 ASP HA . 19967 1 5 . 1 1 2 2 ASP HB2 H 1 2.711 0.020 . 2 . . . . . 2 ASP HB2 . 19967 1 6 . 1 1 2 2 ASP HB3 H 1 2.573 0.020 . 2 . . . . . 2 ASP HB3 . 19967 1 7 . 1 1 2 2 ASP C C 13 176.212 0.3 . 1 . . . . . 2 ASP C . 19967 1 8 . 1 1 2 2 ASP CA C 13 54.175 0.3 . 1 . . . . . 2 ASP CA . 19967 1 9 . 1 1 2 2 ASP CB C 13 41.150 0.3 . 1 . . . . . 2 ASP CB . 19967 1 10 . 1 1 2 2 ASP N N 15 122.294 0.3 . 1 . . . . . 2 ASP N . 19967 1 11 . 1 1 3 3 VAL H H 1 8.113 0.020 . 1 . . . . . 3 VAL H . 19967 1 12 . 1 1 3 3 VAL HA H 1 4.112 0.020 . 1 . . . . . 3 VAL HA . 19967 1 13 . 1 1 3 3 VAL HB H 1 2.069 0.020 . 1 . . . . . 3 VAL HB . 19967 1 14 . 1 1 3 3 VAL HG11 H 1 0.933 0.020 . 1 . . . . . 3 VAL HG1 . 19967 1 15 . 1 1 3 3 VAL HG12 H 1 0.933 0.020 . 1 . . . . . 3 VAL HG1 . 19967 1 16 . 1 1 3 3 VAL HG13 H 1 0.933 0.020 . 1 . . . . . 3 VAL HG1 . 19967 1 17 . 1 1 3 3 VAL HG21 H 1 0.933 0.020 . 1 . . . . . 3 VAL HG2 . 19967 1 18 . 1 1 3 3 VAL HG22 H 1 0.933 0.020 . 1 . . . . . 3 VAL HG2 . 19967 1 19 . 1 1 3 3 VAL HG23 H 1 0.933 0.020 . 1 . . . . . 3 VAL HG2 . 19967 1 20 . 1 1 3 3 VAL C C 13 176.073 0.3 . 1 . . . . . 3 VAL C . 19967 1 21 . 1 1 3 3 VAL CA C 13 62.194 0.3 . 1 . . . . . 3 VAL CA . 19967 1 22 . 1 1 3 3 VAL CB C 13 32.729 0.3 . 1 . . . . . 3 VAL CB . 19967 1 23 . 1 1 3 3 VAL CG1 C 13 21.183 0.3 . 1 . . . . . 3 VAL CG1 . 19967 1 24 . 1 1 3 3 VAL CG2 C 13 20.399 0.3 . 1 . . . . . 3 VAL CG2 . 19967 1 25 . 1 1 3 3 VAL N N 15 120.702 0.3 . 1 . . . . . 3 VAL N . 19967 1 26 . 1 1 4 4 LYS H H 1 8.396 0.020 . 1 . . . . . 4 LYS H . 19967 1 27 . 1 1 4 4 LYS HA H 1 4.301 0.020 . 1 . . . . . 4 LYS HA . 19967 1 28 . 1 1 4 4 LYS HB2 H 1 1.818 0.020 . 2 . . . . . 4 LYS HB2 . 19967 1 29 . 1 1 4 4 LYS HB3 H 1 1.762 0.020 . 2 . . . . . 4 LYS HB3 . 19967 1 30 . 1 1 4 4 LYS HG2 H 1 1.442 0.020 . 1 . . . . . 4 LYS HG2 . 19967 1 31 . 1 1 4 4 LYS HG3 H 1 1.442 0.020 . 1 . . . . . 4 LYS HG3 . 19967 1 32 . 1 1 4 4 LYS HD2 H 1 1.675 0.020 . 2 . . . . . 4 LYS HD2 . 19967 1 33 . 1 1 4 4 LYS HD3 H 1 1.422 0.020 . 2 . . . . . 4 LYS HD3 . 19967 1 34 . 1 1 4 4 LYS HE2 H 1 2.995 0.020 . 1 . . . . . 4 LYS HE2 . 19967 1 35 . 1 1 4 4 LYS HE3 H 1 2.995 0.020 . 1 . . . . . 4 LYS HE3 . 19967 1 36 . 1 1 4 4 LYS C C 13 176.347 0.3 . 1 . . . . . 4 LYS C . 19967 1 37 . 1 1 4 4 LYS CA C 13 56.218 0.3 . 1 . . . . . 4 LYS CA . 19967 1 38 . 1 1 4 4 LYS CB C 13 32.708 0.3 . 1 . . . . . 4 LYS CB . 19967 1 39 . 1 1 4 4 LYS CG C 13 24.576 0.3 . 1 . . . . . 4 LYS CG . 19967 1 40 . 1 1 4 4 LYS CD C 13 28.897 0.3 . 1 . . . . . 4 LYS CD . 19967 1 41 . 1 1 4 4 LYS CE C 13 41.907 0.3 . 1 . . . . . 4 LYS CE . 19967 1 42 . 1 1 4 4 LYS N N 15 125.259 0.3 . 1 . . . . . 4 LYS N . 19967 1 43 . 1 1 5 5 LYS H H 1 8.331 0.020 . 1 . . . . . 5 LYS H . 19967 1 44 . 1 1 5 5 LYS HA H 1 4.308 0.020 . 1 . . . . . 5 LYS HA . 19967 1 45 . 1 1 5 5 LYS HB2 H 1 1.816 0.020 . 2 . . . . . 5 LYS HB2 . 19967 1 46 . 1 1 5 5 LYS HB3 H 1 1.755 0.020 . 2 . . . . . 5 LYS HB3 . 19967 1 47 . 1 1 5 5 LYS HG2 H 1 1.423 0.020 . 1 . . . . . 5 LYS HG2 . 19967 1 48 . 1 1 5 5 LYS HG3 H 1 1.423 0.020 . 1 . . . . . 5 LYS HG3 . 19967 1 49 . 1 1 5 5 LYS HD2 H 1 1.684 0.020 . 1 . . . . . 5 LYS HD2 . 19967 1 50 . 1 1 5 5 LYS HD3 H 1 1.684 0.020 . 1 . . . . . 5 LYS HD3 . 19967 1 51 . 1 1 5 5 LYS HE2 H 1 2.996 0.020 . 1 . . . . . 5 LYS HE2 . 19967 1 52 . 1 1 5 5 LYS HE3 H 1 2.996 0.020 . 1 . . . . . 5 LYS HE3 . 19967 1 53 . 1 1 5 5 LYS C C 13 176.390 0.3 . 1 . . . . . 5 LYS C . 19967 1 54 . 1 1 5 5 LYS CA C 13 56.414 0.3 . 1 . . . . . 5 LYS CA . 19967 1 55 . 1 1 5 5 LYS CB C 13 32.951 0.3 . 1 . . . . . 5 LYS CB . 19967 1 56 . 1 1 5 5 LYS CG C 13 24.739 0.3 . 1 . . . . . 5 LYS CG . 19967 1 57 . 1 1 5 5 LYS CD C 13 28.962 0.3 . 1 . . . . . 5 LYS CD . 19967 1 58 . 1 1 5 5 LYS CE C 13 42.098 0.3 . 1 . . . . . 5 LYS CE . 19967 1 59 . 1 1 5 5 LYS N N 15 123.377 0.3 . 1 . . . . . 5 LYS N . 19967 1 60 . 1 1 6 6 GLU H H 1 8.503 0.020 . 1 . . . . . 6 GLU H . 19967 1 61 . 1 1 6 6 GLU HA H 1 4.301 0.020 . 1 . . . . . 6 GLU HA . 19967 1 62 . 1 1 6 6 GLU HB2 H 1 2.049 0.020 . 2 . . . . . 6 GLU HB2 . 19967 1 63 . 1 1 6 6 GLU HB3 H 1 1.937 0.020 . 2 . . . . . 6 GLU HB3 . 19967 1 64 . 1 1 6 6 GLU HG2 H 1 2.272 0.020 . 2 . . . . . 6 GLU HG2 . 19967 1 65 . 1 1 6 6 GLU HG3 H 1 1.921 0.020 . 2 . . . . . 6 GLU HG3 . 19967 1 66 . 1 1 6 6 GLU C C 13 176.361 0.3 . 1 . . . . . 6 GLU C . 19967 1 67 . 1 1 6 6 GLU CA C 13 56.534 0.3 . 1 . . . . . 6 GLU CA . 19967 1 68 . 1 1 6 6 GLU CB C 13 30.244 0.3 . 1 . . . . . 6 GLU CB . 19967 1 69 . 1 1 6 6 GLU CG C 13 36.338 0.3 . 1 . . . . . 6 GLU CG . 19967 1 70 . 1 1 6 6 GLU N N 15 122.513 0.3 . 1 . . . . . 6 GLU N . 19967 1 71 . 1 1 7 7 VAL H H 1 8.118 0.020 . 1 . . . . . 7 VAL H . 19967 1 72 . 1 1 7 7 VAL HA H 1 4.099 0.020 . 1 . . . . . 7 VAL HA . 19967 1 73 . 1 1 7 7 VAL HB H 1 2.073 0.020 . 1 . . . . . 7 VAL HB . 19967 1 74 . 1 1 7 7 VAL HG11 H 1 0.938 0.020 . 1 . . . . . 7 VAL HG1 . 19967 1 75 . 1 1 7 7 VAL HG12 H 1 0.938 0.020 . 1 . . . . . 7 VAL HG1 . 19967 1 76 . 1 1 7 7 VAL HG13 H 1 0.938 0.020 . 1 . . . . . 7 VAL HG1 . 19967 1 77 . 1 1 7 7 VAL HG21 H 1 0.938 0.020 . 1 . . . . . 7 VAL HG2 . 19967 1 78 . 1 1 7 7 VAL HG22 H 1 0.938 0.020 . 1 . . . . . 7 VAL HG2 . 19967 1 79 . 1 1 7 7 VAL HG23 H 1 0.938 0.020 . 1 . . . . . 7 VAL HG2 . 19967 1 80 . 1 1 7 7 VAL C C 13 176.198 0.3 . 1 . . . . . 7 VAL C . 19967 1 81 . 1 1 7 7 VAL CA C 13 62.189 0.3 . 1 . . . . . 7 VAL CA . 19967 1 82 . 1 1 7 7 VAL CB C 13 32.664 0.3 . 1 . . . . . 7 VAL CB . 19967 1 83 . 1 1 7 7 VAL CG1 C 13 20.377 0.3 . 1 . . . . . 7 VAL CG1 . 19967 1 84 . 1 1 7 7 VAL CG2 C 13 21.158 0.3 . 1 . . . . . 7 VAL CG2 . 19967 1 85 . 1 1 7 7 VAL N N 15 120.178 0.3 . 1 . . . . . 7 VAL N . 19967 1 86 . 1 1 8 8 GLU H H 1 8.480 0.020 . 1 . . . . . 8 GLU H . 19967 1 87 . 1 1 8 8 GLU HA H 1 4.307 0.020 . 1 . . . . . 8 GLU HA . 19967 1 88 . 1 1 8 8 GLU HB2 H 1 2.049 0.020 . 2 . . . . . 8 GLU HB2 . 19967 1 89 . 1 1 8 8 GLU HB3 H 1 1.923 0.020 . 2 . . . . . 8 GLU HB3 . 19967 1 90 . 1 1 8 8 GLU HG2 H 1 2.268 0.020 . 1 . . . . . 8 GLU HG2 . 19967 1 91 . 1 1 8 8 GLU HG3 H 1 2.268 0.020 . 1 . . . . . 8 GLU HG3 . 19967 1 92 . 1 1 8 8 GLU C C 13 176.282 0.3 . 1 . . . . . 8 GLU C . 19967 1 93 . 1 1 8 8 GLU CA C 13 56.464 0.3 . 1 . . . . . 8 GLU CA . 19967 1 94 . 1 1 8 8 GLU CB C 13 30.234 0.3 . 1 . . . . . 8 GLU CB . 19967 1 95 . 1 1 8 8 GLU CG C 13 36.312 0.3 . 1 . . . . . 8 GLU CG . 19967 1 96 . 1 1 8 8 GLU N N 15 124.684 0.3 . 1 . . . . . 8 GLU N . 19967 1 97 . 1 1 9 9 GLU H H 1 8.438 0.020 . 1 . . . . . 9 GLU H . 19967 1 98 . 1 1 9 9 GLU HA H 1 4.304 0.020 . 1 . . . . . 9 GLU HA . 19967 1 99 . 1 1 9 9 GLU HB2 H 1 1.938 0.020 . 2 . . . . . 9 GLU HB2 . 19967 1 100 . 1 1 9 9 GLU HB3 H 1 2.050 0.020 . 2 . . . . . 9 GLU HB3 . 19967 1 101 . 1 1 9 9 GLU HG2 H 1 1.937 0.020 . 2 . . . . . 9 GLU HG2 . 19967 1 102 . 1 1 9 9 GLU HG3 H 1 2.043 0.020 . 2 . . . . . 9 GLU HG3 . 19967 1 103 . 1 1 9 9 GLU C C 13 176.287 0.3 . 1 . . . . . 9 GLU C . 19967 1 104 . 1 1 9 9 GLU CA C 13 56.461 0.3 . 1 . . . . . 9 GLU CA . 19967 1 105 . 1 1 9 9 GLU CB C 13 30.504 0.3 . 1 . . . . . 9 GLU CB . 19967 1 106 . 1 1 9 9 GLU CG C 13 36.305 0.3 . 1 . . . . . 9 GLU CG . 19967 1 107 . 1 1 9 9 GLU N N 15 122.148 0.3 . 1 . . . . . 9 GLU N . 19967 1 108 . 1 1 10 10 GLU H H 1 8.496 0.020 . 1 . . . . . 10 GLU H . 19967 1 109 . 1 1 10 10 GLU HA H 1 4.279 0.020 . 1 . . . . . 10 GLU HA . 19967 1 110 . 1 1 10 10 GLU HB2 H 1 2.056 0.020 . 2 . . . . . 10 GLU HB2 . 19967 1 111 . 1 1 10 10 GLU HB3 H 1 1.930 0.020 . 2 . . . . . 10 GLU HB3 . 19967 1 112 . 1 1 10 10 GLU HG2 H 1 2.261 0.020 . 1 . . . . . 10 GLU HG2 . 19967 1 113 . 1 1 10 10 GLU HG3 H 1 2.261 0.020 . 1 . . . . . 10 GLU HG3 . 19967 1 114 . 1 1 10 10 GLU C C 13 176.410 0.3 . 1 . . . . . 10 GLU C . 19967 1 115 . 1 1 10 10 GLU CA C 13 56.569 0.3 . 1 . . . . . 10 GLU CA . 19967 1 116 . 1 1 10 10 GLU CB C 13 30.211 0.3 . 1 . . . . . 10 GLU CB . 19967 1 117 . 1 1 10 10 GLU CG C 13 36.389 0.3 . 1 . . . . . 10 GLU CG . 19967 1 118 . 1 1 10 10 GLU N N 15 122.722 0.3 . 1 . . . . . 10 GLU N . 19967 1 119 . 1 1 11 11 GLU H H 1 8.106 0.020 . 1 . . . . . 11 GLU H . 19967 1 120 . 1 1 11 11 GLU HA H 1 4.297 0.020 . 1 . . . . . 11 GLU HA . 19967 1 121 . 1 1 11 11 GLU HB2 H 1 2.058 0.020 . 2 . . . . . 11 GLU HB2 . 19967 1 122 . 1 1 11 11 GLU HB3 H 1 1.942 0.020 . 2 . . . . . 11 GLU HB3 . 19967 1 123 . 1 1 11 11 GLU HG2 H 1 2.270 0.020 . 1 . . . . . 11 GLU HG2 . 19967 1 124 . 1 1 11 11 GLU HG3 H 1 2.270 0.020 . 1 . . . . . 11 GLU HG3 . 19967 1 125 . 1 1 11 11 GLU C C 13 175.203 0.3 . 1 . . . . . 11 GLU C . 19967 1 126 . 1 1 11 11 GLU CA C 13 56.417 0.3 . 1 . . . . . 11 GLU CA . 19967 1 127 . 1 1 11 11 GLU CB C 13 30.284 0.3 . 1 . . . . . 11 GLU CB . 19967 1 128 . 1 1 11 11 GLU CG C 13 36.333 0.3 . 1 . . . . . 11 GLU CG . 19967 1 129 . 1 1 11 11 GLU N N 15 119.074 0.3 . 1 . . . . . 11 GLU N . 19967 1 130 . 1 1 12 12 VAL H H 1 7.868 0.020 . 1 . . . . . 12 VAL H . 19967 1 131 . 1 1 12 12 VAL HA H 1 4.088 0.020 . 1 . . . . . 12 VAL HA . 19967 1 132 . 1 1 12 12 VAL HB H 1 1.935 0.020 . 1 . . . . . 12 VAL HB . 19967 1 133 . 1 1 12 12 VAL HG11 H 1 0.830 0.020 . 1 . . . . . 12 VAL HG1 . 19967 1 134 . 1 1 12 12 VAL HG12 H 1 0.830 0.020 . 1 . . . . . 12 VAL HG1 . 19967 1 135 . 1 1 12 12 VAL HG13 H 1 0.830 0.020 . 1 . . . . . 12 VAL HG1 . 19967 1 136 . 1 1 12 12 VAL HG21 H 1 0.830 0.020 . 1 . . . . . 12 VAL HG2 . 19967 1 137 . 1 1 12 12 VAL HG22 H 1 0.830 0.020 . 1 . . . . . 12 VAL HG2 . 19967 1 138 . 1 1 12 12 VAL HG23 H 1 0.830 0.020 . 1 . . . . . 12 VAL HG2 . 19967 1 139 . 1 1 12 12 VAL C C 13 174.396 0.3 . 1 . . . . . 12 VAL C . 19967 1 140 . 1 1 12 12 VAL CA C 13 60.797 0.3 . 1 . . . . . 12 VAL CA . 19967 1 141 . 1 1 12 12 VAL CB C 13 33.631 0.3 . 1 . . . . . 12 VAL CB . 19967 1 142 . 1 1 12 12 VAL CG1 C 13 19.828 0.3 . 1 . . . . . 12 VAL CG1 . 19967 1 143 . 1 1 12 12 VAL CG2 C 13 21.080 0.3 . 1 . . . . . 12 VAL CG2 . 19967 1 144 . 1 1 12 12 VAL N N 15 119.948 0.3 . 1 . . . . . 12 VAL N . 19967 1 145 . 1 1 13 13 MET H H 1 7.895 0.020 . 1 . . . . . 13 MET H . 19967 1 146 . 1 1 13 13 MET HA H 1 4.322 0.020 . 1 . . . . . 13 MET HA . 19967 1 147 . 1 1 13 13 MET HB2 H 1 1.811 0.020 . 1 . . . . . 13 MET HB2 . 19967 1 148 . 1 1 13 13 MET HB3 H 1 1.811 0.020 . 1 . . . . . 13 MET HB3 . 19967 1 149 . 1 1 13 13 MET HG2 H 1 1.686 0.020 . 1 . . . . . 13 MET HG2 . 19967 1 150 . 1 1 13 13 MET HG3 H 1 1.686 0.020 . 1 . . . . . 13 MET HG3 . 19967 1 151 . 1 1 13 13 MET C C 13 174.917 0.3 . 1 . . . . . 13 MET C . 19967 1 152 . 1 1 13 13 MET CA C 13 56.260 0.3 . 1 . . . . . 13 MET CA . 19967 1 153 . 1 1 13 13 MET CB C 13 32.204 0.3 . 1 . . . . . 13 MET CB . 19967 1 154 . 1 1 13 13 MET CG C 13 28.995 0.3 . 1 . . . . . 13 MET CG . 19967 1 155 . 1 1 13 13 MET N N 15 122.665 0.3 . 1 . . . . . 13 MET N . 19967 1 156 . 1 1 14 14 ILE HA H 1 4.390 0.020 . 1 . . . . . 14 ILE HA . 19967 1 157 . 1 1 14 14 ILE HB H 1 1.913 0.020 . 1 . . . . . 14 ILE HB . 19967 1 158 . 1 1 14 14 ILE HG12 H 1 1.122 0.020 . 2 . . . . . 14 ILE HG12 . 19967 1 159 . 1 1 14 14 ILE HG13 H 1 1.566 0.020 . 2 . . . . . 14 ILE HG13 . 19967 1 160 . 1 1 14 14 ILE HG21 H 1 0.968 0.020 . 1 . . . . . 14 ILE HG2 . 19967 1 161 . 1 1 14 14 ILE HG22 H 1 0.968 0.020 . 1 . . . . . 14 ILE HG2 . 19967 1 162 . 1 1 14 14 ILE HG23 H 1 0.968 0.020 . 1 . . . . . 14 ILE HG2 . 19967 1 163 . 1 1 14 14 ILE HD11 H 1 0.954 0.020 . 1 . . . . . 14 ILE HD1 . 19967 1 164 . 1 1 14 14 ILE HD12 H 1 0.954 0.020 . 1 . . . . . 14 ILE HD1 . 19967 1 165 . 1 1 14 14 ILE HD13 H 1 0.954 0.020 . 1 . . . . . 14 ILE HD1 . 19967 1 166 . 1 1 14 14 ILE CA C 13 57.508 0.3 . 1 . . . . . 14 ILE CA . 19967 1 167 . 1 1 14 14 ILE CB C 13 39.321 0.3 . 1 . . . . . 14 ILE CB . 19967 1 168 . 1 1 14 14 ILE CG1 C 13 26.249 0.3 . 1 . . . . . 14 ILE CG1 . 19967 1 169 . 1 1 14 14 ILE CG2 C 13 17.450 0.3 . 1 . . . . . 14 ILE CG2 . 19967 1 170 . 1 1 14 14 ILE CD1 C 13 12.993 0.3 . 1 . . . . . 14 ILE CD1 . 19967 1 171 . 1 1 15 15 PRO HA H 1 4.470 0.020 . 1 . . . . . 15 PRO HA . 19967 1 172 . 1 1 15 15 PRO HB2 H 1 2.331 0.020 . 2 . . . . . 15 PRO HB2 . 19967 1 173 . 1 1 15 15 PRO HB3 H 1 1.946 0.020 . 2 . . . . . 15 PRO HB3 . 19967 1 174 . 