data_25111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25111 _Entry.Title ; Resonance assignment of the ligand-free cyclic nucleotide-binding domain from the murine ion channel HCN2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-25 _Entry.Accession_date 2014-07-25 _Entry.Last_release_date 2014-07-25 _Entry.Original_release_date 2014-07-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Claudia Boerger . . . . 25111 2 Dieter Willbold . . . . 25111 3 Justin Lecher . . . . 25111 4 Sven Schuenke . . . . 25111 5 Matthias Stoldt . . . . 25111 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25111 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Complex Systems (ICS-6)' . 25111 2 . 'Institute of Physical Biology' . 25111 3 . 'Department of Molecular Sensory Systems' . 25111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 637 25111 '15N chemical shifts' 151 25111 '1H chemical shifts' 1045 25111 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 . . 2022-05-12 . original BMRB . 25111 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25111 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 25324217 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment of the ligand-free cyclic nucleotide-binding domain from the murine ion channel HCN2 ; _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 2 _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 243 _Citation.Page_last 246 _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 Claudia Boerger . . . . 25111 1 2 Sven Schuenke . . . . 25111 1 3 Justin Lecher . . . . 25111 1 4 Matthias Stoldt . . . . 25111 1 5 Friederike Winkhaus . . . . 25111 1 6 Ulrich Kaupp . . . . 25111 1 7 Dieter Willbold . . . . 25111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25111 _Assembly.ID 1 _Assembly.Name HCN2apo _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 16315.0116 _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 HCN2N507 1 $HCN2N507 A . yes native no no . . 'Due to clonig artifacts and residual overhang from protease cleavage the proteins starts with GPLGS' 25111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCN2N507 _Entity.Sf_category entity _Entity.Sf_framecode HCN2N507 _Entity.Entry_ID 25111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCN2N507 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSNCRKLVASMPLFANA DPNFVTAMLTKLKFEVFQPG DYIIREGTIGKKMYFIQHGV VSVLTKGNKEMKLSDGSYFG EICLLTRGRRTASVRADTYC RLYSLSVDNFNEVLEEYPMM RRAFETVAIDRLDRIGKKNS ILLH ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16315.0116 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Due to clonig artifacts and residual overhang from protease cleavage the proteins starts with GPLGS' _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 . yes UniProt O88703 . O88703 . . . . . . . . . . . . . . 25111 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 . GLY . 25111 1 2 . PRO . 25111 1 3 . LEU . 25111 1 4 . GLY . 25111 1 5 . SER . 25111 1 6 . ASN . 25111 1 7 . CYS . 25111 1 8 . ARG . 25111 1 9 . LYS . 25111 1 10 . LEU . 25111 1 11 . VAL . 25111 1 12 . ALA . 25111 1 13 . SER . 25111 1 14 . MET . 25111 1 15 . PRO . 25111 1 16 . LEU . 25111 1 17 . PHE . 25111 1 18 . ALA . 25111 1 19 . ASN . 25111 1 20 . ALA . 25111 1 21 . ASP . 25111 1 22 . PRO . 25111 1 23 . ASN . 25111 1 24 . PHE . 25111 1 25 . VAL . 25111 1 26 . THR . 25111 1 27 . ALA . 25111 1 28 . MET . 25111 1 29 . LEU . 25111 1 30 . THR . 25111 1 31 . LYS . 25111 1 32 . LEU . 25111 1 33 . LYS . 25111 1 34 . PHE . 25111 1 35 . GLU . 25111 1 36 . VAL . 25111 1 37 . PHE . 25111 1 38 . GLN . 25111 1 39 . PRO . 25111 1 40 . GLY . 25111 1 41 . ASP . 25111 1 42 . TYR . 25111 1 43 . ILE . 25111 1 44 . ILE . 25111 1 45 . ARG . 25111 1 46 . GLU . 25111 1 47 . GLY . 25111 1 48 . THR . 25111 1 49 . ILE . 25111 1 50 . GLY . 25111 1 51 . LYS . 25111 1 52 . LYS . 25111 1 53 . MET . 25111 1 54 . TYR . 25111 1 55 . PHE . 25111 1 56 . ILE . 25111 1 57 . GLN . 25111 1 58 . HIS . 25111 1 59 . GLY . 25111 1 60 . VAL . 25111 1 61 . VAL . 25111 1 62 . SER . 25111 1 63 . VAL . 25111 1 64 . LEU . 25111 1 65 . THR . 25111 1 66 . LYS . 25111 1 67 . GLY . 25111 1 68 . ASN . 25111 1 69 . LYS . 25111 1 70 . GLU . 25111 1 71 . MET . 25111 1 72 . LYS . 25111 1 73 . LEU . 25111 1 74 . SER . 25111 1 75 . ASP . 25111 1 76 . GLY . 25111 1 77 . SER . 25111 1 78 . TYR . 25111 1 79 . PHE . 25111 1 80 . GLY . 25111 1 81 . GLU . 25111 1 82 . ILE . 25111 1 83 . CYS . 25111 1 84 . LEU . 25111 1 85 . LEU . 25111 1 86 . THR . 25111 1 87 . ARG . 25111 1 88 . GLY . 25111 1 89 . ARG . 25111 1 90 . ARG . 25111 1 91 . THR . 25111 1 92 . ALA . 25111 1 93 . SER . 25111 1 94 . VAL . 25111 1 95 . ARG . 25111 1 96 . ALA . 25111 1 97 . ASP . 25111 1 98 . THR . 25111 1 99 . TYR . 25111 1 100 . CYS . 25111 1 101 . ARG . 25111 1 102 . LEU . 25111 1 103 . TYR . 25111 1 104 . SER . 25111 1 105 . LEU . 25111 1 106 . SER . 25111 1 107 . VAL . 25111 1 108 . ASP . 25111 1 109 . ASN . 25111 1 110 . PHE . 25111 1 111 . ASN . 25111 1 112 . GLU . 25111 1 113 . VAL . 25111 1 114 . LEU . 25111 1 115 . GLU . 25111 1 116 . GLU . 25111 1 117 . TYR . 25111 1 118 . PRO . 25111 1 119 . MET . 25111 1 120 . MET . 25111 1 121 . ARG . 25111 1 122 . ARG . 25111 1 123 . ALA . 25111 1 124 . PHE . 25111 1 125 . GLU . 25111 1 126 . THR . 25111 1 127 . VAL . 25111 1 128 . ALA . 25111 1 129 . ILE . 25111 1 130 . ASP . 25111 1 131 . ARG . 25111 1 132 . LEU . 25111 1 133 . ASP . 25111 1 134 . ARG . 25111 1 135 . ILE . 25111 1 136 . GLY . 25111 1 137 . LYS . 25111 1 138 . LYS . 25111 1 139 . ASN . 25111 1 140 . SER . 25111 1 141 . ILE . 25111 1 142 . LEU . 25111 1 143 . LEU . 25111 1 144 . HIS . 25111 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25111 1 . PRO 2 2 25111 1 . LEU 3 3 25111 1 . GLY 4 4 25111 1 . SER 5 5 25111 1 . ASN 6 6 25111 1 . CYS 7 7 25111 1 . ARG 8 8 25111 1 . LYS 9 9 25111 1 . LEU 10 10 25111 1 . VAL 11 11 25111 1 . ALA 12 12 25111 1 . SER 13 13 25111 1 . MET 14 14 25111 1 . PRO 15 15 25111 1 . LEU 16 16 25111 1 . PHE 17 17 25111 1 . ALA 18 18 25111 1 . ASN 19 19 25111 1 . ALA 20 20 25111 1 . ASP 21 21 25111 1 . PRO 22 22 25111 1 . ASN 23 23 25111 1 . PHE 24 24 25111 1 . VAL 25 25 25111 1 . THR 26 26 25111 1 . ALA 27 27 25111 1 . MET 28 28 25111 1 . LEU 29 29 25111 1 . THR 30 30 25111 1 . LYS 31 31 25111 1 . LEU 32 32 25111 1 . LYS 33 33 25111 1 . PHE 34 34 25111 1 . GLU 35 35 25111 1 . VAL 36 36 25111 1 . PHE 37 37 25111 1 . GLN 38 38 25111 1 . PRO 39 39 25111 1 . GLY 40 40 25111 1 . ASP 41 41 25111 1 . TYR 42 42 25111 1 . ILE 43 43 25111 1 . ILE 44 44 25111 1 . ARG 45 45 25111 1 . GLU 46 46 25111 1 . GLY 47 47 25111 1 . THR 48 48 25111 1 . ILE 49 49 25111 1 . GLY 50 50 25111 1 . LYS 51 51 25111 1 . LYS 52 52 25111 1 . MET 53 53 25111 1 . TYR 54 54 25111 1 . PHE 55 55 25111 1 . ILE 56 56 25111 1 . GLN 57 57 25111 1 . HIS 58 58 25111 1 . GLY 59 59 25111 1 . VAL 60 60 25111 1 . VAL 61 61 25111 1 . SER 62 62 25111 1 . VAL 63 63 25111 1 . LEU 64 64 25111 1 . THR 65 65 25111 1 . LYS 66 66 25111 1 . GLY 67 67 25111 1 . ASN 68 68 25111 1 . LYS 69 69 25111 1 . GLU 70 70 25111 1 . MET 71 71 25111 1 . LYS 72 72 25111 1 . LEU 73 73 25111 1 . SER 74 74 25111 1 . ASP 75 75 25111 1 . GLY 76 76 25111 1 . SER 77 77 25111 1 . TYR 78 78 25111 1 . PHE 79 79 25111 1 . GLY 80 80 25111 1 . GLU 81 81 25111 1 . ILE 82 82 25111 1 . CYS 83 83 25111 1 . LEU 84 84 25111 1 . LEU 85 85 25111 1 . THR 86 86 25111 1 . ARG 87 87 25111 1 . GLY 88 88 25111 1 . ARG 89 89 25111 1 . ARG 90 90 25111 1 . THR 91 91 25111 1 . ALA 92 92 25111 1 . SER 93 93 25111 1 . VAL 94 94 25111 1 . ARG 95 95 25111 1 . ALA 96 96 25111 1 . ASP 97 97 25111 1 . THR 98 98 25111 1 . TYR 99 99 25111 1 . CYS 100 100 25111 1 . ARG 101 101 25111 1 . LEU 102 102 25111 1 . TYR 103 103 25111 1 . SER 104 104 25111 1 . LEU 105 105 25111 1 . SER 106 106 25111 1 . VAL 107 107 25111 1 . ASP 108 108 25111 1 . ASN 109 109 25111 1 . PHE 110 110 25111 1 . ASN 111 111 25111 1 . GLU 112 112 25111 1 . VAL 113 113 25111 1 . LEU 114 114 25111 1 . GLU 115 115 25111 1 . GLU 116 116 25111 1 . TYR 117 117 25111 1 . PRO 118 118 25111 1 . MET 119 119 25111 1 . MET 120 120 25111 1 . ARG 121 121 25111 1 . ARG 122 122 25111 1 . ALA 123 123 25111 1 . PHE 124 124 25111 1 . GLU 125 125 25111 1 . THR 126 126 25111 1 . VAL 127 127 25111 1 . ALA 128 128 25111 1 . ILE 129 129 25111 1 . ASP 130 130 25111 1 . ARG 131 131 25111 1 . LEU 132 132 25111 1 . ASP 133 133 25111 1 . ARG 134 134 25111 1 . ILE 135 135 25111 1 . GLY 136 136 25111 1 . LYS 137 137 25111 1 . LYS 138 138 25111 1 . ASN 139 139 25111 1 . SER 140 140 25111 1 . ILE 141 141 25111 1 . LEU 142 142 25111 1 . LEU 143 143 25111 1 . HIS 144 144 25111 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 25111 _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 $HCN2N507 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . HCN2 . 25111 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 25111 _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 $HCN2N507 . 'recombinant technology' 'Escherichia coli' E.coli . 10090 Escherichia coli 'BL21 (DE3) cod+ RP' . . . . . PGEX-6P2 . . . 25111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_N507 _Sample.Sf_category sample _Sample.Sf_framecode N507 _Sample.Entry_ID 25111 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 HCN2N507 '[U-100% 13C; U-100% 15N]' . . 1 $HCN2N507 . . 0.45 . . mM . . . . 25111 1 2 DTT 'natural abundance' . . . . . . 0.50 . . mM . . . . 25111 1 3 NaCl 'natural abundance' . . . . . . 50.00 . . mM . . . . 25111 1 4 EDTA 'natural abundance' . . . . . . 0.50 . . mM . . . . 25111 1 5 Citrate 'natural abundance' . . . . . . 25.00 . . mM . . . . 25111 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25111 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25111 1 stop_ save_ ####################### # Sample conditions # ####################### save_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard _Sample_condition_list.Entry_ID 25111 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 75.000 . mM 25111 1 pH 5.600 . pH 25111 1 pressure 1.000 . atm 25111 1 temperature 298.000 . K 25111 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25111 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25111 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID assignment . 25111 1 'data evaluation' . 25111 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25111 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 8.1.2013.218.23.09 _Software.DOI . _Software.Details 'NMRPipe Spectral Processing and Analysis System' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH 'Laboratory of Chemical Physics, NIDDK, NIH, USA' http://spin.niddk.nih.gov/bax/software/NMRPipe/ 25111 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID conversion . 25111 2 processing . 25111 2 stop_ save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 25111 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version 4.01.2013.148.15.55 _Software.DOI . _Software.Details 'Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen and Ad Bax' 'Laboratory of Chemical Physics, NIDDK, NIH, USA' http://spin.niddk.nih.gov/bax/software/TALOS-N/ 25111 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'dihedreal angle prediction' . 25111 3 stop_ save_ save_VnmrJ _Software.Sf_category software _Software.Sf_framecode VnmrJ _Software.Entry_ID 25111 _Software.ID 4 _Software.Type . _Software.Name VnmrJ _Software.Version 3.2 _Software.DOI . _Software.Details 'NMR acquisition and processing software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Agilent Technologies (formerly Varian)' 'Lake Forest, CA, USA' http://www.chem.agilent.com/en-US/products-services/Software-Informatics/VnmrJ/Pages/default.aspx 25111 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data recording' . 25111 4 'spectrometer operation' . 25111 4 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 25111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25111 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 1_spectrometer Varian VNMRS . 900 . . . 25111 1 stop_ save_ save_900_CP _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 900_CP _NMR_spectrometer_probe.Entry_ID 25111 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Name . _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Varian _NMR_spectrometer_probe.Model '900MHz Z-axis PFG triple resonance cold probe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 5.0 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25111 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 25111 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 5 'HNHA (H[N[ca[HA]]])' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 6 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 7 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 1 8 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . . . 1 $N507 isotropic . . 1 $Standard . . . 1 $1_spectrometer 1 $900_CP . . . . . . . . . . . . . . . 25111 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 25111 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 carbons' . . . . ppm 0.0 internal direct 0.251449530 . . . . . 25111 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25111 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25111 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25111 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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/HMQC' 1 $N507 isotropic 25111 1 2 '3D HNCACB' 1 $N507 isotropic 25111 1 3 '3D HNCA' 1 $N507 isotropic 25111 1 4 '3D HNCO' 1 $N507 isotropic 25111 1 5 'HNHA (H[N[ca[HA]]])' 1 $N507 isotropic 25111 1 6 '2D 1H-13C HSQC/HMQC' 1 $N507 isotropic 25111 1 7 '3D HCCH-COSY' 1 $N507 isotropic 25111 1 8 '2D 1H-13C HSQC/HMQC' 1 $N507 isotropic 25111 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 2 $CcpNmr_Analysis_2.4 . . 25111 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY HA2 H 1 3.974 0.004 . 2 . . 1599 . . 502 GLY HA2 . 25111 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.973 0.004 . 2 . . 1601 . . 502 GLY HA3 . 25111 1 3 . 1 . 1 1 1 GLY CA C 13 43.532 0.032 . 1 . . 1600 . . 502 GLY CA . 25111 1 4 . 1 . 1 2 2 PRO HA H 1 4.434 0.003 . 1 . . 758 . . 503 PRO HA . 25111 1 5 . 1 . 1 2 2 PRO HB2 H 1 1.905 0.006 . 2 . . 1016 . . 503 PRO HB2 . 25111 1 6 . 1 . 1 2 2 PRO HB3 H 1 2.241 0.004 . 2 . . 1017 . . 503 PRO HB3 . 25111 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.958 0.003 . 2 . . 1210 . . 503 PRO HG2 . 25111 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.956 0.001 . 2 . . 1527 . . 503 PRO HG3 . 25111 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.528 0.008 . 2 . . 1212 . . 503 PRO HD2 . 25111 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.558 0.001 . 2 . . 1213 . . 503 PRO HD3 . 25111 1 11 . 1 . 1 2 2 PRO CA C 13 63.289 0.045 . 1 . . 750 . . 503 PRO CA . 25111 1 12 . 1 . 1 2 2 PRO CB C 13 32.405 0.042 . 1 . . 751 . . 503 PRO CB . 25111 1 13 . 1 . 1 2 2 PRO CG C 13 27.158 0.039 . 1 . . 1211 . . 503 PRO CG . 25111 1 14 . 1 . 1 2 2 PRO CD C 13 49.729 0.2 . 1 . . 1214 . . 503 PRO CD . 25111 1 15 . 1 . 1 3 3 LEU H H 1 8.474 0.005 . 1 . . 1665 . . 504 LEU H . 25111 1 16 . 1 . 1 3 3 LEU HA H 1 4.296 0.004 . 1 . . 504 . . 504 LEU HA . 25111 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.630 0.007 . 2 . . 762 . . 504 LEU HB2 . 25111 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.524 0.007 . 2 . . 763 . . 504 LEU HB3 . 25111 1 19 . 1 . 1 3 3 LEU HG H 1 1.621 0.004 . 1 . . 1085 . . 504 LEU HG . 25111 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.873 0.008 . 2 . . 1366 . . 504 LEU HD11 . 25111 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.873 0.008 . 2 . . 1366 . . 504 LEU HD12 . 25111 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.873 0.008 . 2 . . 1366 . . 504 LEU HD13 . 25111 1 23 . 1 . 1 3 3 LEU HD21 H 1 0.830 0.006 . 2 . . 1456 . . 504 LEU HD21 . 25111 1 24 . 1 . 1 3 3 LEU HD22 H 1 0.830 0.006 . 2 . . 1456 . . 504 LEU HD22 . 25111 1 25 . 1 . 1 3 3 LEU HD23 H 1 0.830 0.006 . 2 . . 1456 . . 504 LEU HD23 . 25111 1 26 . 1 . 1 3 3 LEU C C 13 177.920 0.2 . 1 . . 1458 . . 504 LEU C . 25111 1 27 . 1 . 1 3 3 LEU CA C 13 55.496 0.059 . 1 . . 422 . . 504 LEU CA . 25111 1 28 . 1 . 1 3 3 LEU CB C 13 42.276 0.038 . 1 . . 752 . . 504 LEU CB . 25111 1 29 . 1 . 1 3 3 LEU CG C 13 27.163 0.017 . 1 . . 1364 . . 504 LEU CG . 25111 1 30 . 1 . 1 3 3 LEU CD1 C 13 25.209 0.028 . 2 . . 1365 . . 504 LEU CD1 . 25111 1 31 . 1 . 1 3 3 LEU CD2 C 13 23.605 0.03 . 2 . . 1457 . . 504 LEU CD2 . 25111 1 32 . 1 . 1 3 3 LEU N N 15 121.782 0.024 . 1 . . 1664 . . 504 LEU N . 25111 1 33 . 1 . 1 4 4 GLY H H 1 8.310 0.005 . 1 . . 1726 . . 505 GLY H . 25111 1 34 . 1 . 1 4 4 GLY HA2 H 1 3.980 0.004 . 2 . . 510 . . 505 GLY HA2 . 25111 1 35 . 1 . 1 4 4 GLY HA3 H 1 3.977 0.022 . 2 . . 1273 . . 505 GLY HA3 . 25111 1 36 . 1 . 1 4 4 GLY C C 13 174.698 0.2 . 1 . . 609 . . 505 GLY C . 25111 1 37 . 1 . 1 4 4 GLY CA C 13 45.480 0.042 . 1 . . 465 . . 505 GLY CA . 25111 1 38 . 1 . 1 4 4 GLY N N 15 109.167 0.015 . 1 . . 1725 . . 505 GLY N . 25111 1 39 . 1 . 1 5 5 SER H H 1 8.374 0.005 . 1 . . 1748 . . 506 SER H . 25111 1 40 . 1 . 1 5 5 SER HA H 1 4.279 0.008 . 1 . . 554 . . 506 SER HA . 25111 1 41 . 1 . 1 5 5 SER HB2 H 1 3.880 0.012 . 2 . . 766 . . 506 SER HB2 . 25111 1 42 . 1 . 1 5 5 SER HB3 H 1 3.848 0.007 . 2 . . 767 . . 506 SER HB3 . 25111 1 43 . 1 . 1 5 5 SER HG H 1 4.778 0.005 . 1 . . 1615 . . 506 SER HG . 25111 1 44 . 1 . 1 5 5 SER C C 13 175.267 0.2 . 1 . . 610 . . 506 SER C . 25111 1 45 . 1 . 1 5 5 SER CA C 13 59.699 0.024 . 1 . . 397 . . 506 SER CA . 25111 1 46 . 1 . 1 5 5 SER CB C 13 63.716 0.05 . 1 . . 398 . . 506 SER CB . 25111 1 47 . 1 . 1 5 5 SER N N 15 115.965 0.013 . 1 . . 1747 . . 506 SER N . 25111 1 48 . 1 . 1 6 6 ASN H H 1 8.632 0.009 . 1 . . 1777 . . 507 ASN H . 25111 1 49 . 1 . 1 6 6 ASN HA H 1 4.659 0.008 . 1 . . 479 . . 507 ASN HA . 25111 1 50 . 1 . 1 6 6 ASN HB2 H 1 2.891 0.008 . 2 . . 1018 . . 507 ASN HB2 . 25111 1 51 . 1 . 1 6 6 ASN HB3 H 1 2.890 0.008 . 2 . . 1529 . . 507 ASN HB3 . 25111 1 52 . 1 . 1 6 6 ASN HD21 H 1 7.713 0.003 . 1 . . 1775 . . 507 ASN HD21 . 25111 1 53 . 1 . 1 6 6 ASN HD22 H 1 6.977 0.009 . 1 . . 1776 . . 507 ASN HD22 . 25111 1 54 . 1 . 1 6 6 ASN C C 13 176.568 0.2 . 1 . . 611 . . 507 ASN C . 25111 1 55 . 1 . 1 6 6 ASN CA C 13 54.270 0.032 . 1 . . 400 . . 507 ASN CA . 25111 1 56 . 1 . 1 6 6 ASN CB C 13 38.344 0.048 . 1 . . 399 . . 507 ASN CB . 25111 1 57 . 1 . 1 6 6 ASN N N 15 120.303 0.031 . 1 . . 1773 . . 507 ASN N . 25111 1 58 . 1 . 1 6 6 ASN ND2 N 15 112.991 0.028 . 1 . . 1774 . . 507 ASN ND2 . 25111 1 59 . 1 . 1 7 7 CYS H H 1 8.219 0.006 . 1 . . 1828 . . 508 CYS H . 25111 1 60 . 1 . 1 7 7 CYS HA H 1 3.913 0.01 . 1 . . 540 . . 508 CYS HA . 25111 1 61 . 1 . 1 7 7 CYS HB2 H 1 2.487 0.005 . 2 . . 768 . . 508 CYS HB2 . 25111 1 62 . 1 . 1 7 7 CYS HB3 H 1 2.339 0.004 . 2 . . 769 . . 508 CYS HB3 . 25111 1 63 . 1 . 1 7 7 CYS C C 13 175.138 0.2 . 1 . . 612 . . 508 CYS C . 25111 1 64 . 1 . 1 7 7 CYS CA C 13 61.914 0.035 . 1 . . 418 . . 508 CYS CA . 25111 1 65 . 1 . 1 7 7 CYS CB C 13 27.032 0.044 . 1 . . 417 . . 508 CYS CB . 25111 1 66 . 1 . 1 7 7 CYS N N 15 118.723 0.025 . 1 . . 1827 . . 508 CYS N . 25111 1 67 . 1 . 1 8 8 ARG H H 1 8.069 0.006 . 1 . . 1854 . . 509 ARG H . 25111 1 68 . 1 . 1 8 8 ARG HA H 1 3.508 0.005 . 1 . . 1019 . . 509 ARG HA . 25111 1 69 . 1 . 1 8 8 ARG HB2 H 1 1.709 0.007 . 2 . . 1020 . . 509 ARG HB2 . 25111 1 70 . 1 . 1 8 8 ARG HB3 H 1 1.707 0.002 . 2 . . 1530 . . 509 ARG HB3 . 25111 1 71 . 1 . 1 8 8 ARG HG2 H 1 1.295 0.006 . 2 . . 1021 . . 509 ARG HG2 . 25111 1 72 . 1 . 1 8 8 ARG HG3 H 1 1.479 0.008 . 2 . . 1022 . . 509 ARG HG3 . 25111 1 73 . 1 . 1 8 8 ARG HD2 H 1 3.024 0.006 . 2 . . 1024 . . 509 ARG HD2 . 25111 1 74 . 1 . 1 8 8 ARG HD3 H 1 3.166 0.004 . 2 . . 1025 . . 509 ARG HD3 . 25111 1 75 . 1 . 1 8 8 ARG HE H 1 7.299 0.015 . 1 . . 1853 . . 509 ARG HE . 25111 1 76 . 1 . 1 8 8 ARG C C 13 177.257 0.2 . 1 . . 613 . . 509 ARG C . 25111 1 77 . 1 . 1 8 8 ARG CA C 13 60.496 0.02 . 1 . . 568 . . 509 ARG CA . 25111 1 78 . 1 . 1 8 8 ARG CB C 13 29.588 0.071 . 1 . . 296 . . 509 ARG CB . 25111 1 79 . 1 . 1 8 8 ARG CG C 13 28.426 0.012 . 1 . . 1023 . . 509 ARG CG . 25111 1 80 . 1 . 1 8 8 ARG CD C 13 42.838 0.044 . 1 . . 1026 . . 509 ARG CD . 25111 1 81 . 1 . 1 8 8 ARG N N 15 120.442 0.035 . 1 . . 1852 . . 509 ARG N . 25111 1 82 . 1 . 1 8 8 ARG NE N 15 83.884 0.038 . 1 . . 1855 . . 509 ARG NE . 25111 1 83 . 1 . 1 9 9 LYS H H 1 7.800 0.004 . 1 . . 1902 . . 510 LYS H . 25111 1 84 . 1 . 1 9 9 LYS HA H 1 3.937 0.005 . 1 . . 537 . . 510 LYS HA . 25111 1 85 . 1 . 1 9 9 LYS HB2 H 1 1.814 0.004 . 2 . . 770 . . 510 LYS HB2 . 25111 1 86 . 1 . 1 9 9 LYS HB3 H 1 1.823 0.013 . 2 . . 1550 . . 510 LYS HB3 . 25111 1 87 . 1 . 1 9 9 LYS HG2 H 1 1.472 0.008 . 2 . . 771 . . 510 LYS HG2 . 25111 1 88 . 1 . 1 9 9 LYS HG3 H 1 1.395 0.009 . 2 . . 772 . . 510 LYS HG3 . 25111 1 89 . 1 . 1 9 9 LYS HD2 H 1 1.680 0.014 . 2 . . 1239 . . 510 LYS HD2 . 25111 1 90 . 1 . 1 9 9 LYS HD3 H 1 1.670 0.006 . 2 . . 1551 . . 510 LYS HD3 . 25111 1 91 . 1 . 1 9 9 LYS HE2 H 1 2.985 0.003 . 2 . . 1241 . . 510 LYS HE2 . 25111 1 92 . 1 . 1 9 9 LYS HE3 H 1 2.984 0.004 . 2 . . 1552 . . 510 LYS HE3 . 25111 1 93 . 1 . 1 9 9 LYS C C 13 178.768 0.2 . 1 . . 614 . . 510 LYS C . 25111 1 94 . 1 . 1 9 9 LYS CA C 13 58.988 0.036 . 1 . . 295 . . 510 LYS CA . 25111 1 95 . 1 . 1 9 9 LYS CB C 13 32.351 0.056 . 1 . . 294 . . 510 LYS CB . 25111 1 96 . 1 . 1 9 9 LYS CG C 13 25.190 0.05 . 1 . . 1027 . . 510 LYS CG . 25111 1 97 . 1 . 1 9 9 LYS CD C 13 29.291 0.101 . 1 . . 1240 . . 510 LYS CD . 25111 1 98 . 1 . 1 9 9 LYS CE C 13 42.223 0.029 . 1 . . 1242 . . 510 LYS CE . 25111 1 99 . 1 . 1 9 9 LYS N N 15 116.819 0.019 . 1 . . 1901 . . 510 LYS N . 25111 1 100 . 1 . 1 10 10 LEU H H 1 7.387 0.005 . 1 . . 1951 . . 511 LEU H . 25111 1 101 . 1 . 1 10 10 LEU HA H 1 4.135 0.004 . 1 . . 532 . . 511 LEU HA . 25111 1 102 . 1 . 1 10 10 LEU HB2 H 1 1.576 0.007 . 2 . . 773 . . 511 LEU HB2 . 25111 1 103 . 1 . 1 10 10 LEU HB3 H 1 1.652 0.005 . 2 . . 774 . . 511 LEU HB3 . 25111 1 104 . 1 . 1 10 10 LEU HG H 1 1.647 0.006 . 1 . . 1274 . . 511 LEU HG . 25111 1 105 . 1 . 1 10 10 LEU HD11 H 1 0.966 0.006 . 1 . . 1276 . . 511 LEU HD11 . 25111 1 106 . 1 . 1 10 10 LEU HD12 H 1 0.966 0.006 . 1 . . 1276 . . 511 LEU HD12 . 25111 1 107 . 1 . 1 10 10 LEU HD13 H 1 0.966 0.006 . 1 . . 1276 . . 511 LEU HD13 . 25111 1 108 . 1 . 1 10 10 LEU C C 13 178.432 0.2 . 1 . . 615 . . 511 LEU C . 25111 1 109 . 1 . 1 10 10 LEU CA C 13 57.744 0.036 . 1 . . 291 . . 511 LEU CA . 25111 1 110 . 1 . 1 10 10 LEU CB C 13 41.939 0.029 . 1 . . 290 . . 511 LEU CB . 25111 1 111 . 1 . 1 10 10 LEU CG C 13 26.775 0.021 . 1 . . 1275 . . 511 LEU CG . 25111 1 112 . 1 . 1 10 10 LEU CD1 C 13 24.660 0.014 . 1 . . 1277 . . 511 LEU CD1 . 25111 1 113 . 1 . 1 10 10 LEU N N 15 118.963 0.021 . 1 . . 1950 . . 511 LEU N . 25111 1 114 . 1 . 1 11 11 VAL H H 1 7.289 0.005 . 1 . . 1862 . . 512 VAL H . 25111 1 115 . 1 . 1 11 11 VAL HA H 1 3.442 0.006 . 1 . . 477 . . 512 VAL HA . 25111 1 116 . 1 . 1 11 11 VAL HB H 1 1.527 0.006 . 1 . . 775 . . 512 VAL HB . 25111 1 117 . 1 . 1 11 11 VAL HG11 H 1 0.170 0.008 . 2 . . 776 . . 512 VAL HG11 . 25111 1 118 . 1 . 1 11 11 VAL HG12 H 1 0.170 0.008 . 2 . . 776 . . 512 VAL HG12 . 25111 1 119 . 1 . 1 11 11 VAL HG13 H 1 0.170 0.008 . 2 . . 776 . . 512 VAL HG13 . 25111 1 120 . 1 . 1 11 11 VAL HG21 H 1 0.164 0.004 . 2 . . 1561 . . 512 VAL HG21 . 25111 1 121 . 1 . 1 11 11 VAL HG22 H 1 0.164 0.004 . 2 . . 1561 . . 512 VAL HG22 . 25111 1 122 . 1 . 1 11 11 VAL HG23 H 1 0.164 0.004 . 2 . . 1561 . . 512 VAL HG23 . 25111 1 123 . 1 . 1 11 11 VAL C C 13 177.151 0.2 . 1 . . 616 . . 512 VAL C . 25111 1 124 . 1 . 1 11 11 VAL CA C 13 64.819 0.035 . 1 . . 293 . . 512 VAL CA . 25111 1 125 . 1 . 1 11 11 VAL CB C 13 31.634 0.059 . 1 . . 292 . . 512 VAL CB . 25111 1 126 . 1 . 1 11 11 VAL CG1 C 13 20.930 0.023 . 2 . . 1252 . . 512 VAL CG1 . 25111 1 127 . 1 . 1 11 11 VAL CG2 C 13 21.631 0.053 . 2 . . 1562 . . 512 VAL CG2 . 25111 1 128 . 1 . 1 11 11 VAL N N 15 115.775 0.02 . 1 . . 1861 . . 512 VAL N . 25111 1 129 . 1 . 1 12 12 ALA H H 1 8.051 0.005 . 1 . . 1892 . . 513 ALA H . 25111 1 130 . 1 . 1 12 12 ALA HA H 1 3.972 0.005 . 1 . . 726 . . 513 ALA HA . 25111 1 131 . 1 . 1 12 12 ALA HB1 H 1 1.415 0.005 . 1 . . 777 . . 513 ALA HB1 . 25111 1 132 . 1 . 1 12 12 ALA HB2 H 1 1.415 0.005 . 1 . . 777 . . 513 ALA HB2 . 25111 1 133 . 1 . 1 12 12 ALA HB3 H 1 1.415 0.005 . 1 . . 777 . . 513 ALA HB3 . 25111 1 134 . 1 . 1 12 12 ALA C C 13 177.613 0.2 . 1 . . 617 . . 513 ALA C . 25111 1 135 . 1 . 1 12 12 ALA CA C 13 53.951 0.043 . 1 . . 349 . . 513 ALA CA . 25111 1 136 . 1 . 1 12 12 ALA CB C 13 18.464 0.039 . 1 . . 348 . . 513 ALA CB . 25111 1 137 . 1 . 1 12 12 ALA N N 15 117.842 0.028 . 1 . . 1891 . . 513 ALA N . 25111 1 138 . 1 . 1 13 13 SER H H 1 7.403 0.006 . 1 . . 1916 . . 514 SER H . 25111 1 139 . 1 . 1 13 13 SER HA H 1 4.412 0.004 . 1 . . 548 . . 514 SER HA . 25111 1 140 . 1 . 1 13 13 SER HB2 H 1 4.144 0.009 . 2 . . 778 . . 514 SER HB2 . 25111 1 141 . 1 . 1 13 13 SER HB3 H 1 4.202 0.008 . 2 . . 779 . . 514 SER HB3 . 25111 1 142 . 1 . 1 13 13 SER HG H 1 8.120 0.012 . 1 . . 1622 . . 514 SER HG . 25111 1 143 . 1 . 1 13 13 SER C C 13 174.320 0.2 . 1 . . 618 . . 514 SER C . 25111 1 144 . 1 . 1 13 13 SER CA C 13 59.386 0.014 . 1 . . 395 . . 514 SER CA . 25111 1 145 . 1 . 1 13 13 SER CB C 13 64.035 0.046 . 1 . . 394 . . 514 SER CB . 25111 1 146 . 1 . 1 13 13 SER N N 15 110.136 0.018 . 1 . . 1915 . . 514 SER N . 25111 1 147 . 1 . 1 14 14 MET H H 1 7.750 0.006 . 1 . . 1943 . . 515 MET H . 25111 1 148 . 1 . 1 14 14 MET HA H 1 4.548 0.005 . 1 . . 497 . . 515 MET HA . 25111 1 149 . 1 . 1 14 14 MET HB2 H 1 2.242 0.004 . 2 . . 780 . . 515 MET HB2 . 25111 1 150 . 1 . 1 14 14 MET HB3 H 1 1.907 0.007 . 2 . . 781 . . 515 MET HB3 . 25111 1 151 . 1 . 1 14 14 MET HG2 H 1 1.590 0.01 . 2 . . 782 . . 515 MET HG2 . 25111 1 152 . 1 . 1 14 14 MET HG3 H 1 2.115 0.009 . 2 . . 783 . . 515 MET HG3 . 25111 1 153 . 1 . 1 14 14 MET HE1 H 1 1.441 0.004 . 1 . . 1569 . . 515 MET HE1 . 25111 1 154 . 1 . 1 14 14 MET HE2 H 1 1.441 0.004 . 1 . . 1569 . . 515 MET HE2 . 25111 1 155 . 1 . 1 14 14 MET HE3 H 1 1.441 0.004 . 1 . . 1569 . . 515 MET HE3 . 25111 1 156 . 1 . 1 14 14 MET CA C 13 54.268 0.029 . 1 . . 406 . . 515 MET CA . 25111 1 157 . 1 . 1 14 14 MET CB C 13 33.580 0.034 . 1 . . 455 . . 515 MET CB . 25111 1 158 . 1 . 1 14 14 MET CG C 13 32.867 0.016 . 1 . . 784 . . 515 MET CG . 25111 1 159 . 1 . 1 14 14 MET CE C 13 18.261 0.017 . 1 . . 1570 . . 515 MET CE . 25111 1 160 . 1 . 1 14 14 MET N N 15 126.465 0.019 . 1 . . 1942 . . 515 MET N . 25111 1 161 . 1 . 1 15 15 PRO HA H 1 4.208 0.007 . 1 . . 759 . . 516 PRO HA . 25111 1 162 . 1 . 1 15 15 PRO HB2 H 1 1.899 0.01 . 2 . . 785 . . 516 PRO HB2 . 25111 1 163 . 1 . 1 15 15 PRO HB3 H 1 2.399 0.003 . 2 . . 786 . . 516 PRO HB3 . 25111 1 164 . 1 . 1 15 15 PRO HG2 H 1 2.125 0.002 . 2 . . 1028 . . 516 PRO HG2 . 25111 1 165 . 1 . 1 15 15 PRO HG3 H 1 2.128 0.003 . 2 . . 1223 . . 516 PRO HG3 . 25111 1 166 . 1 . 1 15 15 PRO HD2 H 1 4.252 0.005 . 2 . . 1220 . . 516 PRO HD2 . 25111 1 167 . 1 . 1 15 15 PRO HD3 H 1 3.631 0.006 . 2 . . 1222 . . 516 PRO HD3 . 25111 1 168 . 1 . 1 15 15 PRO C C 13 177.909 0.2 . 1 . . 620 . . 516 PRO C . 25111 1 169 . 1 . 1 15 15 PRO CA C 13 66.189 0.018 . 1 . . 597 . . 516 PRO CA . 25111 1 170 . 1 . 1 15 15 PRO CB C 13 32.338 0.02 . 1 . . 787 . . 516 PRO CB . 25111 1 171 . 1 . 1 15 15 PRO CG C 13 27.811 0.017 . 1 . . 1224 . . 516 PRO CG . 25111 1 172 . 1 . 1 15 15 PRO CD C 13 51.799 0.032 . 1 . . 1221 . . 516 PRO CD . 25111 1 173 . 1 . 1 16 16 LEU H H 1 7.372 0.005 . 1 . . 1724 . . 517 LEU H . 25111 1 174 . 1 . 1 16 16 LEU HA H 1 3.927 0.006 . 1 . . 727 . . 517 LEU HA . 25111 1 175 . 1 . 1 16 16 LEU HB2 H 1 0.929 0.005 . 2 . . 764 . . 517 LEU HB2 . 25111 1 176 . 1 . 1 16 16 LEU HB3 H 1 1.045 0.005 . 2 . . 765 . . 517 LEU HB3 . 25111 1 177 . 1 . 1 16 16 LEU HG H 1 1.165 0.012 . 1 . . 788 . . 517 LEU HG . 25111 1 178 . 1 . 1 16 16 LEU HD11 H 1 0.421 0.006 . 2 . . 1030 . . 517 LEU HD11 . 25111 1 179 . 1 . 1 16 16 LEU HD12 H 1 0.421 0.006 . 2 . . 1030 . . 517 LEU HD12 . 25111 1 180 . 1 . 1 16 16 LEU HD13 H 1 0.421 0.006 . 2 . . 1030 . . 517 LEU HD13 . 25111 1 181 . 1 . 1 16 16 LEU HD21 H 1 0.544 0.006 . 2 . . 1031 . . 517 LEU HD21 . 25111 1 182 . 1 . 1 16 16 LEU HD22 H 1 0.544 0.006 . 2 . . 1031 . . 517 LEU HD22 . 25111 1 183 . 1 . 1 16 16 LEU HD23 H 1 0.544 0.006 . 2 . . 1031 . . 517 LEU HD23 . 25111 1 184 . 1 . 1 16 16 LEU C C 13 176.896 0.2 . 1 . . 619 . . 517 LEU C . 25111 1 185 . 1 . 1 16 16 LEU CA C 13 57.177 0.032 . 1 . . 415 . . 517 LEU CA . 25111 1 186 . 1 . 1 16 16 LEU CB C 13 42.224 0.029 . 1 . . 457 . . 517 LEU CB . 25111 1 187 . 1 . 1 16 16 LEU CG C 13 26.836 0.019 . 1 . . 1029 . . 517 LEU CG . 25111 1 188 . 1 . 1 16 16 LEU CD1 C 13 23.935 0.018 . 2 . . 1032 . . 517 LEU CD1 . 25111 1 189 . 1 . 1 16 16 LEU CD2 C 13 24.522 0.016 . 2 . . 1033 . . 517 LEU CD2 . 25111 1 190 . 1 . 1 16 16 LEU N N 15 114.874 0.033 . 1 . . 1723 . . 517 LEU N . 25111 1 191 . 1 . 1 17 17 PHE H H 1 7.544 0.005 . 1 . . 1772 . . 518 PHE H . 25111 1 192 . 1 . 1 17 17 PHE HA H 1 4.796 0.006 . 1 . . 527 . . 518 PHE HA . 25111 1 193 . 1 . 1 17 17 PHE HB2 H 1 3.184 0.005 . 2 . . 1278 . . 518 PHE HB2 . 25111 1 194 . 1 . 1 17 17 PHE HB3 H 1 3.190 0.006 . 2 . . 1531 . . 518 PHE HB3 . 25111 1 195 . 1 . 1 17 17 PHE HD1 H 1 7.314 0.009 . 3 . . 1414 . . 518 PHE HD1 . 25111 1 196 . 1 . 1 17 17 PHE HD2 H 1 7.314 0.009 . 3 . . 1414 . . 518 PHE HD2 . 25111 1 197 . 1 . 1 17 17 PHE HE1 H 1 7.181 0.009 . 3 . . 1459 . . 518 PHE HE1 . 25111 1 198 . 1 . 1 17 17 PHE HE2 H 1 7.181 0.009 . 3 . . 1459 . . 518 PHE HE2 . 25111 1 199 . 1 . 1 17 17 PHE HZ H 1 6.949 0.01 . 1 . . 1461 . . 518 PHE HZ . 25111 1 200 . 1 . 1 17 17 PHE C C 13 176.771 0.2 . 1 . . 621 . . 518 PHE C . 25111 1 201 . 1 . 1 17 17 PHE CA C 13 56.054 0.052 . 1 . . 416 . . 518 PHE CA . 25111 1 202 . 1 . 1 17 17 PHE CB C 13 39.054 0.038 . 1 . . 451 . . 518 PHE CB . 25111 1 203 . 1 . 1 17 17 PHE CD1 C 13 131.217 0.055 . 3 . . 1415 . . 518 PHE CD1 . 25111 1 204 . 1 . 1 17 17 PHE CD2 C 13 131.217 0.055 . 3 . . 1415 . . 518 PHE CD2 . 25111 1 205 . 1 . 1 17 17 PHE CE1 C 13 130.957 0.05 . 3 . . 1460 . . 518 PHE CE1 . 25111 1 206 . 1 . 1 17 17 PHE CE2 C 13 130.957 0.05 . 3 . . 1460 . . 518 PHE CE2 . 25111 1 207 . 1 . 1 17 17 PHE CZ C 13 128.703 0.042 . 1 . . 1462 . . 518 PHE CZ . 25111 1 208 . 1 . 1 17 17 PHE N N 15 112.224 0.025 . 1 . . 1771 . . 518 PHE N . 25111 1 209 . 1 . 1 18 18 ALA H H 1 7.680 0.005 . 1 . . 1750 . . 519 ALA H . 25111 1 210 . 1 . 1 18 18 ALA HA H 1 4.232 0.007 . 1 . . 728 . . 519 ALA HA . 25111 1 211 . 1 . 1 18 18 ALA HB1 H 1 1.435 0.004 . 1 . . 789 . . 519 ALA HB1 . 25111 1 212 . 1 . 1 18 18 ALA HB2 H 1 1.435 0.004 . 1 . . 789 . . 519 ALA HB2 . 25111 1 213 . 1 . 1 18 18 ALA HB3 H 1 1.435 0.004 . 1 . . 789 . . 519 ALA HB3 . 25111 1 214 . 1 . 1 18 18 ALA C C 13 178.412 0.2 . 1 . . 622 . . 519 ALA C . 25111 1 215 . 1 . 1 18 18 ALA CA C 13 55.173 0.034 . 1 . . 368 . . 519 ALA CA . 25111 1 216 . 1 . 1 18 18 ALA CB C 13 18.976 0.021 . 1 . . 367 . . 519 ALA CB . 25111 1 217 . 1 . 1 18 18 ALA N N 15 124.363 0.019 . 1 . . 1749 . . 519 ALA N . 25111 1 218 . 1 . 1 19 19 ASN H H 1 8.412 0.005 . 1 . . 1692 . . 520 ASN H . 25111 1 219 . 1 . 1 19 19 ASN HA H 1 4.804 0.007 . 1 . . 729 . . 520 ASN HA . 25111 1 220 . 1 . 1 19 19 ASN HB2 H 1 2.930 0.004 . 2 . . 790 . . 520 ASN HB2 . 25111 1 221 . 1 . 1 19 19 ASN HB3 H 1 2.659 0.004 . 2 . . 791 . . 520 ASN HB3 . 25111 1 222 . 1 . 1 19 19 ASN HD21 H 1 7.568 0.004 . 1 . . 1693 . . 520 ASN HD21 . 25111 1 223 . 1 . 1 19 19 ASN HD22 H 1 6.919 0.003 . 1 . . 1694 . . 520 ASN HD22 . 25111 1 224 . 1 . 1 19 19 ASN C C 13 174.541 0.2 . 1 . . 623 . . 520 ASN C . 25111 1 225 . 1 . 1 19 19 ASN CA C 13 52.717 0.059 . 1 . . 370 . . 520 ASN CA . 25111 1 226 . 1 . 1 19 19 ASN CB C 13 38.776 0.049 . 1 . . 369 . . 520 ASN CB . 25111 1 227 . 1 . 1 19 19 ASN N N 15 113.746 0.027 . 1 . . 1691 . . 520 ASN N . 25111 1 228 . 1 . 1 19 19 ASN ND2 N 15 113.437 0.019 . 1 . . 1695 . . 520 ASN ND2 . 25111 1 229 . 1 . 1 20 20 ALA H H 1 7.263 0.005 . 1 . . 1734 . . 521 ALA H . 25111 1 230 . 