1 1 15 15 PRO HG2 H 1 2.062 0.020 . 2 . . . . . 15 PRO HG2 . 19967 1 175 . 1 1 15 15 PRO HG3 H 1 1.875 0.020 . 2 . . . . . 15 PRO HG3 . 19967 1 176 . 1 1 15 15 PRO HD2 H 1 3.698 0.020 . 1 . . . . . 15 PRO HD2 . 19967 1 177 . 1 1 15 15 PRO HD3 H 1 3.698 0.020 . 1 . . . . . 15 PRO HD3 . 19967 1 178 . 1 1 15 15 PRO C C 13 178.087 0.3 . 1 . . . . . 15 PRO C . 19967 1 179 . 1 1 15 15 PRO CA C 13 62.799 0.3 . 1 . . . . . 15 PRO CA . 19967 1 180 . 1 1 15 15 PRO CB C 13 32.438 0.3 . 1 . . . . . 15 PRO CB . 19967 1 181 . 1 1 15 15 PRO CG C 13 27.208 0.3 . 1 . . . . . 15 PRO CG . 19967 1 182 . 1 1 15 15 PRO CD C 13 51.048 0.3 . 1 . . . . . 15 PRO CD . 19967 1 183 . 1 1 16 16 GLY H H 1 9.416 0.020 . 1 . . . . . 16 GLY H . 19967 1 184 . 1 1 16 16 GLY HA2 H 1 4.184 0.020 . 2 . . . . . 16 GLY HA2 . 19967 1 185 . 1 1 16 16 GLY HA3 H 1 4.048 0.020 . 2 . . . . . 16 GLY HA3 . 19967 1 186 . 1 1 16 16 GLY CA C 13 47.276 0.3 . 1 . . . . . 16 GLY CA . 19967 1 187 . 1 1 16 16 GLY N N 15 110.033 0.3 . 1 . . . . . 16 GLY N . 19967 1 188 . 1 1 17 17 VAL H H 1 7.859 0.020 . 1 . . . . . 17 VAL H . 19967 1 189 . 1 1 17 17 VAL HA H 1 4.673 0.020 . 1 . . . . . 17 VAL HA . 19967 1 190 . 1 1 17 17 VAL HB H 1 2.873 0.020 . 1 . . . . . 17 VAL HB . 19967 1 191 . 1 1 17 17 VAL HG11 H 1 1.280 0.020 . 1 . . . . . 17 VAL HG1 . 19967 1 192 . 1 1 17 17 VAL HG12 H 1 1.280 0.020 . 1 . . . . . 17 VAL HG1 . 19967 1 193 . 1 1 17 17 VAL HG13 H 1 1.280 0.020 . 1 . . . . . 17 VAL HG1 . 19967 1 194 . 1 1 17 17 VAL HG21 H 1 0.652 0.020 . 1 . . . . . 17 VAL HG2 . 19967 1 195 . 1 1 17 17 VAL HG22 H 1 0.652 0.020 . 1 . . . . . 17 VAL HG2 . 19967 1 196 . 1 1 17 17 VAL HG23 H 1 0.652 0.020 . 1 . . . . . 17 VAL HG2 . 19967 1 197 . 1 1 17 17 VAL C C 13 175.482 0.3 . 1 . . . . . 17 VAL C . 19967 1 198 . 1 1 17 17 VAL CA C 13 61.614 0.3 . 1 . . . . . 17 VAL CA . 19967 1 199 . 1 1 17 17 VAL CB C 13 32.183 0.3 . 1 . . . . . 17 VAL CB . 19967 1 200 . 1 1 17 17 VAL CG1 C 13 19.332 0.3 . 1 . . . . . 17 VAL CG1 . 19967 1 201 . 1 1 17 17 VAL CG2 C 13 21.449 0.3 . 1 . . . . . 17 VAL CG2 . 19967 1 202 . 1 1 17 17 VAL N N 15 107.916 0.3 . 1 . . . . . 17 VAL N . 19967 1 203 . 1 1 18 18 ILE H H 1 8.866 0.020 . 1 . . . . . 18 ILE H . 19967 1 204 . 1 1 18 18 ILE HA H 1 5.013 0.020 . 1 . . . . . 18 ILE HA . 19967 1 205 . 1 1 18 18 ILE HB H 1 1.930 0.020 . 1 . . . . . 18 ILE HB . 19967 1 206 . 1 1 18 18 ILE HG12 H 1 0.647 0.020 . 1 . . . . . 18 ILE HG12 . 19967 1 207 . 1 1 18 18 ILE HG13 H 1 0.647 0.020 . 1 . . . . . 18 ILE HG13 . 19967 1 208 . 1 1 18 18 ILE HG21 H 1 0.785 0.020 . 1 . . . . . 18 ILE HG2 . 19967 1 209 . 1 1 18 18 ILE HG22 H 1 0.785 0.020 . 1 . . . . . 18 ILE HG2 . 19967 1 210 . 1 1 18 18 ILE HG23 H 1 0.785 0.020 . 1 . . . . . 18 ILE HG2 . 19967 1 211 . 1 1 18 18 ILE HD11 H 1 0.640 0.020 . 1 . . . . . 18 ILE HD1 . 19967 1 212 . 1 1 18 18 ILE HD12 H 1 0.640 0.020 . 1 . . . . . 18 ILE HD1 . 19967 1 213 . 1 1 18 18 ILE HD13 H 1 0.640 0.020 . 1 . . . . . 18 ILE HD1 . 19967 1 214 . 1 1 18 18 ILE C C 13 174.160 0.3 . 1 . . . . . 18 ILE C . 19967 1 215 . 1 1 18 18 ILE CA C 13 61.459 0.3 . 1 . . . . . 18 ILE CA . 19967 1 216 . 1 1 18 18 ILE CB C 13 38.501 0.3 . 1 . . . . . 18 ILE CB . 19967 1 217 . 1 1 18 18 ILE CG1 C 13 27.828 0.3 . 1 . . . . . 18 ILE CG1 . 19967 1 218 . 1 1 18 18 ILE CG2 C 13 18.131 0.3 . 1 . . . . . 18 ILE CG2 . 19967 1 219 . 1 1 18 18 ILE CD1 C 13 14.085 0.3 . 1 . . . . . 18 ILE CD1 . 19967 1 220 . 1 1 18 18 ILE N N 15 121.908 0.3 . 1 . . . . . 18 ILE N . 19967 1 221 . 1 1 19 19 LEU H H 1 9.054 0.020 . 1 . . . . . 19 LEU H . 19967 1 222 . 1 1 19 19 LEU HA H 1 4.995 0.020 . 1 . . . . . 19 LEU HA . 19967 1 223 . 1 1 19 19 LEU HB2 H 1 1.951 0.020 . 2 . . . . . 19 LEU HB2 . 19967 1 224 . 1 1 19 19 LEU HB3 H 1 1.875 0.020 . 2 . . . . . 19 LEU HB3 . 19967 1 225 . 1 1 19 19 LEU HG H 1 1.810 0.020 . 1 . . . . . 19 LEU HG . 19967 1 226 . 1 1 19 19 LEU HD11 H 1 1.091 0.020 . 1 . . . . . 19 LEU HD1 . 19967 1 227 . 1 1 19 19 LEU HD12 H 1 1.091 0.020 . 1 . . . . . 19 LEU HD1 . 19967 1 228 . 1 1 19 19 LEU HD13 H 1 1.091 0.020 . 1 . . . . . 19 LEU HD1 . 19967 1 229 . 1 1 19 19 LEU HD21 H 1 1.034 0.020 . 1 . . . . . 19 LEU HD2 . 19967 1 230 . 1 1 19 19 LEU HD22 H 1 1.034 0.020 . 1 . . . . . 19 LEU HD2 . 19967 1 231 . 1 1 19 19 LEU HD23 H 1 1.034 0.020 . 1 . . . . . 19 LEU HD2 . 19967 1 232 . 1 1 19 19 LEU C C 13 175.428 0.3 . 1 . . . . . 19 LEU C . 19967 1 233 . 1 1 19 19 LEU CA C 13 53.439 0.3 . 1 . . . . . 19 LEU CA . 19967 1 234 . 1 1 19 19 LEU CB C 13 45.096 0.3 . 1 . . . . . 19 LEU CB . 19967 1 235 . 1 1 19 19 LEU CG C 13 27.283 0.3 . 1 . . . . . 19 LEU CG . 19967 1 236 . 1 1 19 19 LEU CD1 C 13 26.516 0.3 . 1 . . . . . 19 LEU CD1 . 19967 1 237 . 1 1 19 19 LEU CD2 C 13 26.172 0.3 . 1 . . . . . 19 LEU CD2 . 19967 1 238 . 1 1 19 19 LEU N N 15 129.001 0.3 . 1 . . . . . 19 LEU N . 19967 1 239 . 1 1 20 20 CYS H H 1 9.206 0.020 . 1 . . . . . 20 CYS H . 19967 1 240 . 1 1 20 20 CYS HA H 1 5.024 0.020 . 1 . . . . . 20 CYS HA . 19967 1 241 . 1 1 20 20 CYS HB2 H 1 1.830 0.020 . 2 . . . . . 20 CYS HB2 . 19967 1 242 . 1 1 20 20 CYS HB3 H 1 2.932 0.020 . 2 . . . . . 20 CYS HB3 . 19967 1 243 . 1 1 20 20 CYS C C 13 173.465 0.3 . 1 . . . . . 20 CYS C . 19967 1 244 . 1 1 20 20 CYS CA C 13 57.363 0.3 . 1 . . . . . 20 CYS CA . 19967 1 245 . 1 1 20 20 CYS CB C 13 29.393 0.3 . 1 . . . . . 20 CYS CB . 19967 1 246 . 1 1 20 20 CYS N N 15 122.473 0.3 . 1 . . . . . 20 CYS N . 19967 1 247 . 1 1 21 21 PHE H H 1 8.194 0.020 . 1 . . . . . 21 PHE H . 19967 1 248 . 1 1 21 21 PHE HA H 1 5.807 0.020 . 1 . . . . . 21 PHE HA . 19967 1 249 . 1 1 21 21 PHE HB2 H 1 2.917 0.020 . 2 . . . . . 21 PHE HB2 . 19967 1 250 . 1 1 21 21 PHE HB3 H 1 2.778 0.020 . 2 . . . . . 21 PHE HB3 . 19967 1 251 . 1 1 21 21 PHE HD1 H 1 7.005 0.020 . 3 . . . . . 21 PHE HD1 . 19967 1 252 . 1 1 21 21 PHE HD2 H 1 6.710 0.020 . 3 . . . . . 21 PHE HD2 . 19967 1 253 . 1 1 21 21 PHE HE1 H 1 6.489 0.020 . 1 . . . . . 21 PHE HE1 . 19967 1 254 . 1 1 21 21 PHE HZ H 1 7.061 0.020 . 1 . . . . . 21 PHE HZ . 19967 1 255 . 1 1 21 21 PHE C C 13 173.915 0.3 . 1 . . . . . 21 PHE C . 19967 1 256 . 1 1 21 21 PHE CA C 13 53.889 0.3 . 1 . . . . . 21 PHE CA . 19967 1 257 . 1 1 21 21 PHE CB C 13 43.054 0.3 . 1 . . . . . 21 PHE CB . 19967 1 258 . 1 1 21 21 PHE CD1 C 13 131.602 0.3 . 1 . . . . . 21 PHE CD1 . 19967 1 259 . 1 1 21 21 PHE CD2 C 13 131.682 0.3 . 1 . . . . . 21 PHE CD2 . 19967 1 260 . 1 1 21 21 PHE CE1 C 13 116.361 0.3 . 1 . . . . . 21 PHE CE1 . 19967 1 261 . 1 1 21 21 PHE CZ C 13 131.573 0.3 . 1 . . . . . 21 PHE CZ . 19967 1 262 . 1 1 21 21 PHE N N 15 119.410 0.3 . 1 . . . . . 21 PHE N . 19967 1 263 . 1 1 22 22 LYS H H 1 8.739 0.020 . 1 . . . . . 22 LYS H . 19967 1 264 . 1 1 22 22 LYS HA H 1 5.195 0.020 . 1 . . . . . 22 LYS HA . 19967 1 265 . 1 1 22 22 LYS HB2 H 1 1.672 0.020 . 1 . . . . . 22 LYS HB2 . 19967 1 266 . 1 1 22 22 LYS HB3 H 1 1.672 0.020 . 1 . . . . . 22 LYS HB3 . 19967 1 267 . 1 1 22 22 LYS HG2 H 1 1.225 0.020 . 2 . . . . . 22 LYS HG2 . 19967 1 268 . 1 1 22 22 LYS HG3 H 1 1.280 0.020 . 2 . . . . . 22 LYS HG3 . 19967 1 269 . 1 1 22 22 LYS HD2 H 1 1.547 0.020 . 1 . . . . . 22 LYS HD2 . 19967 1 270 . 1 1 22 22 LYS HD3 H 1 1.547 0.020 . 1 . . . . . 22 LYS HD3 . 19967 1 271 . 1 1 22 22 LYS HE2 H 1 2.869 0.020 . 1 . . . . . 22 LYS HE2 . 19967 1 272 . 1 1 22 22 LYS HE3 H 1 2.869 0.020 . 1 . . . . . 22 LYS HE3 . 19967 1 273 . 1 1 22 22 LYS C C 13 175.756 0.3 . 1 . . . . . 22 LYS C . 19967 1 274 . 1 1 22 22 LYS CA C 13 55.425 0.3 . 1 . . . . . 22 LYS CA . 19967 1 275 . 1 1 22 22 LYS CB C 13 35.942 0.3 . 1 . . . . . 22 LYS CB . 19967 1 276 . 1 1 22 22 LYS CG C 13 24.739 0.3 . 1 . . . . . 22 LYS CG . 19967 1 277 . 1 1 22 22 LYS CD C 13 29.214 0.3 . 1 . . . . . 22 LYS CD . 19967 1 278 . 1 1 22 22 LYS CE C 13 42.160 0.3 . 1 . . . . . 22 LYS CE . 19967 1 279 . 1 1 22 22 LYS N N 15 120.108 0.3 . 1 . . . . . 22 LYS N . 19967 1 280 . 1 1 23 23 GLY H H 1 8.404 0.020 . 1 . . . . . 23 GLY H . 19967 1 281 . 1 1 23 23 GLY HA2 H 1 3.839 0.020 . 2 . . . . . 23 GLY HA2 . 19967 1 282 . 1 1 23 23 GLY HA3 H 1 4.370 0.020 . 2 . . . . . 23 GLY HA3 . 19967 1 283 . 1 1 23 23 GLY C C 13 175.960 0.3 . 1 . . . . . 23 GLY C . 19967 1 284 . 1 1 23 23 GLY CA C 13 46.286 0.3 . 1 . . . . . 23 GLY CA . 19967 1 285 . 1 1 23 23 GLY N N 15 111.608 0.3 . 1 . . . . . 23 GLY N . 19967 1 286 . 1 1 24 24 VAL H H 1 8.550 0.020 . 1 . . . . . 24 VAL H . 19967 1 287 . 1 1 24 24 VAL HA H 1 4.173 0.020 . 1 . . . . . 24 VAL HA . 19967 1 288 . 1 1 24 24 VAL HB H 1 2.020 0.020 . 1 . . . . . 24 VAL HB . 19967 1 289 . 1 1 24 24 VAL HG11 H 1 1.003 0.020 . 1 . . . . . 24 VAL HG1 . 19967 1 290 . 1 1 24 24 VAL HG12 H 1 1.003 0.020 . 1 . . . . . 24 VAL HG1 . 19967 1 291 . 1 1 24 24 VAL HG13 H 1 1.003 0.020 . 1 . . . . . 24 VAL HG1 . 19967 1 292 . 1 1 24 24 VAL HG21 H 1 0.801 0.020 . 1 . . . . . 24 VAL HG2 . 19967 1 293 . 1 1 24 24 VAL HG22 H 1 0.801 0.020 . 1 . . . . . 24 VAL HG2 . 19967 1 294 . 1 1 24 24 VAL HG23 H 1 0.801 0.020 . 1 . . . . . 24 VAL HG2 . 19967 1 295 . 1 1 24 24 VAL CA C 13 61.532 0.3 . 1 . . . . . 24 VAL CA . 19967 1 296 . 1 1 24 24 VAL CB C 13 32.421 0.3 . 1 . . . . . 24 VAL CB . 19967 1 297 . 1 1 24 24 VAL CG1 C 13 19.605 0.3 . 1 . . . . . 24 VAL CG1 . 19967 1 298 . 1 1 24 24 VAL CG2 C 13 22.922 0.3 . 1 . . . . . 24 VAL CG2 . 19967 1 299 . 1 1 24 24 VAL N N 15 115.144 0.3 . 1 . . . . . 24 VAL N . 19967 1 300 . 1 1 25 25 GLY H H 1 7.594 0.020 . 1 . . . . . 25 GLY H . 19967 1 301 . 1 1 25 25 GLY HA2 H 1 4.384 0.020 . 2 . . . . . 25 GLY HA2 . 19967 1 302 . 1 1 25 25 GLY HA3 H 1 4.137 0.020 . 2 . . . . . 25 GLY HA3 . 19967 1 303 . 1 1 25 25 GLY C C 13 173.261 0.3 . 1 . . . . . 25 GLY C . 19967 1 304 . 1 1 25 25 GLY CA C 13 43.874 0.3 . 1 . . . . . 25 GLY CA . 19967 1 305 . 1 1 25 25 GLY N N 15 106.944 0.3 . 1 . . . . . 25 GLY N . 19967 1 306 . 1 1 26 26 LYS H H 1 7.901 0.020 . 1 . . . . . 26 LYS H . 19967 1 307 . 1 1 26 26 LYS HA H 1 4.317 0.020 . 1 . . . . . 26 LYS HA . 19967 1 308 . 1 1 26 26 LYS HB2 H 1 1.823 0.020 . 2 . . . . . 26 LYS HB2 . 19967 1 309 . 1 1 26 26 LYS HB3 H 1 1.762 0.020 . 2 . . . . . 26 LYS HB3 . 19967 1 310 . 1 1 26 26 LYS HG2 H 1 1.590 0.020 . 1 . . . . . 26 LYS HG2 . 19967 1 311 . 1 1 26 26 LYS HG3 H 1 1.590 0.020 . 1 . . . . . 26 LYS HG3 . 19967 1 312 . 1 1 26 26 LYS HD2 H 1 1.684 0.020 . 1 . . . . . 26 LYS HD2 . 19967 1 313 . 1 1 26 26 LYS HD3 H 1 1.684 0.020 . 1 . . . . . 26 LYS HD3 . 19967 1 314 . 1 1 26 26 LYS HE2 H 1 3.058 0.020 . 1 . . . . . 26 LYS HE2 . 19967 1 315 . 1 1 26 26 LYS HE3 H 1 3.058 0.020 . 1 . . . . . 26 LYS HE3 . 19967 1 316 . 1 1 26 26 LYS C C 13 177.392 0.3 . 1 . . . . . 26 LYS C . 19967 1 317 . 1 1 26 26 LYS CA C 13 56.698 0.3 . 1 . . . . . 26 LYS CA . 19967 1 318 . 1 1 26 26 LYS CB C 13 33.916 0.3 . 1 . . . . . 26 LYS CB . 19967 1 319 . 1 1 26 26 LYS CG C 13 24.595 0.3 . 1 . . . . . 26 LYS CG . 19967 1 320 . 1 1 26 26 LYS CD C 13 28.863 0.3 . 1 . . . . . 26 LYS CD . 19967 1 321 . 1 1 26 26 LYS CE C 13 42.092 0.3 . 1 . . . . . 26 LYS CE . 19967 1 322 . 1 1 26 26 LYS N N 15 115.644 0.3 . 1 . . . . . 26 LYS N . 19967 1 323 . 1 1 27 27 GLY H H 1 8.741 0.020 . 1 . . . . . 27 GLY H . 19967 1 324 . 1 1 27 27 GLY HA2 H 1 3.711 0.020 . 2 . . . . . 27 GLY HA2 . 19967 1 325 . 1 1 27 27 GLY HA3 H 1 4.212 0.020 . 2 . . . . . 27 GLY HA3 . 19967 1 326 . 1 1 27 27 GLY C C 13 174.956 0.3 . 1 . . . . . 27 GLY C . 19967 1 327 . 1 1 27 27 GLY CA C 13 45.591 0.3 . 1 . . . . . 27 GLY CA . 19967 1 328 . 1 1 27 27 GLY N N 15 107.048 0.3 . 1 . . . . . 27 GLY N . 19967 1 329 . 1 1 28 28 LEU H H 1 9.581 0.020 . 1 . . . . . 28 LEU H . 19967 1 330 . 1 1 28 28 LEU HA H 1 4.684 0.020 . 1 . . . . . 28 LEU HA . 19967 1 331 . 1 1 28 28 LEU HB2 H 1 1.959 0.020 . 2 . . . . . 28 LEU HB2 . 19967 1 332 . 1 1 28 28 LEU HB3 H 1 1.373 0.020 . 2 . . . . . 28 LEU HB3 . 19967 1 333 . 1 1 28 28 LEU HG H 1 1.459 0.020 . 1 . . . . . 28 LEU HG . 19967 1 334 . 1 1 28 28 LEU HD11 H 1 0.602 0.020 . 1 . . . . . 28 LEU HD1 . 19967 1 335 . 1 1 28 28 LEU HD12 H 1 0.602 0.020 . 1 . . . . . 28 LEU HD1 . 19967 1 336 . 1 1 28 28 LEU HD13 H 1 0.602 0.020 . 1 . . . . . 28 LEU HD1 . 19967 1 337 . 1 1 28 28 LEU HD21 H 1 0.653 0.020 . 1 . . . . . 28 LEU HD2 . 19967 1 338 . 1 1 28 28 LEU HD22 H 1 0.653 0.020 . 1 . . . . . 28 LEU HD2 . 19967 1 339 . 1 1 28 28 LEU HD23 H 1 0.653 0.020 . 1 . . . . . 28 LEU HD2 . 19967 1 340 . 1 1 28 28 LEU C C 13 176.042 0.3 . 1 . . . . . 28 LEU C . 19967 1 341 . 1 1 28 28 LEU CA C 13 54.011 0.3 . 1 . . . . . 28 LEU CA . 19967 1 342 . 1 1 28 28 LEU CB C 13 43.399 0.3 . 1 . . . . . 28 LEU CB . 19967 1 343 . 1 1 28 28 LEU CG C 13 27.305 0.3 . 1 . . . . . 28 LEU CG . 19967 1 344 . 1 1 28 28 LEU CD1 C 13 25.962 0.3 . 1 . . . . . 28 LEU CD1 . 19967 1 345 . 1 1 28 28 LEU CD2 C 13 23.848 0.3 . 1 . . . . . 28 LEU CD2 . 19967 1 346 . 1 1 28 28 LEU N N 15 122.919 0.3 . 1 . . . . . 28 LEU N . 19967 1 347 . 1 1 29 29 HIS H H 1 9.165 0.020 . 1 . . . . . 29 HIS H . 19967 1 348 . 1 1 29 29 HIS HA H 1 5.171 0.020 . 1 . . . . . 29 HIS HA . 19967 1 349 . 1 1 29 29 HIS HB2 H 1 3.178 0.020 . 2 . . . . . 29 HIS HB2 . 19967 1 350 . 1 1 29 29 HIS HB3 H 1 3.384 0.020 . 2 . . . . . 29 HIS HB3 . 19967 1 351 . 1 1 29 29 HIS HD2 H 1 7.237 0.020 . 1 . . . . . 29 HIS HD2 . 19967 1 352 . 1 1 29 29 HIS C C 13 177.228 0.3 . 1 . . . . . 29 HIS C . 19967 1 353 . 1 1 29 29 HIS CA C 13 54.010 0.3 . 1 . . . . . 29 HIS CA . 19967 1 354 . 1 1 29 29 HIS CB C 13 33.629 0.3 . 1 . . . . . 29 HIS CB . 19967 1 355 . 1 1 29 29 HIS CD2 C 13 125.326 0.3 . 1 . . . . . 29 HIS CD2 . 19967 1 356 . 1 1 29 29 HIS N N 15 118.306 0.3 . 1 . . . . . 29 HIS N . 19967 1 357 . 1 1 30 30 ARG H H 1 9.779 0.020 . 1 . . . . . 30 ARG H . 19967 1 358 . 1 1 30 30 ARG HA H 1 3.950 0.020 . 1 . . . . . 30 ARG HA . 19967 1 359 . 1 1 30 30 ARG HB2 H 1 2.062 0.020 . 1 . . . . . 30 ARG HB2 . 19967 1 360 . 1 1 30 30 ARG HB3 H 1 2.062 0.020 . 1 . . . . . 30 ARG HB3 . 19967 1 361 . 1 1 30 30 ARG HG2 H 1 1.734 0.020 . 2 . . . . . 30 ARG HG2 . 19967 1 362 . 1 1 30 30 ARG HG3 H 1 1.668 0.020 . 2 . . . . . 30 ARG HG3 . 19967 1 363 . 1 1 30 30 ARG HD2 H 1 3.357 0.020 . 1 . . . . . 30 ARG HD2 . 19967 1 364 . 1 1 30 30 ARG HD3 H 1 3.357 0.020 . 1 . . . . . 30 ARG HD3 . 19967 1 365 . 1 1 30 30 ARG C C 13 178.148 0.3 . 1 . . . . . 30 ARG C . 19967 1 366 . 1 1 30 30 ARG CA C 13 61.042 0.3 . 1 . . . . . 30 ARG CA . 19967 1 367 . 1 1 30 30 ARG CB C 13 30.037 0.3 . 1 . . . . . 30 ARG CB . 19967 1 368 . 1 1 30 30 ARG CG C 13 27.317 0.3 . 1 . . . . . 30 ARG CG . 19967 1 369 . 1 1 30 30 ARG CD C 13 43.521 0.3 . 1 . . . . . 30 ARG CD . 19967 1 370 . 1 1 30 30 ARG N N 15 122.341 0.3 . 1 . . . . . 30 ARG N . 19967 1 371 . 1 1 31 31 GLY H H 1 9.439 0.020 . 1 . . . . . 31 GLY H . 19967 1 372 . 1 1 31 31 GLY HA2 H 1 4.050 0.020 . 2 . . . . . 31 GLY HA2 . 19967 1 373 . 1 1 31 31 GLY HA3 H 1 3.891 0.020 . 2 . . . . . 31 GLY HA3 . 19967 1 374 . 1 1 31 31 GLY CA C 13 47.004 0.3 . 1 . . . . . 31 GLY CA . 19967 1 375 . 1 1 31 31 GLY N N 15 107.380 0.3 . 1 . . . . . 31 GLY N . 19967 1 376 . 1 1 32 32 ASP H H 1 7.427 0.020 . 1 . . . . . 32 ASP H . 19967 1 377 . 1 1 32 32 ASP HA H 1 4.463 0.020 . 1 . . . . . 32 ASP HA . 19967 1 378 . 1 1 32 32 ASP HB2 H 1 2.695 0.020 . 2 . . . . . 32 ASP HB2 . 19967 1 379 . 1 1 32 32 ASP HB3 H 1 2.958 0.020 . 2 . . . . . 32 ASP HB3 . 19967 1 380 . 1 1 32 32 ASP C C 13 178.844 0.3 . 1 . . . . . 32 ASP C . 19967 1 381 . 1 1 32 32 ASP CA C 13 57.240 0.3 . 1 . . . . . 32 ASP CA . 19967 1 382 . 1 1 32 32 ASP CB C 13 42.098 0.3 . 1 . . . . . 32 ASP CB . 19967 1 383 . 1 1 32 32 ASP N N 15 121.238 0.3 . 1 . . . . . 32 ASP N . 19967 1 384 . 1 1 33 33 ILE H H 1 7.317 0.020 . 1 . . . . . 33 ILE H . 19967 1 385 . 1 1 33 33 ILE HA H 1 3.666 0.020 . 1 . . . . . 33 ILE HA . 19967 1 386 . 1 1 33 33 ILE HB H 1 2.124 0.020 . 1 . . . . . 33 ILE HB . 19967 1 387 . 1 1 33 33 ILE HG12 H 1 0.363 0.020 . 2 . . . . . 33 ILE HG12 . 19967 1 388 . 1 1 33 33 ILE HG13 H 1 1.158 0.020 . 2 . . . . . 33 ILE HG13 . 19967 1 389 . 1 1 33 33 ILE HG21 H 1 0.648 0.020 . 1 . . . . . 33 ILE HG2 . 19967 1 390 . 1 1 33 33 ILE HG22 H 1 0.648 0.020 . 1 . . . . . 33 ILE HG2 . 19967 1 391 . 1 1 33 33 ILE HG23 H 1 0.648 0.020 . 1 . . . . . 33 ILE HG2 . 19967 1 392 . 1 1 33 33 ILE HD11 H 1 -0.003 0.020 . 1 . . . . . 33 ILE HD1 . 19967 1 393 . 1 1 33 33 ILE HD12 H 1 -0.003 0.020 . 1 . . . . . 33 ILE HD1 . 19967 1 394 . 1 1 33 33 ILE HD13 H 1 -0.003 0.020 . 1 . . . . . 33 ILE HD1 . 19967 1 395 . 1 1 33 33 ILE C C 13 178.680 0.3 . 1 . . . . . 33 ILE C . 19967 1 396 . 1 1 33 33 ILE CA C 13 61.478 0.3 . 1 . . . . . 33 ILE CA . 19967 1 397 . 1 1 33 33 ILE CB C 13 35.090 0.3 . 1 . . . . . 33 ILE CB . 19967 1 398 . 1 1 33 33 ILE CG1 C 13 26.426 0.3 . 1 . . . . . 33 ILE CG1 . 19967 1 399 . 1 1 33 33 ILE CG2 C 13 18.991 0.3 . 1 . . . . . 33 ILE CG2 . 19967 1 400 . 1 1 33 33 ILE CD1 C 13 7.996 0.3 . 1 . . . . . 33 ILE CD1 . 19967 1 401 . 1 1 33 33 ILE N N 15 118.632 0.3 . 1 . . . . . 33 ILE N . 19967 1 402 . 1 1 34 34 LYS H H 1 8.568 0.020 . 1 . . . . . 34 LYS H . 19967 1 403 . 1 1 34 34 LYS HA H 1 3.677 0.020 . 1 . . . . . 34 LYS HA . 19967 1 404 . 1 1 34 34 LYS HB2 H 1 1.865 0.020 . 1 . . . . . 34 LYS HB2 . 19967 1 405 . 1 1 34 34 LYS HB3 H 1 1.865 0.020 . 1 . . . . . 34 LYS HB3 . 19967 1 406 . 1 1 34 34 LYS HG2 H 1 1.170 0.020 . 2 . . . . . 34 LYS HG2 . 19967 1 407 . 1 1 34 34 LYS HG3 H 1 1.433 0.020 . 2 . . . . . 34 LYS HG3 . 19967 1 408 . 1 1 34 34 LYS HD2 H 1 1.649 0.020 . 1 . . . . . 34 LYS HD2 . 19967 1 409 . 1 1 34 34 LYS HD3 H 1 1.649 0.020 . 1 . . . . . 34 LYS HD3 . 19967 1 410 . 1 1 34 34 LYS HE2 H 1 2.887 0.020 . 1 . . . . . 34 LYS HE2 . 19967 1 411 . 1 1 34 34 LYS HE3 H 1 2.887 0.020 . 1 . . . . . 34 LYS HE3 . 19967 1 412 . 1 1 34 34 LYS C C 13 178.660 0.3 . 1 . . . . . 34 LYS C . 19967 1 413 . 1 1 34 34 LYS CA C 13 61.271 0.3 . 1 . . . . . 34 LYS CA . 19967 1 414 . 1 1 34 34 LYS CB C 13 32.164 0.3 . 1 . . . . . 34 LYS CB . 19967 1 415 . 1 1 34 34 LYS CG C 13 25.346 0.3 . 1 . . . . . 34 LYS CG . 19967 1 416 . 1 1 34 34 LYS CD C 13 29.140 0.3 . 1 . . . . . 34 LYS CD . 19967 1 417 . 1 1 34 34 LYS CE C 13 41.867 0.3 . 1 . . . . . 34 LYS CE . 19967 1 418 . 1 1 34 34 LYS N N 15 120.005 0.3 . 1 . . . . . 34 LYS N . 19967 1 419 . 1 1 35 35 GLU H H 1 7.878 0.020 . 1 . . . . . 35 GLU H . 19967 1 420 . 1 1 35 35 GLU HA H 1 4.021 0.020 . 1 . . . . . 35 GLU HA . 19967 1 421 . 1 1 35 35 GLU HB2 H 1 1.970 0.020 . 2 . . . . . 35 GLU HB2 . 19967 1 422 . 1 1 35 35 GLU HB3 H 1 2.123 0.020 . 2 . . . . . 35 GLU HB3 . 19967 1 423 . 1 1 35 35 GLU HG2 H 1 2.340 0.020 . 1 . . . . . 35 GLU HG2 . 19967 1 424 . 1 1 35 35 GLU HG3 H 1 2.340 0.020 . 1 . . . . . 35 GLU HG3 . 19967 1 425 . 1 1 35 35 GLU C C 13 179.048 0.3 . 1 . . . . . 35 GLU C . 19967 1 426 . 1 1 35 35 GLU CA C 13 59.815 0.3 . 1 . . . . . 35 GLU CA . 19967 1 427 . 1 1 35 35 GLU CB C 13 29.252 0.3 . 1 . . . . . 35 GLU CB . 19967 1 428 . 1 1 35 35 GLU CG C 13 35.904 0.3 . 1 . . . . . 35 GLU CG . 19967 1 429 . 1 1 35 35 GLU N N 15 119.464 0.3 . 1 . . . . . 35 GLU N . 19967 1 430 . 1 1 36 36 ILE H H 1 7.582 0.020 . 1 . . . . . 36 ILE H . 19967 1 431 . 1 1 36 36 ILE HA H 1 3.635 0.020 . 1 . . . . . 36 ILE HA . 19967 1 432 . 1 1 36 36 ILE HB H 1 1.693 0.020 . 1 . . . . . 36 ILE HB . 19967 1 433 . 1 1 36 36 ILE HG12 H 1 0.935 0.020 . 2 . . . . . 36 ILE HG12 . 19967 1 434 . 1 1 36 36 ILE HG13 H 1 1.798 0.020 . 2 . . . . . 36 ILE HG13 . 19967 1 435 . 1 1 36 36 ILE HG21 H 1 0.251 0.020 . 1 . . . . . 36 ILE HG2 . 19967 1 436 . 1 1 36 36 ILE HG22 H 1 0.251 0.020 . 1 . . . . . 36 ILE HG2 . 19967 1 437 . 1 1 36 36 ILE HG23 H 1 0.251 0.020 . 1 . . . . . 36 ILE HG2 . 19967 1 438 . 1 1 36 36 ILE HD11 H 1 0.725 0.020 . 1 . . . . . 36 ILE HD1 . 19967 1 439 . 1 1 36 36 ILE HD12 H 1 0.725 0.020 . 1 . . . . . 36 ILE HD1 . 19967 1 440 . 1 1 36 36 ILE HD13 H 1 0.725 0.020 . 1 . . . . . 36 ILE HD1 . 19967 1 441 . 1 1 36 36 ILE C C 13 178.925 0.3 . 1 . . . . . 36 ILE C . 19967 1 442 . 1 1 36 36 ILE CA C 13 64.843 0.3 . 1 . . . . . 36 ILE CA . 19967 1 443 . 1 1 36 36 ILE CB C 13 38.783 0.3 . 1 . . . . . 36 ILE CB . 19967 1 444 . 1 1 36 36 ILE CG1 C 13 28.905 0.3 . 1 . . . . . 36 ILE CG1 . 19967 1 445 . 1 1 36 36 ILE CG2 C 13 15.557 0.3 . 1 . . . . . 36 ILE CG2 . 19967 1 446 . 1 1 36 36 ILE CD1 C 13 14.169 0.3 . 1 . . . . . 36 ILE CD1 . 19967 1 447 . 1 1 36 36 ILE N N 15 118.889 0.3 . 1 . . . . . 36 ILE N . 19967 1 448 . 1 1 37 37 PHE H H 1 8.142 0.020 . 1 . . . . . 37 PHE H . 19967 1 449 . 1 1 37 37 PHE HA H 1 4.292 0.020 . 1 . . . . . 37 PHE HA . 19967 1 450 . 1 1 37 37 PHE HB2 H 1 3.401 0.020 . 2 . . . . . 37 PHE HB2 . 19967 1 451 . 1 1 37 37 PHE HB3 H 1 2.628 0.020 . 2 . . . . . 37 PHE HB3 . 19967 1 452 . 1 1 37 37 PHE HD1 H 1 6.655 0.020 . 3 . . . . . 37 PHE HD1 . 19967 1 453 . 1 1 37 37 PHE HD2 H 1 7.060 0.020 . 3 . . . . . 37 PHE HD2 . 19967 1 454 . 1 1 37 37 PHE HE1 H 1 7.729 0.020 . 3 . . . . . 37 PHE HE1 . 19967 1 455 . 1 1 37 37 PHE HE2 H 1 7.884 0.020 . 3 . . . . . 37 PHE HE2 . 19967 1 456 . 1 1 37 37 PHE HZ H 1 6.607 0.020 . 1 . . . . . 37 PHE HZ . 19967 1 457 . 1 1 37 37 PHE C C 13 179.805 0.3 . 1 . . . . . 37 PHE C . 19967 1 458 . 1 1 37 37 PHE CA C 13 62.759 0.3 . 1 . . . . . 37 PHE CA . 19967 1 459 . 1 1 37 37 PHE CB C 13 37.509 0.3 . 1 . . . . . 37 PHE CB . 19967 1 460 . 1 1 37 37 PHE CD1 C 13 130.040 0.3 . 1 . . . . . 37 PHE CD1 . 19967 1 461 . 1 1 37 37 PHE CD2 C 13 131.141 0.3 . 1 . . . . . 37 PHE CD2 . 19967 1 462 . 1 1 37 37 PHE CE1 C 13 130.926 0.3 . 1 . . . . . 37 PHE CE1 . 19967 1 463 . 1 1 37 37 PHE CE2 C 13 136.751 0.3 . 1 . . . . . 37 PHE CE2 . 19967 1 464 . 1 1 37 37 PHE CZ C 13 128.625 0.3 . 1 . . . . . 37 PHE CZ . 19967 1 465 . 1 1 37 37 PHE N N 15 114.774 0.3 . 1 . . . . . 37 PHE N . 19967 1 466 . 1 1 38 38 SER H H 1 8.785 0.020 . 1 . . . . . 38 SER H . 19967 1 467 . 1 1 38 38 SER HA H 1 5.204 0.020 . 1 . . . . . 38 SER HA . 19967 1 468 . 1 1 38 38 SER HB2 H 1 4.165 0.020 . 2 . . . . . 38 SER HB2 . 19967 1 469 . 1 1 38 38 SER HB3 H 1 4.050 0.020 . 2 . . . . . 38 SER HB3 . 19967 1 470 . 1 1 38 38 SER CA C 13 61.083 0.3 . 1 . . . . . 38 SER CA . 19967 1 471 . 1 1 38 38 SER CB C 13 62.934 0.3 . 1 . . . . . 38 SER CB . 19967 1 472 . 1 1 38 38 SER N N 15 119.554 0.3 . 1 . . . . . 38 SER N . 19967 1 473 . 1 1 39 39 GLN H H 1 6.943 0.020 . 1 . . . . . 39 GLN H . 19967 1 474 . 1 1 39 39 GLN HA H 1 3.932 0.020 . 1 . . . . . 39 GLN HA . 19967 1 475 . 1 1 39 39 GLN HB2 H 1 1.396 0.020 . 1 . . . . . 39 GLN HB2 . 19967 1 476 . 1 1 39 39 GLN HB3 H 1 1.396 0.020 . 1 . . . . . 39 GLN HB3 . 19967 1 477 . 1 1 39 39 GLN HG2 H 1 2.054 0.020 . 2 . . . . . 39 GLN HG2 . 19967 1 478 . 1 1 39 39 GLN HG3 H 1 2.011 0.020 . 2 . . . . . 39 GLN HG3 . 19967 1 479 . 1 1 39 39 GLN HE21 H 1 7.433 0.020 . 1 . . . . . 39 GLN HE21 . 19967 1 480 . 1 1 39 39 GLN HE22 H 1 7.144 0.020 . 1 . . . . . 39 GLN HE22 . 19967 1 481 . 1 1 39 39 GLN C C 13 176.758 0.3 . 1 . . . . . 39 GLN C . 19967 1 482 . 1 1 39 39 GLN CA C 13 57.404 0.3 . 1 . . . . . 39 GLN CA . 19967 1 483 . 1 1 39 39 GLN CB C 13 27.774 0.3 . 1 . . . . . 39 GLN CB . 19967 1 484 . 1 1 39 39 GLN CG C 13 33.410 0.3 . 1 . . . . . 39 GLN CG . 19967 1 485 . 1 1 39 39 GLN N N 15 118.168 0.3 . 1 . . . . . 39 GLN N . 19967 1 486 . 1 1 39 39 GLN NE2 N 15 111.959 0.3 . 1 . . . . . 39 GLN NE2 . 19967 1 487 . 1 1 40 40 TYR H H 1 6.906 0.020 . 1 . . . . . 40 TYR H . 19967 1 488 . 1 1 40 40 TYR HA H 1 4.548 0.020 . 1 . . . . . 40 TYR HA . 19967 1 489 . 1 1 40 40 TYR HB2 H 1 3.318 0.020 . 2 . . . . . 40 TYR HB2 . 19967 1 490 . 1 1 40 40 TYR HB3 H 1 2.648 0.020 . 2 . . . . . 40 TYR HB3 . 19967 1 491 . 1 1 40 40 TYR HD1 H 1 7.022 0.020 . 3 . . . . . 40 TYR HD1 . 19967 1 492 . 1 1 40 40 TYR HD2 H 1 6.521 0.020 . 3 . . . . . 40 TYR HD2 . 19967 1 493 . 1 1 40 40 TYR HE1 H 1 6.612 0.020 . 3 . . . . . 40 TYR HE1 . 19967 1 494 . 1 1 40 40 TYR HE2 H 1 7.009 0.020 . 3 . . . . . 40 TYR HE2 . 19967 1 495 . 1 1 40 40 TYR C C 13 174.283 0.3 . 1 . . . . . 40 TYR C . 19967 1 496 . 1 1 40 40 TYR CA C 13 57.853 0.3 . 1 . . . . . 40 TYR CA . 19967 1 497 . 1 1 40 40 TYR CB C 13 39.181 0.3 . 1 . . . . . 40 TYR CB . 19967 1 498 . 1 1 40 40 TYR CD1 C 13 131.469 0.3 . 1 . . . . . 40 TYR CD1 . 19967 1 499 . 1 1 40 40 TYR CD2 C 13 116.849 0.3 . 1 . . . . . 40 TYR CD2 . 19967 1 500 . 1 1 40 40 TYR CE1 C 13 117.162 0.3 . 1 . . . . . 40 TYR CE1 . 19967 1 501 . 