1 . 1 20 20 ALA HA H 1 4.208 0.005 . 1 . . 528 . . 521 ALA HA . 25111 1 231 . 1 . 1 20 20 ALA HB1 H 1 1.573 0.006 . 1 . . 792 . . 521 ALA HB1 . 25111 1 232 . 1 . 1 20 20 ALA HB2 H 1 1.573 0.006 . 1 . . 792 . . 521 ALA HB2 . 25111 1 233 . 1 . 1 20 20 ALA HB3 H 1 1.573 0.006 . 1 . . 792 . . 521 ALA HB3 . 25111 1 234 . 1 . 1 20 20 ALA C C 13 176.402 0.2 . 1 . . 624 . . 521 ALA C . 25111 1 235 . 1 . 1 20 20 ALA CA C 13 51.586 0.021 . 1 . . 351 . . 521 ALA CA . 25111 1 236 . 1 . 1 20 20 ALA CB C 13 20.752 0.018 . 1 . . 350 . . 521 ALA CB . 25111 1 237 . 1 . 1 20 20 ALA N N 15 120.794 0.017 . 1 . . 1733 . . 521 ALA N . 25111 1 238 . 1 . 1 21 21 ASP H H 1 7.524 0.006 . 1 . . 1762 . . 522 ASP H . 25111 1 239 . 1 . 1 21 21 ASP HA H 1 4.699 0.004 . 1 . . 755 . . 522 ASP HA . 25111 1 240 . 1 . 1 21 21 ASP HB2 H 1 2.584 0.007 . 2 . . 793 . . 522 ASP HB2 . 25111 1 241 . 1 . 1 21 21 ASP HB3 H 1 2.785 0.007 . 2 . . 794 . . 522 ASP HB3 . 25111 1 242 . 1 . 1 21 21 ASP CA C 13 52.494 0.044 . 1 . . 353 . . 522 ASP CA . 25111 1 243 . 1 . 1 21 21 ASP CB C 13 42.243 0.058 . 1 . . 352 . . 522 ASP CB . 25111 1 244 . 1 . 1 21 21 ASP N N 15 121.974 0.014 . 1 . . 1761 . . 522 ASP N . 25111 1 245 . 1 . 1 22 22 PRO HA H 1 4.185 0.007 . 1 . . 760 . . 523 PRO HA . 25111 1 246 . 1 . 1 22 22 PRO HB2 H 1 1.943 0.008 . 2 . . 1034 . . 523 PRO HB2 . 25111 1 247 . 1 . 1 22 22 PRO HB3 H 1 2.351 0.006 . 2 . . 1035 . . 523 PRO HB3 . 25111 1 248 . 1 . 1 22 22 PRO HG2 H 1 2.066 0.004 . 2 . . 1036 . . 523 PRO HG2 . 25111 1 249 . 1 . 1 22 22 PRO HG3 H 1 2.058 0.006 . 2 . . 1532 . . 523 PRO HG3 . 25111 1 250 . 1 . 1 22 22 PRO HD2 H 1 3.911 0.007 . 2 . . 1038 . . 523 PRO HD2 . 25111 1 251 . 1 . 1 22 22 PRO HD3 H 1 3.946 0.006 . 2 . . 1039 . . 523 PRO HD3 . 25111 1 252 . 1 . 1 22 22 PRO C C 13 179.153 0.2 . 1 . . 625 . . 523 PRO C . 25111 1 253 . 1 . 1 22 22 PRO CA C 13 65.262 0.023 . 1 . . 600 . . 523 PRO CA . 25111 1 254 . 1 . 1 22 22 PRO CB C 13 32.370 0.033 . 1 . . 601 . . 523 PRO CB . 25111 1 255 . 1 . 1 22 22 PRO CG C 13 27.620 0.024 . 1 . . 1037 . . 523 PRO CG . 25111 1 256 . 1 . 1 22 22 PRO CD C 13 51.287 0.014 . 1 . . 1040 . . 523 PRO CD . 25111 1 257 . 1 . 1 23 23 ASN H H 1 8.802 0.005 . 1 . . 1840 . . 524 ASN H . 25111 1 258 . 1 . 1 23 23 ASN HA H 1 4.426 0.007 . 1 . . 515 . . 524 ASN HA . 25111 1 259 . 1 . 1 23 23 ASN HB2 H 1 2.968 0.01 . 2 . . 795 . . 524 ASN HB2 . 25111 1 260 . 1 . 1 23 23 ASN HB3 H 1 3.050 0.004 . 2 . . 796 . . 524 ASN HB3 . 25111 1 261 . 1 . 1 23 23 ASN HD21 H 1 8.228 0.05 . 1 . . 1842 . . 524 ASN HD21 . 25111 1 262 . 1 . 1 23 23 ASN HD22 H 1 7.142 0.004 . 1 . . 1841 . . 524 ASN HD22 . 25111 1 263 . 1 . 1 23 23 ASN C C 13 177.670 0.2 . 1 . . 626 . . 524 ASN C . 25111 1 264 . 1 . 1 23 23 ASN CA C 13 56.098 0.029 . 1 . . 344 . . 524 ASN CA . 25111 1 265 . 1 . 1 23 23 ASN CB C 13 37.774 0.046 . 1 . . 345 . . 524 ASN CB . 25111 1 266 . 1 . 1 23 23 ASN N N 15 116.568 0.014 . 1 . . 1839 . . 524 ASN N . 25111 1 267 . 1 . 1 23 23 ASN ND2 N 15 115.529 0.017 . 1 . . 1843 . . 524 ASN ND2 . 25111 1 268 . 1 . 1 24 24 PHE H H 1 7.407 0.008 . 1 . . 1870 . . 525 PHE H . 25111 1 269 . 1 . 1 24 24 PHE HA H 1 3.282 0.008 . 1 . . 494 . . 525 PHE HA . 25111 1 270 . 1 . 1 24 24 PHE HB2 H 1 2.230 0.006 . 2 . . 797 . . 525 PHE HB2 . 25111 1 271 . 1 . 1 24 24 PHE HB3 H 1 3.247 0.008 . 2 . . 1279 . . 525 PHE HB3 . 25111 1 272 . 1 . 1 24 24 PHE HD1 H 1 6.856 0.012 . 3 . . 1402 . . 525 PHE HD1 . 25111 1 273 . 1 . 1 24 24 PHE HD2 H 1 6.856 0.012 . 3 . . 1402 . . 525 PHE HD2 . 25111 1 274 . 1 . 1 24 24 PHE HE1 H 1 6.893 0.01 . 3 . . 1463 . . 525 PHE HE1 . 25111 1 275 . 1 . 1 24 24 PHE HE2 H 1 6.893 0.01 . 3 . . 1463 . . 525 PHE HE2 . 25111 1 276 . 1 . 1 24 24 PHE HZ H 1 6.912 0.01 . 1 . . 1465 . . 525 PHE HZ . 25111 1 277 . 1 . 1 24 24 PHE C C 13 175.801 0.2 . 1 . . 627 . . 525 PHE C . 25111 1 278 . 1 . 1 24 24 PHE CA C 13 60.117 0.031 . 1 . . 347 . . 525 PHE CA . 25111 1 279 . 1 . 1 24 24 PHE CB C 13 38.620 0.044 . 1 . . 346 . . 525 PHE CB . 25111 1 280 . 1 . 1 24 24 PHE CD1 C 13 132.159 0.033 . 3 . . 1403 . . 525 PHE CD1 . 25111 1 281 . 1 . 1 24 24 PHE CD2 C 13 132.159 0.033 . 3 . . 1403 . . 525 PHE CD2 . 25111 1 282 . 1 . 1 24 24 PHE CE1 C 13 130.637 0.051 . 3 . . 1464 . . 525 PHE CE1 . 25111 1 283 . 1 . 1 24 24 PHE CE2 C 13 130.637 0.051 . 3 . . 1464 . . 525 PHE CE2 . 25111 1 284 . 1 . 1 24 24 PHE CZ C 13 129.555 0.037 . 1 . . 1517 . . 525 PHE CZ . 25111 1 285 . 1 . 1 24 24 PHE N N 15 123.342 0.014 . 1 . . 1869 . . 525 PHE N . 25111 1 286 . 1 . 1 25 25 VAL H H 1 7.488 0.006 . 1 . . 1910 . . 526 VAL H . 25111 1 287 . 1 . 1 25 25 VAL HA H 1 2.895 0.006 . 1 . . 730 . . 526 VAL HA . 25111 1 288 . 1 . 1 25 25 VAL HB H 1 2.059 0.006 . 1 . . 798 . . 526 VAL HB . 25111 1 289 . 1 . 1 25 25 VAL HG11 H 1 0.666 0.004 . 2 . . 799 . . 526 VAL HG11 . 25111 1 290 . 1 . 1 25 25 VAL HG12 H 1 0.666 0.004 . 2 . . 799 . . 526 VAL HG12 . 25111 1 291 . 1 . 1 25 25 VAL HG13 H 1 0.666 0.004 . 2 . . 799 . . 526 VAL HG13 . 25111 1 292 . 1 . 1 25 25 VAL HG21 H 1 1.044 0.006 . 2 . . 800 . . 526 VAL HG21 . 25111 1 293 . 1 . 1 25 25 VAL HG22 H 1 1.044 0.006 . 2 . . 800 . . 526 VAL HG22 . 25111 1 294 . 1 . 1 25 25 VAL HG23 H 1 1.044 0.006 . 2 . . 800 . . 526 VAL HG23 . 25111 1 295 . 1 . 1 25 25 VAL C C 13 177.116 0.2 . 1 . . 628 . . 526 VAL C . 25111 1 296 . 1 . 1 25 25 VAL CA C 13 67.494 0.026 . 1 . . 374 . . 526 VAL CA . 25111 1 297 . 1 . 1 25 25 VAL CB C 13 31.307 0.053 . 1 . . 373 . . 526 VAL CB . 25111 1 298 . 1 . 1 25 25 VAL CG1 C 13 20.977 0.017 . 2 . . 802 . . 526 VAL CG1 . 25111 1 299 . 1 . 1 25 25 VAL CG2 C 13 23.768 0.032 . 2 . . 801 . . 526 VAL CG2 . 25111 1 300 . 1 . 1 25 25 VAL N N 15 119.002 0.012 . 1 . . 1909 . . 526 VAL N . 25111 1 301 . 1 . 1 26 26 THR H H 1 8.221 0.005 . 1 . . 1949 . . 527 THR H . 25111 1 302 . 1 . 1 26 26 THR HA H 1 3.554 0.005 . 1 . . 487 . . 527 THR HA . 25111 1 303 . 1 . 1 26 26 THR HB H 1 4.206 0.006 . 1 . . 803 . . 527 THR HB . 25111 1 304 . 1 . 1 26 26 THR HG21 H 1 1.155 0.004 . 1 . . 805 . . 527 THR HG21 . 25111 1 305 . 1 . 1 26 26 THR HG22 H 1 1.155 0.004 . 1 . . 805 . . 527 THR HG22 . 25111 1 306 . 1 . 1 26 26 THR HG23 H 1 1.155 0.004 . 1 . . 805 . . 527 THR HG23 . 25111 1 307 . 1 . 1 26 26 THR C C 13 175.963 0.2 . 1 . . 629 . . 527 THR C . 25111 1 308 . 1 . 1 26 26 THR CA C 13 66.898 0.047 . 1 . . 402 . . 527 THR CA . 25111 1 309 . 1 . 1 26 26 THR CB C 13 68.709 0.063 . 1 . . 401 . . 527 THR CB . 25111 1 310 . 1 . 1 26 26 THR CG2 C 13 22.562 0.018 . 1 . . 804 . . 527 THR CG2 . 25111 1 311 . 1 . 1 26 26 THR N N 15 115.579 0.036 . 1 . . 1948 . . 527 THR N . 25111 1 312 . 1 . 1 27 27 ALA H H 1 7.542 0.005 . 1 . . 1671 . . 528 ALA H . 25111 1 313 . 1 . 1 27 27 ALA HA H 1 4.105 0.005 . 1 . . 505 . . 528 ALA HA . 25111 1 314 . 1 . 1 27 27 ALA HB1 H 1 1.468 0.007 . 1 . . 806 . . 528 ALA HB1 . 25111 1 315 . 1 . 1 27 27 ALA HB2 H 1 1.468 0.007 . 1 . . 806 . . 528 ALA HB2 . 25111 1 316 . 1 . 1 27 27 ALA HB3 H 1 1.468 0.007 . 1 . . 806 . . 528 ALA HB3 . 25111 1 317 . 1 . 1 27 27 ALA C C 13 180.493 0.2 . 1 . . 630 . . 528 ALA C . 25111 1 318 . 1 . 1 27 27 ALA CA C 13 55.004 0.024 . 1 . . 408 . . 528 ALA CA . 25111 1 319 . 1 . 1 27 27 ALA CB C 13 18.725 0.053 . 1 . . 407 . . 528 ALA CB . 25111 1 320 . 1 . 1 27 27 ALA N N 15 122.737 0.017 . 1 . . 1670 . . 528 ALA N . 25111 1 321 . 1 . 1 28 28 MET H H 1 8.042 0.004 . 1 . . 1707 . . 529 MET H . 25111 1 322 . 1 . 1 28 28 MET HA H 1 3.832 0.003 . 1 . . 756 . . 529 MET HA . 25111 1 323 . 1 . 1 28 28 MET HB2 H 1 1.552 0.007 . 2 . . 807 . . 529 MET HB2 . 25111 1 324 . 1 . 1 28 28 MET HB3 H 1 1.608 0.005 . 2 . . 808 . . 529 MET HB3 . 25111 1 325 . 1 . 1 28 28 MET HG2 H 1 2.000 0.008 . 2 . . 809 . . 529 MET HG2 . 25111 1 326 . 1 . 1 28 28 MET HG3 H 1 2.009 0.008 . 2 . . 1534 . . 529 MET HG3 . 25111 1 327 . 1 . 1 28 28 MET HE1 H 1 1.223 0.005 . 1 . . 1487 . . 529 MET HE1 . 25111 1 328 . 1 . 1 28 28 MET HE2 H 1 1.223 0.005 . 1 . . 1487 . . 529 MET HE2 . 25111 1 329 . 1 . 1 28 28 MET HE3 H 1 1.223 0.005 . 1 . . 1487 . . 529 MET HE3 . 25111 1 330 . 1 . 1 28 28 MET C C 13 178.739 0.2 . 1 . . 631 . . 529 MET C . 25111 1 331 . 1 . 1 28 28 MET CA C 13 57.770 0.039 . 1 . . 409 . . 529 MET CA . 25111 1 332 . 1 . 1 28 28 MET CB C 13 31.227 0.044 . 1 . . 449 . . 529 MET CB . 25111 1 333 . 1 . 1 28 28 MET CG C 13 32.003 0.031 . 1 . . 1280 . . 529 MET CG . 25111 1 334 . 1 . 1 28 28 MET CE C 13 17.817 0.016 . 1 . . 1488 . . 529 MET CE . 25111 1 335 . 1 . 1 28 28 MET N N 15 119.744 0.016 . 1 . . 1706 . . 529 MET N . 25111 1 336 . 1 . 1 29 29 LEU H H 1 8.002 0.004 . 1 . . 1758 . . 530 LEU H . 25111 1 337 . 1 . 1 29 29 LEU HA H 1 3.650 0.004 . 1 . . 559 . . 530 LEU HA . 25111 1 338 . 1 . 1 29 29 LEU HB2 H 1 1.350 0.007 . 2 . . 810 . . 530 LEU HB2 . 25111 1 339 . 1 . 1 29 29 LEU HB3 H 1 1.842 0.006 . 2 . . 811 . . 530 LEU HB3 . 25111 1 340 . 1 . 1 29 29 LEU HG H 1 1.855 0.006 . 1 . . 1281 . . 530 LEU HG . 25111 1 341 . 1 . 1 29 29 LEU HD11 H 1 0.418 0.004 . 2 . . 1283 . . 530 LEU HD11 . 25111 1 342 . 1 . 1 29 29 LEU HD12 H 1 0.418 0.004 . 2 . . 1283 . . 530 LEU HD12 . 25111 1 343 . 1 . 1 29 29 LEU HD13 H 1 0.418 0.004 . 2 . . 1283 . . 530 LEU HD13 . 25111 1 344 . 1 . 1 29 29 LEU HD21 H 1 0.645 0.005 . 2 . . 1284 . . 530 LEU HD21 . 25111 1 345 . 1 . 1 29 29 LEU HD22 H 1 0.645 0.005 . 2 . . 1284 . . 530 LEU HD22 . 25111 1 346 . 1 . 1 29 29 LEU HD23 H 1 0.645 0.005 . 2 . . 1284 . . 530 LEU HD23 . 25111 1 347 . 1 . 1 29 29 LEU C C 13 179.722 0.2 . 1 . . 632 . . 530 LEU C . 25111 1 348 . 1 . 1 29 29 LEU CA C 13 57.814 0.035 . 1 . . 569 . . 530 LEU CA . 25111 1 349 . 1 . 1 29 29 LEU CB C 13 40.854 0.043 . 1 . . 285 . . 530 LEU CB . 25111 1 350 . 1 . 1 29 29 LEU CG C 13 26.215 0.024 . 1 . . 1282 . . 530 LEU CG . 25111 1 351 . 1 . 1 29 29 LEU CD1 C 13 23.181 0.022 . 2 . . 1518 . . 530 LEU CD1 . 25111 1 352 . 1 . 1 29 29 LEU CD2 C 13 25.412 0.021 . 2 . . 1519 . . 530 LEU CD2 . 25111 1 353 . 1 . 1 29 29 LEU N N 15 116.300 0.026 . 1 . . 1757 . . 530 LEU N . 25111 1 354 . 1 . 1 30 30 THR H H 1 7.274 0.005 . 1 . . 1817 . . 531 THR H . 25111 1 355 . 1 . 1 30 30 THR HA H 1 4.153 0.004 . 1 . . 474 . . 531 THR HA . 25111 1 356 . 1 . 1 30 30 THR HB H 1 4.327 0.005 . 1 . . 1041 . . 531 THR HB . 25111 1 357 . 1 . 1 30 30 THR HG1 H 1 8.175 0.05 . 1 . . 1617 . . 531 THR HG1 . 25111 1 358 . 1 . 1 30 30 THR HG21 H 1 1.372 0.006 . 1 . . 1042 . . 531 THR HG21 . 25111 1 359 . 1 . 1 30 30 THR HG22 H 1 1.372 0.006 . 1 . . 1042 . . 531 THR HG22 . 25111 1 360 . 1 . 1 30 30 THR HG23 H 1 1.372 0.006 . 1 . . 1042 . . 531 THR HG23 . 25111 1 361 . 1 . 1 30 30 THR C C 13 175.467 0.2 . 1 . . 633 . . 531 THR C . 25111 1 362 . 1 . 1 30 30 THR CA C 13 64.068 0.04 . 1 . . 423 . . 531 THR CA . 25111 1 363 . 1 . 1 30 30 THR CB C 13 69.587 0.025 . 1 . . 424 . . 531 THR CB . 25111 1 364 . 1 . 1 30 30 THR CG2 C 13 21.712 0.021 . 1 . . 1043 . . 531 THR CG2 . 25111 1 365 . 1 . 1 30 30 THR N N 15 106.945 0.035 . 1 . . 1816 . . 531 THR N . 25111 1 366 . 1 . 1 31 31 LYS H H 1 7.632 0.005 . 1 . . 1673 . . 532 LYS H . 25111 1 367 . 1 . 1 31 31 LYS HA H 1 4.363 0.004 . 1 . . 552 . . 532 LYS HA . 25111 1 368 . 1 . 1 31 31 LYS HB2 H 1 1.879 0.01 . 2 . . 812 . . 532 LYS HB2 . 25111 1 369 . 1 . 1 31 31 LYS HB3 H 1 1.898 0.009 . 2 . . 1549 . . 532 LYS HB3 . 25111 1 370 . 1 . 1 31 31 LYS HG2 H 1 1.147 0.007 . 2 . . 1383 . . 532 LYS HG2 . 25111 1 371 . 1 . 1 31 31 LYS HG3 H 1 1.522 0.006 . 2 . . 1384 . . 532 LYS HG3 . 25111 1 372 . 1 . 1 31 31 LYS HD2 H 1 1.258 0.006 . 2 . . 1474 . . 532 LYS HD2 . 25111 1 373 . 1 . 1 31 31 LYS HD3 H 1 1.507 0.004 . 2 . . 1476 . . 532 LYS HD3 . 25111 1 374 . 1 . 1 31 31 LYS HE2 H 1 2.773 0.006 . 2 . . 1477 . . 532 LYS HE2 . 25111 1 375 . 1 . 1 31 31 LYS HE3 H 1 2.683 0.007 . 2 . . 1478 . . 532 LYS HE3 . 25111 1 376 . 1 . 1 31 31 LYS C C 13 177.001 0.2 . 1 . . 634 . . 532 LYS C . 25111 1 377 . 1 . 1 31 31 LYS CA C 13 53.583 0.028 . 1 . . 317 . . 532 LYS CA . 25111 1 378 . 1 . 1 31 31 LYS CB C 13 32.422 0.048 . 1 . . 318 . . 532 LYS CB . 25111 1 379 . 1 . 1 31 31 LYS CG C 13 23.861 0.028 . 1 . . 1382 . . 532 LYS CG . 25111 1 380 . 1 . 1 31 31 LYS CD C 13 27.664 0.04 . 1 . . 1475 . . 532 LYS CD . 25111 1 381 . 1 . 1 31 31 LYS CE C 13 42.492 0.025 . 1 . . 1479 . . 532 LYS CE . 25111 1 382 . 1 . 1 31 31 LYS N N 15 117.220 0.025 . 1 . . 1672 . . 532 LYS N . 25111 1 383 . 1 . 1 32 32 LEU H H 1 7.021 0.005 . 1 . . 1746 . . 533 LEU H . 25111 1 384 . 1 . 1 32 32 LEU HA H 1 4.769 0.005 . 1 . . 550 . . 533 LEU HA . 25111 1 385 . 1 . 1 32 32 LEU HB2 H 1 1.408 0.005 . 2 . . 1044 . . 533 LEU HB2 . 25111 1 386 . 1 . 1 32 32 LEU HB3 H 1 1.796 0.01 . 2 . . 1045 . . 533 LEU HB3 . 25111 1 387 . 1 . 1 32 32 LEU HG H 1 1.819 0.008 . 1 . . 1341 . . 533 LEU HG . 25111 1 388 . 1 . 1 32 32 LEU HD11 H 1 0.437 0.005 . 2 . . 1343 . . 533 LEU HD11 . 25111 1 389 . 1 . 1 32 32 LEU HD12 H 1 0.437 0.005 . 2 . . 1343 . . 533 LEU HD12 . 25111 1 390 . 1 . 1 32 32 LEU HD13 H 1 0.437 0.005 . 2 . . 1343 . . 533 LEU HD13 . 25111 1 391 . 1 . 1 32 32 LEU HD21 H 1 0.568 0.006 . 2 . . 1344 . . 533 LEU HD21 . 25111 1 392 . 1 . 1 32 32 LEU HD22 H 1 0.568 0.006 . 2 . . 1344 . . 533 LEU HD22 . 25111 1 393 . 1 . 1 32 32 LEU HD23 H 1 0.568 0.006 . 2 . . 1344 . . 533 LEU HD23 . 25111 1 394 . 1 . 1 32 32 LEU C C 13 177.509 0.2 . 1 . . 635 . . 533 LEU C . 25111 1 395 . 1 . 1 32 32 LEU CA C 13 55.591 0.046 . 1 . . 313 . . 533 LEU CA . 25111 1 396 . 1 . 1 32 32 LEU CB C 13 42.901 0.035 . 1 . . 314 . . 533 LEU CB . 25111 1 397 . 1 . 1 32 32 LEU CG C 13 27.030 0.008 . 1 . . 1342 . . 533 LEU CG . 25111 1 398 . 1 . 1 32 32 LEU CD1 C 13 25.881 0.022 . 2 . . 1345 . . 533 LEU CD1 . 25111 1 399 . 1 . 1 32 32 LEU CD2 C 13 23.734 0.028 . 2 . . 1346 . . 533 LEU CD2 . 25111 1 400 . 1 . 1 32 32 LEU N N 15 119.591 0.018 . 1 . . 1745 . . 533 LEU N . 25111 1 401 . 1 . 1 33 33 LYS H H 1 9.144 0.005 . 1 . . 1807 . . 534 LYS H . 25111 1 402 . 1 . 1 33 33 LYS HA H 1 4.863 0.005 . 1 . . 485 . . 534 LYS HA . 25111 1 403 . 1 . 1 33 33 LYS HB2 H 1 1.909 0.004 . 2 . . 813 . . 534 LYS HB2 . 25111 1 404 . 1 . 1 33 33 LYS HB3 H 1 2.048 0.004 . 2 . . 814 . . 534 LYS HB3 . 25111 1 405 . 1 . 1 33 33 LYS HG2 H 1 1.549 0.004 . 2 . . 815 . . 534 LYS HG2 . 25111 1 406 . 1 . 1 33 33 LYS HG3 H 1 1.408 0.004 . 2 . . 816 . . 534 LYS HG3 . 25111 1 407 . 1 . 1 33 33 LYS HD2 H 1 1.719 0.006 . 2 . . 818 . . 534 LYS HD2 . 25111 1 408 . 1 . 1 33 33 LYS HD3 H 1 1.724 0.007 . 2 . . 1547 . . 534 LYS HD3 . 25111 1 409 . 1 . 1 33 33 LYS HE2 H 1 3.038 0.004 . 2 . . 1348 . . 534 LYS HE2 . 25111 1 410 . 1 . 1 33 33 LYS HE3 H 1 3.040 0.005 . 2 . . 1548 . . 534 LYS HE3 . 25111 1 411 . 1 . 1 33 33 LYS C C 13 175.226 0.2 . 1 . . 636 . . 534 LYS C . 25111 1 412 . 1 . 1 33 33 LYS CA C 13 54.476 0.032 . 1 . . 316 . . 534 LYS CA . 25111 1 413 . 1 . 1 33 33 LYS CB C 13 34.456 0.046 . 1 . . 315 . . 534 LYS CB . 25111 1 414 . 1 . 1 33 33 LYS CG C 13 25.108 0.018 . 1 . . 817 . . 534 LYS CG . 25111 1 415 . 1 . 1 33 33 LYS CD C 13 29.119 0.034 . 1 . . 1347 . . 534 LYS CD . 25111 1 416 . 1 . 1 33 33 LYS CE C 13 42.594 0.028 . 1 . . 1349 . . 534 LYS CE . 25111 1 417 . 1 . 1 33 33 LYS N N 15 123.569 0.013 . 1 . . 1806 . . 534 LYS N . 25111 1 418 . 1 . 1 34 34 PHE H H 1 8.861 0.006 . 1 . . 1860 . . 535 PHE H . 25111 1 419 . 1 . 1 34 34 PHE HA H 1 4.730 0.008 . 1 . . 547 . . 535 PHE HA . 25111 1 420 . 1 . 1 34 34 PHE HB2 H 1 2.911 0.007 . 2 . . 819 . . 535 PHE HB2 . 25111 1 421 . 1 . 1 34 34 PHE HB3 H 1 3.009 0.007 . 2 . . 820 . . 535 PHE HB3 . 25111 1 422 . 1 . 1 34 34 PHE HD1 H 1 6.723 0.012 . 3 . . 1437 . . 535 PHE HD1 . 25111 1 423 . 1 . 1 34 34 PHE HD2 H 1 6.723 0.012 . 3 . . 1437 . . 535 PHE HD2 . 25111 1 424 . 1 . 1 34 34 PHE HE1 H 1 7.047 0.01 . 3 . . 1439 . . 535 PHE HE1 . 25111 1 425 . 1 . 1 34 34 PHE HE2 H 1 7.047 0.01 . 3 . . 1439 . . 535 PHE HE2 . 25111 1 426 . 1 . 1 34 34 PHE HZ H 1 7.026 0.012 . 1 . . 1441 . . 535 PHE HZ . 25111 1 427 . 1 . 1 34 34 PHE C C 13 175.134 0.2 . 1 . . 637 . . 535 PHE C . 25111 1 428 . 1 . 1 34 34 PHE CA C 13 57.693 0.047 . 1 . . 393 . . 535 PHE CA . 25111 1 429 . 1 . 1 34 34 PHE CB C 13 40.076 0.06 . 1 . . 392 . . 535 PHE CB . 25111 1 430 . 1 . 1 34 34 PHE CD1 C 13 131.767 0.06 . 3 . . 