1 1 40 40 TYR CE2 C 13 130.449 0.3 . 1 . . . . . 40 TYR CE2 . 19967 1 502 . 1 1 40 40 TYR N N 15 113.668 0.3 . 1 . . . . . 40 TYR N . 19967 1 503 . 1 1 41 41 GLY H H 1 7.351 0.020 . 1 . . . . . 41 GLY H . 19967 1 504 . 1 1 41 41 GLY HA2 H 1 3.983 0.020 . 2 . . . . . 41 GLY HA2 . 19967 1 505 . 1 1 41 41 GLY HA3 H 1 4.423 0.020 . 2 . . . . . 41 GLY HA3 . 19967 1 506 . 1 1 41 41 GLY C C 13 171.032 0.3 . 1 . . . . . 41 GLY C . 19967 1 507 . 1 1 41 41 GLY CA C 13 44.324 0.3 . 1 . . . . . 41 GLY CA . 19967 1 508 . 1 1 41 41 GLY N N 15 105.713 0.3 . 1 . . . . . 41 GLY N . 19967 1 509 . 1 1 42 42 GLU H H 1 8.447 0.020 . 1 . . . . . 42 GLU H . 19967 1 510 . 1 1 42 42 GLU HA H 1 4.372 0.020 . 1 . . . . . 42 GLU HA . 19967 1 511 . 1 1 42 42 GLU HB2 H 1 1.941 0.020 . 2 . . . . . 42 GLU HB2 . 19967 1 512 . 1 1 42 42 GLU HB3 H 1 2.055 0.020 . 2 . . . . . 42 GLU HB3 . 19967 1 513 . 1 1 42 42 GLU HG2 H 1 2.386 0.020 . 1 . . . . . 42 GLU HG2 . 19967 1 514 . 1 1 42 42 GLU HG3 H 1 2.386 0.020 . 1 . . . . . 42 GLU HG3 . 19967 1 515 . 1 1 42 42 GLU C C 13 176.430 0.3 . 1 . . . . . 42 GLU C . 19967 1 516 . 1 1 42 42 GLU CA C 13 57.404 0.3 . 1 . . . . . 42 GLU CA . 19967 1 517 . 1 1 42 42 GLU CB C 13 30.032 0.3 . 1 . . . . . 42 GLU CB . 19967 1 518 . 1 1 42 42 GLU CG C 13 36.439 0.3 . 1 . . . . . 42 GLU CG . 19967 1 519 . 1 1 42 42 GLU N N 15 117.361 0.3 . 1 . . . . . 42 GLU N . 19967 1 520 . 1 1 43 43 VAL H H 1 9.031 0.020 . 1 . . . . . 43 VAL H . 19967 1 521 . 1 1 43 43 VAL HA H 1 3.772 0.020 . 1 . . . . . 43 VAL HA . 19967 1 522 . 1 1 43 43 VAL HB H 1 1.813 0.020 . 1 . . . . . 43 VAL HB . 19967 1 523 . 1 1 43 43 VAL HG11 H 1 0.667 0.020 . 1 . . . . . 43 VAL HG1 . 19967 1 524 . 1 1 43 43 VAL HG12 H 1 0.667 0.020 . 1 . . . . . 43 VAL HG1 . 19967 1 525 . 1 1 43 43 VAL HG13 H 1 0.667 0.020 . 1 . . . . . 43 VAL HG1 . 19967 1 526 . 1 1 43 43 VAL HG21 H 1 0.581 0.020 . 1 . . . . . 43 VAL HG2 . 19967 1 527 . 1 1 43 43 VAL HG22 H 1 0.581 0.020 . 1 . . . . . 43 VAL HG2 . 19967 1 528 . 1 1 43 43 VAL HG23 H 1 0.581 0.020 . 1 . . . . . 43 VAL HG2 . 19967 1 529 . 1 1 43 43 VAL C C 13 176.026 0.3 . 1 . . . . . 43 VAL C . 19967 1 530 . 1 1 43 43 VAL CA C 13 62.370 0.3 . 1 . . . . . 43 VAL CA . 19967 1 531 . 1 1 43 43 VAL CB C 13 32.844 0.3 . 1 . . . . . 43 VAL CB . 19967 1 532 . 1 1 43 43 VAL CG1 C 13 22.191 0.3 . 1 . . . . . 43 VAL CG1 . 19967 1 533 . 1 1 43 43 VAL CG2 C 13 22.729 0.3 . 1 . . . . . 43 VAL CG2 . 19967 1 534 . 1 1 43 43 VAL N N 15 128.429 0.3 . 1 . . . . . 43 VAL N . 19967 1 535 . 1 1 44 44 GLN H H 1 9.236 0.020 . 1 . . . . . 44 GLN H . 19967 1 536 . 1 1 44 44 GLN HA H 1 4.456 0.020 . 1 . . . . . 44 GLN HA . 19967 1 537 . 1 1 44 44 GLN HB2 H 1 1.662 0.020 . 2 . . . . . 44 GLN HB2 . 19967 1 538 . 1 1 44 44 GLN HB3 H 1 1.930 0.020 . 2 . . . . . 44 GLN HB3 . 19967 1 539 . 1 1 44 44 GLN HG2 H 1 2.265 0.020 . 1 . . . . . 44 GLN HG2 . 19967 1 540 . 1 1 44 44 GLN HG3 H 1 2.265 0.020 . 1 . . . . . 44 GLN HG3 . 19967 1 541 . 1 1 44 44 GLN HE21 H 1 7.419 0.020 . 1 . . . . . 44 GLN HE21 . 19967 1 542 . 1 1 44 44 GLN HE22 H 1 7.146 0.020 . 1 . . . . . 44 GLN HE22 . 19967 1 543 . 1 1 44 44 GLN C C 13 176.042 0.3 . 1 . . . . . 44 GLN C . 19967 1 544 . 1 1 44 44 GLN CA C 13 56.178 0.3 . 1 . . . . . 44 GLN CA . 19967 1 545 . 1 1 44 44 GLN CB C 13 30.731 0.3 . 1 . . . . . 44 GLN CB . 19967 1 546 . 1 1 44 44 GLN CG C 13 33.457 0.3 . 1 . . . . . 44 GLN CG . 19967 1 547 . 1 1 44 44 GLN N N 15 126.258 0.3 . 1 . . . . . 44 GLN N . 19967 1 548 . 1 1 44 44 GLN NE2 N 15 112.908 0.3 . 1 . . . . . 44 GLN NE2 . 19967 1 549 . 1 1 45 45 PHE H H 1 7.608 0.020 . 1 . . . . . 45 PHE H . 19967 1 550 . 1 1 45 45 PHE HA H 1 4.548 0.020 . 1 . . . . . 45 PHE HA . 19967 1 551 . 1 1 45 45 PHE HB2 H 1 2.487 0.020 . 2 . . . . . 45 PHE HB2 . 19967 1 552 . 1 1 45 45 PHE HB3 H 1 3.172 0.020 . 2 . . . . . 45 PHE HB3 . 19967 1 553 . 1 1 45 45 PHE HD1 H 1 6.990 0.020 . 3 . . . . . 45 PHE HD1 . 19967 1 554 . 1 1 45 45 PHE HD2 H 1 7.146 0.020 . 3 . . . . . 45 PHE HD2 . 19967 1 555 . 1 1 45 45 PHE HE1 H 1 6.873 0.020 . 3 . . . . . 45 PHE HE1 . 19967 1 556 . 1 1 45 45 PHE HE2 H 1 7.420 0.020 . 3 . . . . . 45 PHE HE2 . 19967 1 557 . 1 1 45 45 PHE C C 13 172.463 0.3 . 1 . . . . . 45 PHE C . 19967 1 558 . 1 1 45 45 PHE CA C 13 58.262 0.3 . 1 . . . . . 45 PHE CA . 19967 1 559 . 1 1 45 45 PHE CB C 13 42.843 0.3 . 1 . . . . . 45 PHE CB . 19967 1 560 . 1 1 45 45 PHE CD1 C 13 118.985 0.3 . 1 . . . . . 45 PHE CD1 . 19967 1 561 . 1 1 45 45 PHE CD2 C 13 118.267 0.3 . 1 . . . . . 45 PHE CD2 . 19967 1 562 . 1 1 45 45 PHE CE1 C 13 121.210 0.3 . 1 . . . . . 45 PHE CE1 . 19967 1 563 . 1 1 45 45 PHE CE2 C 13 119.362 0.3 . 1 . . . . . 45 PHE CE2 . 19967 1 564 . 1 1 45 45 PHE N N 15 117.641 0.3 . 1 . . . . . 45 PHE N . 19967 1 565 . 1 1 46 46 VAL H H 1 7.696 0.020 . 1 . . . . . 46 VAL H . 19967 1 566 . 1 1 46 46 VAL HA H 1 4.201 0.020 . 1 . . . . . 46 VAL HA . 19967 1 567 . 1 1 46 46 VAL HB H 1 1.741 0.020 . 1 . . . . . 46 VAL HB . 19967 1 568 . 1 1 46 46 VAL HG11 H 1 0.897 0.020 . 1 . . . . . 46 VAL HG1 . 19967 1 569 . 1 1 46 46 VAL HG12 H 1 0.897 0.020 . 1 . . . . . 46 VAL HG1 . 19967 1 570 . 1 1 46 46 VAL HG13 H 1 0.897 0.020 . 1 . . . . . 46 VAL HG1 . 19967 1 571 . 1 1 46 46 VAL HG21 H 1 0.738 0.020 . 1 . . . . . 46 VAL HG2 . 19967 1 572 . 1 1 46 46 VAL HG22 H 1 0.738 0.020 . 1 . . . . . 46 VAL HG2 . 19967 1 573 . 1 1 46 46 VAL HG23 H 1 0.738 0.020 . 1 . . . . . 46 VAL HG2 . 19967 1 574 . 1 1 46 46 VAL C C 13 173.220 0.3 . 1 . . . . . 46 VAL C . 19967 1 575 . 1 1 46 46 VAL CA C 13 61.328 0.3 . 1 . . . . . 46 VAL CA . 19967 1 576 . 1 1 46 46 VAL CB C 13 33.633 0.3 . 1 . . . . . 46 VAL CB . 19967 1 577 . 1 1 46 46 VAL CG1 C 13 22.026 0.3 . 1 . . . . . 46 VAL CG1 . 19967 1 578 . 1 1 46 46 VAL CG2 C 13 21.681 0.3 . 1 . . . . . 46 VAL CG2 . 19967 1 579 . 1 1 46 46 VAL N N 15 126.735 0.3 . 1 . . . . . 46 VAL N . 19967 1 580 . 1 1 47 47 GLY H H 1 9.031 0.020 . 1 . . . . . 47 GLY H . 19967 1 581 . 1 1 47 47 GLY HA2 H 1 3.317 0.020 . 2 . . . . . 47 GLY HA2 . 19967 1 582 . 1 1 47 47 GLY HA3 H 1 4.267 0.020 . 2 . . . . . 47 GLY HA3 . 19967 1 583 . 1 1 47 47 GLY CA C 13 46.000 0.3 . 1 . . . . . 47 GLY CA . 19967 1 584 . 1 1 47 47 GLY N N 15 118.369 0.3 . 1 . . . . . 47 GLY N . 19967 1 585 . 1 1 48 48 TYR H H 1 7.619 0.020 . 1 . . . . . 48 TYR H . 19967 1 586 . 1 1 48 48 TYR HA H 1 4.825 0.020 . 1 . . . . . 48 TYR HA . 19967 1 587 . 1 1 48 48 TYR HB2 H 1 3.198 0.020 . 1 . . . . . 48 TYR HB2 . 19967 1 588 . 1 1 48 48 TYR HB3 H 1 3.198 0.020 . 1 . . . . . 48 TYR HB3 . 19967 1 589 . 1 1 48 48 TYR HD1 H 1 6.660 0.020 . 3 . . . . . 48 TYR HD1 . 19967 1 590 . 1 1 48 48 TYR HD2 H 1 6.498 0.020 . 3 . . . . . 48 TYR HD2 . 19967 1 591 . 1 1 48 48 TYR HE1 H 1 6.739 0.020 . 3 . . . . . 48 TYR HE1 . 19967 1 592 . 1 1 48 48 TYR HE2 H 1 6.742 0.020 . 3 . . . . . 48 TYR HE2 . 19967 1 593 . 1 1 48 48 TYR C C 13 172.656 0.3 . 1 . . . . . 48 TYR C . 19967 1 594 . 1 1 48 48 TYR CA C 13 59.284 0.3 . 1 . . . . . 48 TYR CA . 19967 1 595 . 1 1 48 48 TYR CB C 13 41.855 0.3 . 1 . . . . . 48 TYR CB . 19967 1 596 . 1 1 48 48 TYR CD1 C 13 130.765 0.3 . 1 . . . . . 48 TYR CD1 . 19967 1 597 . 1 1 48 48 TYR CD2 C 13 117.445 0.3 . 1 . . . . . 48 TYR CD2 . 19967 1 598 . 1 1 48 48 TYR CE1 C 13 131.944 0.3 . 1 . . . . . 48 TYR CE1 . 19967 1 599 . 1 1 48 48 TYR CE2 C 13 116.986 0.3 . 1 . . . . . 48 TYR CE2 . 19967 1 600 . 1 1 48 48 TYR N N 15 121.429 0.3 . 1 . . . . . 48 TYR N . 19967 1 601 . 1 1 49 49 ASN H H 1 7.569 0.020 . 1 . . . . . 49 ASN H . 19967 1 602 . 1 1 49 49 ASN HA H 1 4.845 0.020 . 1 . . . . . 49 ASN HA . 19967 1 603 . 1 1 49 49 ASN HB2 H 1 2.286 0.020 . 2 . . . . . 49 ASN HB2 . 19967 1 604 . 1 1 49 49 ASN HB3 H 1 2.598 0.020 . 2 . . . . . 49 ASN HB3 . 19967 1 605 . 1 1 49 49 ASN HD21 H 1 6.764 0.020 . 1 . . . . . 49 ASN HD21 . 19967 1 606 . 1 1 49 49 ASN HD22 H 1 7.241 0.020 . 1 . . . . . 49 ASN HD22 . 19967 1 607 . 1 1 49 49 ASN C C 13 172.302 0.3 . 1 . . . . . 49 ASN C . 19967 1 608 . 1 1 49 49 ASN CA C 13 51.150 0.3 . 1 . . . . . 49 ASN CA . 19967 1 609 . 1 1 49 49 ASN CB C 13 40.096 0.3 . 1 . . . . . 49 ASN CB . 19967 1 610 . 1 1 49 49 ASN N N 15 126.467 0.3 . 1 . . . . . 49 ASN N . 19967 1 611 . 1 1 49 49 ASN ND2 N 15 113.421 0.3 . 1 . . . . . 49 ASN ND2 . 19967 1 612 . 1 1 50 50 SER H H 1 8.162 0.020 . 1 . . . . . 50 SER H . 19967 1 613 . 1 1 50 50 SER HA H 1 4.414 0.020 . 1 . . . . . 50 SER HA . 19967 1 614 . 1 1 50 50 SER HB2 H 1 3.717 0.020 . 2 . . . . . 50 SER HB2 . 19967 1 615 . 1 1 50 50 SER HB3 H 1 3.972 0.020 . 2 . . . . . 50 SER HB3 . 19967 1 616 . 1 1 50 50 SER CA C 13 60.486 0.3 . 1 . . . . . 50 SER CA . 19967 1 617 . 1 1 50 50 SER CB C 13 63.146 0.3 . 1 . . . . . 50 SER CB . 19967 1 618 . 1 1 50 50 SER N N 15 114.395 0.3 . 1 . . . . . 50 SER N . 19967 1 619 . 1 1 51 51 ASP H H 1 7.803 0.020 . 1 . . . . . 51 ASP H . 19967 1 620 . 1 1 51 51 ASP HA H 1 5.078 0.020 . 1 . . . . . 51 ASP HA . 19967 1 621 . 1 1 51 51 ASP HB2 H 1 3.022 0.020 . 2 . . . . . 51 ASP HB2 . 19967 1 622 . 1 1 51 51 ASP HB3 H 1 2.836 0.020 . 2 . . . . . 51 ASP HB3 . 19967 1 623 . 1 1 51 51 ASP C C 13 176.226 0.3 . 1 . . . . . 51 ASP C . 19967 1 624 . 1 1 51 51 ASP CA C 13 56.983 0.3 . 1 . . . . . 51 ASP CA . 19967 1 625 . 1 1 51 51 ASP CB C 13 40.195 0.3 . 1 . . . . . 51 ASP CB . 19967 1 626 . 1 1 51 51 ASP N N 15 116.177 0.3 . 1 . . . . . 51 ASP N . 19967 1 627 . 1 1 52 52 GLU H H 1 7.715 0.020 . 1 . . . . . 52 GLU H . 19967 1 628 . 1 1 52 52 GLU HA H 1 4.388 0.020 . 1 . . . . . 52 GLU HA . 19967 1 629 . 1 1 52 52 GLU HB2 H 1 2.046 0.020 . 1 . . . . . 52 GLU HB2 . 19967 1 630 . 1 1 52 52 GLU HB3 H 1 2.046 0.020 . 1 . . . . . 52 GLU HB3 . 19967 1 631 . 1 1 52 52 GLU HG2 H 1 2.368 0.020 . 2 . . . . . 52 GLU HG2 . 19967 1 632 . 1 1 52 52 GLU HG3 H 1 2.161 0.020 . 2 . . . . . 52 GLU HG3 . 19967 1 633 . 1 1 52 52 GLU C C 13 178.005 0.3 . 1 . . . . . 52 GLU C . 19967 1 634 . 1 1 52 52 GLU CA C 13 57.246 0.3 . 1 . . . . . 52 GLU CA . 19967 1 635 . 1 1 52 52 GLU CB C 13 29.675 0.3 . 1 . . . . . 52 GLU CB . 19967 1 636 . 1 1 52 52 GLU CG C 13 36.285 0.3 . 1 . . . . . 52 GLU CG . 19967 1 637 . 1 1 52 52 GLU N N 15 119.663 0.3 . 1 . . . . . 52 GLU N . 19967 1 638 . 1 1 53 53 GLU H H 1 8.925 0.020 . 1 . . . . . 53 GLU H . 19967 1 639 . 1 1 53 53 GLU HA H 1 4.639 0.020 . 1 . . . . . 53 GLU HA . 19967 1 640 . 1 1 53 53 GLU HB2 H 1 2.103 0.020 . 2 . . . . . 53 GLU HB2 . 19967 1 641 . 1 1 53 53 GLU HB3 H 1 2.139 0.020 . 2 . . . . . 53 GLU HB3 . 19967 1 642 . 1 1 53 53 GLU HG2 H 1 2.512 0.020 . 2 . . . . . 53 GLU HG2 . 19967 1 643 . 1 1 53 53 GLU HG3 H 1 2.427 0.020 . 2 . . . . . 53 GLU HG3 . 19967 1 644 . 1 1 53 53 GLU CA C 13 58.099 0.3 . 1 . . . . . 53 GLU CA . 19967 1 645 . 1 1 53 53 GLU CB C 13 31.013 0.3 . 1 . . . . . 53 GLU CB . 19967 1 646 . 1 1 53 53 GLU CG C 13 36.567 0.3 . 1 . . . . . 53 GLU CG . 19967 1 647 . 1 1 53 53 GLU N N 15 118.157 0.3 . 1 . . . . . 53 GLU N . 19967 1 648 . 1 1 54 54 ASN H H 1 7.689 0.020 . 1 . . . . . 54 ASN H . 19967 1 649 . 1 1 54 54 ASN HA H 1 5.674 0.020 . 1 . . . . . 54 ASN HA . 19967 1 650 . 1 1 54 54 ASN HB2 H 1 2.951 0.020 . 2 . . . . . 54 ASN HB2 . 19967 1 651 . 1 1 54 54 ASN HB3 H 1 2.878 0.020 . 2 . . . . . 54 ASN HB3 . 19967 1 652 . 1 1 54 54 ASN HD21 H 1 7.253 0.020 . 1 . . . . . 54 ASN HD21 . 19967 1 653 . 1 1 54 54 ASN HD22 H 1 6.779 0.020 . 1 . . . . . 54 ASN HD22 . 19967 1 654 . 1 1 54 54 ASN C C 13 173.261 0.3 . 1 . . . . . 54 ASN C . 19967 1 655 . 1 1 54 54 ASN CA C 13 50.802 0.3 . 1 . . . . . 54 ASN CA . 19967 1 656 . 1 1 54 54 ASN CB C 13 41.646 0.3 . 1 . . . . . 54 ASN CB . 19967 1 657 . 1 1 54 54 ASN N N 15 115.455 0.3 . 1 . . . . . 54 ASN N . 19967 1 658 . 1 1 54 54 ASN ND2 N 15 112.831 0.3 . 1 . . . . . 54 ASN ND2 . 19967 1 659 . 1 1 55 55 GLY H H 1 7.424 0.020 . 1 . . . . . 55 GLY H . 19967 1 660 . 1 1 55 55 GLY HA2 H 1 3.833 0.020 . 2 . . . . . 55 GLY HA2 . 19967 1 661 . 1 1 55 55 GLY HA3 H 1 4.066 0.020 . 2 . . . . . 55 GLY HA3 . 19967 1 662 . 1 1 55 55 GLY C C 13 170.909 0.3 . 1 . . . . . 55 GLY C . 19967 1 663 . 1 1 55 55 GLY CA C 13 46.000 0.3 . 1 . . . . . 55 GLY CA . 19967 1 664 . 1 1 55 55 GLY N N 15 105.947 0.3 . 1 . . . . . 55 GLY N . 