1438 . . 535 PHE CD1 . 25111 1 431 . 1 . 1 34 34 PHE CD2 C 13 131.767 0.06 . 3 . . 1438 . . 535 PHE CD2 . 25111 1 432 . 1 . 1 34 34 PHE CE1 C 13 130.808 0.04 . 3 . . 1440 . . 535 PHE CE1 . 25111 1 433 . 1 . 1 34 34 PHE CE2 C 13 130.808 0.04 . 3 . . 1440 . . 535 PHE CE2 . 25111 1 434 . 1 . 1 34 34 PHE CZ C 13 129.155 0.03 . 1 . . 1442 . . 535 PHE CZ . 25111 1 435 . 1 . 1 34 34 PHE N N 15 126.692 0.018 . 1 . . 1859 . . 535 PHE N . 25111 1 436 . 1 . 1 35 35 GLU H H 1 8.828 0.006 . 1 . . 1895 . . 536 GLU H . 25111 1 437 . 1 . 1 35 35 GLU HA H 1 4.371 0.004 . 1 . . 533 . . 536 GLU HA . 25111 1 438 . 1 . 1 35 35 GLU HB2 H 1 2.068 0.01 . 2 . . 821 . . 536 GLU HB2 . 25111 1 439 . 1 . 1 35 35 GLU HB3 H 1 1.555 0.005 . 2 . . 822 . . 536 GLU HB3 . 25111 1 440 . 1 . 1 35 35 GLU HG2 H 1 2.199 0.008 . 2 . . 823 . . 536 GLU HG2 . 25111 1 441 . 1 . 1 35 35 GLU HG3 H 1 2.123 0.008 . 2 . . 824 . . 536 GLU HG3 . 25111 1 442 . 1 . 1 35 35 GLU C C 13 172.870 0.2 . 1 . . 638 . . 536 GLU C . 25111 1 443 . 1 . 1 35 35 GLU CA C 13 55.945 0.032 . 1 . . 454 . . 536 GLU CA . 25111 1 444 . 1 . 1 35 35 GLU CB C 13 35.385 0.049 . 1 . . 453 . . 536 GLU CB . 25111 1 445 . 1 . 1 35 35 GLU CG C 13 36.671 0.037 . 1 . . 825 . . 536 GLU CG . 25111 1 446 . 1 . 1 35 35 GLU N N 15 128.875 0.018 . 1 . . 1894 . . 536 GLU N . 25111 1 447 . 1 . 1 36 36 VAL H H 1 7.678 0.004 . 1 . . 1937 . . 537 VAL H . 25111 1 448 . 1 . 1 36 36 VAL HA H 1 4.995 0.004 . 1 . . 531 . . 537 VAL HA . 25111 1 449 . 1 . 1 36 36 VAL HB H 1 1.700 0.007 . 1 . . 826 . . 537 VAL HB . 25111 1 450 . 1 . 1 36 36 VAL HG11 H 1 0.687 0.008 . 2 . . 827 . . 537 VAL HG11 . 25111 1 451 . 1 . 1 36 36 VAL HG12 H 1 0.687 0.008 . 2 . . 827 . . 537 VAL HG12 . 25111 1 452 . 1 . 1 36 36 VAL HG13 H 1 0.687 0.008 . 2 . . 827 . . 537 VAL HG13 . 25111 1 453 . 1 . 1 36 36 VAL HG21 H 1 0.677 0.005 . 2 . . 1254 . . 537 VAL HG21 . 25111 1 454 . 1 . 1 36 36 VAL HG22 H 1 0.677 0.005 . 2 . . 1254 . . 537 VAL HG22 . 25111 1 455 . 1 . 1 36 36 VAL HG23 H 1 0.677 0.005 . 2 . . 1254 . . 537 VAL HG23 . 25111 1 456 . 1 . 1 36 36 VAL C C 13 175.405 0.2 . 1 . . 639 . . 537 VAL C . 25111 1 457 . 1 . 1 36 36 VAL CA C 13 59.047 0.033 . 1 . . 289 . . 537 VAL CA . 25111 1 458 . 1 . 1 36 36 VAL CB C 13 34.685 0.031 . 1 . . 288 . . 537 VAL CB . 25111 1 459 . 1 . 1 36 36 VAL CG1 C 13 22.345 0.033 . 2 . . 1253 . . 537 VAL CG1 . 25111 1 460 . 1 . 1 36 36 VAL CG2 C 13 20.503 0.02 . 2 . . 1255 . . 537 VAL CG2 . 25111 1 461 . 1 . 1 36 36 VAL N N 15 116.276 0.021 . 1 . . 1936 . . 537 VAL N . 25111 1 462 . 1 . 1 37 37 PHE H H 1 8.222 0.006 . 1 . . 1845 . . 538 PHE H . 25111 1 463 . 1 . 1 37 37 PHE HA H 1 4.603 0.006 . 1 . . 524 . . 538 PHE HA . 25111 1 464 . 1 . 1 37 37 PHE HB2 H 1 3.093 0.005 . 2 . . 828 . . 538 PHE HB2 . 25111 1 465 . 1 . 1 37 37 PHE HB3 H 1 2.175 0.009 . 2 . . 829 . . 538 PHE HB3 . 25111 1 466 . 1 . 1 37 37 PHE HD1 H 1 6.998 0.011 . 3 . . 1446 . . 538 PHE HD1 . 25111 1 467 . 1 . 1 37 37 PHE HD2 H 1 6.998 0.011 . 3 . . 1446 . . 538 PHE HD2 . 25111 1 468 . 1 . 1 37 37 PHE HE1 H 1 7.223 0.009 . 3 . . 1448 . . 538 PHE HE1 . 25111 1 469 . 1 . 1 37 37 PHE HE2 H 1 7.223 0.009 . 3 . . 1448 . . 538 PHE HE2 . 25111 1 470 . 1 . 1 37 37 PHE HZ H 1 7.456 0.012 . 1 . . 1450 . . 538 PHE HZ . 25111 1 471 . 1 . 1 37 37 PHE C C 13 173.361 0.2 . 1 . . 640 . . 538 PHE C . 25111 1 472 . 1 . 1 37 37 PHE CA C 13 57.154 0.03 . 1 . . 287 . . 538 PHE CA . 25111 1 473 . 1 . 1 37 37 PHE CB C 13 43.743 0.041 . 1 . . 286 . . 538 PHE CB . 25111 1 474 . 1 . 1 37 37 PHE CD1 C 13 131.621 0.05 . 3 . . 1447 . . 538 PHE CD1 . 25111 1 475 . 1 . 1 37 37 PHE CD2 C 13 131.621 0.05 . 3 . . 1447 . . 538 PHE CD2 . 25111 1 476 . 1 . 1 37 37 PHE CE1 C 13 131.751 0.07 . 3 . . 1449 . . 538 PHE CE1 . 25111 1 477 . 1 . 1 37 37 PHE CE2 C 13 131.751 0.07 . 3 . . 1449 . . 538 PHE CE2 . 25111 1 478 . 1 . 1 37 37 PHE CZ C 13 130.399 0.042 . 1 . . 1451 . . 538 PHE CZ . 25111 1 479 . 1 . 1 37 37 PHE N N 15 121.000 0.026 . 1 . . 1844 . . 538 PHE N . 25111 1 480 . 1 . 1 38 38 GLN H H 1 8.900 0.005 . 1 . . 1797 . . 539 GLN H . 25111 1 481 . 1 . 1 38 38 GLN HA H 1 4.510 0.005 . 1 . . 475 . . 539 GLN HA . 25111 1 482 . 1 . 1 38 38 GLN HB2 H 1 1.807 0.006 . 2 . . 830 . . 539 GLN HB2 . 25111 1 483 . 1 . 1 38 38 GLN HB3 H 1 2.141 0.008 . 2 . . 831 . . 539 GLN HB3 . 25111 1 484 . 1 . 1 38 38 GLN HG2 H 1 2.458 0.008 . 2 . . 1046 . . 539 GLN HG2 . 25111 1 485 . 1 . 1 38 38 GLN HG3 H 1 2.491 0.005 . 2 . . 1047 . . 539 GLN HG3 . 25111 1 486 . 1 . 1 38 38 GLN HE21 H 1 7.711 0.006 . 1 . . 1798 . . 539 GLN HE21 . 25111 1 487 . 1 . 1 38 38 GLN HE22 H 1 6.804 0.004 . 1 . . 1799 . . 539 GLN HE22 . 25111 1 488 . 1 . 1 38 38 GLN CA C 13 52.960 0.041 . 1 . . 570 . . 539 GLN CA . 25111 1 489 . 1 . 1 38 38 GLN CB C 13 27.836 0.063 . 1 . . 571 . . 539 GLN CB . 25111 1 490 . 1 . 1 38 38 GLN CG C 13 33.166 0.2 . 1 . . 1048 . . 539 GLN CG . 25111 1 491 . 1 . 1 38 38 GLN N N 15 120.121 0.022 . 1 . . 1795 . . 539 GLN N . 25111 1 492 . 1 . 1 38 38 GLN NE2 N 15 111.616 0.026 . 1 . . 1796 . . 539 GLN NE2 . 25111 1 493 . 1 . 1 39 39 PRO HA H 1 3.499 0.003 . 1 . . 1049 . . 540 PRO HA . 25111 1 494 . 1 . 1 39 39 PRO HB2 H 1 1.938 0.003 . 2 . . 1050 . . 540 PRO HB2 . 25111 1 495 . 1 . 1 39 39 PRO HB3 H 1 1.806 0.007 . 2 . . 1051 . . 540 PRO HB3 . 25111 1 496 . 1 . 1 39 39 PRO HG2 H 1 2.148 0.004 . 2 . . 1052 . . 540 PRO HG2 . 25111 1 497 . 1 . 1 39 39 PRO HG3 H 1 1.790 0.009 . 2 . . 1285 . . 540 PRO HG3 . 25111 1 498 . 1 . 1 39 39 PRO HD2 H 1 3.255 0.006 . 2 . . 1054 . . 540 PRO HD2 . 25111 1 499 . 1 . 1 39 39 PRO HD3 H 1 3.691 0.006 . 2 . . 1055 . . 540 PRO HD3 . 25111 1 500 . 1 . 1 39 39 PRO C C 13 177.743 0.2 . 1 . . 641 . . 540 PRO C . 25111 1 501 . 1 . 1 39 39 PRO CA C 13 63.846 0.027 . 1 . . 598 . . 540 PRO CA . 25111 1 502 . 1 . 1 39 39 PRO CB C 13 31.082 0.032 . 1 . . 599 . . 540 PRO CB . 25111 1 503 . 1 . 1 39 39 PRO CG C 13 27.983 0.019 . 1 . . 1053 . . 540 PRO CG . 25111 1 504 . 1 . 1 39 39 PRO CD C 13 49.966 0.023 . 1 . . 1056 . . 540 PRO CD . 25111 1 505 . 1 . 1 40 40 GLY H H 1 8.996 0.004 . 1 . . 1947 . . 541 GLY H . 25111 1 506 . 1 . 1 40 40 GLY HA2 H 1 4.360 0.013 . 2 . . 514 . . 541 GLY HA2 . 25111 1 507 . 1 . 1 40 40 GLY HA3 H 1 3.414 0.005 . 2 . . 1067 . . 541 GLY HA3 . 25111 1 508 . 1 . 1 40 40 GLY C C 13 174.676 0.2 . 1 . . 642 . . 541 GLY C . 25111 1 509 . 1 . 1 40 40 GLY CA C 13 44.868 0.035 . 1 . . 443 . . 541 GLY CA . 25111 1 510 . 1 . 1 40 40 GLY N N 15 113.686 0.018 . 1 . . 1946 . . 541 GLY N . 25111 1 511 . 1 . 1 41 41 ASP H H 1 8.198 0.005 . 1 . . 1779 . . 542 ASP H . 25111 1 512 . 1 . 1 41 41 ASP HA H 1 4.586 0.004 . 1 . . 521 . . 542 ASP HA . 25111 1 513 . 1 . 1 41 41 ASP HB2 H 1 3.005 0.01 . 2 . . 832 . . 542 ASP HB2 . 25111 1 514 . 1 . 1 41 41 ASP HB3 H 1 2.723 0.007 . 2 . . 833 . . 542 ASP HB3 . 25111 1 515 . 1 . 1 41 41 ASP C C 13 176.497 0.2 . 1 . . 643 . . 542 ASP C . 25111 1 516 . 1 . 1 41 41 ASP CA C 13 55.184 0.032 . 1 . . 376 . . 542 ASP CA . 25111 1 517 . 1 . 1 41 41 ASP CB C 13 41.881 0.095 . 1 . . 377 . . 542 ASP CB . 25111 1 518 . 1 . 1 41 41 ASP N N 15 121.729 0.025 . 1 . . 1778 . . 542 ASP N . 25111 1 519 . 1 . 1 42 42 TYR H H 1 9.082 0.005 . 1 . . 1868 . . 543 TYR H . 25111 1 520 . 1 . 1 42 42 TYR HA H 1 4.382 0.007 . 1 . . 538 . . 543 TYR HA . 25111 1 521 . 1 . 1 42 42 TYR HB2 H 1 2.391 0.005 . 2 . . 834 . . 543 TYR HB2 . 25111 1 522 . 1 . 1 42 42 TYR HB3 H 1 2.893 0.008 . 2 . . 835 . . 543 TYR HB3 . 25111 1 523 . 1 . 1 42 42 TYR HD1 H 1 7.141 0.009 . 3 . . 1420 . . 543 TYR HD1 . 25111 1 524 . 1 . 1 42 42 TYR HD2 H 1 7.141 0.009 . 3 . . 1420 . . 543 TYR HD2 . 25111 1 525 . 1 . 1 42 42 TYR HE1 H 1 6.750 0.01 . 3 . . 1422 . . 543 TYR HE1 . 25111 1 526 . 1 . 1 42 42 TYR HE2 H 1 6.750 0.01 . 3 . . 1422 . . 543 TYR HE2 . 25111 1 527 . 1 . 1 42 42 TYR HH H 1 6.669 0.003 . 1 . . 1626 . . 543 TYR HH . 25111 1 528 . 1 . 1 42 42 TYR C C 13 175.409 0.2 . 1 . . 644 . . 543 TYR C . 25111 1 529 . 1 . 1 42 42 TYR CA C 13 59.730 0.039 . 1 . . 379 . . 543 TYR CA . 25111 1 530 . 1 . 1 42 42 TYR CB C 13 38.104 0.047 . 1 . . 378 . . 543 TYR CB . 25111 1 531 . 1 . 1 42 42 TYR CD1 C 13 132.610 0.026 . 3 . . 1421 . . 543 TYR CD1 . 25111 1 532 . 1 . 1 42 42 TYR CD2 C 13 132.610 0.026 . 3 . . 1421 . . 543 TYR CD2 . 25111 1 533 . 1 . 1 42 42 TYR CE1 C 13 118.022 0.08 . 3 . . 1595 . . 543 TYR CE1 . 25111 1 534 . 1 . 1 42 42 TYR CE2 C 13 118.022 0.08 . 3 . . 1595 . . 543 TYR CE2 . 25111 1 535 . 1 . 1 42 42 TYR N N 15 120.337 0.018 . 1 . . 1867 . . 543 TYR N . 25111 1 536 . 1 . 1 43 43 ILE H H 1 8.457 0.004 . 1 . . 1655 . . 544 ILE H . 25111 1 537 . 1 . 1 43 43 ILE HA H 1 3.228 0.007 . 1 . . 543 . . 544 ILE HA . 25111 1 538 . 1 . 1 43 43 ILE HB H 1 0.659 0.007 . 1 . . 836 . . 544 ILE HB . 25111 1 539 . 1 . 1 43 43 ILE HG12 H 1 0.572 0.008 . 2 . . 837 . . 544 ILE HG12 . 25111 1 540 . 1 . 1 43 43 ILE HG13 H 1 -1.045 0.003 . 2 . . 1243 . . 544 ILE HG13 . 25111 1 541 . 1 . 1 43 43 ILE HG21 H 1 -0.193 0.006 . 1 . . 838 . . 544 ILE HG21 . 25111 1 542 . 1 . 1 43 43 ILE HG22 H 1 -0.193 0.006 . 1 . . 838 . . 544 ILE HG22 . 25111 1 543 . 1 . 1 43 43 ILE HG23 H 1 -0.193 0.006 . 1 . . 838 . . 544 ILE HG23 . 25111 1 544 . 1 . 1 43 43 ILE HD11 H 1 0.136 0.006 . 1 . . 1245 . . 544 ILE HD11 . 25111 1 545 . 1 . 1 43 43 ILE HD12 H 1 0.136 0.006 . 1 . . 1245 . . 544 ILE HD12 . 25111 1 546 . 1 . 1 43 43 ILE HD13 H 1 0.136 0.006 . 1 . . 1245 . . 544 ILE HD13 . 25111 1 547 . 1 . 1 43 43 ILE C C 13 176.145 0.2 . 1 . . 645 . . 544 ILE C . 25111 1 548 . 1 . 1 43 43 ILE CA C 13 63.304 0.025 . 1 . . 421 . . 544 ILE CA . 25111 1 549 . 1 . 1 43 43 ILE CB C 13 39.649 0.034 . 1 . . 420 . . 544 ILE CB . 25111 1 550 . 1 . 1 43 43 ILE CG1 C 13 26.636 0.034 . 1 . . 1244 . . 544 ILE CG1 . 25111 1 551 . 1 . 1 43 43 ILE CG2 C 13 16.780 0.02 . 1 . . 839 . . 544 ILE CG2 . 25111 1 552 . 1 . 1 43 43 ILE CD1 C 13 16.033 0.022 . 1 . . 1246 . . 544 ILE CD1 . 25111 1 553 . 1 . 1 43 43 ILE N N 15 127.047 0.019 . 1 . . 1654 . . 544 ILE N . 25111 1 554 . 1 . 1 44 44 ILE H H 1 7.471 0.004 . 1 . . 1955 . . 545 ILE H . 25111 1 555 . 1 . 1 44 44 ILE HA H 1 4.437 0.008 . 1 . . 516 . . 545 ILE HA . 25111 1 556 . 1 . 1 44 44 ILE HB H 1 1.514 0.007 . 1 . . 840 . . 545 ILE HB . 25111 1 557 . 1 . 1 44 44 ILE HG12 H 1 1.247 0.011 . 2 . . 1350 . . 545 ILE HG12 . 25111 1 558 . 1 . 1 44 44 ILE HG13 H 1 1.526 0.006 . 2 . . 1351 . . 545 ILE HG13 . 25111 1 559 . 1 . 1 44 44 ILE HG21 H 1 1.056 0.006 . 1 . . 841 . . 545 ILE HG21 . 25111 1 560 . 1 . 1 44 44 ILE HG22 H 1 1.056 0.006 . 1 . . 841 . . 545 ILE HG22 . 25111 1 561 . 1 . 1 44 44 ILE HG23 H 1 1.056 0.006 . 1 . . 841 . . 545 ILE HG23 . 25111 1 562 . 1 . 1 44 44 ILE HD11 H 1 1.084 0.006 . 1 . . 1353 . . 545 ILE HD11 . 25111 1 563 . 1 . 1 44 44 ILE HD12 H 1 1.084 0.006 . 1 . . 1353 . . 545 ILE HD12 . 25111 1 564 . 1 . 1 44 44 ILE HD13 H 1 1.084 0.006 . 1 . . 1353 . . 545 ILE HD13 . 25111 1 565 . 1 . 1 44 44 ILE C C 13 175.342 0.2 . 1 . . 646 . . 545 ILE C . 25111 1 566 . 1 . 1 44 44 ILE CA C 13 60.228 0.031 . 1 . . 430 . . 545 ILE CA . 25111 1 567 . 1 . 1 44 44 ILE CB C 13 43.270 0.047 . 1 . . 572 . . 545 ILE CB . 25111 1 568 . 1 . 1 44 44 ILE CG1 C 13 28.160 0.041 . 1 . . 1352 . . 545 ILE CG1 . 25111 1 569 . 1 . 1 44 44 ILE CG2 C 13 18.202 0.028 . 1 . . 842 . . 545 ILE CG2 . 25111 1 570 . 1 . 1 44 44 ILE CD1 C 13 14.446 0.017 . 1 . . 1354 . . 545 ILE CD1 . 25111 1 571 . 1 . 1 44 44 ILE N N 15 113.620 0.038 . 1 . . 1954 . . 545 ILE N . 25111 1 572 . 1 . 1 45 45 ARG H H 1 8.710 0.005 . 1 . . 1699 . . 546 ARG H . 25111 1 573 . 1 . 1 45 45 ARG HA H 1 4.782 0.006 . 1 . . 733 . . 546 ARG HA . 25111 1 574 . 1 . 1 45 45 ARG HB2 H 1 1.615 0.008 . 2 . . 1057 . . 546 ARG HB2 . 25111 1 575 . 1 . 1 45 45 ARG HB3 H 1 1.709 0.006 . 2 . . 1058 . . 546 ARG HB3 . 25111 1 576 . 1 . 1 45 45 ARG HG2 H 1 1.419 0.007 . 2 . . 1059 . . 546 ARG HG2 . 25111 1 577 . 1 . 1 45 45 ARG HG3 H 1 1.600 0.006 . 2 . . 1286 . . 546 ARG HG3 . 25111 1 578 . 1 . 1 45 45 ARG HD2 H 1 2.968 0.005 . 2 . . 1061 . . 546 ARG HD2 . 25111 1 579 . 1 . 1 45 45 ARG HD3 H 1 2.970 0.007 . 2 . . 1523 . . 546 ARG HD3 . 25111 1 580 . 1 . 1 45 45 ARG HE H 1 7.084 0.015 . 1 . . 1700 . . 546 ARG HE . 25111 1 581 . 1 . 1 45 45 ARG C C 13 175.495 0.2 . 1 . . 647 . . 546 ARG C . 25111 1 582 . 1 . 1 45 45 ARG CA C 13 54.236 0.053 . 1 . . 467 . . 546 ARG CA . 25111 1 583 . 1 . 1 45 45 ARG CB C 13 31.996 0.049 . 1 . . 573 . . 546 ARG CB . 25111 1 584 . 1 . 1 45 45 ARG CG C 13 27.691 0.031 . 1 . . 1060 . . 546 ARG CG . 25111 1 585 . 1 . 1 45 45 ARG CD C 13 43.097 0.021 . 1 . . 1062 . . 546 ARG CD . 25111 1 586 . 1 . 1 45 45 ARG N N 15 124.916 0.035 . 1 . . 1698 . . 546 ARG N . 25111 1 587 . 1 . 1 45 45 ARG NE N 15 83.853 0.015 . 1 . . 1701 . . 546 ARG NE . 25111 1 588 . 1 . 1 46 46 GLU H H 1 8.571 0.008 . 1 . . 1766 . . 547 GLU H . 25111 1 589 . 1 . 1 46 46 GLU HA H 1 3.506 0.006 . 1 . . 732 . . 547 GLU HA . 25111 1 590 . 1 . 1 46 46 GLU HB2 H 1 1.748 0.003 . 2 . . 1063 . . 547 GLU HB2 . 25111 1 591 . 1 . 1 46 46 GLU HB3 H 1 1.882 0.005 . 2 . . 1064 . . 547 GLU HB3 . 25111 1 592 . 1 . 1 46 46 GLU HG2 H 1 2.062 0.004 . 2 . . 1065 . . 547 GLU HG2 . 25111 1 593 . 1 . 1 46 46 GLU HG3 H 1 2.064 0.004 . 2 . . 1524 . . 547 GLU HG3 . 25111 1 594 . 1 . 1 46 46 GLU C C 13 176.054 0.2 . 1 . . 648 . . 547 GLU C . 25111 1 595 . 1 . 1 46 46 GLU CA C 13 57.853 0.03 . 1 . . 468 . . 547 GLU CA . 25111 1 596 . 1 . 1 46 46 GLU CB C 13 29.414 0.038 . 1 . . 574 . . 547 GLU CB . 25111 1 597 . 1 . 1 46 46 GLU CG C 13 35.130 0.036 . 1 . . 1066 . . 547 GLU CG . 25111 1 598 . 1 . 1 46 46 GLU N N 15 126.538 0.018 . 1 . . 1765 . . 547 GLU N . 25111 1 599 . 1 . 1 47 47 GLY H H 1 8.740 0.007 . 1 . . 1933 . . 548 GLY H . 25111 1 600 . 1 . 1 47 47 GLY HA2 H 1 4.365 0.009 . 2 . . 1068 . . 548 GLY HA2 . 25111 1 601 . 1 . 1 47 47 GLY HA3 H 1 3.704 0.005 . 2 . . 1069 . . 548 GLY HA3 . 25111 1 602 . 1 . 1 47 47 GLY C C 13 174.166 0.2 . 1 . . 649 . . 548 GLY C . 25111 1 603 . 1 . 1 47 47 GLY CA C 13 45.526 0.041 . 1 . . 473 . . 548 GLY CA . 25111 1 604 . 1 . 1 47 47 GLY N N 15 111.246 0.016 . 1 . . 1932 . . 548 GLY N . 25111 1 605 . 1 . 1 48 48 THR H H 1 7.353 0.007 . 1 . . 1661 . . 549 THR H . 25111 1 606 . 1 . 1 48 48 THR HA H 1 4.561 0.006 . 1 . . 731 . . 549 THR HA . 25111 1 607 . 1 . 1 48 48 THR HB H 1 4.406 0.007 . 1 . . 1149 . . 549 THR HB . 25111 1 608 . 1 . 1 48 48 THR HG1 H 1 9.129 0.005 . 1 . . 1630 . . 549 THR HG1 . 25111 1 609 . 1 . 1 48 48 THR HG21 H 1 1.251 0.006 . 1 . . 1150 . . 549 THR HG21 . 25111 1 610 . 1 . 1 48 48 THR HG22 H 1 1.251 0.006 . 1 . . 1150 . . 549 THR HG22 . 25111 1 611 . 1 . 1 48 48 THR HG23 H 1 1.251 0.006 . 1 . . 1150 . . 549 THR HG23 . 25111 1 612 . 1 . 1 48 48 THR C C 13 173.940 0.2 . 1 . . 650 . . 549 THR C . 25111 1 613 . 1 . 1 48 48 THR CA C 13 60.633 0.043 . 1 . . 458 . . 549 THR CA . 25111 1 614 . 1 . 1 48 48 THR CB C 13 71.863 0.026 . 1 . . 575 . . 549 THR CB . 25111 1 615 . 1 . 1 48 48 THR CG2 C 13 22.205 0.016 . 1 . . 1151 . . 549 THR CG2 . 25111 1 616 . 1 . 1 48 48 THR N N 15 109.875 0.026 . 1 . . 1660 . . 549 THR N . 25111 1 617 . 1 . 1 49 49 ILE H H 1 8.815 0.005 . 1 . . 1705 . . 550 ILE H . 25111 1 618 . 1 . 1 49 49 ILE HA H 1 4.189 0.006 . 1 . . 734 . . 550 ILE HA . 25111 1 619 . 1 . 1 49 49 ILE HB H 1 1.872 0.004 . 1 . . 843 . . 550 ILE HB . 25111 1 620 . 1 . 1 49 49 ILE HG12 H 1 1.202 0.005 . 2 . . 845 . . 550 ILE HG12 . 25111 1 621 . 1 . 1 49 49 ILE HG13 H 1 1.562 0.005 . 2 . . 846 . . 550 ILE HG13 . 25111 1 622 . 1 . 1 49 49 ILE HG21 H 1 0.858 0.003 . 1 . . 844 . . 550 ILE HG21 . 25111 1 623 . 1 . 1 49 49 ILE HG22 H 1 0.858 0.003 . 1 . . 844 . . 550 ILE HG22 . 25111 1 624 . 1 . 1 49 49 ILE HG23 H 1 0.858 0.003 . 1 . . 844 . . 550 ILE HG23 . 25111 1 625 . 1 . 1 49 49 ILE HD11 H 1 0.799 0.004 . 1 . . 848 . . 550 ILE HD11 . 25111 1 626 . 1 . 1 49 49 ILE HD12 H 1 0.799 0.004 . 1 . . 848 . . 550 ILE HD12 . 25111 1 627 . 1 . 1 49 49 ILE HD13 H 1 0.799 0.004 . 1 . . 848 . . 550 ILE HD13 . 25111 1 628 . 1 . 1 49 49 ILE C C 13 177.129 0.2 . 1 . . 651 . . 550 ILE C . 25111 1 629 . 1 . 1 49 49 ILE CA C 13 61.097 0.078 . 1 . . 433 . . 550 ILE CA . 25111 1 630 . 1 . 1 49 49 ILE CB C 13 37.411 0.025 . 1 . . 