19967 1 665 . 1 1 56 56 SER H H 1 8.906 0.020 . 1 . . . . . 56 SER H . 19967 1 666 . 1 1 56 56 SER HA H 1 5.312 0.020 . 1 . . . . . 56 SER HA . 19967 1 667 . 1 1 56 56 SER HB2 H 1 3.800 0.020 . 2 . . . . . 56 SER HB2 . 19967 1 668 . 1 1 56 56 SER HB3 H 1 3.637 0.020 . 2 . . . . . 56 SER HB3 . 19967 1 669 . 1 1 56 56 SER C C 13 172.995 0.3 . 1 . . . . . 56 SER C . 19967 1 670 . 1 1 56 56 SER CA C 13 56.627 0.3 . 1 . . . . . 56 SER CA . 19967 1 671 . 1 1 56 56 SER CB C 13 66.854 0.3 . 1 . . . . . 56 SER CB . 19967 1 672 . 1 1 56 56 SER N N 15 113.732 0.3 . 1 . . . . . 56 SER N . 19967 1 673 . 1 1 57 57 VAL H H 1 9.084 0.020 . 1 . . . . . 57 VAL H . 19967 1 674 . 1 1 57 57 VAL HA H 1 4.519 0.020 . 1 . . . . . 57 VAL HA . 19967 1 675 . 1 1 57 57 VAL HB H 1 1.576 0.020 . 1 . . . . . 57 VAL HB . 19967 1 676 . 1 1 57 57 VAL HG11 H 1 0.164 0.020 . 1 . . . . . 57 VAL HG1 . 19967 1 677 . 1 1 57 57 VAL HG12 H 1 0.164 0.020 . 1 . . . . . 57 VAL HG1 . 19967 1 678 . 1 1 57 57 VAL HG13 H 1 0.164 0.020 . 1 . . . . . 57 VAL HG1 . 19967 1 679 . 1 1 57 57 VAL HG21 H 1 0.336 0.020 . 1 . . . . . 57 VAL HG2 . 19967 1 680 . 1 1 57 57 VAL HG22 H 1 0.336 0.020 . 1 . . . . . 57 VAL HG2 . 19967 1 681 . 1 1 57 57 VAL HG23 H 1 0.336 0.020 . 1 . . . . . 57 VAL HG2 . 19967 1 682 . 1 1 57 57 VAL C C 13 172.954 0.3 . 1 . . . . . 57 VAL C . 19967 1 683 . 1 1 57 57 VAL CA C 13 60.919 0.3 . 1 . . . . . 57 VAL CA . 19967 1 684 . 1 1 57 57 VAL CB C 13 35.590 0.3 . 1 . . . . . 57 VAL CB . 19967 1 685 . 1 1 57 57 VAL CG1 C 13 20.329 0.3 . 1 . . . . . 57 VAL CG1 . 19967 1 686 . 1 1 57 57 VAL CG2 C 13 21.834 0.3 . 1 . . . . . 57 VAL CG2 . 19967 1 687 . 1 1 57 57 VAL N N 15 118.550 0.3 . 1 . . . . . 57 VAL N . 19967 1 688 . 1 1 58 58 ARG H H 1 8.637 0.020 . 1 . . . . . 58 ARG H . 19967 1 689 . 1 1 58 58 ARG HA H 1 5.568 0.020 . 1 . . . . . 58 ARG HA . 19967 1 690 . 1 1 58 58 ARG HB2 H 1 1.863 0.020 . 2 . . . . . 58 ARG HB2 . 19967 1 691 . 1 1 58 58 ARG HB3 H 1 1.497 0.020 . 2 . . . . . 58 ARG HB3 . 19967 1 692 . 1 1 58 58 ARG HG2 H 1 1.563 0.020 . 1 . . . . . 58 ARG HG2 . 19967 1 693 . 1 1 58 58 ARG HG3 H 1 1.563 0.020 . 1 . . . . . 58 ARG HG3 . 19967 1 694 . 1 1 58 58 ARG HD2 H 1 2.595 0.020 . 2 . . . . . 58 ARG HD2 . 19967 1 695 . 1 1 58 58 ARG HD3 H 1 2.994 0.020 . 2 . . . . . 58 ARG HD3 . 19967 1 696 . 1 1 58 58 ARG C C 13 176.328 0.3 . 1 . . . . . 58 ARG C . 19967 1 697 . 1 1 58 58 ARG CA C 13 54.011 0.3 . 1 . . . . . 58 ARG CA . 19967 1 698 . 1 1 58 58 ARG CB C 13 33.548 0.3 . 1 . . . . . 58 ARG CB . 19967 1 699 . 1 1 58 58 ARG CG C 13 28.034 0.3 . 1 . . . . . 58 ARG CG . 19967 1 700 . 1 1 58 58 ARG CD C 13 43.719 0.3 . 1 . . . . . 58 ARG CD . 19967 1 701 . 1 1 58 58 ARG N N 15 124.256 0.3 . 1 . . . . . 58 ARG N . 19967 1 702 . 1 1 59 59 TYR H H 1 9.366 0.020 . 1 . . . . . 59 TYR H . 19967 1 703 . 1 1 59 59 TYR HA H 1 4.923 0.020 . 1 . . . . . 59 TYR HA . 19967 1 704 . 1 1 59 59 TYR HB2 H 1 3.554 0.020 . 2 . . . . . 59 TYR HB2 . 19967 1 705 . 1 1 59 59 TYR HB3 H 1 2.813 0.020 . 2 . . . . . 59 TYR HB3 . 19967 1 706 . 1 1 59 59 TYR HD1 H 1 6.620 0.020 . 3 . . . . . 59 TYR HD1 . 19967 1 707 . 1 1 59 59 TYR HD2 H 1 7.162 0.020 . 3 . . . . . 59 TYR HD2 . 19967 1 708 . 1 1 59 59 TYR HE1 H 1 6.675 0.020 . 3 . . . . . 59 TYR HE1 . 19967 1 709 . 1 1 59 59 TYR HE2 H 1 7.174 0.020 . 3 . . . . . 59 TYR HE2 . 19967 1 710 . 1 1 59 59 TYR C C 13 175.019 0.3 . 1 . . . . . 59 TYR C . 19967 1 711 . 1 1 59 59 TYR CA C 13 59.488 0.3 . 1 . . . . . 59 TYR CA . 19967 1 712 . 1 1 59 59 TYR CB C 13 42.139 0.3 . 1 . . . . . 59 TYR CB . 19967 1 713 . 1 1 59 59 TYR CD1 C 13 116.558 0.3 . 1 . . . . . 59 TYR CD1 . 19967 1 714 . 1 1 59 59 TYR CD2 C 13 123.531 0.3 . 1 . . . . . 59 TYR CD2 . 19967 1 715 . 1 1 59 59 TYR CE1 C 13 127.688 0.3 . 1 . . . . . 59 TYR CE1 . 19967 1 716 . 1 1 59 59 TYR CE2 C 13 128.752 0.3 . 1 . . . . . 59 TYR CE2 . 19967 1 717 . 1 1 59 59 TYR N N 15 127.807 0.3 . 1 . . . . . 59 TYR N . 19967 1 718 . 1 1 60 60 LYS H H 1 8.287 0.020 . 1 . . . . . 60 LYS H . 19967 1 719 . 1 1 60 60 LYS HA H 1 4.294 0.020 . 1 . . . . . 60 LYS HA . 19967 1 720 . 1 1 60 60 LYS HB2 H 1 1.866 0.020 . 2 . . . . . 60 LYS HB2 . 19967 1 721 . 1 1 60 60 LYS HB3 H 1 2.176 0.020 . 2 . . . . . 60 LYS HB3 . 19967 1 722 . 1 1 60 60 LYS HG2 H 1 1.496 0.020 . 1 . . . . . 60 LYS HG2 . 19967 1 723 . 1 1 60 60 LYS HG3 H 1 1.496 0.020 . 1 . . . . . 60 LYS HG3 . 19967 1 724 . 1 1 60 60 LYS HD2 H 1 1.718 0.020 . 1 . . . . . 60 LYS HD2 . 19967 1 725 . 1 1 60 60 LYS HD3 H 1 1.718 0.020 . 1 . . . . . 60 LYS HD3 . 19967 1 726 . 1 1 60 60 LYS HE2 H 1 2.958 0.020 . 1 . . . . . 60 LYS HE2 . 19967 1 727 . 1 1 60 60 LYS HE3 H 1 2.958 0.020 . 1 . . . . . 60 LYS HE3 . 19967 1 728 . 1 1 60 60 LYS C C 13 176.819 0.3 . 1 . . . . . 60 LYS C . 19967 1 729 . 1 1 60 60 LYS CA C 13 59.202 0.3 . 1 . . . . . 60 LYS CA . 19967 1 730 . 1 1 60 60 LYS CB C 13 33.689 0.3 . 1 . . . . . 60 LYS CB . 19967 1 731 . 1 1 60 60 LYS CG C 13 25.764 0.3 . 1 . . . . . 60 LYS CG . 19967 1 732 . 1 1 60 60 LYS CD C 13 29.406 0.3 . 1 . . . . . 60 LYS CD . 19967 1 733 . 1 1 60 60 LYS CE C 13 42.135 0.3 . 1 . . . . . 60 LYS CE . 19967 1 734 . 1 1 60 60 LYS N N 15 117.003 0.3 . 1 . . . . . 60 LYS N . 19967 1 735 . 1 1 61 61 THR H H 1 7.856 0.020 . 1 . . . . . 61 THR H . 19967 1 736 . 1 1 61 61 THR HA H 1 4.827 0.020 . 1 . . . . . 61 THR HA . 19967 1 737 . 1 1 61 61 THR HB H 1 4.631 0.020 . 1 . . . . . 61 THR HB . 19967 1 738 . 1 1 61 61 THR HG21 H 1 1.291 0.020 . 1 . . . . . 61 THR HG2 . 19967 1 739 . 1 1 61 61 THR HG22 H 1 1.291 0.020 . 1 . . . . . 61 THR HG2 . 19967 1 740 . 1 1 61 61 THR HG23 H 1 1.291 0.020 . 1 . . . . . 61 THR HG2 . 19967 1 741 . 1 1 61 61 THR C C 13 174.369 0.3 . 1 . . . . . 61 THR C . 19967 1 742 . 1 1 61 61 THR CA C 13 58.594 0.3 . 1 . . . . . 61 THR CA . 19967 1 743 . 1 1 61 61 THR CB C 13 71.874 0.3 . 1 . . . . . 61 THR CB . 19967 1 744 . 1 1 61 61 THR CG2 C 13 21.429 0.3 . 1 . . . . . 61 THR CG2 . 19967 1 745 . 1 1 61 61 THR N N 15 104.415 0.3 . 1 . . . . . 61 THR N . 19967 1 746 . 1 1 62 62 ALA H H 1 9.032 0.020 . 1 . . . . . 62 ALA H . 19967 1 747 . 1 1 62 62 ALA HA H 1 4.114 0.020 . 1 . . . . . 62 ALA HA . 19967 1 748 . 1 1 62 62 ALA HB1 H 1 1.502 0.020 . 1 . . . . . 62 ALA HB . 19967 1 749 . 1 1 62 62 ALA HB2 H 1 1.502 0.020 . 1 . . . . . 62 ALA HB . 19967 1 750 . 1 1 62 62 ALA HB3 H 1 1.502 0.020 . 1 . . . . . 62 ALA HB . 19967 1 751 . 1 1 62 62 ALA C C 13 180.930 0.3 . 1 . . . . . 62 ALA C . 19967 1 752 . 1 1 62 62 ALA CA C 13 54.502 0.3 . 1 . . . . . 62 ALA CA . 19967 1 753 . 1 1 62 62 ALA CB C 13 18.125 0.3 . 1 . . . . . 62 ALA CB . 19967 1 754 . 1 1 62 62 ALA N N 15 126.606 0.3 . 1 . . . . . 62 ALA N . 19967 1 755 . 1 1 63 63 GLU H H 1 8.874 0.020 . 1 . . . . . 63 GLU H . 19967 1 756 . 1 1 63 63 GLU HA H 1 4.009 0.020 . 1 . . . . . 63 GLU HA . 19967 1 757 . 1 1 63 63 GLU HB2 H 1 2.117 0.020 . 2 . . . . . 63 GLU HB2 . 19967 1 758 . 1 1 63 63 GLU HB3 H 1 1.968 0.020 . 2 . . . . . 63 GLU HB3 . 19967 1 759 . 1 1 63 63 GLU HG2 H 1 2.357 0.020 . 1 . . . . . 63 GLU HG2 . 19967 1 760 . 1 1 63 63 GLU HG3 H 1 2.357 0.020 . 1 . . . . . 63 GLU HG3 . 19967 1 761 . 1 1 63 63 GLU C C 13 179.247 0.3 . 1 . . . . . 63 GLU C . 19967 1 762 . 1 1 63 63 GLU CA C 13 59.933 0.3 . 1 . . . . . 63 GLU CA . 19967 1 763 . 1 1 63 63 GLU CB C 13 28.814 0.3 . 1 . . . . . 63 GLU CB . 19967 1 764 . 1 1 63 63 GLU CG C 13 36.588 0.3 . 1 . . . . . 63 GLU CG . 19967 1 765 . 1 1 63 63 GLU N N 15 119.319 0.3 . 1 . . . . . 63 GLU N . 19967 1 766 . 1 1 64 64 SER H H 1 7.644 0.020 . 1 . . . . . 64 SER H . 19967 1 767 . 1 1 64 64 SER HA H 1 3.995 0.020 . 1 . . . . . 64 SER HA . 19967 1 768 . 1 1 64 64 SER HB2 H 1 3.266 0.020 . 2 . . . . . 64 SER HB2 . 19967 1 769 . 1 1 64 64 SER HB3 H 1 3.734 0.020 . 2 . . . . . 64 SER HB3 . 19967 1 770 . 1 1 64 64 SER CA C 13 62.105 0.3 . 1 . . . . . 64 SER CA . 19967 1 771 . 1 1 64 64 SER CB C 13 62.911 0.3 . 1 . . . . . 64 SER CB . 19967 1 772 . 1 1 64 64 SER N N 15 116.286 0.3 . 1 . . . . . 64 SER N . 19967 1 773 . 1 1 65 65 CYS H H 1 6.796 0.020 . 1 . . . . . 65 CYS H . 19967 1 774 . 1 1 65 65 CYS HA H 1 3.462 0.020 . 1 . . . . . 65 CYS HA . 19967 1 775 . 1 1 65 65 CYS HB2 H 1 2.830 0.020 . 2 . . . . . 65 CYS HB2 . 19967 1 776 . 1 1 65 65 CYS HB3 H 1 3.279 0.020 . 2 . . . . . 65 CYS HB3 . 19967 1 777 . 1 1 65 65 CYS C C 13 175.531 0.3 . 1 . . . . . 65 CYS C . 19967 1 778 . 1 1 65 65 CYS CA C 13 61.001 0.3 . 1 . . . . . 65 CYS CA . 19967 1 779 . 1 1 65 65 CYS CB C 13 26.999 0.3 . 1 . . . . . 65 CYS CB . 19967 1 780 . 1 1 65 65 CYS N N 15 120.306 0.3 . 1 . . . . . 65 CYS N . 19967 1 781 . 1 1 66 66 LYS H H 1 7.788 0.020 . 1 . . . . . 66 LYS H . 19967 1 782 . 1 1 66 66 LYS HA H 1 3.925 0.020 . 1 . . . . . 66 LYS HA . 19967 1 783 . 1 1 66 66 LYS HB2 H 1 1.822 0.020 . 1 . . . . . 66 LYS HB2 . 19967 1 784 . 1 1 66 66 LYS HB3 H 1 1.822 0.020 . 1 . . . . . 66 LYS HB3 . 19967 1 785 . 1 1 66 66 LYS HG2 H 1 1.484 0.020 . 2 . . . . . 66 LYS HG2 . 19967 1 786 . 1 1 66 66 LYS HG3 H 1 1.368 0.020 . 2 . . . . . 66 LYS HG3 . 19967 1 787 . 1 1 66 66 LYS HD2 H 1 1.681 0.020 . 1 . . . . . 66 LYS HD2 . 19967 1 788 . 1 1 66 66 LYS HD3 H 1 1.681 0.020 . 1 . . . . . 66 LYS HD3 . 19967 1 789 . 1 1 66 66 LYS HE2 H 1 2.865 0.020 . 1 . . . . . 66 LYS HE2 . 19967 1 790 . 1 1 66 66 LYS HE3 H 1 2.865 0.020 . 1 . . . . . 66 LYS HE3 . 19967 1 791 . 1 1 66 66 LYS C C 13 178.312 0.3 . 1 . . . . . 66 LYS C . 19967 1 792 . 1 1 66 66 LYS CA C 13 59.161 0.3 . 1 . . . . . 66 LYS CA . 19967 1 793 . 1 1 66 66 LYS CB C 13 32.280 0.3 . 1 . . . . . 66 LYS CB . 19967 1 794 . 1 1 66 66 LYS CG C 13 24.670 0.3 . 1 . . . . . 66 LYS CG . 19967 1 795 . 1 1 66 66 LYS CD C 13 29.137 0.3 . 1 . . . . . 66 LYS CD . 19967 1 796 . 1 1 66 66 LYS CE C 13 42.021 0.3 . 1 . . . . . 66 LYS CE . 19967 1 797 . 1 1 66 66 LYS N N 15 117.567 0.3 . 1 . . . . . 66 LYS N . 19967 1 798 . 1 1 67 67 ARG H H 1 7.723 0.020 . 1 . . . . . 67 ARG H . 19967 1 799 . 1 1 67 67 ARG HA H 1 3.913 0.020 . 1 . . . . . 67 ARG HA . 19967 1 800 . 1 1 67 67 ARG HB2 H 1 2.031 0.020 . 1 . . . . . 67 ARG HB2 . 19967 1 801 . 1 1 67 67 ARG HB3 H 1 2.031 0.020 . 1 . . . . . 67 ARG HB3 . 19967 1 802 . 1 1 67 67 ARG HG2 H 1 1.614 0.020 . 1 . . . . . 67 ARG HG2 . 19967 1 803 . 1 1 67 67 ARG HG3 H 1 1.614 0.020 . 1 . . . . . 67 ARG HG3 . 19967 1 804 . 1 1 67 67 ARG C C 13 178.619 0.3 . 1 . . . . . 67 ARG C . 19967 1 805 . 1 1 67 67 ARG CA C 13 58.957 0.3 . 1 . . . . . 67 ARG CA . 19967 1 806 . 1 1 67 67 ARG CB C 13 29.994 0.3 . 1 . . . . . 67 ARG CB . 19967 1 807 . 1 1 67 67 ARG CG C 13 24.893 0.3 . 1 . . . . . 67 ARG CG . 19967 1 808 . 1 1 67 67 ARG CD C 13 41.968 0.3 . 1 . . . . . 67 ARG CD . 19967 1 809 . 1 1 67 67 ARG N N 15 118.049 0.3 . 1 . . . . . 67 ARG N . 19967 1 810 . 1 1 68 68 ALA H H 1 7.947 0.020 . 1 . . . . . 68 ALA H . 19967 1 811 . 1 1 68 68 ALA HA H 1 2.532 0.020 . 1 . . . . . 68 ALA HA . 19967 1 812 . 1 1 68 68 ALA HB1 H 1 1.287 0.020 . 1 . . . . . 68 ALA HB . 19967 1 813 . 1 1 68 68 ALA HB2 H 1 1.287 0.020 . 1 . . . . . 68 ALA HB . 19967 1 814 . 1 1 68 68 ALA HB3 H 1 1.287 0.020 . 1 . . . . . 68 ALA HB . 19967 1 815 . 1 1 68 68 ALA C C 13 178.496 0.3 . 1 . . . . . 68 ALA C . 19967 1 816 . 1 1 68 68 ALA CA C 13 54.976 0.3 . 1 . . . . . 68 ALA CA . 19967 1 817 . 1 1 68 68 ALA CB C 13 18.652 0.3 . 1 . . . . . 68 ALA CB . 19967 1 818 . 1 1 68 68 ALA N N 15 122.964 0.3 . 1 . . . . . 68 ALA N . 19967 1 819 . 1 1 69 69 ILE H H 1 7.866 0.020 . 1 . . . . . 69 ILE H . 19967 1 820 . 1 1 69 69 ILE HA H 1 3.161 0.020 . 1 . . . . . 69 ILE HA . 19967 1 821 . 1 1 69 69 ILE HB H 1 1.751 0.020 . 1 . . . . . 69 ILE HB . 19967 1 822 . 1 1 69 69 ILE HG12 H 1 1.679 0.020 . 2 . . . . . 69 ILE HG12 . 19967 1 823 . 1 1 69 69 ILE HG13 H 1 0.887 0.020 . 2 . . . . . 69 ILE HG13 . 19967 1 824 . 1 1 69 69 ILE HG21 H 1 0.989 0.020 . 1 . . . . . 69 ILE HG2 . 19967 1 825 . 1 1 69 69 ILE HG22 H 1 0.989 0.020 . 1 . . . . . 69 ILE HG2 . 19967 1 826 . 1 1 69 69 ILE HG23 H 1 0.989 0.020 . 1 . . . . . 69 ILE HG2 . 19967 1 827 . 1 1 69 69 ILE HD11 H 1 0.845 0.020 . 1 . . . . . 69 ILE HD1 . 19967 1 828 . 1 1 69 69 ILE HD12 H 1 0.845 0.020 . 1 . . . . . 69 ILE HD1 . 19967 1 829 . 