576 . . 550 ILE CB . 25111 1 631 . 1 . 1 49 49 ILE CG1 C 13 27.721 0.029 . 1 . . 847 . . 550 ILE CG1 . 25111 1 632 . 1 . 1 49 49 ILE CG2 C 13 17.465 0.089 . 1 . . 1287 . . 550 ILE CG2 . 25111 1 633 . 1 . 1 49 49 ILE CD1 C 13 11.929 0.017 . 1 . . 849 . . 550 ILE CD1 . 25111 1 634 . 1 . 1 49 49 ILE N N 15 121.981 0.014 . 1 . . 1704 . . 550 ILE N . 25111 1 635 . 1 . 1 50 50 GLY H H 1 8.655 0.01 . 1 . . 1760 . . 551 GLY H . 25111 1 636 . 1 . 1 50 50 GLY HA2 H 1 4.328 0.008 . 2 . . 1152 . . 551 GLY HA2 . 25111 1 637 . 1 . 1 50 50 GLY HA3 H 1 3.576 0.009 . 2 . . 1153 . . 551 GLY HA3 . 25111 1 638 . 1 . 1 50 50 GLY C C 13 173.694 0.2 . 1 . . 652 . . 551 GLY C . 25111 1 639 . 1 . 1 50 50 GLY CA C 13 46.609 0.051 . 1 . . 434 . . 551 GLY CA . 25111 1 640 . 1 . 1 50 50 GLY N N 15 115.257 0.031 . 1 . . 1759 . . 551 GLY N . 25111 1 641 . 1 . 1 51 51 LYS H H 1 8.813 0.007 . 1 . . 1781 . . 552 LYS H . 25111 1 642 . 1 . 1 51 51 LYS HA H 1 4.559 0.005 . 1 . . 529 . . 552 LYS HA . 25111 1 643 . 1 . 1 51 51 LYS HB2 H 1 2.143 0.007 . 2 . . 850 . . 552 LYS HB2 . 25111 1 644 . 1 . 1 51 51 LYS HB3 H 1 1.796 0.004 . 2 . . 851 . . 552 LYS HB3 . 25111 1 645 . 1 . 1 51 51 LYS HG2 H 1 1.385 0.008 . 2 . . 852 . . 552 LYS HG2 . 25111 1 646 . 1 . 1 51 51 LYS HG3 H 1 1.489 0.002 . 2 . . 853 . . 552 LYS HG3 . 25111 1 647 . 1 . 1 51 51 LYS HD2 H 1 1.735 0.005 . 2 . . 1357 . . 552 LYS HD2 . 25111 1 648 . 1 . 1 51 51 LYS HD3 H 1 1.733 0.004 . 2 . . 1559 . . 552 LYS HD3 . 25111 1 649 . 1 . 1 51 51 LYS HE2 H 1 2.990 0.002 . 2 . . 1358 . . 552 LYS HE2 . 25111 1 650 . 1 . 1 51 51 LYS HE3 H 1 2.987 0.003 . 2 . . 1560 . . 552 LYS HE3 . 25111 1 651 . 1 . 1 51 51 LYS C C 13 175.528 0.2 . 1 . . 653 . . 552 LYS C . 25111 1 652 . 1 . 1 51 51 LYS CA C 13 55.946 0.032 . 1 . . 470 . . 552 LYS CA . 25111 1 653 . 1 . 1 51 51 LYS CB C 13 35.006 0.024 . 1 . . 577 . . 552 LYS CB . 25111 1 654 . 1 . 1 51 51 LYS CG C 13 25.076 0.079 . 1 . . 1355 . . 552 LYS CG . 25111 1 655 . 1 . 1 51 51 LYS CD C 13 29.316 0.053 . 1 . . 1356 . . 552 LYS CD . 25111 1 656 . 1 . 1 51 51 LYS CE C 13 42.220 0.027 . 1 . . 1359 . . 552 LYS CE . 25111 1 657 . 1 . 1 51 51 LYS N N 15 121.654 0.032 . 1 . . 1780 . . 552 LYS N . 25111 1 658 . 1 . 1 52 52 LYS H H 1 7.371 0.005 . 1 . . 1667 . . 553 LYS H . 25111 1 659 . 1 . 1 52 52 LYS HA H 1 4.951 0.004 . 1 . . 735 . . 553 LYS HA . 25111 1 660 . 1 . 1 52 52 LYS HB2 H 1 1.272 0.006 . 2 . . 854 . . 553 LYS HB2 . 25111 1 661 . 1 . 1 52 52 LYS HB3 H 1 1.263 0.007 . 2 . . 1557 . . 553 LYS HB3 . 25111 1 662 . 1 . 1 52 52 LYS HG2 H 1 1.091 0.004 . 2 . . 855 . . 553 LYS HG2 . 25111 1 663 . 1 . 1 52 52 LYS HG3 H 1 1.081 0.01 . 2 . . 1558 . . 553 LYS HG3 . 25111 1 664 . 1 . 1 52 52 LYS HD2 H 1 1.500 0.003 . 2 . . 1298 . . 553 LYS HD2 . 25111 1 665 . 1 . 1 52 52 LYS HD3 H 1 1.652 0.003 . 2 . . 1300 . . 553 LYS HD3 . 25111 1 666 . 1 . 1 52 52 LYS HE2 H 1 2.967 0.011 . 2 . . 1301 . . 553 LYS HE2 . 25111 1 667 . 1 . 1 52 52 LYS HE3 H 1 2.862 0.003 . 2 . . 1302 . . 553 LYS HE3 . 25111 1 668 . 1 . 1 52 52 LYS C C 13 174.041 0.2 . 1 . . 654 . . 553 LYS C . 25111 1 669 . 1 . 1 52 52 LYS CA C 13 55.253 0.044 . 1 . . 579 . . 553 LYS CA . 25111 1 670 . 1 . 1 52 52 LYS CB C 13 37.236 0.042 . 1 . . 578 . . 553 LYS CB . 25111 1 671 . 1 . 1 52 52 LYS CG C 13 24.320 0.033 . 1 . . 856 . . 553 LYS CG . 25111 1 672 . 1 . 1 52 52 LYS CD C 13 30.474 0.027 . 1 . . 1299 . . 553 LYS CD . 25111 1 673 . 1 . 1 52 52 LYS CE C 13 42.016 0.065 . 1 . . 1303 . . 553 LYS CE . 25111 1 674 . 1 . 1 52 52 LYS N N 15 117.557 0.035 . 1 . . 1666 . . 553 LYS N . 25111 1 675 . 1 . 1 53 53 MET H H 1 8.439 0.005 . 1 . . 1736 . . 554 MET H . 25111 1 676 . 1 . 1 53 53 MET HA H 1 4.721 0.004 . 1 . . 761 . . 554 MET HA . 25111 1 677 . 1 . 1 53 53 MET HB2 H 1 1.428 0.009 . 2 . . 1071 . . 554 MET HB2 . 25111 1 678 . 1 . 1 53 53 MET HB3 H 1 1.961 0.004 . 2 . . 1072 . . 554 MET HB3 . 25111 1 679 . 1 . 1 53 53 MET HG2 H 1 1.693 0.01 . 2 . . 1482 . . 554 MET HG2 . 25111 1 680 . 1 . 1 53 53 MET HG3 H 1 2.178 0.004 . 2 . . 1484 . . 554 MET HG3 . 25111 1 681 . 1 . 1 53 53 MET HE1 H 1 1.045 0.007 . 1 . . 1485 . . 554 MET HE1 . 25111 1 682 . 1 . 1 53 53 MET HE2 H 1 1.045 0.007 . 1 . . 1485 . . 554 MET HE2 . 25111 1 683 . 1 . 1 53 53 MET HE3 H 1 1.045 0.007 . 1 . . 1485 . . 554 MET HE3 . 25111 1 684 . 1 . 1 53 53 MET C C 13 172.653 0.2 . 1 . . 655 . . 554 MET C . 25111 1 685 . 1 . 1 53 53 MET CA C 13 53.843 0.035 . 1 . . 562 . . 554 MET CA . 25111 1 686 . 1 . 1 53 53 MET CB C 13 34.480 0.031 . 1 . . 1385 . . 554 MET CB . 25111 1 687 . 1 . 1 53 53 MET CG C 13 30.422 0.043 . 1 . . 1483 . . 554 MET CG . 25111 1 688 . 1 . 1 53 53 MET CE C 13 17.775 0.03 . 1 . . 1486 . . 554 MET CE . 25111 1 689 . 1 . 1 53 53 MET N N 15 118.025 0.017 . 1 . . 1735 . . 554 MET N . 25111 1 690 . 1 . 1 54 54 TYR H H 1 8.095 0.005 . 1 . . 1788 . . 555 TYR H . 25111 1 691 . 1 . 1 54 54 TYR HA H 1 4.996 0.005 . 1 . . 736 . . 555 TYR HA . 25111 1 692 . 1 . 1 54 54 TYR HB2 H 1 1.942 0.006 . 2 . . 857 . . 555 TYR HB2 . 25111 1 693 . 1 . 1 54 54 TYR HB3 H 1 0.675 0.007 . 2 . . 858 . . 555 TYR HB3 . 25111 1 694 . 1 . 1 54 54 TYR HH H 1 9.735 0.05 . 1 . . 1632 . . 555 TYR HH . 25111 1 695 . 1 . 1 54 54 TYR C C 13 173.230 0.2 . 1 . . 656 . . 555 TYR C . 25111 1 696 . 1 . 1 54 54 TYR CA C 13 57.273 0.04 . 1 . . 560 . . 555 TYR CA . 25111 1 697 . 1 . 1 54 54 TYR CB C 13 43.323 0.05 . 1 . . 561 . . 555 TYR CB . 25111 1 698 . 1 . 1 54 54 TYR N N 15 114.961 0.036 . 1 . . 1787 . . 555 TYR N . 25111 1 699 . 1 . 1 55 55 PHE H H 1 9.444 0.008 . 1 . . 1819 . . 556 PHE H . 25111 1 700 . 1 . 1 55 55 PHE HA H 1 4.871 0.006 . 1 . . 490 . . 556 PHE HA . 25111 1 701 . 1 . 1 55 55 PHE HB2 H 1 3.010 0.01 . 2 . . 859 . . 556 PHE HB2 . 25111 1 702 . 1 . 1 55 55 PHE HB3 H 1 2.990 0.012 . 2 . . 1556 . . 556 PHE HB3 . 25111 1 703 . 1 . 1 55 55 PHE HD1 H 1 7.185 0.01 . 3 . . 1423 . . 556 PHE HD1 . 25111 1 704 . 1 . 1 55 55 PHE HD2 H 1 7.185 0.01 . 3 . . 1423 . . 556 PHE HD2 . 25111 1 705 . 1 . 1 55 55 PHE HE1 H 1 7.000 0.01 . 3 . . 1425 . . 556 PHE HE1 . 25111 1 706 . 1 . 1 55 55 PHE HE2 H 1 7.000 0.01 . 3 . . 1425 . . 556 PHE HE2 . 25111 1 707 . 1 . 1 55 55 PHE HZ H 1 7.073 0.009 . 1 . . 1466 . . 556 PHE HZ . 25111 1 708 . 1 . 1 55 55 PHE C C 13 176.080 0.2 . 1 . . 657 . . 556 PHE C . 25111 1 709 . 1 . 1 55 55 PHE CA C 13 56.430 0.053 . 1 . . 331 . . 556 PHE CA . 25111 1 710 . 1 . 1 55 55 PHE CB C 13 42.155 0.076 . 1 . . 330 . . 556 PHE CB . 25111 1 711 . 1 . 1 55 55 PHE CD1 C 13 132.742 0.043 . 3 . . 1424 . . 556 PHE CD1 . 25111 1 712 . 1 . 1 55 55 PHE CD2 C 13 132.742 0.043 . 3 . . 1424 . . 556 PHE CD2 . 25111 1 713 . 1 . 1 55 55 PHE CE1 C 13 130.629 0.036 . 3 . . 1426 . . 556 PHE CE1 . 25111 1 714 . 1 . 1 55 55 PHE CE2 C 13 130.629 0.036 . 3 . . 1426 . . 556 PHE CE2 . 25111 1 715 . 1 . 1 55 55 PHE CZ C 13 129.410 0.046 . 1 . . 1467 . . 556 PHE CZ . 25111 1 716 . 1 . 1 55 55 PHE N N 15 117.290 0.024 . 1 . . 1818 . . 556 PHE N . 25111 1 717 . 1 . 1 56 56 ILE H H 1 9.235 0.007 . 1 . . 1732 . . 557 ILE H . 25111 1 718 . 1 . 1 56 56 ILE HA H 1 4.146 0.005 . 1 . . 737 . . 557 ILE HA . 25111 1 719 . 1 . 1 56 56 ILE HB H 1 1.930 0.004 . 1 . . 860 . . 557 ILE HB . 25111 1 720 . 1 . 1 56 56 ILE HG12 H 1 0.689 0.009 . 2 . . 862 . . 557 ILE HG12 . 25111 1 721 . 1 . 1 56 56 ILE HG13 H 1 1.530 0.006 . 2 . . 863 . . 557 ILE HG13 . 25111 1 722 . 1 . 1 56 56 ILE HG21 H 1 0.559 0.007 . 1 . . 861 . . 557 ILE HG21 . 25111 1 723 . 1 . 1 56 56 ILE HG22 H 1 0.559 0.007 . 1 . . 861 . . 557 ILE HG22 . 25111 1 724 . 1 . 1 56 56 ILE HG23 H 1 0.559 0.007 . 1 . . 861 . . 557 ILE HG23 . 25111 1 725 . 1 . 1 56 56 ILE HD11 H 1 0.673 0.007 . 1 . . 1305 . . 557 ILE HD11 . 25111 1 726 . 1 . 1 56 56 ILE HD12 H 1 0.673 0.007 . 1 . . 1305 . . 557 ILE HD12 . 25111 1 727 . 1 . 1 56 56 ILE HD13 H 1 0.673 0.007 . 1 . . 1305 . . 557 ILE HD13 . 25111 1 728 . 1 . 1 56 56 ILE C C 13 175.143 0.2 . 1 . . 658 . . 557 ILE C . 25111 1 729 . 1 . 1 56 56 ILE CA C 13 62.013 0.023 . 1 . . 326 . . 557 ILE CA . 25111 1 730 . 1 . 1 56 56 ILE CB C 13 38.035 0.036 . 1 . . 327 . . 557 ILE CB . 25111 1 731 . 1 . 1 56 56 ILE CG1 C 13 27.437 0.027 . 1 . . 1304 . . 557 ILE CG1 . 25111 1 732 . 1 . 1 56 56 ILE CG2 C 13 17.315 0.022 . 1 . . 1070 . . 557 ILE CG2 . 25111 1 733 . 1 . 1 56 56 ILE CD1 C 13 14.577 0.02 . 1 . . 1306 . . 557 ILE CD1 . 25111 1 734 . 1 . 1 56 56 ILE N N 15 121.509 0.032 . 1 . . 1731 . . 557 ILE N . 25111 1 735 . 1 . 1 57 57 GLN H H 1 8.536 0.004 . 1 . . 1784 . . 558 GLN H . 25111 1 736 . 1 . 1 57 57 GLN HA H 1 4.523 0.006 . 1 . . 493 . . 558 GLN HA . 25111 1 737 . 1 . 1 57 57 GLN HB2 H 1 1.842 0.007 . 2 . . 864 . . 558 GLN HB2 . 25111 1 738 . 1 . 1 57 57 GLN HB3 H 1 2.391 0.005 . 2 . . 865 . . 558 GLN HB3 . 25111 1 739 . 1 . 1 57 57 GLN HG2 H 1 2.573 0.007 . 2 . . 866 . . 558 GLN HG2 . 25111 1 740 . 1 . 1 57 57 GLN HG3 H 1 2.183 0.004 . 2 . . 867 . . 558 GLN HG3 . 25111 1 741 . 1 . 1 57 57 GLN HE21 H 1 7.538 0.003 . 1 . . 1785 . . 558 GLN HE21 . 25111 1 742 . 1 . 1 57 57 GLN HE22 H 1 6.888 0.006 . 1 . . 1786 . . 558 GLN HE22 . 25111 1 743 . 1 . 1 57 57 GLN C C 13 176.244 0.2 . 1 . . 659 . . 558 GLN C . 25111 1 744 . 1 . 1 57 57 GLN CA C 13 58.791 0.031 . 1 . . 329 . . 558 GLN CA . 25111 1 745 . 1 . 1 57 57 GLN CB C 13 28.848 0.048 . 1 . . 328 . . 558 GLN CB . 25111 1 746 . 1 . 1 57 57 GLN CG C 13 34.483 0.027 . 1 . . 868 . . 558 GLN CG . 25111 1 747 . 1 . 1 57 57 GLN N N 15 130.589 0.027 . 1 . . 1782 . . 558 GLN N . 25111 1 748 . 1 . 1 57 57 GLN NE2 N 15 111.643 0.033 . 1 . . 1783 . . 558 GLN NE2 . 25111 1 749 . 1 . 1 58 58 HIS H H 1 8.159 0.004 . 1 . . 1663 . . 559 HIS H . 25111 1 750 . 1 . 1 58 58 HIS HA H 1 5.050 0.004 . 1 . . 512 . . 559 HIS HA . 25111 1 751 . 1 . 1 58 58 HIS HB2 H 1 2.996 0.007 . 2 . . 869 . . 559 HIS HB2 . 25111 1 752 . 1 . 1 58 58 HIS HB3 H 1 3.246 0.007 . 2 . . 870 . . 559 HIS HB3 . 25111 1 753 . 1 . 1 58 58 HIS HD2 H 1 7.203 0.01 . 1 . . 1427 . . 559 HIS HD2 . 25111 1 754 . 1 . 1 58 58 HIS HE1 H 1 8.626 0.011 . 1 . . 1429 . . 559 HIS HE1 . 25111 1 755 . 1 . 1 58 58 HIS C C 13 172.366 0.2 . 1 . . 660 . . 559 HIS C . 25111 1 756 . 1 . 1 58 58 HIS CA C 13 54.834 0.039 . 1 . . 372 . . 559 HIS CA . 25111 1 757 . 1 . 1 58 58 HIS CB C 13 32.484 0.053 . 1 . . 371 . . 559 HIS CB . 25111 1 758 . 1 . 1 58 58 HIS CD2 C 13 120.500 0.029 . 1 . . 1428 . . 559 HIS CD2 . 25111 1 759 . 1 . 1 58 58 HIS CE1 C 13 137.638 0.024 . 1 . . 1430 . . 559 HIS CE1 . 25111 1 760 . 1 . 1 58 58 HIS N N 15 112.499 0.017 . 1 . . 1662 . . 559 HIS N . 25111 1 761 . 1 . 1 59 59 GLY H H 1 8.380 0.005 . 1 . . 1722 . . 560 GLY H . 25111 1 762 . 1 . 1 59 59 GLY HA2 H 1 4.710 0.008 . 2 . . 553 . . 560 GLY HA2 . 25111 1 763 . 1 . 1 59 59 GLY HA3 H 1 3.488 0.006 . 2 . . 1073 . . 560 GLY HA3 . 25111 1 764 . 1 . 1 59 59 GLY C C 13 169.708 0.2 . 1 . . 661 . . 560 GLY C . 25111 1 765 . 1 . 1 59 59 GLY CA C 13 44.496 0.038 . 1 . . 396 . . 560 GLY CA . 25111 1 766 . 1 . 1 59 59 GLY N N 15 115.645 0.021 . 1 . . 1721 . . 560 GLY N . 25111 1 767 . 1 . 1 60 60 VAL H H 1 7.358 0.005 . 1 . . 1742 . . 561 VAL H . 25111 1 768 . 1 . 1 60 60 VAL HA H 1 4.841 0.005 . 1 . . 557 . . 561 VAL HA . 25111 1 769 . 1 . 1 60 60 VAL HB H 1 1.765 0.004 . 1 . . 871 . . 561 VAL HB . 25111 1 770 . 1 . 1 60 60 VAL HG11 H 1 0.876 0.007 . 2 . . 872 . . 561 VAL HG11 . 25111 1 771 . 1 . 1 60 60 VAL HG12 H 1 0.876 0.007 . 2 . . 872 . . 561 VAL HG12 . 25111 1 772 . 1 . 1 60 60 VAL HG13 H 1 0.876 0.007 . 2 . . 872 . . 561 VAL HG13 . 25111 1 773 . 1 . 1 60 60 VAL HG21 H 1 0.875 0.012 . 2 . . 1525 . . 561 VAL HG21 . 25111 1 774 . 1 . 1 60 60 VAL HG22 H 1 0.875 0.012 . 2 . . 1525 . . 561 VAL HG22 . 25111 1 775 . 1 . 1 60 60 VAL HG23 H 1 0.875 0.012 . 2 . . 1525 . . 561 VAL HG23 . 25111 1 776 . 1 . 1 60 60 VAL C C 13 175.617 0.2 . 1 . . 662 . . 561 VAL C . 25111 1 777 . 1 . 1 60 60 VAL CA C 13 61.152 0.023 . 1 . . 361 . . 561 VAL CA . 25111 1 778 . 1 . 1 60 60 VAL CB C 13 34.951 0.056 . 1 . . 362 . . 561 VAL CB . 25111 1 779 . 1 . 1 60 60 VAL CG1 C 13 21.736 0.011 . 2 . . 1074 . . 561 VAL CG1 . 25111 1 780 . 1 . 1 60 60 VAL CG2 C 13 21.203 0.029 . 2 . . 1526 . . 561 VAL CG2 . 25111 1 781 . 1 . 1 60 60 VAL N N 15 117.697 0.023 . 1 . . 1741 . . 561 VAL N . 25111 1 782 . 1 . 1 61 61 VAL H H 1 8.850 0.005 . 1 . . 1790 . . 562 VAL H . 25111 1 783 . 1 . 1 61 61 VAL HA H 1 4.899 0.005 . 1 . . 556 . . 562 VAL HA . 25111 1 784 . 1 . 1 61 61 VAL HB H 1 1.437 0.008 . 1 . . 874 . . 562 VAL HB . 25111 1 785 . 1 . 1 61 61 VAL HG11 H 1 0.472 0.007 . 2 . . 875 . . 562 VAL HG11 . 25111 1 786 . 1 . 1 61 61 VAL HG12 H 1 0.472 0.007 . 2 . . 875 . . 562 VAL HG12 . 25111 1 787 . 1 . 1 61 61 VAL HG13 H 1 0.472 0.007 . 2 . . 875 . . 562 VAL HG13 . 25111 1 788 . 1 . 1 61 61 VAL HG21 H 1 0.160 0.005 . 2 . . 876 . . 562 VAL HG21 . 25111 1 789 . 1 . 1 61 61 VAL HG22 H 1 0.160 0.005 . 2 . . 876 . . 562 VAL HG22 . 25111 1 790 . 1 . 1 61 61 VAL HG23 H 1 0.160 0.005 . 2 . . 876 . . 562 VAL HG23 . 25111 1 791 . 1 . 1 61 61 VAL C C 13 173.813 0.2 . 1 . . 663 . . 562 VAL C . 25111 1 792 . 1 . 1 61 61 VAL CA C 13 57.715 0.016 . 1 . . 580 . . 562 VAL CA . 25111 1 793 . 1 . 1 61 61 VAL CB C 13 33.558 0.056 . 1 . . 358 . . 562 VAL CB . 25111 1 794 . 1 . 1 61 61 VAL CG1 C 13 21.655 0.034 . 2 . . 877 . . 562 VAL CG1 . 25111 1 795 . 1 . 1 61 61 VAL CG2 C 13 19.876 0.023 . 2 . . 1075 . . 562 VAL CG2 . 25111 1 796 . 1 . 1 61 61 VAL N N 15 118.048 0.018 . 1 . . 1789 . . 562 VAL N . 25111 1 797 . 1 . 1 62 62 SER H H 1 8.876 0.008 . 1 . . 1659 . . 563 SER H . 25111 1 798 . 1 . 1 62 62 SER HA H 1 4.989 0.006 . 1 . . 507 . . 563 SER HA . 25111 1 799 . 1 . 1 62 62 SER HB2 H 1 3.472 0.008 . 2 . . 873 . . 563 SER HB2 . 25111 1 800 . 1 . 1 62 62 SER HB3 H 1 3.385 0.006 . 2 . . 878 . . 563 SER HB3 . 25111 1 801 . 1 . 1 62 62 SER C C 13 172.949 0.2 . 1 . . 664 . . 563 SER C . 25111 1 802 . 1 . 1 62 62 SER CA C 13 57.985 0.049 . 1 . . 359 . . 563 SER CA . 25111 1 803 . 1 . 1 62 62 SER CB C 13 65.375 0.024 . 1 . . 360 . . 563 SER CB . 25111 1 804 . 1 . 1 62 62 SER N N 15 115.555 0.026 . 1 . . 1658 . . 563 SER N . 25111 1 805 . 1 . 1 63 63 VAL H H 1 9.175 0.005 . 1 . . 1697 . . 564 VAL H . 25111 1 806 . 1 . 1 63 63 VAL HA H 1 4.314 0.011 . 1 . . 530 . . 564 VAL HA . 25111 1 807 . 1 . 1 63 63 VAL HB H 1 1.956 0.006 . 1 . . 879 . . 564 VAL HB . 25111 1 808 . 1 . 1 63 63 VAL HG11 H 1 0.702 0.006 . 2 . . 880 . . 564 VAL HG11 . 25111 1 809 . 1 . 1 63 63 VAL HG12 H 1 0.702 0.006 . 2 . . 880 . . 564 VAL HG12 . 25111 1 810 . 1 . 1 63 63 VAL HG13 H 1 0.702 0.006 . 2 . . 880 . . 564 VAL HG13 . 25111 1 811 . 1 . 1 63 63 VAL HG21 H 1 0.579 0.005 . 2 . . 881 . . 564 VAL HG21 . 25111 1 812 . 1 . 1 63 63 VAL HG22 H 1 0.579 0.005 . 2 . . 881 . . 564 VAL HG22 . 25111 1 813 . 1 . 1 63 63 VAL HG23 H 1 0.579 0.005 . 2 . . 881 . . 564 VAL HG23 . 25111 1 814 . 1 . 1 63 63 VAL CA C 13 61.788 0.024 . 1 . . 375 . . 564 VAL CA . 25111 1 815 . 1 . 1 63 63 VAL CB C 13 32.129 0.053 . 1 . . 581 . . 564 VAL CB . 25111 1 816 . 1 . 1 63 63 VAL CG1 C 13 21.245 0.034 . 2 . . 883 . . 564 VAL CG1 . 25111 1 817 . 1 . 1 63 63 VAL CG2 C 13 20.193 0.019 . 2 . . 882 . . 564 VAL CG2 . 25111 1 818 . 1 . 1 63 63 VAL N N 15 125.420 0.014 . 1 . . 1696 . . 564 VAL N . 25111 1 819 . 1 . 1 64 64 LEU H H 1 9.057 0.005 . 1 . . 1864 . . 565 LEU H . 25111 1 820 . 1 . 1 64 64 LEU HA H 1 4.945 0.008 . 1 . . 754 . . 565 LEU HA . 25111 1 821 . 1 . 1 64 64 LEU HB2 H 1 1.576 0.004 . 2 . . 884 . . 565 LEU HB2 . 25111 1 822 . 1 . 1 64 64 LEU HB3 H 1 1.547 0.004 . 2 . . 885 . . 565 LEU HB3 . 25111 1 823 . 1 . 1 64 64 LEU HG H 1 1.412 0.005 . 1 . . 1307 . . 565 LEU HG . 25111 1 824 . 1 . 1 64 64 LEU HD11 H 1 0.772 0.007 . 2 . . 1309 . . 565 LEU HD11 . 25111 1 825 . 1 . 1 64 64 LEU HD12 H 1 0.772 0.007 . 2 . . 1309 . . 565 LEU HD12 . 25111 1 826 . 1 . 1 64 64 LEU HD13 H 1 0.772 0.007 . 2 . . 1309 . . 565 LEU HD13 . 25111 1 827 . 1 . 1 64 64 LEU HD21 H 1 0.772 0.008 . 2 . . 1311 . . 565 LEU HD21 . 25111 1 828 . 1 . 1 64 64 LEU HD22 H 1 0.772 0.008 . 2 . . 1311 . . 565 LEU HD22 . 25111 1 829 . 1 . 1 64 64 LEU HD23 H 1 0.772 0.008 . 2 . . 1311 . . 565 LEU HD23 . 25111 1 830 . 1 . 1 64 64 LEU C C 13 176.368 0.2 . 1 . . 665 . . 565 LEU C . 25111 1 831 . 