1 1 69 69 ILE HD13 H 1 0.845 0.020 . 1 . . . . . 69 ILE HD1 . 19967 1 830 . 1 1 69 69 ILE C C 13 178.987 0.3 . 1 . . . . . 69 ILE C . 19967 1 831 . 1 1 69 69 ILE CA C 13 66.118 0.3 . 1 . . . . . 69 ILE CA . 19967 1 832 . 1 1 69 69 ILE CB C 13 37.749 0.3 . 1 . . . . . 69 ILE CB . 19967 1 833 . 1 1 69 69 ILE CG1 C 13 29.973 0.3 . 1 . . . . . 69 ILE CG1 . 19967 1 834 . 1 1 69 69 ILE CG2 C 13 16.667 0.3 . 1 . . . . . 69 ILE CG2 . 19967 1 835 . 1 1 69 69 ILE CD1 C 13 13.767 0.3 . 1 . . . . . 69 ILE CD1 . 19967 1 836 . 1 1 69 69 ILE N N 15 115.889 0.3 . 1 . . . . . 69 ILE N . 19967 1 837 . 1 1 70 70 GLU H H 1 8.086 0.020 . 1 . . . . . 70 GLU H . 19967 1 838 . 1 1 70 70 GLU HA H 1 3.929 0.020 . 1 . . . . . 70 GLU HA . 19967 1 839 . 1 1 70 70 GLU HB2 H 1 2.197 0.020 . 2 . . . . . 70 GLU HB2 . 19967 1 840 . 1 1 70 70 GLU HB3 H 1 2.092 0.020 . 2 . . . . . 70 GLU HB3 . 19967 1 841 . 1 1 70 70 GLU HG2 H 1 2.452 0.020 . 1 . . . . . 70 GLU HG2 . 19967 1 842 . 1 1 70 70 GLU HG3 H 1 2.452 0.020 . 1 . . . . . 70 GLU HG3 . 19967 1 843 . 1 1 70 70 GLU C C 13 178.728 0.3 . 1 . . . . . 70 GLU C . 19967 1 844 . 1 1 70 70 GLU CA C 13 59.775 0.3 . 1 . . . . . 70 GLU CA . 19967 1 845 . 1 1 70 70 GLU CB C 13 29.519 0.3 . 1 . . . . . 70 GLU CB . 19967 1 846 . 1 1 70 70 GLU CG C 13 36.322 0.3 . 1 . . . . . 70 GLU CG . 19967 1 847 . 1 1 70 70 GLU N N 15 121.168 0.3 . 1 . . . . . 70 GLU N . 19967 1 848 . 1 1 71 71 SER H H 1 8.159 0.020 . 1 . . . . . 71 SER H . 19967 1 849 . 1 1 71 71 SER HA H 1 4.313 0.020 . 1 . . . . . 71 SER HA . 19967 1 850 . 1 1 71 71 SER HB2 H 1 3.717 0.020 . 1 . . . . . 71 SER HB2 . 19967 1 851 . 1 1 71 71 SER HB3 H 1 3.717 0.020 . 1 . . . . . 71 SER HB3 . 19967 1 852 . 1 1 71 71 SER CA C 13 61.747 0.3 . 1 . . . . . 71 SER CA . 19967 1 853 . 1 1 71 71 SER CB C 13 63.418 0.3 . 1 . . . . . 71 SER CB . 19967 1 854 . 1 1 71 71 SER N N 15 114.537 0.3 . 1 . . . . . 71 SER N . 19967 1 855 . 1 1 72 72 LEU H H 1 8.698 0.020 . 1 . . . . . 72 LEU H . 19967 1 856 . 1 1 72 72 LEU HA H 1 3.737 0.020 . 1 . . . . . 72 LEU HA . 19967 1 857 . 1 1 72 72 LEU HB2 H 1 1.129 0.020 . 1 . . . . . 72 LEU HB2 . 19967 1 858 . 1 1 72 72 LEU HB3 H 1 1.129 0.020 . 1 . . . . . 72 LEU HB3 . 19967 1 859 . 1 1 72 72 LEU HG H 1 0.152 0.020 . 1 . . . . . 72 LEU HG . 19967 1 860 . 1 1 72 72 LEU HD11 H 1 0.550 0.020 . 1 . . . . . 72 LEU HD1 . 19967 1 861 . 1 1 72 72 LEU HD12 H 1 0.550 0.020 . 1 . . . . . 72 LEU HD1 . 19967 1 862 . 1 1 72 72 LEU HD13 H 1 0.550 0.020 . 1 . . . . . 72 LEU HD1 . 19967 1 863 . 1 1 72 72 LEU HD21 H 1 0.550 0.020 . 1 . . . . . 72 LEU HD2 . 19967 1 864 . 1 1 72 72 LEU HD22 H 1 0.550 0.020 . 1 . . . . . 72 LEU HD2 . 19967 1 865 . 1 1 72 72 LEU HD23 H 1 0.550 0.020 . 1 . . . . . 72 LEU HD2 . 19967 1 866 . 1 1 72 72 LEU C C 13 180.234 0.3 . 1 . . . . . 72 LEU C . 19967 1 867 . 1 1 72 72 LEU CA C 13 58.221 0.3 . 1 . . . . . 72 LEU CA . 19967 1 868 . 1 1 72 72 LEU CB C 13 40.196 0.3 . 1 . . . . . 72 LEU CB . 19967 1 869 . 1 1 72 72 LEU CG C 13 26.513 0.3 . 1 . . . . . 72 LEU CG . 19967 1 870 . 1 1 72 72 LEU CD1 C 13 23.238 0.3 . 1 . . . . . 72 LEU CD1 . 19967 1 871 . 1 1 72 72 LEU CD2 C 13 23.042 0.3 . 1 . . . . . 72 LEU CD2 . 19967 1 872 . 1 1 72 72 LEU N N 15 122.872 0.3 . 1 . . . . . 72 LEU N . 19967 1 873 . 1 1 73 73 THR H H 1 7.635 0.020 . 1 . . . . . 73 THR H . 19967 1 874 . 1 1 73 73 THR HA H 1 4.267 0.020 . 1 . . . . . 73 THR HA . 19967 1 875 . 1 1 73 73 THR HB H 1 4.313 0.020 . 1 . . . . . 73 THR HB . 19967 1 876 . 1 1 73 73 THR HG21 H 1 1.385 0.020 . 1 . . . . . 73 THR HG2 . 19967 1 877 . 1 1 73 73 THR HG22 H 1 1.385 0.020 . 1 . . . . . 73 THR HG2 . 19967 1 878 . 1 1 73 73 THR HG23 H 1 1.385 0.020 . 1 . . . . . 73 THR HG2 . 19967 1 879 . 1 1 73 73 THR CA C 13 66.110 0.3 . 1 . . . . . 73 THR CA . 19967 1 880 . 1 1 73 73 THR CB C 13 68.897 0.3 . 1 . . . . . 73 THR CB . 19967 1 881 . 1 1 73 73 THR CG2 C 13 21.180 0.3 . 1 . . . . . 73 THR CG2 . 19967 1 882 . 1 1 73 73 THR N N 15 113.138 0.3 . 1 . . . . . 73 THR N . 19967 1 883 . 1 1 74 74 GLU H H 1 8.158 0.020 . 1 . . . . . 74 GLU H . 19967 1 884 . 1 1 74 74 GLU HA H 1 4.132 0.020 . 1 . . . . . 74 GLU HA . 19967 1 885 . 1 1 74 74 GLU HB2 H 1 2.093 0.020 . 2 . . . . . 74 GLU HB2 . 19967 1 886 . 1 1 74 74 GLU HB3 H 1 2.236 0.020 . 2 . . . . . 74 GLU HB3 . 19967 1 887 . 1 1 74 74 GLU HG2 H 1 2.357 0.020 . 2 . . . . . 74 GLU HG2 . 19967 1 888 . 1 1 74 74 GLU HG3 H 1 2.188 0.020 . 2 . . . . . 74 GLU HG3 . 19967 1 889 . 1 1 74 74 GLU C C 13 178.537 0.3 . 1 . . . . . 74 GLU C . 19967 1 890 . 1 1 74 74 GLU CA C 13 59.570 0.3 . 1 . . . . . 74 GLU CA . 19967 1 891 . 1 1 74 74 GLU CB C 13 29.675 0.3 . 1 . . . . . 74 GLU CB . 19967 1 892 . 1 1 74 74 GLU CG C 13 36.310 0.3 . 1 . . . . . 74 GLU CG . 19967 1 893 . 1 1 74 74 GLU N N 15 122.845 0.3 . 1 . . . . . 74 GLU N . 19967 1 894 . 1 1 75 75 THR H H 1 7.947 0.020 . 1 . . . . . 75 THR H . 19967 1 895 . 1 1 75 75 THR HA H 1 4.222 0.020 . 1 . . . . . 75 THR HA . 19967 1 896 . 1 1 75 75 THR HB H 1 4.327 0.020 . 1 . . . . . 75 THR HB . 19967 1 897 . 1 1 75 75 THR HG21 H 1 1.384 0.020 . 1 . . . . . 75 THR HG2 . 19967 1 898 . 1 1 75 75 THR HG22 H 1 1.384 0.020 . 1 . . . . . 75 THR HG2 . 19967 1 899 . 1 1 75 75 THR HG23 H 1 1.384 0.020 . 1 . . . . . 75 THR HG2 . 19967 1 900 . 1 1 75 75 THR C C 13 174.876 0.3 . 1 . . . . . 75 THR C . 19967 1 901 . 1 1 75 75 THR CA C 13 62.513 0.3 . 1 . . . . . 75 THR CA . 19967 1 902 . 1 1 75 75 THR CB C 13 70.676 0.3 . 1 . . . . . 75 THR CB . 19967 1 903 . 1 1 75 75 THR CG2 C 13 21.049 0.3 . 1 . . . . . 75 THR CG2 . 19967 1 904 . 1 1 75 75 THR N N 15 105.975 0.3 . 1 . . . . . 75 THR N . 19967 1 905 . 1 1 76 76 LYS H H 1 7.606 0.020 . 1 . . . . . 76 LYS H . 19967 1 906 . 1 1 76 76 LYS HA H 1 3.936 0.020 . 1 . . . . . 76 LYS HA . 19967 1 907 . 1 1 76 76 LYS HB2 H 1 1.901 0.020 . 2 . . . . . 76 LYS HB2 . 19967 1 908 . 1 1 76 76 LYS HB3 H 1 1.638 0.020 . 2 . . . . . 76 LYS HB3 . 19967 1 909 . 1 1 76 76 LYS HG2 H 1 1.451 0.020 . 1 . . . . . 76 LYS HG2 . 19967 1 910 . 1 1 76 76 LYS HG3 H 1 1.451 0.020 . 1 . . . . . 76 LYS HG3 . 19967 1 911 . 1 1 76 76 LYS HE2 H 1 2.926 0.020 . 2 . . . . . 76 LYS HE2 . 19967 1 912 . 1 1 76 76 LYS HE3 H 1 3.066 0.020 . 2 . . . . . 76 LYS HE3 . 19967 1 913 . 1 1 76 76 LYS C C 13 174.835 0.3 . 1 . . . . . 76 LYS C . 19967 1 914 . 1 1 76 76 LYS CA C 13 56.791 0.3 . 1 . . . . . 76 LYS CA . 19967 1 915 . 1 1 76 76 LYS CB C 13 29.347 0.3 . 1 . . . . . 76 LYS CB . 19967 1 916 . 1 1 76 76 LYS CG C 13 24.619 0.3 . 1 . . . . . 76 LYS CG . 19967 1 917 . 1 1 76 76 LYS CE C 13 42.241 0.3 . 1 . . . . . 76 LYS CE . 19967 1 918 . 1 1 76 76 LYS N N 15 118.373 0.3 . 1 . . . . . 76 LYS N . 19967 1 919 . 1 1 77 77 LYS H H 1 6.917 0.020 . 1 . . . . . 77 LYS H . 19967 1 920 . 1 1 77 77 LYS HA H 1 3.937 0.020 . 1 . . . . . 77 LYS HA . 19967 1 921 . 1 1 77 77 LYS HB2 H 1 1.662 0.020 . 1 . . . . . 77 LYS HB2 . 19967 1 922 . 1 1 77 77 LYS HB3 H 1 1.662 0.020 . 1 . . . . . 77 LYS HB3 . 19967 1 923 . 1 1 77 77 LYS HG2 H 1 1.319 0.020 . 2 . . . . . 77 LYS HG2 . 19967 1 924 . 1 1 77 77 LYS HG3 H 1 1.244 0.020 . 2 . . . . . 77 LYS HG3 . 19967 1 925 . 1 1 77 77 LYS HD2 H 1 1.503 0.020 . 2 . . . . . 77 LYS HD2 . 19967 1 926 . 1 1 77 77 LYS HD3 H 1 1.624 0.020 . 2 . . . . . 77 LYS HD3 . 19967 1 927 . 1 1 77 77 LYS HE2 H 1 2.824 0.020 . 2 . . . . . 77 LYS HE2 . 19967 1 928 . 1 1 77 77 LYS HE3 H 1 2.923 0.020 . 2 . . . . . 77 LYS HE3 . 19967 1 929 . 1 1 77 77 LYS C C 13 176.676 0.3 . 1 . . . . . 77 LYS C . 19967 1 930 . 1 1 77 77 LYS CA C 13 57.077 0.3 . 1 . . . . . 77 LYS CA . 19967 1 931 . 1 1 77 77 LYS CB C 13 33.055 0.3 . 1 . . . . . 77 LYS CB . 19967 1 932 . 1 1 77 77 LYS CG C 13 23.830 0.3 . 1 . . . . . 77 LYS CG . 19967 1 933 . 1 1 77 77 LYS CD C 13 28.884 0.3 . 1 . . . . . 77 LYS CD . 19967 1 934 . 1 1 77 77 LYS CE C 13 41.944 0.3 . 1 . . . . . 77 LYS CE . 19967 1 935 . 1 1 77 77 LYS N N 15 117.125 0.3 . 1 . . . . . 77 LYS N . 19967 1 936 . 1 1 78 78 GLU H H 1 8.426 0.020 . 1 . . . . . 78 GLU H . 19967 1 937 . 1 1 78 78 GLU HA H 1 4.340 0.020 . 1 . . . . . 78 GLU HA . 19967 1 938 . 1 1 78 78 GLU HB2 H 1 1.491 0.020 . 1 . . . . . 78 GLU HB2 . 19967 1 939 . 1 1 78 78 GLU HB3 H 1 1.491 0.020 . 1 . . . . . 78 GLU HB3 . 19967 1 940 . 1 1 78 78 GLU HG2 H 1 1.921 0.020 . 2 . . . . . 78 GLU HG2 . 19967 1 941 . 1 1 78 78 GLU HG3 H 1 2.328 0.020 . 2 . . . . . 78 GLU HG3 . 19967 1 942 . 1 1 78 78 GLU C C 13 176.737 0.3 . 1 . . . . . 78 GLU C . 19967 1 943 . 1 1 78 78 GLU CA C 13 55.401 0.3 . 1 . . . . . 78 GLU CA . 19967 1 944 . 1 1 78 78 GLU CB C 13 31.154 0.3 . 1 . . . . . 78 GLU CB . 19967 1 945 . 1 1 78 78 GLU CG C 13 36.364 0.3 . 1 . . . . . 78 GLU CG . 19967 1 946 . 1 1 78 78 GLU N N 15 124.743 0.3 . 1 . . . . . 78 GLU N . 19967 1 947 . 1 1 79 79 ILE H H 1 8.944 0.020 . 1 . . . . . 79 ILE H . 19967 1 948 . 1 1 79 79 ILE HA H 1 4.168 0.020 . 1 . . . . . 79 ILE HA . 19967 1 949 . 1 1 79 79 ILE HB H 1 1.608 0.020 . 1 . . . . . 79 ILE HB . 19967 1 950 . 1 1 79 79 ILE HG12 H 1 0.770 0.020 . 2 . . . . . 79 ILE HG12 . 19967 1 951 . 1 1 79 79 ILE HG13 H 1 1.486 0.020 . 2 . . . . . 79 ILE HG13 . 19967 1 952 . 1 1 79 79 ILE HG21 H 1 0.506 0.020 . 1 . . . . . 79 ILE HG2 . 19967 1 953 . 1 1 79 79 ILE HG22 H 1 0.506 0.020 . 1 . . . . . 79 ILE HG2 . 19967 1 954 . 1 1 79 79 ILE HG23 H 1 0.506 0.020 . 1 . . . . . 79 ILE HG2 . 19967 1 955 . 1 1 79 79 ILE HD11 H 1 0.604 0.020 . 1 . . . . . 79 ILE HD1 . 19967 1 956 . 1 1 79 79 ILE HD12 H 1 0.604 0.020 . 1 . . . . . 79 ILE HD1 . 19967 1 957 . 1 1 79 79 ILE HD13 H 1 0.604 0.020 . 1 . . . . . 79 ILE HD1 . 19967 1 958 . 1 1 79 79 ILE C C 13 176.778 0.3 . 1 . . . . . 79 ILE C . 19967 1 959 . 1 1 79 79 ILE CA C 13 61.655 0.3 . 1 . . . . . 79 ILE CA . 19967 1 960 . 1 1 79 79 ILE CB C 13 38.908 0.3 . 1 . . . . . 79 ILE CB . 19967 1 961 . 1 1 79 79 ILE CG1 C 13 26.098 0.3 . 1 . . . . . 79 ILE CG1 . 19967 1 962 . 1 1 79 79 ILE CG2 C 13 17.346 0.3 . 1 . . . . . 79 ILE CG2 . 19967 1 963 . 1 1 79 79 ILE CD1 C 13 12.780 0.3 . 1 . . . . . 79 ILE CD1 . 19967 1 964 . 1 1 79 79 ILE N N 15 121.499 0.3 . 1 . . . . . 79 ILE N . 19967 1 965 . 1 1 80 80 GLY H H 1 9.362 0.020 . 1 . . . . . 80 GLY H . 19967 1 966 . 1 1 80 80 GLY HA2 H 1 3.529 0.020 . 2 . . . . . 80 GLY HA2 . 19967 1 967 . 1 1 80 80 GLY HA3 H 1 3.834 0.020 . 2 . . . . . 80 GLY HA3 . 19967 1 968 . 1 1 80 80 GLY C C 13 175.960 0.3 . 1 . . . . . 80 GLY C . 19967 1 969 . 1 1 80 80 GLY CA C 13 46.776 0.3 . 1 . . . . . 80 GLY CA . 19967 1 970 . 1 1 80 80 GLY N N 15 118.402 0.3 . 1 . . . . . 80 GLY N . 19967 1 971 . 1 1 81 81 GLY H H 1 8.575 0.020 . 1 . . . . . 81 GLY H . 19967 1 972 . 1 1 81 81 GLY HA2 H 1 4.141 0.020 . 2 . . . . . 81 GLY HA2 . 19967 1 973 . 1 1 81 81 GLY HA3 H 1 3.704 0.020 . 2 . . . . . 81 GLY HA3 . 19967 1 974 . 1 1 81 81 GLY C C 13 173.117 0.3 . 1 . . . . . 81 GLY C . 19967 1 975 . 1 1 81 81 GLY CA C 13 45.168 0.3 . 1 . . . . . 81 GLY CA . 19967 1 976 . 1 1 81 81 GLY N N 15 104.499 0.3 . 1 . . . . . 81 GLY N . 19967 1 977 . 1 1 82 82 GLN H H 1 6.978 0.020 . 1 . . . . . 82 GLN H . 19967 1 978 . 1 1 82 82 GLN HA H 1 4.718 0.020 . 1 . . . . . 82 GLN HA . 19967 1 979 . 1 1 82 82 GLN HB2 H 1 1.811 0.020 . 2 . . . . . 82 GLN HB2 . 19967 1 980 . 1 1 82 82 GLN HB3 H 1 2.208 0.020 . 2 . . . . . 82 GLN HB3 . 19967 1 981 . 1 1 82 82 GLN HG2 H 1 2.227 0.020 . 1 . . . . . 82 GLN HG2 . 19967 1 982 . 1 1 82 82 GLN HG3 H 1 2.227 0.020 . 1 . . . . . 82 GLN HG3 . 19967 1 983 . 1 1 82 82 GLN HE21 H 1 7.151 0.020 . 1 . . . . . 82 GLN HE21 . 19967 1 984 . 1 1 82 82 GLN HE22 H 1 6.911 0.020 . 1 . . . . . 82 GLN HE22 . 19967 1 985 . 1 1 82 82 GLN C C 13 173.813 0.3 . 1 . . . . . 82 GLN C . 19967 1 986 . 1 1 82 82 GLN CA C 13 53.112 0.3 . 1 . . . . . 82 GLN CA . 19967 1 987 . 1 1 82 82 GLN CB C 13 32.632 0.3 . 1 . . . . . 82 GLN CB . 19967 1 988 . 1 1 82 82 GLN CG C 13 33.457 0.3 . 1 . . . . . 82 GLN CG . 19967 1 989 . 1 1 82 82 GLN N N 15 115.488 0.3 . 1 . . . . . 82 GLN N . 19967 1 990 . 1 1 82 82 GLN NE2 N 15 111.672 0.3 . 1 . . . . . 82 GLN NE2 . 19967 1 991 . 1 1 83 83 ILE H H 1 8.884 0.020 . 1 . . . . . 83 ILE H . 19967 1 992 . 1 1 83 83 ILE HA H 1 4.603 0.020 . 1 . . . . . 83 ILE HA . 19967 1 993 . 