1 . 1 64 64 LEU CA C 13 54.381 0.021 . 1 . . 748 . . 565 LEU CA . 25111 1 832 . 1 . 1 64 64 LEU CB C 13 42.998 0.031 . 1 . . 749 . . 565 LEU CB . 25111 1 833 . 1 . 1 64 64 LEU CG C 13 27.044 0.017 . 1 . . 1308 . . 565 LEU CG . 25111 1 834 . 1 . 1 64 64 LEU CD1 C 13 24.623 0.013 . 2 . . 1310 . . 565 LEU CD1 . 25111 1 835 . 1 . 1 64 64 LEU CD2 C 13 25.850 0.029 . 2 . . 1312 . . 565 LEU CD2 . 25111 1 836 . 1 . 1 64 64 LEU N N 15 130.008 0.022 . 1 . . 1863 . . 565 LEU N . 25111 1 837 . 1 . 1 65 65 THR H H 1 8.449 0.004 . 1 . . 1803 . . 566 THR H . 25111 1 838 . 1 . 1 65 65 THR HA H 1 4.693 0.008 . 1 . . 536 . . 566 THR HA . 25111 1 839 . 1 . 1 65 65 THR HB H 1 4.212 0.009 . 1 . . 886 . . 566 THR HB . 25111 1 840 . 1 . 1 65 65 THR HG21 H 1 1.202 0.003 . 1 . . 887 . . 566 THR HG21 . 25111 1 841 . 1 . 1 65 65 THR HG22 H 1 1.202 0.003 . 1 . . 887 . . 566 THR HG22 . 25111 1 842 . 1 . 1 65 65 THR HG23 H 1 1.202 0.003 . 1 . . 887 . . 566 THR HG23 . 25111 1 843 . 1 . 1 65 65 THR C C 13 174.537 0.2 . 1 . . 666 . . 566 THR C . 25111 1 844 . 1 . 1 65 65 THR CA C 13 60.540 0.041 . 1 . . 450 . . 566 THR CA . 25111 1 845 . 1 . 1 65 65 THR CB C 13 71.165 0.036 . 1 . . 582 . . 566 THR CB . 25111 1 846 . 1 . 1 65 65 THR CG2 C 13 22.174 0.056 . 1 . . 888 . . 566 THR CG2 . 25111 1 847 . 1 . 1 65 65 THR N N 15 117.175 0.026 . 1 . . 1802 . . 566 THR N . 25111 1 848 . 1 . 1 66 66 LYS H H 1 8.866 0.005 . 1 . . 1836 . . 567 LYS H . 25111 1 849 . 1 . 1 66 66 LYS HA H 1 4.102 0.003 . 1 . . 738 . . 567 LYS HA . 25111 1 850 . 1 . 1 66 66 LYS HB2 H 1 1.855 0.007 . 2 . . 889 . . 567 LYS HB2 . 25111 1 851 . 1 . 1 66 66 LYS HB3 H 1 1.830 0.009 . 2 . . 890 . . 567 LYS HB3 . 25111 1 852 . 1 . 1 66 66 LYS HG2 H 1 1.428 0.008 . 2 . . 891 . . 567 LYS HG2 . 25111 1 853 . 1 . 1 66 66 LYS HG3 H 1 1.497 0.009 . 2 . . 892 . . 567 LYS HG3 . 25111 1 854 . 1 . 1 66 66 LYS HD2 H 1 1.700 0.015 . 2 . . 1362 . . 567 LYS HD2 . 25111 1 855 . 1 . 1 66 66 LYS HD3 H 1 1.685 0.006 . 2 . . 1591 . . 567 LYS HD3 . 25111 1 856 . 1 . 1 66 66 LYS HE2 H 1 2.981 0.002 . 2 . . 1605 . . 567 LYS HE2 . 25111 1 857 . 1 . 1 66 66 LYS HE3 H 1 2.981 0.002 . 2 . . 1606 . . 567 LYS HE3 . 25111 1 858 . 1 . 1 66 66 LYS C C 13 177.520 0.2 . 1 . . 667 . . 567 LYS C . 25111 1 859 . 1 . 1 66 66 LYS CA C 13 58.079 0.035 . 1 . . 419 . . 567 LYS CA . 25111 1 860 . 1 . 1 66 66 LYS CB C 13 32.140 0.041 . 1 . . 583 . . 567 LYS CB . 25111 1 861 . 1 . 1 66 66 LYS CG C 13 24.840 0.02 . 1 . . 1360 . . 567 LYS CG . 25111 1 862 . 1 . 1 66 66 LYS CD C 13 29.227 0.021 . 1 . . 1361 . . 567 LYS CD . 25111 1 863 . 1 . 1 66 66 LYS CE C 13 42.174 0.046 . 1 . . 1607 . . 567 LYS CE . 25111 1 864 . 1 . 1 66 66 LYS N N 15 123.917 0.016 . 1 . . 1835 . . 567 LYS N . 25111 1 865 . 1 . 1 67 67 GLY H H 1 8.704 0.007 . 1 . . 1886 . . 568 GLY H . 25111 1 866 . 1 . 1 67 67 GLY HA2 H 1 3.800 0.004 . 2 . . 1166 . . 568 GLY HA2 . 25111 1 867 . 1 . 1 67 67 GLY HA3 H 1 4.018 0.003 . 2 . . 1167 . . 568 GLY HA3 . 25111 1 868 . 1 . 1 67 67 GLY C C 13 173.986 0.2 . 1 . . 668 . . 568 GLY C . 25111 1 869 . 1 . 1 67 67 GLY CA C 13 45.566 0.043 . 1 . . 584 . . 568 GLY CA . 25111 1 870 . 1 . 1 67 67 GLY N N 15 110.434 0.022 . 1 . . 1885 . . 568 GLY N . 25111 1 871 . 1 . 1 68 68 ASN H H 1 8.111 0.004 . 1 . . 1900 . . 569 ASN H . 25111 1 872 . 1 . 1 68 68 ASN HA H 1 4.793 0.006 . 1 . . 486 . . 569 ASN HA . 25111 1 873 . 1 . 1 68 68 ASN HB2 H 1 2.733 0.005 . 2 . . 893 . . 569 ASN HB2 . 25111 1 874 . 1 . 1 68 68 ASN HB3 H 1 2.879 0.004 . 2 . . 894 . . 569 ASN HB3 . 25111 1 875 . 1 . 1 68 68 ASN HD21 H 1 7.468 0.004 . 1 . . 1898 . . 569 ASN HD21 . 25111 1 876 . 1 . 1 68 68 ASN HD22 H 1 6.893 0.003 . 1 . . 1899 . . 569 ASN HD22 . 25111 1 877 . 1 . 1 68 68 ASN C C 13 174.757 0.2 . 1 . . 669 . . 569 ASN C . 25111 1 878 . 1 . 1 68 68 ASN CA C 13 52.750 0.049 . 1 . . 469 . . 569 ASN CA . 25111 1 879 . 1 . 1 68 68 ASN CB C 13 39.855 0.04 . 1 . . 585 . . 569 ASN CB . 25111 1 880 . 1 . 1 68 68 ASN N N 15 117.097 0.017 . 1 . . 1896 . . 569 ASN N . 25111 1 881 . 1 . 1 68 68 ASN ND2 N 15 112.813 0.024 . 1 . . 1897 . . 569 ASN ND2 . 25111 1 882 . 1 . 1 69 69 LYS H H 1 8.018 0.007 . 1 . . 1931 . . 570 LYS H . 25111 1 883 . 1 . 1 69 69 LYS HA H 1 4.345 0.004 . 1 . . 739 . . 570 LYS HA . 25111 1 884 . 1 . 1 69 69 LYS HB2 H 1 1.754 0.008 . 2 . . 895 . . 570 LYS HB2 . 25111 1 885 . 1 . 1 69 69 LYS HB3 H 1 1.742 0.006 . 2 . . 1592 . . 570 LYS HB3 . 25111 1 886 . 1 . 1 69 69 LYS HG2 H 1 1.418 0.004 . 1 . . 1603 . . 570 LYS HG2 . 25111 1 887 . 1 . 1 69 69 LYS HD2 H 1 1.662 0.007 . 2 . . 1608 . . 570 LYS HD2 . 25111 1 888 . 1 . 1 69 69 LYS HD3 H 1 1.662 0.004 . 2 . . 1609 . . 570 LYS HD3 . 25111 1 889 . 1 . 1 69 69 LYS HE2 H 1 2.981 0.007 . 2 . . 1611 . . 570 LYS HE2 . 25111 1 890 . 1 . 1 69 69 LYS HE3 H 1 2.981 0.007 . 2 . . 1613 . . 570 LYS HE3 . 25111 1 891 . 1 . 1 69 69 LYS C C 13 176.291 0.2 . 1 . . 670 . . 570 LYS C . 25111 1 892 . 1 . 1 69 69 LYS CA C 13 56.241 0.064 . 1 . . 311 . . 570 LYS CA . 25111 1 893 . 1 . 1 69 69 LYS CB C 13 33.016 0.053 . 1 . . 312 . . 570 LYS CB . 25111 1 894 . 1 . 1 69 69 LYS CG C 13 24.852 0.002 . 1 . . 1604 . . 570 LYS CG . 25111 1 895 . 1 . 1 69 69 LYS CD C 13 29.129 0.027 . 1 . . 1610 . . 570 LYS CD . 25111 1 896 . 1 . 1 69 69 LYS CE C 13 42.228 0.015 . 1 . . 1612 . . 570 LYS CE . 25111 1 897 . 1 . 1 69 69 LYS N N 15 120.250 0.031 . 1 . . 1930 . . 570 LYS N . 25111 1 898 . 1 . 1 70 70 GLU H H 1 8.675 0.006 . 1 . . 1880 . . 571 GLU H . 25111 1 899 . 1 . 1 70 70 GLU HA H 1 4.672 0.008 . 1 . . 506 . . 571 GLU HA . 25111 1 900 . 1 . 1 70 70 GLU HB2 H 1 1.856 0.004 . 2 . . 1170 . . 571 GLU HB2 . 25111 1 901 . 1 . 1 70 70 GLU HB3 H 1 1.858 0.009 . 2 . . 1528 . . 571 GLU HB3 . 25111 1 902 . 1 . 1 70 70 GLU HG2 H 1 2.071 0.006 . 2 . . 1171 . . 571 GLU HG2 . 25111 1 903 . 1 . 1 70 70 GLU HG3 H 1 2.154 0.004 . 2 . . 1172 . . 571 GLU HG3 . 25111 1 904 . 1 . 1 70 70 GLU C C 13 175.543 0.2 . 1 . . 671 . . 571 GLU C . 25111 1 905 . 1 . 1 70 70 GLU CA C 13 56.406 0.026 . 1 . . 309 . . 571 GLU CA . 25111 1 906 . 1 . 1 70 70 GLU CB C 13 31.591 0.052 . 1 . . 310 . . 571 GLU CB . 25111 1 907 . 1 . 1 70 70 GLU CG C 13 36.174 0.034 . 1 . . 1173 . . 571 GLU CG . 25111 1 908 . 1 . 1 70 70 GLU N N 15 123.695 0.018 . 1 . . 1879 . . 571 GLU N . 25111 1 909 . 1 . 1 71 71 MET H H 1 8.257 0.009 . 1 . . 1890 . . 572 MET H . 25111 1 910 . 1 . 1 71 71 MET HA H 1 4.702 0.006 . 1 . . 740 . . 572 MET HA . 25111 1 911 . 1 . 1 71 71 MET HB2 H 1 2.022 0.007 . 2 . . 896 . . 572 MET HB2 . 25111 1 912 . 1 . 1 71 71 MET HB3 H 1 1.936 0.007 . 2 . . 897 . . 572 MET HB3 . 25111 1 913 . 1 . 1 71 71 MET HG2 H 1 2.355 0.005 . 2 . . 898 . . 572 MET HG2 . 25111 1 914 . 1 . 1 71 71 MET HG3 H 1 2.419 0.007 . 2 . . 899 . . 572 MET HG3 . 25111 1 915 . 1 . 1 71 71 MET HE1 H 1 2.020 0.004 . 1 . . 1575 . . 572 MET HE1 . 25111 1 916 . 1 . 1 71 71 MET HE2 H 1 2.020 0.004 . 1 . . 1575 . . 572 MET HE2 . 25111 1 917 . 1 . 1 71 71 MET HE3 H 1 2.020 0.004 . 1 . . 1575 . . 572 MET HE3 . 25111 1 918 . 1 . 1 71 71 MET C C 13 174.177 0.2 . 1 . . 672 . . 572 MET C . 25111 1 919 . 1 . 1 71 71 MET CA C 13 54.526 0.027 . 1 . . 307 . . 572 MET CA . 25111 1 920 . 1 . 1 71 71 MET CB C 13 35.469 0.047 . 1 . . 308 . . 572 MET CB . 25111 1 921 . 1 . 1 71 71 MET CG C 13 31.612 0.025 . 1 . . 900 . . 572 MET CG . 25111 1 922 . 1 . 1 71 71 MET CE C 13 17.102 0.032 . 1 . . 1576 . . 572 MET CE . 25111 1 923 . 1 . 1 71 71 MET N N 15 122.518 0.022 . 1 . . 1889 . . 572 MET N . 25111 1 924 . 1 . 1 72 72 LYS H H 1 8.532 0.004 . 1 . . 1918 . . 573 LYS H . 25111 1 925 . 1 . 1 72 72 LYS HA H 1 5.407 0.006 . 1 . . 488 . . 573 LYS HA . 25111 1 926 . 1 . 1 72 72 LYS HB2 H 1 1.664 0.006 . 2 . . 901 . . 573 LYS HB2 . 25111 1 927 . 1 . 1 72 72 LYS HB3 H 1 1.504 0.005 . 2 . . 902 . . 573 LYS HB3 . 25111 1 928 . 1 . 1 72 72 LYS HG2 H 1 1.304 0.003 . 2 . . 903 . . 573 LYS HG2 . 25111 1 929 . 1 . 1 72 72 LYS HG3 H 1 1.308 0.005 . 2 . . 1553 . . 573 LYS HG3 . 25111 1 930 . 1 . 1 72 72 LYS HD2 H 1 1.403 0.004 . 2 . . 905 . . 573 LYS HD2 . 25111 1 931 . 1 . 1 72 72 LYS HD3 H 1 1.482 0.007 . 2 . . 1313 . . 573 LYS HD3 . 25111 1 932 . 1 . 1 72 72 LYS HE2 H 1 2.783 0.003 . 2 . . 1316 . . 573 LYS HE2 . 25111 1 933 . 1 . 1 72 72 LYS HE3 H 1 2.756 0.005 . 2 . . 1317 . . 573 LYS HE3 . 25111 1 934 . 1 . 1 72 72 LYS C C 13 176.434 0.2 . 1 . . 673 . . 573 LYS C . 25111 1 935 . 1 . 1 72 72 LYS CA C 13 54.881 0.029 . 1 . . 306 . . 573 LYS CA . 25111 1 936 . 1 . 1 72 72 LYS CB C 13 34.573 0.035 . 1 . . 305 . . 573 LYS CB . 25111 1 937 . 1 . 1 72 72 LYS CG C 13 25.172 0.034 . 1 . . 904 . . 573 LYS CG . 25111 1 938 . 1 . 1 72 72 LYS CD C 13 28.981 0.039 . 1 . . 1314 . . 573 LYS CD . 25111 1 939 . 1 . 1 72 72 LYS CE C 13 42.436 0.012 . 1 . . 1315 . . 573 LYS CE . 25111 1 940 . 1 . 1 72 72 LYS N N 15 123.416 0.018 . 1 . . 1917 . . 573 LYS N . 25111 1 941 . 1 . 1 73 73 LEU H H 1 8.613 0.005 . 1 . . 1805 . . 574 LEU H . 25111 1 942 . 1 . 1 73 73 LEU HA H 1 4.669 0.005 . 1 . . 498 . . 574 LEU HA . 25111 1 943 . 1 . 1 73 73 LEU HB2 H 1 1.297 0.005 . 2 . . 906 . . 574 LEU HB2 . 25111 1 944 . 1 . 1 73 73 LEU HB3 H 1 1.352 0.006 . 2 . . 907 . . 574 LEU HB3 . 25111 1 945 . 1 . 1 73 73 LEU HG H 1 1.265 0.004 . 1 . . 911 . . 574 LEU HG . 25111 1 946 . 1 . 1 73 73 LEU HD11 H 1 0.636 0.01 . 2 . . 908 . . 574 LEU HD11 . 25111 1 947 . 1 . 1 73 73 LEU HD12 H 1 0.636 0.01 . 2 . . 908 . . 574 LEU HD12 . 25111 1 948 . 1 . 1 73 73 LEU HD13 H 1 0.636 0.01 . 2 . . 908 . . 574 LEU HD13 . 25111 1 949 . 1 . 1 73 73 LEU HD21 H 1 0.884 0.003 . 2 . . 910 . . 574 LEU HD21 . 25111 1 950 . 1 . 1 73 73 LEU HD22 H 1 0.884 0.003 . 2 . . 910 . . 574 LEU HD22 . 25111 1 951 . 1 . 1 73 73 LEU HD23 H 1 0.884 0.003 . 2 . . 910 . . 574 LEU HD23 . 25111 1 952 . 1 . 1 73 73 LEU C C 13 175.117 0.2 . 1 . . 674 . . 574 LEU C . 25111 1 953 . 1 . 1 73 73 LEU CA C 13 53.562 0.026 . 1 . . 302 . . 574 LEU CA . 25111 1 954 . 1 . 1 73 73 LEU CB C 13 45.957 0.038 . 1 . . 301 . . 574 LEU CB . 25111 1 955 . 1 . 1 73 73 LEU CG C 13 26.789 0.025 . 1 . . 912 . . 574 LEU CG . 25111 1 956 . 1 . 1 73 73 LEU CD1 C 13 26.315 0.022 . 2 . . 909 . . 574 LEU CD1 . 25111 1 957 . 1 . 1 73 73 LEU CD2 C 13 23.025 0.02 . 2 . . 1363 . . 574 LEU CD2 . 25111 1 958 . 1 . 1 73 73 LEU N N 15 121.903 0.018 . 1 . . 1804 . . 574 LEU N . 25111 1 959 . 1 . 1 74 74 SER H H 1 8.330 0.004 . 1 . . 1884 . . 575 SER H . 25111 1 960 . 1 . 1 74 74 SER HA H 1 5.719 0.006 . 1 . . 483 . . 575 SER HA . 25111 1 961 . 1 . 1 74 74 SER HB2 H 1 3.799 0.006 . 2 . . 913 . . 575 SER HB2 . 25111 1 962 . 1 . 1 74 74 SER HB3 H 1 3.934 0.005 . 2 . . 914 . . 575 SER HB3 . 25111 1 963 . 1 . 1 74 74 SER C C 13 173.946 0.2 . 1 . . 675 . . 575 SER C . 25111 1 964 . 1 . 1 74 74 SER CA C 13 55.737 0.03 . 1 . . 304 . . 575 SER CA . 25111 1 965 . 1 . 1 74 74 SER CB C 13 65.836 0.017 . 1 . . 303 . . 575 SER CB . 25111 1 966 . 1 . 1 74 74 SER N N 15 114.062 0.024 . 1 . . 1883 . . 575 SER N . 25111 1 967 . 1 . 1 75 75 ASP H H 1 9.327 0.005 . 1 . . 1908 . . 576 ASP H . 25111 1 968 . 1 . 1 75 75 ASP HA H 1 3.841 0.004 . 1 . . 1175 . . 576 ASP HA . 25111 1 969 . 1 . 1 75 75 ASP HB2 H 1 2.807 0.009 . 2 . . 1176 . . 576 ASP HB2 . 25111 1 970 . 1 . 1 75 75 ASP HB3 H 1 2.716 0.007 . 2 . . 1177 . . 576 ASP HB3 . 25111 1 971 . 1 . 1 75 75 ASP C C 13 176.485 0.2 . 1 . . 676 . . 576 ASP C . 25111 1 972 . 1 . 1 75 75 ASP CA C 13 56.372 0.044 . 1 . . 1174 . . 576 ASP CA . 25111 1 973 . 1 . 1 75 75 ASP CB C 13 40.104 0.034 . 1 . . 319 . . 576 ASP CB . 25111 1 974 . 1 . 1 75 75 ASP N N 15 116.535 0.011 . 1 . . 1907 . . 576 ASP N . 25111 1 975 . 1 . 1 76 76 GLY H H 1 9.163 0.005 . 1 . . 1935 . . 577 GLY H . 25111 1 976 . 1 . 1 76 76 GLY HA2 H 1 4.599 0.008 . 2 . . 511 . . 577 GLY HA2 . 25111 1 977 . 1 . 1 76 76 GLY HA3 H 1 3.788 0.007 . 2 . . 1076 . . 577 GLY HA3 . 25111 1 978 . 1 . 1 76 76 GLY C C 13 174.679 0.2 . 1 . . 677 . . 577 GLY C . 25111 1 979 . 1 . 1 76 76 GLY CA C 13 45.403 0.058 . 1 . . 432 . . 577 GLY CA . 25111 1 980 . 1 . 1 76 76 GLY N N 15 112.879 0.018 . 1 . . 1934 . . 577 GLY N . 25111 1 981 . 1 . 1 77 77 SER H H 1 8.199 0.004 . 1 . . 1953 . . 578 SER H . 25111 1 982 . 1 . 1 77 77 SER HA H 1 4.807 0.007 . 1 . . 478 . . 578 SER HA . 25111 1 983 . 1 . 1 77 77 SER HB2 H 1 4.025 0.009 . 2 . . 915 . . 578 SER HB2 . 25111 1 984 . 1 . 1 77 77 SER HB3 H 1 4.092 0.004 . 2 . . 916 . . 578 SER HB3 . 25111 1 985 . 1 . 1 77 77 SER C C 13 170.938 0.2 . 1 . . 678 . . 578 SER C . 25111 1 986 . 1 . 1 77 77 SER CA C 13 58.590 0.041 . 1 . . 587 . . 578 SER CA . 25111 1 987 . 1 . 1 77 77 SER CB C 13 64.793 0.026 . 1 . . 586 . . 578 SER CB . 25111 1 988 . 1 . 1 77 77 SER N N 15 115.726 0.029 . 1 . . 1952 . . 578 SER N . 25111 1 989 . 1 . 1 78 78 TYR H H 1 7.621 0.007 . 1 . . 1669 . . 579 TYR H . 25111 1 990 . 1 . 1 78 78 TYR HA H 1 5.433 0.006 . 1 . . 1077 . . 579 TYR HA . 25111 1 991 . 1 . 1 78 78 TYR HB2 H 1 2.460 0.007 . 2 . . 1078 . . 579 TYR HB2 . 25111 1 992 . 1 . 1 78 78 TYR HB3 H 1 2.873 0.009 . 2 . . 1079 . . 579 TYR HB3 . 25111 1 993 . 1 . 1 78 78 TYR HD1 H 1 7.004 0.01 . 3 . . 1392 . . 579 TYR HD1 . 25111 1 994 . 1 . 1 78 78 TYR HD2 H 1 7.004 0.01 . 3 . . 1392 . . 579 TYR HD2 . 25111 1 995 . 1 . 1 78 78 TYR HE1 H 1 6.820 0.011 . 3 . . 1394 . . 579 TYR HE1 . 25111 1 996 . 1 . 1 78 78 TYR HE2 H 1 6.820 0.011 . 3 . . 1394 . . 579 TYR HE2 . 25111 1 997 . 1 . 1 78 78 TYR C C 13 173.461 0.2 . 1 . . 679 . . 579 TYR C . 25111 1 998 . 1 . 1 78 78 TYR CA C 13 55.099 0.039 . 1 . . 435 . . 579 TYR CA . 25111 1 999 . 1 . 1 78 78 TYR CB C 13 41.604 0.059 . 1 . . 436 . . 579 TYR CB . 25111 1 1000 . 1 . 1 78 78 TYR CD1 C 13 134.484 0.038 . 3 . . 1393 . . 579 TYR CD1 . 25111 1 1001 . 1 . 1 78 78 TYR CD2 C 13 134.484 0.038 . 3 . . 1393 . . 579 TYR CD2 . 25111 1 1002 . 1 . 1 78 78 TYR CE1 C 13 118.135 0.023 . 3 . . 1395 . . 579 TYR CE1 . 25111 1 1003 . 1 . 1 78 78 TYR CE2 C 13 118.135 0.023 . 3 . . 1395 . . 579 TYR CE2 . 25111 1 1004 . 1 . 1 78 78 TYR N N 15 115.256 0.029 . 1 . . 1668 . . 579 TYR N . 25111 1 1005 . 1 . 1 79 79 PHE H H 1 8.645 0.005 . 1 . . 1838 . . 580 PHE H . 25111 1 1006 . 1 . 1 79 79 PHE HA H 1 5.173 0.007 . 1 . . 509 . . 580 PHE HA . 25111 1 1007 . 1 . 1 79 79 PHE HB2 H 1 2.934 0.01 . 2 . . 1080 . . 580 PHE HB2 . 25111 1 1008 . 1 . 1 79 79 PHE HB3 H 1 3.117 0.007 . 2 . . 1081 . . 580 PHE HB3 . 25111 1 1009 . 1 . 1 79 79 PHE HD1 H 1 6.669 0.009 . 3 . . 1404 . . 580 PHE HD1 . 25111 1 1010 . 1 . 1 79 79 PHE HD2 H 1 6.669 0.009 . 3 . . 1404 . . 580 PHE HD2 . 25111 1 1011 . 1 . 1 79 79 PHE HE1 H 1 6.573 0.01 . 3 . . 1406 . . 580 PHE HE1 . 25111 1 1012 . 1 . 1 79 79 PHE HE2 H 1 6.573 0.01 . 3 . . 1406 . . 580 PHE HE2 . 25111 1 1013 . 1 . 1 79 79 PHE HZ H 1 6.321 0.011 . 1 . . 1408 . . 580 PHE HZ . 25111 1 1014 . 1 . 1 79 79 PHE C C 13 174.461 0.2 . 1 . . 680 . . 580 PHE C . 25111 1 1015 . 1 . 1 79 79 PHE CA C 13 57.122 0.059 . 1 . . 438 . . 580 PHE CA . 25111 1 1016 . 1 . 1 79 79 PHE CB C 13 39.198 0.05 . 1 . . 437 . . 580 PHE CB . 25111 1 1017 . 1 . 1 79 79 PHE CD1 C 13 132.107 0.073 . 3 . . 1405 . . 580 PHE CD1 . 25111 1 1018 . 1 . 1 79 79 PHE CD2 C 13 132.107 0.073 . 3 . . 1405 . . 580 PHE CD2 . 25111 1 1019 . 1 . 1 79 79 PHE CE1 C 13 130.367 0.027 . 3 . . 1407 . . 580 PHE CE1 . 25111 1 1020 . 1 . 1 79 79 PHE CE2 C 13 130.367 0.027 . 3 . . 1407 . . 580 PHE CE2 . 25111 1 1021 . 1 . 1 79 79 PHE CZ C 13 128.999 0.06 . 1 . . 1409 . . 580 PHE CZ . 25111 1 1022 . 1 . 1 79 79 PHE N N 15 111.459 0.024 . 1 . . 1837 . . 580 PHE N . 25111 1 1023 . 1 . 1 80 80 GLY H H 1 9.165 0.006 . 1 . . 1801 . . 581 GLY H . 25111 1 1024 . 1 . 1 80 80 GLY HA2 H 1 4.045 0.016 . 2 . . 1168 . . 581 GLY HA2 . 25111 1 1025 . 1 . 1 80 80 GLY HA3 H 1 4.175 0.009 . 2 . . 1169 . . 581 GLY HA3 . 25111 1 1026 . 1 . 1 80 80 GLY CA C 13 45.889 0.056 . 1 . . 588 . . 581 GLY CA . 25111 1 1027 . 1 . 1 80 80 GLY N N 15 107.816 0.028 . 1 . . 1800 . . 581 GLY N . 25111 1 1028 . 1 . 1 81 81 GLU H H 1 9.153 0.005 . 1 . . 1820 . . 582 GLU H . 25111 1 1029 . 1 . 1 81 81 GLU HA H 1 4.133 0.001 . 1 . . 1627 . . 582 GLU HA . 25111 1 1030 . 1 . 1 81 81 GLU HB2 H 1 1.711 0.003 . 2 . . 1618 . . 582 GLU HB2 . 25111 1 1031 . 1 . 1 81 81 GLU HB3 H 1 2.092 0.01 . 2 . . 