1 1 83 83 ILE HB H 1 1.821 0.020 . 1 . . . . . 83 ILE HB . 19967 1 994 . 1 1 83 83 ILE HG12 H 1 1.588 0.020 . 2 . . . . . 83 ILE HG12 . 19967 1 995 . 1 1 83 83 ILE HG13 H 1 0.920 0.020 . 2 . . . . . 83 ILE HG13 . 19967 1 996 . 1 1 83 83 ILE HG21 H 1 0.924 0.020 . 1 . . . . . 83 ILE HG2 . 19967 1 997 . 1 1 83 83 ILE HG22 H 1 0.924 0.020 . 1 . . . . . 83 ILE HG2 . 19967 1 998 . 1 1 83 83 ILE HG23 H 1 0.924 0.020 . 1 . . . . . 83 ILE HG2 . 19967 1 999 . 1 1 83 83 ILE HD11 H 1 0.914 0.020 . 1 . . . . . 83 ILE HD1 . 19967 1 1000 . 1 1 83 83 ILE HD12 H 1 0.914 0.020 . 1 . . . . . 83 ILE HD1 . 19967 1 1001 . 1 1 83 83 ILE HD13 H 1 0.914 0.020 . 1 . . . . . 83 ILE HD1 . 19967 1 1002 . 1 1 83 83 ILE C C 13 174.263 0.3 . 1 . . . . . 83 ILE C . 19967 1 1003 . 1 1 83 83 ILE CA C 13 58.998 0.3 . 1 . . . . . 83 ILE CA . 19967 1 1004 . 1 1 83 83 ILE CB C 13 37.969 0.3 . 1 . . . . . 83 ILE CB . 19967 1 1005 . 1 1 83 83 ILE CG1 C 13 27.772 0.3 . 1 . . . . . 83 ILE CG1 . 19967 1 1006 . 1 1 83 83 ILE CG2 C 13 17.363 0.3 . 1 . . . . . 83 ILE CG2 . 19967 1 1007 . 1 1 83 83 ILE CD1 C 13 13.688 0.3 . 1 . . . . . 83 ILE CD1 . 19967 1 1008 . 1 1 83 83 ILE N N 15 124.094 0.3 . 1 . . . . . 83 ILE N . 19967 1 1009 . 1 1 84 84 PRO HA H 1 4.758 0.020 . 1 . . . . . 84 PRO HA . 19967 1 1010 . 1 1 84 84 PRO HB2 H 1 1.347 0.020 . 1 . . . . . 84 PRO HB2 . 19967 1 1011 . 1 1 84 84 PRO HB3 H 1 1.347 0.020 . 1 . . . . . 84 PRO HB3 . 19967 1 1012 . 1 1 84 84 PRO HG2 H 1 1.465 0.020 . 2 . . . . . 84 PRO HG2 . 19967 1 1013 . 1 1 84 84 PRO HG3 H 1 1.848 0.020 . 2 . . . . . 84 PRO HG3 . 19967 1 1014 . 1 1 84 84 PRO HD2 H 1 4.477 0.020 . 2 . . . . . 84 PRO HD2 . 19967 1 1015 . 1 1 84 84 PRO HD3 H 1 3.726 0.020 . 2 . . . . . 84 PRO HD3 . 19967 1 1016 . 1 1 84 84 PRO C C 13 174.590 0.3 . 1 . . . . . 84 PRO C . 19967 1 1017 . 1 1 84 84 PRO CA C 13 61.859 0.3 . 1 . . . . . 84 PRO CA . 19967 1 1018 . 1 1 84 84 PRO CB C 13 32.844 0.3 . 1 . . . . . 84 PRO CB . 19967 1 1019 . 1 1 84 84 PRO CG C 13 27.552 0.3 . 1 . . . . . 84 PRO CG . 19967 1 1020 . 1 1 84 84 PRO CD C 13 51.439 0.3 . 1 . . . . . 84 PRO CD . 19967 1 1021 . 1 1 85 85 THR H H 1 8.346 0.020 . 1 . . . . . 85 THR H . 19967 1 1022 . 1 1 85 85 THR HA H 1 4.356 0.020 . 1 . . . . . 85 THR HA . 19967 1 1023 . 1 1 85 85 THR HB H 1 4.066 0.020 . 1 . . . . . 85 THR HB . 19967 1 1024 . 1 1 85 85 THR HG21 H 1 1.213 0.020 . 1 . . . . . 85 THR HG2 . 19967 1 1025 . 1 1 85 85 THR HG22 H 1 1.213 0.020 . 1 . . . . . 85 THR HG2 . 19967 1 1026 . 1 1 85 85 THR HG23 H 1 1.213 0.020 . 1 . . . . . 85 THR HG2 . 19967 1 1027 . 1 1 85 85 THR C C 13 174.058 0.3 . 1 . . . . . 85 THR C . 19967 1 1028 . 1 1 85 85 THR CA C 13 60.715 0.3 . 1 . . . . . 85 THR CA . 19967 1 1029 . 1 1 85 85 THR CB C 13 70.939 0.3 . 1 . . . . . 85 THR CB . 19967 1 1030 . 1 1 85 85 THR CG2 C 13 21.414 0.3 . 1 . . . . . 85 THR CG2 . 19967 1 1031 . 1 1 85 85 THR N N 15 108.415 0.3 . 1 . . . . . 85 THR N . 19967 1 1032 . 1 1 86 86 TYR H H 1 8.514 0.020 . 1 . . . . . 86 TYR H . 19967 1 1033 . 1 1 86 86 TYR HA H 1 5.644 0.020 . 1 . . . . . 86 TYR HA . 19967 1 1034 . 1 1 86 86 TYR HB2 H 1 2.668 0.020 . 2 . . . . . 86 TYR HB2 . 19967 1 1035 . 1 1 86 86 TYR HB3 H 1 2.987 0.020 . 2 . . . . . 86 TYR HB3 . 19967 1 1036 . 1 1 86 86 TYR HD1 H 1 7.054 0.020 . 3 . . . . . 86 TYR HD1 . 19967 1 1037 . 1 1 86 86 TYR HD2 H 1 6.713 0.020 . 3 . . . . . 86 TYR HD2 . 19967 1 1038 . 1 1 86 86 TYR HE1 H 1 6.479 0.020 . 3 . . . . . 86 TYR HE1 . 19967 1 1039 . 1 1 86 86 TYR HE2 H 1 6.983 0.020 . 3 . . . . . 86 TYR HE2 . 19967 1 1040 . 1 1 86 86 TYR C C 13 175.715 0.3 . 1 . . . . . 86 TYR C . 19967 1 1041 . 1 1 86 86 TYR CA C 13 56.709 0.3 . 1 . . . . . 86 TYR CA . 19967 1 1042 . 1 1 86 86 TYR CB C 13 43.124 0.3 . 1 . . . . . 86 TYR CB . 19967 1 1043 . 1 1 86 86 TYR CD1 C 13 130.513 0.3 . 1 . . . . . 86 TYR CD1 . 19967 1 1044 . 1 1 86 86 TYR CD2 C 13 131.202 0.3 . 1 . . . . . 86 TYR CD2 . 19967 1 1045 . 1 1 86 86 TYR CE1 C 13 116.838 0.3 . 1 . . . . . 86 TYR CE1 . 19967 1 1046 . 1 1 86 86 TYR CE2 C 13 130.959 0.3 . 1 . . . . . 86 TYR CE2 . 19967 1 1047 . 1 1 86 86 TYR N N 15 120.418 0.3 . 1 . . . . . 86 TYR N . 19967 1 1048 . 1 1 87 87 ASN H H 1 8.952 0.020 . 1 . . . . . 87 ASN H . 19967 1 1049 . 1 1 87 87 ASN HA H 1 4.915 0.020 . 1 . . . . . 87 ASN HA . 19967 1 1050 . 1 1 87 87 ASN HB2 H 1 2.620 0.020 . 2 . . . . . 87 ASN HB2 . 19967 1 1051 . 1 1 87 87 ASN HB3 H 1 2.696 0.020 . 2 . . . . . 87 ASN HB3 . 19967 1 1052 . 1 1 87 87 ASN HD21 H 1 7.239 0.020 . 1 . . . . . 87 ASN HD21 . 19967 1 1053 . 1 1 87 87 ASN HD22 H 1 6.754 0.020 . 1 . . . . . 87 ASN HD22 . 19967 1 1054 . 1 1 87 87 ASN C C 13 172.668 0.3 . 1 . . . . . 87 ASN C . 19967 1 1055 . 1 1 87 87 ASN CA C 13 53.398 0.3 . 1 . . . . . 87 ASN CA . 19967 1 1056 . 1 1 87 87 ASN CB C 13 41.998 0.3 . 1 . . . . . 87 ASN CB . 19967 1 1057 . 1 1 87 87 ASN N N 15 117.190 0.3 . 1 . . . . . 87 ASN N . 19967 1 1058 . 1 1 87 87 ASN ND2 N 15 112.282 0.3 . 1 . . . . . 87 ASN ND2 . 19967 1 1059 . 1 1 88 88 LEU H H 1 8.833 0.020 . 1 . . . . . 88 LEU H . 19967 1 1060 . 1 1 88 88 LEU HA H 1 4.671 0.020 . 1 . . . . . 88 LEU HA . 19967 1 1061 . 1 1 88 88 LEU HB2 H 1 1.493 0.020 . 2 . . . . . 88 LEU HB2 . 19967 1 1062 . 1 1 88 88 LEU HB3 H 1 1.706 0.020 . 2 . . . . . 88 LEU HB3 . 19967 1 1063 . 1 1 88 88 LEU HG H 1 1.663 0.020 . 1 . . . . . 88 LEU HG . 19967 1 1064 . 1 1 88 88 LEU HD11 H 1 0.899 0.020 . 1 . . . . . 88 LEU HD1 . 19967 1 1065 . 1 1 88 88 LEU HD12 H 1 0.899 0.020 . 1 . . . . . 88 LEU HD1 . 19967 1 1066 . 1 1 88 88 LEU HD13 H 1 0.899 0.020 . 1 . . . . . 88 LEU HD1 . 19967 1 1067 . 1 1 88 88 LEU HD21 H 1 0.825 0.020 . 1 . . . . . 88 LEU HD2 . 19967 1 1068 . 1 1 88 88 LEU HD22 H 1 0.825 0.020 . 1 . . . . . 88 LEU HD2 . 19967 1 1069 . 1 1 88 88 LEU HD23 H 1 0.825 0.020 . 1 . . . . . 88 LEU HD2 . 19967 1 1070 . 1 1 88 88 LEU C C 13 177.576 0.3 . 1 . . . . . 88 LEU C . 19967 1 1071 . 1 1 88 88 LEU CA C 13 54.172 0.3 . 1 . . . . . 88 LEU CA . 19967 1 1072 . 1 1 88 88 LEU CB C 13 42.843 0.3 . 1 . . . . . 88 LEU CB . 19967 1 1073 . 1 1 88 88 LEU CG C 13 27.253 0.3 . 1 . . . . . 88 LEU CG . 19967 1 1074 . 1 1 88 88 LEU CD1 C 13 25.186 0.3 . 1 . . . . . 88 LEU CD1 . 19967 1 1075 . 1 1 88 88 LEU CD2 C 13 23.088 0.3 . 1 . . . . . 88 LEU CD2 . 19967 1 1076 . 1 1 88 88 LEU N N 15 125.362 0.3 . 1 . . . . . 88 LEU N . 19967 1 1077 . 1 1 89 89 LEU H H 1 8.273 0.020 . 1 . . . . . 89 LEU H . 19967 1 1078 . 1 1 89 89 LEU HA H 1 4.443 0.020 . 1 . . . . . 89 LEU HA . 19967 1 1079 . 1 1 89 89 LEU HB2 H 1 1.664 0.020 . 2 . . . . . 89 LEU HB2 . 19967 1 1080 . 1 1 89 89 LEU HB3 H 1 1.507 0.020 . 2 . . . . . 89 LEU HB3 . 19967 1 1081 . 1 1 89 89 LEU HG H 1 1.669 0.020 . 1 . . . . . 89 LEU HG . 19967 1 1082 . 1 1 89 89 LEU HD11 H 1 0.880 0.020 . 1 . . . . . 89 LEU HD1 . 19967 1 1083 . 1 1 89 89 LEU HD12 H 1 0.880 0.020 . 1 . . . . . 89 LEU HD1 . 19967 1 1084 . 1 1 89 89 LEU HD13 H 1 0.880 0.020 . 1 . . . . . 89 LEU HD1 . 19967 1 1085 . 1 1 89 89 LEU HD21 H 1 0.820 0.020 . 1 . . . . . 89 LEU HD2 . 19967 1 1086 . 1 1 89 89 LEU HD22 H 1 0.820 0.020 . 1 . . . . . 89 LEU HD2 . 19967 1 1087 . 1 1 89 89 LEU HD23 H 1 0.820 0.020 . 1 . . . . . 89 LEU HD2 . 19967 1 1088 . 1 1 89 89 LEU C C 13 175.756 0.3 . 1 . . . . . 89 LEU C . 19967 1 1089 . 1 1 89 89 LEU CA C 13 55.605 0.3 . 1 . . . . . 89 LEU CA . 19967 1 1090 . 1 1 89 89 LEU CB C 13 42.697 0.3 . 1 . . . . . 89 LEU CB . 19967 1 1091 . 1 1 89 89 LEU CG C 13 26.783 0.3 . 1 . . . . . 89 LEU CG . 19967 1 1092 . 1 1 89 89 LEU CD1 C 13 25.172 0.3 . 1 . . . . . 89 LEU CD1 . 19967 1 1093 . 1 1 89 89 LEU CD2 C 13 23.060 0.3 . 1 . . . . . 89 LEU CD2 . 19967 1 1094 . 1 1 89 89 LEU N N 15 125.921 0.3 . 1 . . . . . 89 LEU N . 19967 1 1095 . 1 1 90 90 GLU H H 1 8.573 0.020 . 1 . . . . . 90 GLU H . 19967 1 1096 . 1 1 90 90 GLU HA H 1 4.762 0.020 . 1 . . . . . 90 GLU HA . 19967 1 1097 . 1 1 90 90 GLU HB2 H 1 2.046 0.020 . 2 . . . . . 90 GLU HB2 . 19967 1 1098 . 1 1 90 90 GLU HB3 H 1 2.110 0.020 . 2 . . . . . 90 GLU HB3 . 19967 1 1099 . 1 1 90 90 GLU HG2 H 1 2.158 0.020 . 1 . . . . . 90 GLU HG2 . 19967 1 1100 . 1 1 90 90 GLU HG3 H 1 2.158 0.020 . 1 . . . . . 90 GLU HG3 . 19967 1 1101 . 1 1 90 90 GLU C C 13 176.884 0.3 . 1 . . . . . 90 GLU C . 19967 1 1102 . 1 1 90 90 GLU CA C 13 54.788 0.3 . 1 . . . . . 90 GLU CA . 19967 1 1103 . 1 1 90 90 GLU CB C 13 33.618 0.3 . 1 . . . . . 90 GLU CB . 19967 1 1104 . 1 1 90 90 GLU CG C 13 35.896 0.3 . 1 . . . . . 90 GLU CG . 19967 1 1105 . 1 1 90 90 GLU N N 15 120.482 0.3 . 1 . . . . . 90 GLU N . 19967 1 1106 . 1 1 91 91 GLY H H 1 8.770 0.020 . 1 . . . . . 91 GLY H . 19967 1 1107 . 1 1 91 91 GLY HA2 H 1 3.947 0.020 . 2 . . . . . 91 GLY HA2 . 19967 1 1108 . 1 1 91 91 GLY HA3 H 1 4.050 0.020 . 2 . . . . . 91 GLY HA3 . 19967 1 1109 . 1 1 91 91 GLY C C 13 176.287 0.3 . 1 . . . . . 91 GLY C . 19967 1 1110 . 1 1 91 91 GLY CA C 13 46.531 0.3 . 1 . . . . . 91 GLY CA . 19967 1 1111 . 1 1 91 91 GLY N N 15 108.229 0.3 . 1 . . . . . 91 GLY N . 19967 1 1112 . 1 1 92 92 GLU H H 1 9.102 0.020 . 1 . . . . . 92 GLU H . 19967 1 1113 . 1 1 92 92 GLU HA H 1 3.877 0.020 . 1 . . . . . 92 GLU HA . 19967 1 1114 . 1 1 92 92 GLU HB2 H 1 2.099 0.020 . 1 . . . . . 92 GLU HB2 . 19967 1 1115 . 1 1 92 92 GLU HB3 H 1 2.099 0.020 . 1 . . . . . 92 GLU HB3 . 19967 1 1116 . 1 1 92 92 GLU HG2 H 1 2.377 0.020 . 1 . . . . . 92 GLU HG2 . 19967 1 1117 . 1 1 92 92 GLU HG3 H 1 2.377 0.020 . 1 . . . . . 92 GLU HG3 . 19967 1 1118 . 1 1 92 92 GLU CA C 13 59.039 0.3 . 1 . . . . . 92 GLU CA . 19967 1 1119 . 1 1 92 92 GLU CB C 13 29.534 0.3 . 1 . . . . . 92 GLU CB . 19967 1 1120 . 1 1 92 92 GLU CG C 13 37.125 0.3 . 1 . . . . . 92 GLU CG . 19967 1 1121 . 1 1 92 92 GLU N N 15 125.939 0.3 . 1 . . . . . 92 GLU N . 19967 1 1122 . 1 1 93 93 GLU H H 1 8.640 0.020 . 1 . . . . . 93 GLU H . 19967 1 1123 . 1 1 93 93 GLU HA H 1 3.920 0.020 . 1 . . . . . 93 GLU HA . 19967 1 1124 . 1 1 93 93 GLU HB2 H 1 2.234 0.020 . 2 . . . . . 93 GLU HB2 . 19967 1 1125 . 1 1 93 93 GLU HB3 H 1 1.966 0.020 . 2 . . . . . 93 GLU HB3 . 19967 1 1126 . 1 1 93 93 GLU HG2 H 1 2.444 0.020 . 2 . . . . . 93 GLU HG2 . 19967 1 1127 . 1 1 93 93 GLU HG3 H 1 2.369 0.020 . 2 . . . . . 93 GLU HG3 . 19967 1 1128 . 1 1 93 93 GLU C C 13 179.150 0.3 . 1 . . . . . 93 GLU C . 19967 1 1129 . 1 1 93 93 GLU CA C 13 59.815 0.3 . 1 . . . . . 93 GLU CA . 19967 1 1130 . 1 1 93 93 GLU CB C 13 29.292 0.3 . 1 . . . . . 93 GLU CB . 19967 1 1131 . 1 1 93 93 GLU CG C 13 36.575 0.3 . 1 . . . . . 93 GLU CG . 19967 1 1132 . 1 1 93 93 GLU N N 15 118.908 0.3 . 1 . . . . . 93 GLU N . 19967 1 1133 . 1 1 94 94 GLU H H 1 7.273 0.020 . 1 . . . . . 94 GLU H . 19967 1 1134 . 1 1 94 94 GLU HA H 1 4.023 0.020 . 1 . . . . . 94 GLU HA . 19967 1 1135 . 1 1 94 94 GLU HB2 H 1 2.229 0.020 . 1 . . . . . 94 GLU HB2 . 19967 1 1136 . 1 1 94 94 GLU HB3 H 1 2.229 0.020 . 1 . . . . . 94 GLU HB3 . 19967 1 1137 . 1 1 94 94 GLU HG2 H 1 2.350 0.020 . 1 . . . . . 94 GLU HG2 . 19967 1 1138 . 1 1 94 94 GLU HG3 H 1 2.350 0.020 . 1 . . . . . 94 GLU HG3 . 19967 1 1139 . 1 1 94 94 GLU CA C 13 59.284 0.3 . 1 . . . . . 94 GLU CA . 19967 1 1140 . 1 1 94 94 GLU CB C 13 29.605 0.3 . 1 . . . . . 94 GLU CB . 19967 1 1141 . 1 1 94 94 GLU CG C 13 35.820 0.3 . 1 . . . . . 94 GLU CG . 19967 1 1142 . 1 1 94 94 GLU N N 15 120.762 0.3 . 1 . . . . . 94 GLU N . 19967 1 1143 . 1 1 95 95 LYS H H 1 7.789 0.020 . 1 . . . . . 95 LYS H . 19967 1 1144 . 1 1 95 95 LYS HA H 1 4.032 0.020 . 1 . . . . . 95 LYS HA . 19967 1 1145 . 1 1 95 95 LYS HB2 H 1 1.977 0.020 . 2 . . . . . 95 LYS HB2 . 19967 1 1146 . 1 1 95 95 LYS HB3 H 1 1.912 0.020 . 2 . . . . . 95 LYS HB3 . 19967 1 1147 . 1 1 95 95 LYS HG2 H 1 1.578 0.020 . 2 . . . . . 95 LYS HG2 . 19967 1 1148 . 1 1 95 95 LYS HG3 H 1 1.379 0.020 . 2 . . . . . 95 LYS HG3 . 19967 1 1149 . 1 1 95 95 LYS HD2 H 1 1.669 0.020 . 1 . . . . . 95 LYS HD2 . 19967 1 1150 . 1 1 95 95 LYS HD3 H 1 1.669 0.020 . 1 . . . . . 95 LYS HD3 . 19967 1 1151 . 1 1 95 95 LYS HE2 H 1 2.939 0.020 . 2 . . . . . 95 LYS HE2 . 19967 1 1152 . 1 1 95 95 LYS HE3 H 1 2.838 0.020 . 2 . . . . . 95 LYS HE3 . 19967 1 1153 . 1 1 95 95 LYS C C 13 179.130 0.3 . 1 . . . . . 95 LYS C . 19967 1 1154 . 1 1 95 95 LYS CA C 13 60.020 0.3 . 