1621 . . 582 GLU HB3 . 25111 1 1032 . 1 . 1 81 81 GLU HG2 H 1 2.140 0.009 . 2 . . 1624 . . 582 GLU HG2 . 25111 1 1033 . 1 . 1 81 81 GLU HG3 H 1 2.144 0.006 . 2 . . 1625 . . 582 GLU HG3 . 25111 1 1034 . 1 . 1 81 81 GLU CB C 13 26.325 0.037 . 1 . . 1619 . . 582 GLU CB . 25111 1 1035 . 1 . 1 81 81 GLU CG C 13 31.800 0.033 . 1 . . 1623 . . 582 GLU CG . 25111 1 1036 . 1 . 1 82 82 ILE H H 1 8.362 0.013 . 1 . . 1856 . . 583 ILE H . 25111 1 1037 . 1 . 1 82 82 ILE HA H 1 3.853 0.004 . 1 . . 1585 . . 583 ILE HA . 25111 1 1038 . 1 . 1 82 82 ILE HB H 1 1.963 0.011 . 1 . . 1579 . . 583 ILE HB . 25111 1 1039 . 1 . 1 82 82 ILE HG12 H 1 1.315 0.004 . 2 . . 1582 . . 583 ILE HG12 . 25111 1 1040 . 1 . 1 82 82 ILE HG13 H 1 1.482 0.005 . 2 . . 1584 . . 583 ILE HG13 . 25111 1 1041 . 1 . 1 82 82 ILE HG21 H 1 0.862 0.006 . 1 . . 1577 . . 583 ILE HG21 . 25111 1 1042 . 1 . 1 82 82 ILE HG22 H 1 0.862 0.006 . 1 . . 1577 . . 583 ILE HG22 . 25111 1 1043 . 1 . 1 82 82 ILE HG23 H 1 0.862 0.006 . 1 . . 1577 . . 583 ILE HG23 . 25111 1 1044 . 1 . 1 82 82 ILE HD11 H 1 0.839 0.01 . 1 . . 1580 . . 583 ILE HD11 . 25111 1 1045 . 1 . 1 82 82 ILE HD12 H 1 0.839 0.01 . 1 . . 1580 . . 583 ILE HD12 . 25111 1 1046 . 1 . 1 82 82 ILE HD13 H 1 0.839 0.01 . 1 . . 1580 . . 583 ILE HD13 . 25111 1 1047 . 1 . 1 82 82 ILE CA C 13 63.196 0.049 . 1 . . 1587 . . 583 ILE CA . 25111 1 1048 . 1 . 1 82 82 ILE CB C 13 36.955 0.018 . 1 . . 1586 . . 583 ILE CB . 25111 1 1049 . 1 . 1 82 82 ILE CG1 C 13 29.285 0.024 . 1 . . 1583 . . 583 ILE CG1 . 25111 1 1050 . 1 . 1 82 82 ILE CG2 C 13 18.088 0.035 . 1 . . 1578 . . 583 ILE CG2 . 25111 1 1051 . 1 . 1 82 82 ILE CD1 C 13 13.212 0.159 . 1 . . 1581 . . 583 ILE CD1 . 25111 1 1052 . 1 . 1 83 83 CYS H H 1 8.748 0.05 . 1 . . 1893 . . 584 CYS H . 25111 1 1053 . 1 . 1 83 83 CYS HA H 1 4.653 0.01 . 1 . . 1227 . . 584 CYS HA . 25111 1 1054 . 1 . 1 83 83 CYS HB2 H 1 2.783 0.004 . 2 . . 1229 . . 584 CYS HB2 . 25111 1 1055 . 1 . 1 83 83 CYS HB3 H 1 2.861 0.004 . 2 . . 1230 . . 584 CYS HB3 . 25111 1 1056 . 1 . 1 83 83 CYS HG H 1 8.486 0.012 . 1 . . 1598 . . 584 CYS HG . 25111 1 1057 . 1 . 1 83 83 CYS C C 13 174.549 0.2 . 1 . . 1380 . . 584 CYS C . 25111 1 1058 . 1 . 1 83 83 CYS CA C 13 59.522 0.033 . 1 . . 1228 . . 584 CYS CA . 25111 1 1059 . 1 . 1 83 83 CYS CB C 13 27.171 0.034 . 1 . . 1231 . . 584 CYS CB . 25111 1 1060 . 1 . 1 84 84 LEU H H 1 7.325 0.009 . 1 . . 1738 . . 585 LEU H . 25111 1 1061 . 1 . 1 84 84 LEU HA H 1 3.861 0.006 . 1 . . 757 . . 585 LEU HA . 25111 1 1062 . 1 . 1 84 84 LEU HB2 H 1 1.304 0.009 . 2 . . 1320 . . 585 LEU HB2 . 25111 1 1063 . 1 . 1 84 84 LEU HB3 H 1 0.757 0.009 . 2 . . 1321 . . 585 LEU HB3 . 25111 1 1064 . 1 . 1 84 84 LEU HG H 1 1.309 0.005 . 1 . . 1387 . . 585 LEU HG . 25111 1 1065 . 1 . 1 84 84 LEU HD11 H 1 0.165 0.005 . 2 . . 1388 . . 585 LEU HD11 . 25111 1 1066 . 1 . 1 84 84 LEU HD12 H 1 0.165 0.005 . 2 . . 1388 . . 585 LEU HD12 . 25111 1 1067 . 1 . 1 84 84 LEU HD13 H 1 0.165 0.005 . 2 . . 1388 . . 585 LEU HD13 . 25111 1 1068 . 1 . 1 84 84 LEU HD21 H 1 0.233 0.005 . 2 . . 1389 . . 585 LEU HD21 . 25111 1 1069 . 1 . 1 84 84 LEU HD22 H 1 0.233 0.005 . 2 . . 1389 . . 585 LEU HD22 . 25111 1 1070 . 1 . 1 84 84 LEU HD23 H 1 0.233 0.005 . 2 . . 1389 . . 585 LEU HD23 . 25111 1 1071 . 1 . 1 84 84 LEU C C 13 176.875 0.2 . 1 . . 1960 . . 585 LEU C . 25111 1 1072 . 1 . 1 84 84 LEU CA C 13 56.966 0.06 . 1 . . 1381 . . 585 LEU CA . 25111 1 1073 . 1 . 1 84 84 LEU CB C 13 40.817 0.023 . 1 . . 1322 . . 585 LEU CB . 25111 1 1074 . 1 . 1 84 84 LEU CG C 13 26.962 0.04 . 1 . . 1386 . . 585 LEU CG . 25111 1 1075 . 1 . 1 84 84 LEU CD1 C 13 21.596 0.026 . 2 . . 1391 . . 585 LEU CD1 . 25111 1 1076 . 1 . 1 84 84 LEU CD2 C 13 25.385 0.03 . 2 . . 1390 . . 585 LEU CD2 . 25111 1 1077 . 1 . 1 84 84 LEU N N 15 119.465 0.024 . 1 . . 1737 . . 585 LEU N . 25111 1 1078 . 1 . 1 85 85 LEU H H 1 7.322 0.007 . 1 . . 1832 . . 586 LEU H . 25111 1 1079 . 1 . 1 85 85 LEU HA H 1 4.476 0.005 . 1 . . 1205 . . 586 LEU HA . 25111 1 1080 . 1 . 1 85 85 LEU HB2 H 1 1.625 0.006 . 2 . . 1206 . . 586 LEU HB2 . 25111 1 1081 . 1 . 1 85 85 LEU HB3 H 1 1.726 0.004 . 2 . . 1207 . . 586 LEU HB3 . 25111 1 1082 . 1 . 1 85 85 LEU HG H 1 1.521 0.006 . 1 . . 1209 . . 586 LEU HG . 25111 1 1083 . 1 . 1 85 85 LEU HD11 H 1 0.790 0.007 . 2 . . 1326 . . 586 LEU HD11 . 25111 1 1084 . 1 . 1 85 85 LEU HD12 H 1 0.790 0.007 . 2 . . 1326 . . 586 LEU HD12 . 25111 1 1085 . 1 . 1 85 85 LEU HD13 H 1 0.790 0.007 . 2 . . 1326 . . 586 LEU HD13 . 25111 1 1086 . 1 . 1 85 85 LEU HD21 H 1 0.795 0.006 . 2 . . 1535 . . 586 LEU HD21 . 25111 1 1087 . 1 . 1 85 85 LEU HD22 H 1 0.795 0.006 . 2 . . 1535 . . 586 LEU HD22 . 25111 1 1088 . 1 . 1 85 85 LEU HD23 H 1 0.795 0.006 . 2 . . 1535 . . 586 LEU HD23 . 25111 1 1089 . 1 . 1 85 85 LEU C C 13 177.436 0.2 . 1 . . 1376 . . 586 LEU C . 25111 1 1090 . 1 . 1 85 85 LEU CA C 13 55.175 0.027 . 1 . . 1204 . . 586 LEU CA . 25111 1 1091 . 1 . 1 85 85 LEU CB C 13 43.960 0.015 . 1 . . 1208 . . 586 LEU CB . 25111 1 1092 . 1 . 1 85 85 LEU CG C 13 27.195 0.023 . 1 . . 1325 . . 586 LEU CG . 25111 1 1093 . 1 . 1 85 85 LEU CD1 C 13 23.040 0.084 . 2 . . 1327 . . 586 LEU CD1 . 25111 1 1094 . 1 . 1 85 85 LEU CD2 C 13 25.704 0.024 . 2 . . 1536 . . 586 LEU CD2 . 25111 1 1095 . 1 . 1 85 85 LEU N N 15 113.784 0.033 . 1 . . 1831 . . 586 LEU N . 25111 1 1096 . 1 . 1 86 86 THR H H 1 7.801 0.005 . 1 . . 1872 . . 587 THR H . 25111 1 1097 . 1 . 1 86 86 THR HA H 1 4.512 0.004 . 1 . . 500 . . 587 THR HA . 25111 1 1098 . 1 . 1 86 86 THR HB H 1 4.083 0.005 . 1 . . 1159 . . 587 THR HB . 25111 1 1099 . 1 . 1 86 86 THR HG21 H 1 1.084 0.004 . 1 . . 1160 . . 587 THR HG21 . 25111 1 1100 . 1 . 1 86 86 THR HG22 H 1 1.084 0.004 . 1 . . 1160 . . 587 THR HG22 . 25111 1 1101 . 1 . 1 86 86 THR HG23 H 1 1.084 0.004 . 1 . . 1160 . . 587 THR HG23 . 25111 1 1102 . 1 . 1 86 86 THR CA C 13 60.863 0.029 . 1 . . 1190 . . 587 THR CA . 25111 1 1103 . 1 . 1 86 86 THR CB C 13 71.018 0.029 . 1 . . 1158 . . 587 THR CB . 25111 1 1104 . 1 . 1 86 86 THR CG2 C 13 21.012 0.02 . 1 . . 1165 . . 587 THR CG2 . 25111 1 1105 . 1 . 1 86 86 THR N N 15 111.106 0.021 . 1 . . 1871 . . 587 THR N . 25111 1 1106 . 1 . 1 87 87 ARG H H 1 8.397 0.004 . 1 . . 1904 . . 588 ARG H . 25111 1 1107 . 1 . 1 87 87 ARG HA H 1 4.518 0.013 . 1 . . 1288 . . 588 ARG HA . 25111 1 1108 . 1 . 1 87 87 ARG HB2 H 1 1.800 0.005 . 2 . . 1290 . . 588 ARG HB2 . 25111 1 1109 . 1 . 1 87 87 ARG HB3 H 1 1.919 0.003 . 2 . . 1520 . . 588 ARG HB3 . 25111 1 1110 . 1 . 1 87 87 ARG HG2 H 1 1.598 0.006 . 2 . . 1292 . . 588 ARG HG2 . 25111 1 1111 . 1 . 1 87 87 ARG HG3 H 1 1.654 0.014 . 2 . . 1294 . . 588 ARG HG3 . 25111 1 1112 . 1 . 1 87 87 ARG HD2 H 1 3.216 0.002 . 2 . . 1295 . . 588 ARG HD2 . 25111 1 1113 . 1 . 1 87 87 ARG HD3 H 1 3.215 0.003 . 2 . . 1297 . . 588 ARG HD3 . 25111 1 1114 . 1 . 1 87 87 ARG HE H 1 7.469 0.001 . 1 . . 1905 . . 588 ARG HE . 25111 1 1115 . 1 . 1 87 87 ARG CA C 13 55.884 0.031 . 1 . . 1289 . . 588 ARG CA . 25111 1 1116 . 1 . 1 87 87 ARG CB C 13 29.891 0.033 . 1 . . 1291 . . 588 ARG CB . 25111 1 1117 . 1 . 1 87 87 ARG CG C 13 27.549 0.019 . 1 . . 1293 . . 588 ARG CG . 25111 1 1118 . 1 . 1 87 87 ARG CD C 13 43.418 0.035 . 1 . . 1296 . . 588 ARG CD . 25111 1 1119 . 1 . 1 87 87 ARG N N 15 122.899 0.029 . 1 . . 1903 . . 588 ARG N . 25111 1 1120 . 1 . 1 87 87 ARG NE N 15 83.839 0.5 . 1 . . 1906 . . 588 ARG NE . 25111 1 1121 . 1 . 1 88 88 GLY H H 1 8.241 0.005 . 1 . . 1653 . . 589 GLY H . 25111 1 1122 . 1 . 1 88 88 GLY HA2 H 1 4.118 0.003 . 2 . . 1250 . . 589 GLY HA2 . 25111 1 1123 . 1 . 1 88 88 GLY HA3 H 1 3.923 0.007 . 2 . . 1251 . . 589 GLY HA3 . 25111 1 1124 . 1 . 1 88 88 GLY C C 13 173.242 0.2 . 1 . . 1375 . . 589 GLY C . 25111 1 1125 . 1 . 1 88 88 GLY CA C 13 45.053 0.028 . 1 . . 1249 . . 589 GLY CA . 25111 1 1126 . 1 . 1 88 88 GLY N N 15 109.290 0.038 . 1 . . 1652 . . 589 GLY N . 25111 1 1127 . 1 . 1 89 89 ARG H H 1 8.404 0.006 . 1 . . 1920 . . 590 ARG H . 25111 1 1128 . 1 . 1 89 89 ARG C C 13 177.456 0.2 . 1 . . 1374 . . 590 ARG C . 25111 1 1129 . 1 . 1 89 89 ARG CA C 13 55.498 0.2 . 1 . . 1370 . . 590 ARG CA . 25111 1 1130 . 1 . 1 89 89 ARG N N 15 119.212 0.012 . 1 . . 1919 . . 590 ARG N . 25111 1 1131 . 1 . 1 90 90 ARG H H 1 9.156 0.008 . 1 . . 1647 . . 591 ARG H . 25111 1 1132 . 1 . 1 90 90 ARG HA H 1 4.564 0.005 . 1 . . 1193 . . 591 ARG HA . 25111 1 1133 . 1 . 1 90 90 ARG HB2 H 1 1.445 0.005 . 2 . . 1195 . . 591 ARG HB2 . 25111 1 1134 . 1 . 1 90 90 ARG HB3 H 1 1.631 0.005 . 2 . . 1196 . . 591 ARG HB3 . 25111 1 1135 . 1 . 1 90 90 ARG HG2 H 1 1.613 0.008 . 2 . . 1198 . . 591 ARG HG2 . 25111 1 1136 . 1 . 1 90 90 ARG HG3 H 1 1.404 0.008 . 2 . . 1199 . . 591 ARG HG3 . 25111 1 1137 . 1 . 1 90 90 ARG HD2 H 1 3.088 0.008 . 2 . . 1201 . . 591 ARG HD2 . 25111 1 1138 . 1 . 1 90 90 ARG HD3 H 1 3.122 0.006 . 2 . . 1202 . . 591 ARG HD3 . 25111 1 1139 . 1 . 1 90 90 ARG HE H 1 7.289 0.015 . 1 . . 1648 . . 591 ARG HE . 25111 1 1140 . 1 . 1 90 90 ARG C C 13 179.248 0.2 . 1 . . 1377 . . 591 ARG C . 25111 1 1141 . 1 . 1 90 90 ARG CA C 13 55.477 0.033 . 1 . . 1194 . . 591 ARG CA . 25111 1 1142 . 1 . 1 90 90 ARG CB C 13 31.700 0.033 . 1 . . 1197 . . 591 ARG CB . 25111 1 1143 . 1 . 1 90 90 ARG CG C 13 28.259 0.02 . 1 . . 1200 . . 591 ARG CG . 25111 1 1144 . 1 . 1 90 90 ARG CD C 13 43.214 0.02 . 1 . . 1203 . . 591 ARG CD . 25111 1 1145 . 1 . 1 90 90 ARG N N 15 120.591 0.05 . 1 . . 1646 . . 591 ARG N . 25111 1 1146 . 1 . 1 90 90 ARG NE N 15 84.493 0.014 . 1 . . 1649 . . 591 ARG NE . 25111 1 1147 . 1 . 1 91 91 THR H H 1 8.945 0.012 . 1 . . 1815 . . 592 THR H . 25111 1 1148 . 1 . 1 91 91 THR HA H 1 4.454 0.008 . 1 . . 1191 . . 592 THR HA . 25111 1 1149 . 1 . 1 91 91 THR HB H 1 4.534 0.003 . 1 . . 1161 . . 592 THR HB . 25111 1 1150 . 1 . 1 91 91 THR HG1 H 1 7.481 0.008 . 1 . . 1629 . . 592 THR HG1 . 25111 1 1151 . 1 . 1 91 91 THR HG21 H 1 1.231 0.009 . 1 . . 1163 . . 592 THR HG21 . 25111 1 1152 . 1 . 1 91 91 THR HG22 H 1 1.231 0.009 . 1 . . 1163 . . 592 THR HG22 . 25111 1 1153 . 1 . 1 91 91 THR HG23 H 1 1.231 0.009 . 1 . . 1163 . . 592 THR HG23 . 25111 1 1154 . 1 . 1 91 91 THR CA C 13 61.788 0.043 . 1 . . 1192 . . 592 THR CA . 25111 1 1155 . 1 . 1 91 91 THR CB C 13 69.390 0.018 . 1 . . 1162 . . 592 THR CB . 25111 1 1156 . 1 . 1 91 91 THR CG2 C 13 21.811 0.06 . 1 . . 1164 . . 592 THR CG2 . 25111 1 1157 . 1 . 1 91 91 THR N N 15 115.873 0.027 . 1 . . 1814 . . 592 THR N . 25111 1 1158 . 1 . 1 92 92 ALA H H 1 8.452 0.003 . 1 . . 1847 . . 593 ALA H . 25111 1 1159 . 1 . 1 92 92 ALA HA H 1 4.723 0.022 . 1 . . 1226 . . 593 ALA HA . 25111 1 1160 . 1 . 1 92 92 ALA HB1 H 1 1.199 0.008 . 1 . . 1329 . . 593 ALA HB1 . 25111 1 1161 . 1 . 1 92 92 ALA HB2 H 1 1.199 0.008 . 1 . . 1329 . . 593 ALA HB2 . 25111 1 1162 . 1 . 1 92 92 ALA HB3 H 1 1.199 0.008 . 1 . . 1329 . . 593 ALA HB3 . 25111 1 1163 . 1 . 1 92 92 ALA CA C 13 51.409 0.044 . 1 . . 1225 . . 593 ALA CA . 25111 1 1164 . 1 . 1 92 92 ALA CB C 13 22.451 0.095 . 1 . . 1328 . . 593 ALA CB . 25111 1 1165 . 1 . 1 92 92 ALA N N 15 113.830 0.016 . 1 . . 1846 . . 593 ALA N . 25111 1 1166 . 1 . 1 93 93 SER HA H 1 4.818 0.007 . 1 . . 1143 . . 594 SER HA . 25111 1 1167 . 1 . 1 93 93 SER HB2 H 1 4.167 0.008 . 2 . . 1144 . . 594 SER HB2 . 25111 1 1168 . 1 . 1 93 93 SER HB3 H 1 3.947 0.005 . 2 . . 1248 . . 594 SER HB3 . 25111 1 1169 . 1 . 1 93 93 SER C C 13 172.570 0.2 . 1 . . 681 . . 594 SER C . 25111 1 1170 . 1 . 1 93 93 SER CA C 13 57.460 0.033 . 1 . . 591 . . 594 SER CA . 25111 1 1171 . 1 . 1 93 93 SER CB C 13 65.167 0.031 . 1 . . 590 . . 594 SER CB . 25111 1 1172 . 1 . 1 94 94 VAL H H 1 9.064 0.007 . 1 . . 1876 . . 595 VAL H . 25111 1 1173 . 1 . 1 94 94 VAL HA H 1 4.916 0.008 . 1 . . 753 . . 595 VAL HA . 25111 1 1174 . 1 . 1 94 94 VAL HB H 1 1.250 0.007 . 1 . . 917 . . 595 VAL HB . 25111 1 1175 . 1 . 1 94 94 VAL HG11 H 1 0.494 0.008 . 2 . . 918 . . 595 VAL HG11 . 25111 1 1176 . 1 . 1 94 94 VAL HG12 H 1 0.494 0.008 . 2 . . 918 . . 595 VAL HG12 . 25111 1 1177 . 1 . 1 94 94 VAL HG13 H 1 0.494 0.008 . 2 . . 918 . . 595 VAL HG13 . 25111 1 1178 . 1 . 1 94 94 VAL HG21 H 1 -0.292 0.006 . 2 . . 919 . . 595 VAL HG21 . 25111 1 1179 . 1 . 1 94 94 VAL HG22 H 1 -0.292 0.006 . 2 . . 919 . . 595 VAL HG22 . 25111 1 1180 . 1 . 1 94 94 VAL HG23 H 1 -0.292 0.006 . 2 . . 919 . . 595 VAL HG23 . 25111 1 1181 . 1 . 1 94 94 VAL C C 13 173.886 0.2 . 1 . . 682 . . 595 VAL C . 25111 1 1182 . 1 . 1 94 94 VAL CA C 13 61.377 0.026 . 1 . . 452 . . 595 VAL CA . 25111 1 1183 . 1 . 1 94 94 VAL CB C 13 34.372 0.039 . 1 . . 589 . . 595 VAL CB . 25111 1 1184 . 1 . 1 94 94 VAL CG1 C 13 21.208 0.015 . 2 . . 921 . . 595 VAL CG1 . 25111 1 1185 . 1 . 1 94 94 VAL CG2 C 13 20.529 0.014 . 2 . . 920 . . 595 VAL CG2 . 25111 1 1186 . 1 . 1 94 94 VAL N N 15 121.402 0.037 . 1 . . 1875 . . 595 VAL N . 25111 1 1187 . 1 . 1 95 95 ARG H H 1 8.822 0.006 . 1 . . 1793 . . 596 ARG H . 25111 1 1188 . 1 . 1 95 95 ARG HA H 1 4.581 0.007 . 1 . . 526 . . 596 ARG HA . 25111 1 1189 . 1 . 1 95 95 ARG HB2 H 1 0.735 0.009 . 2 . . 922 . . 596 ARG HB2 . 25111 1 1190 . 1 . 1 95 95 ARG HB3 H 1 1.284 0.005 . 2 . . 923 . . 596 ARG HB3 . 25111 1 1191 . 1 . 1 95 95 ARG HG2 H 1 0.937 0.003 . 2 . . 924 . . 596 ARG HG2 . 25111 1 1192 . 1 . 1 95 95 ARG HG3 H 1 0.590 0.004 . 2 . . 925 . . 596 ARG HG3 . 25111 1 1193 . 1 . 1 95 95 ARG HD2 H 1 2.609 0.008 . 2 . . 927 . . 596 ARG HD2 . 25111 1 1194 . 1 . 1 95 95 ARG HD3 H 1 2.764 0.006 . 2 . . 928 . . 596 ARG HD3 . 25111 1 1195 . 1 . 1 95 95 ARG HE H 1 6.612 0.015 . 1 . . 1792 . . 596 ARG HE . 25111 1 1196 . 1 . 1 95 95 ARG C C 13 174.206 0.2 . 1 . . 683 . . 596 ARG C . 25111 1 1197 . 1 . 1 95 95 ARG CA C 13 53.250 0.052 . 1 . . 385 . . 596 ARG CA . 25111 1 1198 . 1 . 1 95 95 ARG CB C 13 35.022 0.033 . 1 . . 384 . . 596 ARG CB . 25111 1 1199 . 1 . 1 95 95 ARG CG C 13 26.109 0.036 . 1 . . 926 . . 596 ARG CG . 25111 1 1200 . 1 . 1 95 95 ARG CD C 13 43.481 0.018 . 1 . . 929 . . 596 ARG CD . 25111 1 1201 . 1 . 1 95 95 ARG N N 15 129.813 0.035 . 1 . . 1791 . . 596 ARG N . 25111 1 1202 . 1 . 1 95 95 ARG NE N 15 83.647 0.029 . 1 . . 1794 . . 596 ARG NE . 25111 1 1203 . 1 . 1 96 96 ALA H H 1 8.825 0.004 . 1 . . 1684 . . 597 ALA H . 25111 1 1204 . 1 . 1 96 96 ALA HA H 1 4.146 0.005 . 1 . . 541 . . 597 ALA HA . 25111 1 1205 . 1 . 1 96 96 ALA HB1 H 1 1.455 0.004 . 1 . . 930 . . 597 ALA HB1 . 25111 1 1206 . 1 . 1 96 96 ALA HB2 H 1 1.455 0.004 . 1 . . 930 . . 597 ALA HB2 . 25111 1 1207 . 1 . 1 96 96 ALA HB3 H 1 1.455 0.004 . 1 . . 930 . . 597 ALA HB3 . 25111 1 1208 . 1 . 1 96 96 ALA C C 13 177.221 0.2 . 1 . . 684 . . 597 ALA C . 25111 1 1209 . 1 . 1 96 96 ALA CA C 13 52.915 0.035 . 1 . . 387 . . 597 ALA CA . 25111 1 1210 . 1 . 1 96 96 ALA CB C 13 19.079 0.05 . 1 . . 386 . . 597 ALA CB . 25111 1 1211 . 1 . 1 96 96 ALA N N 15 127.780 0.027 . 1 . . 1683 . . 597 ALA N . 25111 1 1212 . 1 . 1 97 97 ASP H H 1 9.290 0.006 . 1 . . 1715 . . 598 ASP H . 25111 1 1213 . 1 . 1 97 97 ASP HA H 1 4.740 0.01 . 1 . . 499 . . 598 ASP HA . 25111 1 1214 . 1 . 1 97 97 ASP HB2 H 1 2.340 0.004 . 2 . . 931 . . 598 ASP HB2 . 25111 1 1215 . 1 . 1 97 97 ASP HB3 H 1 2.558 0.004 . 2 . . 932 . . 598 ASP HB3 . 25111 1 1216 . 1 . 1 97 97 ASP C C 13 176.438 0.2 . 1 . . 685 . . 598 ASP C . 25111 1 1217 . 1 . 1 97 97 ASP CA C 13 55.302 0.034 . 1 . . 284 . . 598 ASP CA . 25111 1 1218 . 1 . 1 97 97 ASP CB C 13 41.158 0.065 . 1 . . 283 . . 598 ASP CB . 25111 1 1219 . 1 . 1 97 97 ASP N N 15 126.394 0.019 . 1 . . 1714 . . 598 ASP N . 25111 1 1220 . 1 . 1 98 98 THR H H 1 7.331 0.005 . 1 . . 1754 . . 599 THR H . 25111 1 1221 . 1 . 1 98 98 THR HA H 1 4.603 0.009 . 1 . . 482 . . 599 THR HA . 25111 1 1222 . 1 . 1 98 98 THR HB H 1 4.677 0.005 . 1 . . 1082 . . 599 THR HB . 25111 1 1223 . 1 . 1 98 98 THR HG1 H 1 8.429 0.05 . 1 . . 1616 . . 599 THR HG1 . 25111 1 1224 . 1 . 1 98 98 THR HG21 H 1 1.116 0.003 . 1 . . 1083 . . 599 THR HG21 . 25111 1 1225 . 1 . 1 98 98 THR HG22 H 1 1.116 0.003 . 1 . . 1083 . . 599 THR HG22 . 25111 1 1226 . 1 . 1 98 98 THR HG23 H 1 1.116 0.003 . 1 . . 1083 . . 599 THR HG23 . 25111 1 1227 . 1 . 1 98 98 THR C C 13 173.877 0.2 . 1 . . 686 . . 599 THR C . 25111 1 1228 . 1 . 1 98 98 THR CA C 13 59.489 0.042 . 1 . . 364 . . 599 THR CA . 25111 1 1229 . 1 . 