1 . . . . . 95 LYS CA . 19967 1 1155 . 1 1 95 95 LYS CB C 13 32.351 0.3 . 1 . . . . . 95 LYS CB . 19967 1 1156 . 1 1 95 95 LYS CG C 13 25.067 0.3 . 1 . . . . . 95 LYS CG . 19967 1 1157 . 1 1 95 95 LYS CD C 13 29.188 0.3 . 1 . . . . . 95 LYS CD . 19967 1 1158 . 1 1 95 95 LYS CE C 13 41.959 0.3 . 1 . . . . . 95 LYS CE . 19967 1 1159 . 1 1 95 95 LYS N N 15 119.605 0.3 . 1 . . . . . 95 LYS N . 19967 1 1160 . 1 1 96 96 LYS H H 1 8.289 0.020 . 1 . . . . . 96 LYS H . 19967 1 1161 . 1 1 96 96 LYS HA H 1 4.078 0.020 . 1 . . . . . 96 LYS HA . 19967 1 1162 . 1 1 96 96 LYS HB2 H 1 1.837 0.020 . 2 . . . . . 96 LYS HB2 . 19967 1 1163 . 1 1 96 96 LYS HB3 H 1 1.904 0.020 . 2 . . . . . 96 LYS HB3 . 19967 1 1164 . 1 1 96 96 LYS HG2 H 1 1.365 0.020 . 2 . . . . . 96 LYS HG2 . 19967 1 1165 . 1 1 96 96 LYS HG3 H 1 1.485 0.020 . 2 . . . . . 96 LYS HG3 . 19967 1 1166 . 1 1 96 96 LYS HD2 H 1 1.681 0.020 . 1 . . . . . 96 LYS HD2 . 19967 1 1167 . 1 1 96 96 LYS HD3 H 1 1.681 0.020 . 1 . . . . . 96 LYS HD3 . 19967 1 1168 . 1 1 96 96 LYS HE2 H 1 2.969 0.020 . 1 . . . . . 96 LYS HE2 . 19967 1 1169 . 1 1 96 96 LYS HE3 H 1 2.969 0.020 . 1 . . . . . 96 LYS HE3 . 19967 1 1170 . 1 1 96 96 LYS C C 13 179.376 0.3 . 1 . . . . . 96 LYS C . 19967 1 1171 . 1 1 96 96 LYS CA C 13 58.834 0.3 . 1 . . . . . 96 LYS CA . 19967 1 1172 . 1 1 96 96 LYS CB C 13 32.210 0.3 . 1 . . . . . 96 LYS CB . 19967 1 1173 . 1 1 96 96 LYS CG C 13 24.695 0.3 . 1 . . . . . 96 LYS CG . 19967 1 1174 . 1 1 96 96 LYS CD C 13 28.865 0.3 . 1 . . . . . 96 LYS CD . 19967 1 1175 . 1 1 96 96 LYS CE C 13 41.947 0.3 . 1 . . . . . 96 LYS CE . 19967 1 1176 . 1 1 96 96 LYS N N 15 118.555 0.3 . 1 . . . . . 96 LYS N . 19967 1 1177 . 1 1 97 97 GLU H H 1 7.758 0.020 . 1 . . . . . 97 GLU H . 19967 1 1178 . 1 1 97 97 GLU HA H 1 4.077 0.020 . 1 . . . . . 97 GLU HA . 19967 1 1179 . 1 1 97 97 GLU HB2 H 1 1.841 0.020 . 2 . . . . . 97 GLU HB2 . 19967 1 1180 . 1 1 97 97 GLU HB3 H 1 1.973 0.020 . 2 . . . . . 97 GLU HB3 . 19967 1 1181 . 1 1 97 97 GLU HG2 H 1 2.183 0.020 . 2 . . . . . 97 GLU HG2 . 19967 1 1182 . 1 1 97 97 GLU HG3 H 1 1.990 0.020 . 2 . . . . . 97 GLU HG3 . 19967 1 1183 . 1 1 97 97 GLU C C 13 179.277 0.3 . 1 . . . . . 97 GLU C . 19967 1 1184 . 1 1 97 97 GLU CA C 13 58.664 0.3 . 1 . . . . . 97 GLU CA . 19967 1 1185 . 1 1 97 97 GLU CB C 13 28.689 0.3 . 1 . . . . . 97 GLU CB . 19967 1 1186 . 1 1 97 97 GLU CG C 13 35.001 0.3 . 1 . . . . . 97 GLU CG . 19967 1 1187 . 1 1 97 97 GLU N N 15 120.339 0.3 . 1 . . . . . 97 GLU N . 19967 1 1188 . 1 1 98 98 TRP H H 1 8.088 0.020 . 1 . . . . . 98 TRP H . 19967 1 1189 . 1 1 98 98 TRP HA H 1 4.180 0.020 . 1 . . . . . 98 TRP HA . 19967 1 1190 . 1 1 98 98 TRP HB2 H 1 3.246 0.020 . 1 . . . . . 98 TRP HB2 . 19967 1 1191 . 1 1 98 98 TRP HB3 H 1 3.246 0.020 . 1 . . . . . 98 TRP HB3 . 19967 1 1192 . 1 1 98 98 TRP HD1 H 1 7.240 0.020 . 1 . . . . . 98 TRP HD1 . 19967 1 1193 . 1 1 98 98 TRP HE1 H 1 10.931 0.020 . 1 . . . . . 98 TRP HE1 . 19967 1 1194 . 1 1 98 98 TRP HE3 H 1 7.728 0.020 . 1 . . . . . 98 TRP HE3 . 19967 1 1195 . 1 1 98 98 TRP HZ2 H 1 7.447 0.020 . 1 . . . . . 98 TRP HZ2 . 19967 1 1196 . 1 1 98 98 TRP HH2 H 1 7.152 0.020 . 1 . . . . . 98 TRP HH2 . 19967 1 1197 . 1 1 98 98 TRP C C 13 178.107 0.3 . 1 . . . . . 98 TRP C . 19967 1 1198 . 1 1 98 98 TRP CA C 13 61.205 0.3 . 1 . . . . . 98 TRP CA . 19967 1 1199 . 1 1 98 98 TRP CB C 13 28.556 0.3 . 1 . . . . . 98 TRP CB . 19967 1 1200 . 1 1 98 98 TRP CD1 C 13 125.758 0.3 . 1 . . . . . 98 TRP CD1 . 19967 1 1201 . 1 1 98 98 TRP CE3 C 13 130.065 0.3 . 1 . . . . . 98 TRP CE3 . 19967 1 1202 . 1 1 98 98 TRP CZ2 C 13 112.801 0.3 . 1 . . . . . 98 TRP CZ2 . 19967 1 1203 . 1 1 98 98 TRP CH2 C 13 118.686 0.3 . 1 . . . . . 98 TRP CH2 . 19967 1 1204 . 1 1 98 98 TRP N N 15 119.245 0.3 . 1 . . . . . 98 TRP N . 19967 1 1205 . 1 1 98 98 TRP NE1 N 15 130.852 0.3 . 1 . . . . . 98 TRP NE1 . 19967 1 1206 . 1 1 99 99 GLU H H 1 8.103 0.020 . 1 . . . . . 99 GLU H . 19967 1 1207 . 1 1 99 99 GLU HA H 1 4.134 0.020 . 1 . . . . . 99 GLU HA . 19967 1 1208 . 1 1 99 99 GLU HB2 H 1 2.235 0.020 . 2 . . . . . 99 GLU HB2 . 19967 1 1209 . 1 1 99 99 GLU HB3 H 1 2.102 0.020 . 2 . . . . . 99 GLU HB3 . 19967 1 1210 . 1 1 99 99 GLU HG2 H 1 2.360 0.020 . 1 . . . . . 99 GLU HG2 . 19967 1 1211 . 1 1 99 99 GLU HG3 H 1 2.360 0.020 . 1 . . . . . 99 GLU HG3 . 19967 1 1212 . 1 1 99 99 GLU C C 13 178.787 0.3 . 1 . . . . . 99 GLU C . 19967 1 1213 . 1 1 99 99 GLU CA C 13 59.488 0.3 . 1 . . . . . 99 GLU CA . 19967 1 1214 . 1 1 99 99 GLU CB C 13 29.280 0.3 . 1 . . . . . 99 GLU CB . 19967 1 1215 . 1 1 99 99 GLU CG C 13 36.033 0.3 . 1 . . . . . 99 GLU CG . 19967 1 1216 . 1 1 99 99 GLU N N 15 119.362 0.3 . 1 . . . . . 99 GLU N . 19967 1 1217 . 1 1 100 100 LYS H H 1 7.369 0.020 . 1 . . . . . 100 LYS H . 19967 1 1218 . 1 1 100 100 LYS HA H 1 4.072 0.020 . 1 . . . . . 100 LYS HA . 19967 1 1219 . 1 1 100 100 LYS HB2 H 1 1.912 0.020 . 2 . . . . . 100 LYS HB2 . 19967 1 1220 . 1 1 100 100 LYS HB3 H 1 1.837 0.020 . 2 . . . . . 100 LYS HB3 . 19967 1 1221 . 1 1 100 100 LYS HG2 H 1 1.561 0.020 . 1 . . . . . 100 LYS HG2 . 19967 1 1222 . 1 1 100 100 LYS HG3 H 1 1.561 0.020 . 1 . . . . . 100 LYS HG3 . 19967 1 1223 . 1 1 100 100 LYS HD2 H 1 1.672 0.020 . 1 . . . . . 100 LYS HD2 . 19967 1 1224 . 1 1 100 100 LYS HD3 H 1 1.672 0.020 . 1 . . . . . 100 LYS HD3 . 19967 1 1225 . 1 1 100 100 LYS HE2 H 1 2.867 0.020 . 2 . . . . . 100 LYS HE2 . 19967 1 1226 . 1 1 100 100 LYS HE3 H 1 2.943 0.020 . 2 . . . . . 100 LYS HE3 . 19967 1 1227 . 1 1 100 100 LYS C C 13 178.623 0.3 . 1 . . . . . 100 LYS C . 19967 1 1228 . 1 1 100 100 LYS CA C 13 58.548 0.3 . 1 . . . . . 100 LYS CA . 19967 1 1229 . 1 1 100 100 LYS CB C 13 32.069 0.3 . 1 . . . . . 100 LYS CB . 19967 1 1230 . 1 1 100 100 LYS CG C 13 24.952 0.3 . 1 . . . . . 100 LYS CG . 19967 1 1231 . 1 1 100 100 LYS CD C 13 29.065 0.3 . 1 . . . . . 100 LYS CD . 19967 1 1232 . 1 1 100 100 LYS CE C 13 41.876 0.3 . 1 . . . . . 100 LYS CE . 19967 1 1233 . 1 1 100 100 LYS N N 15 118.217 0.3 . 1 . . . . . 100 LYS N . 19967 1 1234 . 1 1 101 101 ILE H H 1 7.845 0.020 . 1 . . . . . 101 ILE H . 19967 1 1235 . 1 1 101 101 ILE HA H 1 3.387 0.020 . 1 . . . . . 101 ILE HA . 19967 1 1236 . 1 1 101 101 ILE HB H 1 1.696 0.020 . 1 . . . . . 101 ILE HB . 19967 1 1237 . 1 1 101 101 ILE HG12 H 1 1.362 0.020 . 2 . . . . . 101 ILE HG12 . 19967 1 1238 . 1 1 101 101 ILE HG13 H 1 0.465 0.020 . 2 . . . . . 101 ILE HG13 . 19967 1 1239 . 1 1 101 101 ILE HG21 H 1 0.534 0.020 . 1 . . . . . 101 ILE HG2 . 19967 1 1240 . 1 1 101 101 ILE HG22 H 1 0.534 0.020 . 1 . . . . . 101 ILE HG2 . 19967 1 1241 . 1 1 101 101 ILE HG23 H 1 0.534 0.020 . 1 . . . . . 101 ILE HG2 . 19967 1 1242 . 1 1 101 101 ILE HD11 H 1 -0.166 0.020 . 1 . . . . . 101 ILE HD1 . 19967 1 1243 . 1 1 101 101 ILE HD12 H 1 -0.166 0.020 . 1 . . . . . 101 ILE HD1 . 19967 1 1244 . 1 1 101 101 ILE HD13 H 1 -0.166 0.020 . 1 . . . . . 101 ILE HD1 . 19967 1 1245 . 1 1 101 101 ILE C C 13 178.380 0.3 . 1 . . . . . 101 ILE C . 19967 1 1246 . 1 1 101 101 ILE CA C 13 64.721 0.3 . 1 . . . . . 101 ILE CA . 19967 1 1247 . 1 1 101 101 ILE CB C 13 37.932 0.3 . 1 . . . . . 101 ILE CB . 19967 1 1248 . 1 1 101 101 ILE CG1 C 13 28.618 0.3 . 1 . . . . . 101 ILE CG1 . 19967 1 1249 . 1 1 101 101 ILE CG2 C 13 16.866 0.3 . 1 . . . . . 101 ILE CG2 . 19967 1 1250 . 1 1 101 101 ILE CD1 C 13 12.586 0.3 . 1 . . . . . 101 ILE CD1 . 19967 1 1251 . 1 1 101 101 ILE N N 15 120.513 0.3 . 1 . . . . . 101 ILE N . 19967 1 1252 . 1 1 102 102 ILE H H 1 8.045 0.020 . 1 . . . . . 102 ILE H . 19967 1 1253 . 1 1 102 102 ILE HA H 1 3.799 0.020 . 1 . . . . . 102 ILE HA . 19967 1 1254 . 1 1 102 102 ILE HB H 1 1.926 0.020 . 1 . . . . . 102 ILE HB . 19967 1 1255 . 1 1 102 102 ILE HG12 H 1 1.618 0.020 . 2 . . . . . 102 ILE HG12 . 19967 1 1256 . 1 1 102 102 ILE HG13 H 1 1.304 0.020 . 2 . . . . . 102 ILE HG13 . 19967 1 1257 . 1 1 102 102 ILE HG21 H 1 0.905 0.020 . 1 . . . . . 102 ILE HG2 . 19967 1 1258 . 1 1 102 102 ILE HG22 H 1 0.905 0.020 . 1 . . . . . 102 ILE HG2 . 19967 1 1259 . 1 1 102 102 ILE HG23 H 1 0.905 0.020 . 1 . . . . . 102 ILE HG2 . 19967 1 1260 . 1 1 102 102 ILE HD11 H 1 0.844 0.020 . 1 . . . . . 102 ILE HD1 . 19967 1 1261 . 1 1 102 102 ILE HD12 H 1 0.844 0.020 . 1 . . . . . 102 ILE HD1 . 19967 1 1262 . 1 1 102 102 ILE HD13 H 1 0.844 0.020 . 1 . . . . . 102 ILE HD1 . 19967 1 1263 . 1 1 102 102 ILE C C 13 177.700 0.3 . 1 . . . . . 102 ILE C . 19967 1 1264 . 1 1 102 102 ILE CA C 13 63.494 0.3 . 1 . . . . . 102 ILE CA . 19967 1 1265 . 1 1 102 102 ILE CB C 13 37.737 0.3 . 1 . . . . . 102 ILE CB . 19967 1 1266 . 1 1 102 102 ILE CG1 C 13 28.486 0.3 . 1 . . . . . 102 ILE CG1 . 19967 1 1267 . 1 1 102 102 ILE CG2 C 13 17.304 0.3 . 1 . . . . . 102 ILE CG2 . 19967 1 1268 . 1 1 102 102 ILE CD1 C 13 12.688 0.3 . 1 . . . . . 102 ILE CD1 . 19967 1 1269 . 1 1 102 102 ILE N N 15 119.488 0.3 . 1 . . . . . 102 ILE N . 19967 1 1270 . 1 1 103 103 GLU H H 1 7.908 0.020 . 1 . . . . . 103 GLU H . 19967 1 1271 . 1 1 103 103 GLU HA H 1 4.073 0.020 . 1 . . . . . 103 GLU HA . 19967 1 1272 . 1 1 103 103 GLU HB2 H 1 2.041 0.020 . 2 . . . . . 103 GLU HB2 . 19967 1 1273 . 1 1 103 103 GLU HB3 H 1 1.913 0.020 . 2 . . . . . 103 GLU HB3 . 19967 1 1274 . 1 1 103 103 GLU HG2 H 1 2.225 0.020 . 2 . . . . . 103 GLU HG2 . 19967 1 1275 . 1 1 103 103 GLU HG3 H 1 2.357 0.020 . 2 . . . . . 103 GLU HG3 . 19967 1 1276 . 1 1 103 103 GLU C C 13 177.842 0.3 . 1 . . . . . 103 GLU C . 19967 1 1277 . 1 1 103 103 GLU CA C 13 58.303 0.3 . 1 . . . . . 103 GLU CA . 19967 1 1278 . 1 1 103 103 GLU CB C 13 29.745 0.3 . 1 . . . . . 103 GLU CB . 19967 1 1279 . 1 1 103 103 GLU CG C 13 36.324 0.3 . 1 . . . . . 103 GLU CG . 19967 1 1280 . 1 1 103 103 GLU N N 15 120.673 0.3 . 1 . . . . . 103 GLU N . 19967 1 1281 . 1 1 104 104 ARG H H 1 7.961 0.020 . 1 . . . . . 104 ARG H . 19967 1 1282 . 1 1 104 104 ARG HA H 1 4.162 0.020 . 1 . . . . . 104 ARG HA . 19967 1 1283 . 1 1 104 104 ARG HB2 H 1 1.930 0.020 . 2 . . . . . 104 ARG HB2 . 19967 1 1284 . 1 1 104 104 ARG HB3 H 1 1.823 0.020 . 2 . . . . . 104 ARG HB3 . 19967 1 1285 . 1 1 104 104 ARG HG2 H 1 1.705 0.020 . 2 . . . . . 104 ARG HG2 . 19967 1 1286 . 1 1 104 104 ARG HG3 H 1 1.612 0.020 . 2 . . . . . 104 ARG HG3 . 19967 1 1287 . 1 1 104 104 ARG HD2 H 1 3.141 0.020 . 2 . . . . . 104 ARG HD2 . 19967 1 1288 . 1 1 104 104 ARG HD3 H 1 3.071 0.020 . 2 . . . . . 104 ARG HD3 . 19967 1 1289 . 1 1 104 104 ARG C C 13 177.355 0.3 . 1 . . . . . 104 ARG C . 19967 1 1290 . 1 1 104 104 ARG CA C 13 57.404 0.3 . 1 . . . . . 104 ARG CA . 19967 1 1291 . 1 1 104 104 ARG CB C 13 30.027 0.3 . 1 . . . . . 104 ARG CB . 19967 1 1292 . 1 1 104 104 ARG CG C 13 27.271 0.3 . 1 . . . . . 104 ARG CG . 19967 1 1293 . 1 1 104 104 ARG CD C 13 43.410 0.3 . 1 . . . . . 104 ARG CD . 19967 1 1294 . 1 1 104 104 ARG N N 15 118.846 0.3 . 1 . . . . . 104 ARG N . 19967 1 1295 . 1 1 105 105 LYS H H 1 7.921 0.020 . 1 . . . . . 105 LYS H . 19967 1 1296 . 1 1 105 105 LYS HA H 1 4.197 0.020 . 1 . . . . . 105 LYS HA . 19967 1 1297 . 1 1 105 105 LYS HB2 H 1 1.840 0.020 . 2 . . . . . 105 LYS HB2 . 19967 1 1298 . 1 1 105 105 LYS HB3 H 1 1.890 0.020 . 2 . . . . . 105 LYS HB3 . 19967 1 1299 . 1 1 105 105 LYS HG2 H 1 1.494 0.020 . 2 . . . . . 105 LYS HG2 . 19967 1 1300 . 1 1 105 105 LYS HG3 H 1 1.413 0.020 . 2 . . . . . 105 LYS HG3 . 19967 1 1301 . 1 1 105 105 LYS HD2 H 1 1.669 0.020 . 1 . . . . . 105 LYS HD2 . 19967 1 1302 . 1 1 105 105 LYS HD3 H 1 1.669 0.020 . 1 . . . . . 105 LYS HD3 . 19967 1 1303 . 1 1 105 105 LYS HE2 H 1 2.969 0.020 . 1 . . . . . 105 LYS HE2 . 19967 1 1304 . 1 1 105 105 LYS HE3 H 1 2.969 0.020 . 1 . . . . . 105 LYS HE3 . 19967 1 1305 . 1 1 105 105 LYS C C 13 177.444 0.3 . 1 . . . . . 105 LYS C . 19967 1 1306 . 1 1 105 105 LYS CA C 13 57.290 0.3 . 1 . . . . . 105 LYS CA . 19967 1 1307 . 1 1 105 105 LYS CB C 13 32.421 0.3 . 1 . . . . . 105 LYS CB . 19967 1 1308 . 1 1 105 105 LYS CG C 13 24.650 0.3 . 1 . . . . . 105 LYS CG . 19967 1 1309 . 1 1 105 105 LYS CD C 13 29.101 0.3 . 1 . . . . . 105 LYS CD . 19967 1 1310 . 1 1 105 105 LYS CE C 13 41.927 0.3 . 1 . . . . . 105 LYS CE . 19967 1 1311 . 1 1 105 105 LYS N N 15 120.157 0.3 . 1 . . . . . 105 LYS N . 19967 1 stop_ save_