1 98 98 THR CB C 13 73.658 0.035 . 1 . . 363 . . 599 THR CB . 25111 1 1230 . 1 . 1 98 98 THR CG2 C 13 20.481 0.028 . 1 . . 1084 . . 599 THR CG2 . 25111 1 1231 . 1 . 1 98 98 THR N N 15 108.885 0.016 . 1 . . 1753 . . 599 THR N . 25111 1 1232 . 1 . 1 99 99 TYR H H 1 8.543 0.005 . 1 . . 1834 . . 600 TYR H . 25111 1 1233 . 1 . 1 99 99 TYR HA H 1 4.791 0.005 . 1 . . 741 . . 600 TYR HA . 25111 1 1234 . 1 . 1 99 99 TYR HB2 H 1 2.917 0.007 . 2 . . 933 . . 600 TYR HB2 . 25111 1 1235 . 1 . 1 99 99 TYR HB3 H 1 3.140 0.006 . 2 . . 934 . . 600 TYR HB3 . 25111 1 1236 . 1 . 1 99 99 TYR HD1 H 1 7.125 0.01 . 3 . . 1396 . . 600 TYR HD1 . 25111 1 1237 . 1 . 1 99 99 TYR HD2 H 1 7.125 0.01 . 3 . . 1396 . . 600 TYR HD2 . 25111 1 1238 . 1 . 1 99 99 TYR HE1 H 1 6.742 0.01 . 3 . . 1398 . . 600 TYR HE1 . 25111 1 1239 . 1 . 1 99 99 TYR HE2 H 1 6.742 0.01 . 3 . . 1398 . . 600 TYR HE2 . 25111 1 1240 . 1 . 1 99 99 TYR HH H 1 6.964 0.05 . 1 . . 1633 . . 600 TYR HH . 25111 1 1241 . 1 . 1 99 99 TYR C C 13 177.992 0.2 . 1 . . 687 . . 600 TYR C . 25111 1 1242 . 1 . 1 99 99 TYR CA C 13 60.087 0.028 . 1 . . 366 . . 600 TYR CA . 25111 1 1243 . 1 . 1 99 99 TYR CB C 13 38.456 0.054 . 1 . . 365 . . 600 TYR CB . 25111 1 1244 . 1 . 1 99 99 TYR CD1 C 13 133.421 0.058 . 3 . . 1397 . . 600 TYR CD1 . 25111 1 1245 . 1 . 1 99 99 TYR CD2 C 13 133.421 0.058 . 3 . . 1397 . . 600 TYR CD2 . 25111 1 1246 . 1 . 1 99 99 TYR CE1 C 13 118.000 0.056 . 3 . . 1436 . . 600 TYR CE1 . 25111 1 1247 . 1 . 1 99 99 TYR CE2 C 13 118.000 0.056 . 3 . . 1436 . . 600 TYR CE2 . 25111 1 1248 . 1 . 1 99 99 TYR N N 15 119.678 0.02 . 1 . . 1833 . . 600 TYR N . 25111 1 1249 . 1 . 1 100 100 CYS H H 1 8.856 0.005 . 1 . . 1945 . . 601 CYS H . 25111 1 1250 . 1 . 1 100 100 CYS HA H 1 5.396 0.005 . 1 . . 535 . . 601 CYS HA . 25111 1 1251 . 1 . 1 100 100 CYS HB2 H 1 2.312 0.004 . 2 . . 935 . . 601 CYS HB2 . 25111 1 1252 . 1 . 1 100 100 CYS HB3 H 1 2.652 0.007 . 2 . . 936 . . 601 CYS HB3 . 25111 1 1253 . 1 . 1 100 100 CYS C C 13 172.375 0.2 . 1 . . 688 . . 601 CYS C . 25111 1 1254 . 1 . 1 100 100 CYS CA C 13 58.942 0.066 . 1 . . 324 . . 601 CYS CA . 25111 1 1255 . 1 . 1 100 100 CYS CB C 13 31.601 0.039 . 1 . . 325 . . 601 CYS CB . 25111 1 1256 . 1 . 1 100 100 CYS N N 15 128.324 0.027 . 1 . . 1944 . . 601 CYS N . 25111 1 1257 . 1 . 1 101 101 ARG H H 1 9.039 0.007 . 1 . . 1709 . . 602 ARG H . 25111 1 1258 . 1 . 1 101 101 ARG HA H 1 4.479 0.007 . 1 . . 546 . . 602 ARG HA . 25111 1 1259 . 1 . 1 101 101 ARG HB2 H 1 1.974 0.007 . 2 . . 937 . . 602 ARG HB2 . 25111 1 1260 . 1 . 1 101 101 ARG HB3 H 1 2.074 0.006 . 2 . . 938 . . 602 ARG HB3 . 25111 1 1261 . 1 . 1 101 101 ARG HG2 H 1 1.737 0.007 . 2 . . 939 . . 602 ARG HG2 . 25111 1 1262 . 1 . 1 101 101 ARG HG3 H 1 1.748 0.007 . 2 . . 1537 . . 602 ARG HG3 . 25111 1 1263 . 1 . 1 101 101 ARG HD2 H 1 3.442 0.008 . 2 . . 1257 . . 602 ARG HD2 . 25111 1 1264 . 1 . 1 101 101 ARG HD3 H 1 3.594 0.006 . 2 . . 1258 . . 602 ARG HD3 . 25111 1 1265 . 1 . 1 101 101 ARG HE H 1 7.668 0.006 . 1 . . 1710 . . 602 ARG HE . 25111 1 1266 . 1 . 1 101 101 ARG C C 13 174.169 0.2 . 1 . . 689 . . 602 ARG C . 25111 1 1267 . 1 . 1 101 101 ARG CA C 13 55.584 0.039 . 1 . . 321 . . 602 ARG CA . 25111 1 1268 . 1 . 1 101 101 ARG CB C 13 32.896 0.043 . 1 . . 320 . . 602 ARG CB . 25111 1 1269 . 1 . 1 101 101 ARG CG C 13 27.994 0.02 . 1 . . 1256 . . 602 ARG CG . 25111 1 1270 . 1 . 1 101 101 ARG CD C 13 44.333 0.022 . 1 . . 1259 . . 602 ARG CD . 25111 1 1271 . 1 . 1 101 101 ARG N N 15 121.544 0.024 . 1 . . 1708 . . 602 ARG N . 25111 1 1272 . 1 . 1 101 101 ARG NE N 15 83.488 0.02 . 1 . . 1711 . . 602 ARG NE . 25111 1 1273 . 1 . 1 102 102 LEU H H 1 9.019 0.004 . 1 . . 1927 . . 603 LEU H . 25111 1 1274 . 1 . 1 102 102 LEU HA H 1 5.372 0.007 . 1 . . 491 . . 603 LEU HA . 25111 1 1275 . 1 . 1 102 102 LEU HB2 H 1 1.737 0.008 . 2 . . 940 . . 603 LEU HB2 . 25111 1 1276 . 1 . 1 102 102 LEU HB3 H 1 1.791 0.009 . 2 . . 941 . . 603 LEU HB3 . 25111 1 1277 . 1 . 1 102 102 LEU HG H 1 1.616 0.006 . 1 . . 1563 . . 603 LEU HG . 25111 1 1278 . 1 . 1 102 102 LEU HD11 H 1 0.714 0.004 . 2 . . 1554 . . 603 LEU HD11 . 25111 1 1279 . 1 . 1 102 102 LEU HD12 H 1 0.714 0.004 . 2 . . 1554 . . 603 LEU HD12 . 25111 1 1280 . 1 . 1 102 102 LEU HD13 H 1 0.714 0.004 . 2 . . 1554 . . 603 LEU HD13 . 25111 1 1281 . 1 . 1 102 102 LEU HD21 H 1 0.831 0.003 . 2 . . 1565 . . 603 LEU HD21 . 25111 1 1282 . 1 . 1 102 102 LEU HD22 H 1 0.831 0.003 . 2 . . 1565 . . 603 LEU HD22 . 25111 1 1283 . 1 . 1 102 102 LEU HD23 H 1 0.831 0.003 . 2 . . 1565 . . 603 LEU HD23 . 25111 1 1284 . 1 . 1 102 102 LEU C C 13 174.520 0.2 . 1 . . 690 . . 603 LEU C . 25111 1 1285 . 1 . 1 102 102 LEU CA C 13 52.841 0.033 . 1 . . 323 . . 603 LEU CA . 25111 1 1286 . 1 . 1 102 102 LEU CB C 13 46.229 0.043 . 1 . . 322 . . 603 LEU CB . 25111 1 1287 . 1 . 1 102 102 LEU CG C 13 27.730 0.018 . 1 . . 1564 . . 603 LEU CG . 25111 1 1288 . 1 . 1 102 102 LEU CD1 C 13 28.573 0.011 . 2 . . 1555 . . 603 LEU CD1 . 25111 1 1289 . 1 . 1 102 102 LEU CD2 C 13 27.046 0.017 . 2 . . 1566 . . 603 LEU CD2 . 25111 1 1290 . 1 . 1 102 102 LEU N N 15 123.331 0.02 . 1 . . 1926 . . 603 LEU N . 25111 1 1291 . 1 . 1 103 103 TYR H H 1 9.015 0.005 . 1 . . 1764 . . 604 TYR H . 25111 1 1292 . 1 . 1 103 103 TYR HA H 1 5.766 0.006 . 1 . . 544 . . 604 TYR HA . 25111 1 1293 . 1 . 1 103 103 TYR HB2 H 1 2.677 0.005 . 2 . . 942 . . 604 TYR HB2 . 25111 1 1294 . 1 . 1 103 103 TYR HB3 H 1 2.937 0.007 . 2 . . 943 . . 604 TYR HB3 . 25111 1 1295 . 1 . 1 103 103 TYR HD1 H 1 6.849 0.009 . 3 . . 1399 . . 604 TYR HD1 . 25111 1 1296 . 1 . 1 103 103 TYR HD2 H 1 6.849 0.009 . 3 . . 1399 . . 604 TYR HD2 . 25111 1 1297 . 1 . 1 103 103 TYR HE1 H 1 6.751 0.012 . 3 . . 1401 . . 604 TYR HE1 . 25111 1 1298 . 1 . 1 103 103 TYR HE2 H 1 6.751 0.012 . 3 . . 1401 . . 604 TYR HE2 . 25111 1 1299 . 1 . 1 103 103 TYR HH H 1 8.581 0.05 . 1 . . 1631 . . 604 TYR HH . 25111 1 1300 . 1 . 1 103 103 TYR C C 13 175.792 0.2 . 1 . . 691 . . 604 TYR C . 25111 1 1301 . 1 . 1 103 103 TYR CA C 13 56.990 0.045 . 1 . . 389 . . 604 TYR CA . 25111 1 1302 . 1 . 1 103 103 TYR CB C 13 42.936 0.027 . 1 . . 388 . . 604 TYR CB . 25111 1 1303 . 1 . 1 103 103 TYR CD1 C 13 132.634 0.047 . 3 . . 1400 . . 604 TYR CD1 . 25111 1 1304 . 1 . 1 103 103 TYR CD2 C 13 132.634 0.047 . 3 . . 1400 . . 604 TYR CD2 . 25111 1 1305 . 1 . 1 103 103 TYR CE1 C 13 118.327 0.074 . 3 . . 1435 . . 604 TYR CE1 . 25111 1 1306 . 1 . 1 103 103 TYR CE2 C 13 118.327 0.074 . 3 . . 1435 . . 604 TYR CE2 . 25111 1 1307 . 1 . 1 103 103 TYR N N 15 115.484 0.019 . 1 . . 1763 . . 604 TYR N . 25111 1 1308 . 1 . 1 104 104 SER H H 1 10.395 0.007 . 1 . . 1770 . . 605 SER H . 25111 1 1309 . 1 . 1 104 104 SER HA H 1 5.431 0.005 . 1 . . 542 . . 605 SER HA . 25111 1 1310 . 1 . 1 104 104 SER HB2 H 1 3.228 0.005 . 2 . . 1086 . . 605 SER HB2 . 25111 1 1311 . 1 . 1 104 104 SER HB3 H 1 3.375 0.008 . 2 . . 1087 . . 605 SER HB3 . 25111 1 1312 . 1 . 1 104 104 SER HG H 1 6.497 0.007 . 1 . . 1602 . . 605 SER HG . 25111 1 1313 . 1 . 1 104 104 SER C C 13 172.762 0.2 . 1 . . 692 . . 605 SER C . 25111 1 1314 . 1 . 1 104 104 SER CA C 13 54.880 0.075 . 1 . . 391 . . 605 SER CA . 25111 1 1315 . 1 . 1 104 104 SER CB C 13 67.927 0.03 . 1 . . 390 . . 605 SER CB . 25111 1 1316 . 1 . 1 104 104 SER N N 15 118.561 0.019 . 1 . . 1769 . . 605 SER N . 25111 1 1317 . 1 . 1 105 105 LEU H H 1 8.087 0.005 . 1 . . 1939 . . 606 LEU H . 25111 1 1318 . 1 . 1 105 105 LEU HA H 1 4.964 0.006 . 1 . . 1088 . . 606 LEU HA . 25111 1 1319 . 1 . 1 105 105 LEU HB2 H 1 1.253 0.005 . 2 . . 1089 . . 606 LEU HB2 . 25111 1 1320 . 1 . 1 105 105 LEU HB3 H 1 1.609 0.004 . 2 . . 1090 . . 606 LEU HB3 . 25111 1 1321 . 1 . 1 105 105 LEU HG H 1 1.511 0.003 . 1 . . 1091 . . 606 LEU HG . 25111 1 1322 . 1 . 1 105 105 LEU HD11 H 1 0.970 0.007 . 2 . . 1093 . . 606 LEU HD11 . 25111 1 1323 . 1 . 1 105 105 LEU HD12 H 1 0.970 0.007 . 2 . . 1093 . . 606 LEU HD12 . 25111 1 1324 . 1 . 1 105 105 LEU HD13 H 1 0.970 0.007 . 2 . . 1093 . . 606 LEU HD13 . 25111 1 1325 . 1 . 1 105 105 LEU HD21 H 1 0.933 0.006 . 2 . . 1094 . . 606 LEU HD21 . 25111 1 1326 . 1 . 1 105 105 LEU HD22 H 1 0.933 0.006 . 2 . . 1094 . . 606 LEU HD22 . 25111 1 1327 . 1 . 1 105 105 LEU HD23 H 1 0.933 0.006 . 2 . . 1094 . . 606 LEU HD23 . 25111 1 1328 . 1 . 1 105 105 LEU C C 13 174.849 0.2 . 1 . . 693 . . 606 LEU C . 25111 1 1329 . 1 . 1 105 105 LEU CA C 13 52.718 0.035 . 1 . . 461 . . 606 LEU CA . 25111 1 1330 . 1 . 1 105 105 LEU CB C 13 46.436 0.044 . 1 . . 462 . . 606 LEU CB . 25111 1 1331 . 1 . 1 105 105 LEU CG C 13 27.553 0.023 . 1 . . 1092 . . 606 LEU CG . 25111 1 1332 . 1 . 1 105 105 LEU CD1 C 13 26.466 0.019 . 2 . . 1096 . . 606 LEU CD1 . 25111 1 1333 . 1 . 1 105 105 LEU CD2 C 13 22.753 0.026 . 2 . . 1095 . . 606 LEU CD2 . 25111 1 1334 . 1 . 1 105 105 LEU N N 15 120.372 0.029 . 1 . . 1938 . . 606 LEU N . 25111 1 1335 . 1 . 1 106 106 SER H H 1 8.996 0.005 . 1 . . 1929 . . 607 SER H . 25111 1 1336 . 1 . 1 106 106 SER HA H 1 5.094 0.006 . 1 . . 484 . . 607 SER HA . 25111 1 1337 . 1 . 1 106 106 SER HB2 H 1 4.425 0.006 . 2 . . 944 . . 607 SER HB2 . 25111 1 1338 . 1 . 1 106 106 SER HB3 H 1 3.995 0.007 . 2 . . 945 . . 607 SER HB3 . 25111 1 1339 . 1 . 1 106 106 SER C C 13 175.125 0.2 . 1 . . 694 . . 607 SER C . 25111 1 1340 . 1 . 1 106 106 SER CA C 13 55.984 0.055 . 1 . . 464 . . 607 SER CA . 25111 1 1341 . 1 . 1 106 106 SER CB C 13 65.495 0.045 . 1 . . 463 . . 607 SER CB . 25111 1 1342 . 1 . 1 106 106 SER N N 15 122.588 0.028 . 1 . . 1928 . . 607 SER N . 25111 1 1343 . 1 . 1 107 107 VAL H H 1 8.593 0.005 . 1 . . 1849 . . 608 VAL H . 25111 1 1344 . 1 . 1 107 107 VAL HA H 1 3.668 0.005 . 1 . . 742 . . 608 VAL HA . 25111 1 1345 . 1 . 1 107 107 VAL HB H 1 2.018 0.003 . 1 . . 946 . . 608 VAL HB . 25111 1 1346 . 1 . 1 107 107 VAL HG11 H 1 1.064 0.006 . 2 . . 947 . . 608 VAL HG11 . 25111 1 1347 . 1 . 1 107 107 VAL HG12 H 1 1.064 0.006 . 2 . . 947 . . 608 VAL HG12 . 25111 1 1348 . 1 . 1 107 107 VAL HG13 H 1 1.064 0.006 . 2 . . 947 . . 608 VAL HG13 . 25111 1 1349 . 1 . 1 107 107 VAL HG21 H 1 0.990 0.006 . 2 . . 948 . . 608 VAL HG21 . 25111 1 1350 . 1 . 1 107 107 VAL HG22 H 1 0.990 0.006 . 2 . . 948 . . 608 VAL HG22 . 25111 1 1351 . 1 . 1 107 107 VAL HG23 H 1 0.990 0.006 . 2 . . 948 . . 608 VAL HG23 . 25111 1 1352 . 1 . 1 107 107 VAL C C 13 177.623 0.2 . 1 . . 695 . . 608 VAL C . 25111 1 1353 . 1 . 1 107 107 VAL CA C 13 66.145 0.024 . 1 . . 297 . . 608 VAL CA . 25111 1 1354 . 1 . 1 107 107 VAL CB C 13 32.220 0.059 . 1 . . 298 . . 608 VAL CB . 25111 1 1355 . 1 . 1 107 107 VAL CG1 C 13 20.912 0.025 . 2 . . 1098 . . 608 VAL CG1 . 25111 1 1356 . 1 . 1 107 107 VAL CG2 C 13 23.321 0.016 . 2 . . 1097 . . 608 VAL CG2 . 25111 1 1357 . 1 . 1 107 107 VAL N N 15 122.579 0.02 . 1 . . 1848 . . 608 VAL N . 25111 1 1358 . 1 . 1 108 108 ASP H H 1 8.338 0.004 . 1 . . 1878 . . 609 ASP H . 25111 1 1359 . 1 . 1 108 108 ASP HA H 1 4.519 0.008 . 1 . . 481 . . 609 ASP HA . 25111 1 1360 . 1 . 1 108 108 ASP HB2 H 1 2.484 0.005 . 2 . . 949 . . 609 ASP HB2 . 25111 1 1361 . 1 . 1 108 108 ASP HB3 H 1 2.754 0.005 . 2 . . 950 . . 609 ASP HB3 . 25111 1 1362 . 1 . 1 108 108 ASP C C 13 179.068 0.2 . 1 . . 696 . . 609 ASP C . 25111 1 1363 . 1 . 1 108 108 ASP CA C 13 57.603 0.028 . 1 . . 300 . . 609 ASP CA . 25111 1 1364 . 1 . 1 108 108 ASP CB C 13 40.152 0.041 . 1 . . 299 . . 609 ASP CB . 25111 1 1365 . 1 . 1 108 108 ASP N N 15 118.496 0.01 . 1 . . 1877 . . 609 ASP N . 25111 1 1366 . 1 . 1 109 109 ASN H H 1 7.965 0.004 . 1 . . 1922 . . 610 ASN H . 25111 1 1367 . 1 . 1 109 109 ASN HA H 1 4.705 0.005 . 1 . . 489 . . 610 ASN HA . 25111 1 1368 . 1 . 1 109 109 ASN HB2 H 1 2.428 0.006 . 2 . . 951 . . 610 ASN HB2 . 25111 1 1369 . 1 . 1 109 109 ASN HB3 H 1 2.989 0.007 . 2 . . 952 . . 610 ASN HB3 . 25111 1 1370 . 1 . 1 109 109 ASN HD21 H 1 8.379 0.003 . 1 . . 1923 . . 610 ASN HD21 . 25111 1 1371 . 1 . 1 109 109 ASN HD22 H 1 7.245 0.005 . 1 . . 1924 . . 610 ASN HD22 . 25111 1 1372 . 1 . 1 109 109 ASN C C 13 176.533 0.2 . 1 . . 697 . . 610 ASN C . 25111 1 1373 . 1 . 1 109 109 ASN CA C 13 55.937 0.032 . 1 . . 343 . . 610 ASN CA . 25111 1 1374 . 1 . 1 109 109 ASN CB C 13 38.622 0.042 . 1 . . 342 . . 610 ASN CB . 25111 1 1375 . 1 . 1 109 109 ASN N N 15 118.046 0.022 . 1 . . 1921 . . 610 ASN N . 25111 1 1376 . 1 . 1 109 109 ASN ND2 N 15 112.795 0.022 . 1 . . 1925 . . 610 ASN ND2 . 25111 1 1377 . 1 . 1 110 110 PHE H H 1 8.783 0.006 . 1 . . 1851 . . 611 PHE H . 25111 1 1378 . 1 . 1 110 110 PHE HA H 1 4.171 0.007 . 1 . . 1099 . . 611 PHE HA . 25111 1 1379 . 1 . 1 110 110 PHE HB2 H 1 2.985 0.005 . 2 . . 1100 . . 611 PHE HB2 . 25111 1 1380 . 1 . 1 110 110 PHE HB3 H 1 3.290 0.006 . 2 . . 1101 . . 611 PHE HB3 . 25111 1 1381 . 1 . 1 110 110 PHE HD1 H 1 7.222 0.01 . 3 . . 1410 . . 611 PHE HD1 . 25111 1 1382 . 1 . 1 110 110 PHE HD2 H 1 7.222 0.01 . 3 . . 1410 . . 611 PHE HD2 . 25111 1 1383 . 1 . 1 110 110 PHE HE1 H 1 7.091 0.009 . 3 . . 1412 . . 611 PHE HE1 . 25111 1 1384 . 1 . 1 110 110 PHE HE2 H 1 7.091 0.009 . 3 . . 1412 . . 611 PHE HE2 . 25111 1 1385 . 1 . 1 110 110 PHE HZ H 1 6.443 0.012 . 1 . . 1416 . . 611 PHE HZ . 25111 1 1386 . 1 . 1 110 110 PHE C C 13 176.630 0.2 . 1 . . 698 . . 611 PHE C . 25111 1 1387 . 1 . 1 110 110 PHE CA C 13 61.388 0.036 . 1 . . 341 . . 611 PHE CA . 25111 1 1388 . 1 . 1 110 110 PHE CB C 13 39.888 0.045 . 1 . . 340 . . 611 PHE CB . 25111 1 1389 . 1 . 1 110 110 PHE CD1 C 13 132.191 0.053 . 3 . . 1411 . . 611 PHE CD1 . 25111 1 1390 . 1 . 1 110 110 PHE CD2 C 13 132.191 0.053 . 3 . . 1411 . . 611 PHE CD2 . 25111 1 1391 . 1 . 1 110 110 PHE CE1 C 13 131.375 0.064 . 3 . . 1413 . . 611 PHE CE1 . 25111 1 1392 . 1 . 1 110 110 PHE CE2 C 13 131.375 0.064 . 3 . . 1413 . . 611 PHE CE2 . 25111 1 1393 . 1 . 1 110 110 PHE CZ C 13 129.311 0.035 . 1 . . 1417 . . 611 PHE CZ . 25111 1 1394 . 1 . 1 110 110 PHE N N 15 121.631 0.028 . 1 . . 1850 . . 611 PHE N . 25111 1 1395 . 1 . 1 111 111 ASN H H 1 8.696 0.005 . 1 . . 1720 . . 612 ASN H . 25111 1 1396 . 1 . 1 111 111 ASN HA H 1 4.281 0.004 . 1 . . 495 . . 612 ASN HA . 25111 1 1397 . 1 . 1 111 111 ASN HB2 H 1 2.789 0.004 . 2 . . 953 . . 612 ASN HB2 . 25111 1 1398 . 1 . 1 111 111 ASN HB3 H 1 2.969 0.006 . 2 . . 954 . . 612 ASN HB3 . 25111 1 1399 . 1 . 1 111 111 ASN HD21 H 1 7.675 0.003 . 1 . . 1718 . . 612 ASN HD21 . 25111 1 1400 . 1 . 1 111 111 ASN HD22 H 1 6.981 0.008 . 1 . . 1719 . . 612 ASN HD22 . 25111 1 1401 . 1 . 1 111 111 ASN C C 13 177.914 0.2 . 1 . . 699 . . 612 ASN C . 25111 1 1402 . 1 . 1 111 111 ASN CA C 13 56.275 0.024 . 1 . . 339 . . 612 ASN CA . 25111 1 1403 . 1 . 1 111 111 ASN CB C 13 38.298 0.038 . 1 . . 338 . . 612 ASN CB . 25111 1 1404 . 1 . 1 111 111 ASN N N 15 116.608 0.021 . 1 . . 1716 . . 612 ASN N . 25111 1 1405 . 1 . 1 111 111 ASN ND2 N 15 111.676 0.021 . 1 . . 1717 . . 612 ASN ND2 . 25111 1 1406 . 1 . 1 112 112 GLU H H 1 7.827 0.005 . 1 . . 1882 . . 613 GLU H . 25111 1 1407 . 1 . 1 112 112 GLU HA H 1 4.039 0.005 . 1 . . 545 . . 613 GLU HA . 25111 1 1408 . 1 . 1 112 112 GLU HB2 H 1 2.137 0.005 . 2 . . 955 . . 613 GLU HB2 . 25111 1 1409 . 1 . 1 112 112 GLU HB3 H 1 2.373 0.004 . 2 . . 956 . . 613 GLU HB3 . 25111 1 1410 . 1 . 1 112 112 GLU HG2 H 1 2.507 0.004 . 2 . . 957 . . 613 GLU HG2 . 25111 1 1411 . 1 . 1 112 112 GLU HG3 H 1 2.220 0.005 . 2 . . 958 . . 613 GLU HG3 . 25111 1 1412 . 1 . 1 112 112 GLU C C 13 179.414 0.2 . 1 . . 700 . . 613 GLU C . 25111 1 1413 . 1 . 1 112 112 GLU CA C 13 59.628 0.025 . 1 . . 337 . . 613 GLU CA . 25111 1 1414 . 1 . 1 112 112 GLU CB C 13 29.699 0.053 . 1 . . 336 . . 613 GLU CB . 25111 1 1415 . 1 . 1 112 112 GLU CG C 13 36.168 0.023 . 1 . . 959 . . 613 GLU CG . 25111 1 1416 . 1 . 1 112 112 GLU N N 15 120.337 0.024 . 1 . . 1881 . . 613 GLU N . 25111 1 1417 . 1 . 1 113 113 VAL H H 1 7.605 0.005 . 1 . . 1912 . . 614 VAL H . 25111 1 1418 . 1 . 1 113 113 VAL HA H 1 3.864 0.004 . 1 . . 555 . . 614 VAL HA . 25111 1 1419 . 1 . 1 113 113 VAL HB H 1 1.908 0.006 . 1 . . 960 . . 614 VAL HB . 25111 1 1420 . 1 . 1 113 113 VAL HG11 H 1 0.802 0.01 . 2 . . 961 . . 614 VAL HG11 . 25111 1 1421 . 1 . 1 113 113 VAL HG12 H 1 0.802 0.01 . 2 . . 961 . . 614 VAL HG12 . 25111 1 1422 . 1 . 1 113 113 VAL HG13 H 1 0.802 0.01 . 2 . . 961 . . 614 VAL HG13 . 25111 1 1423 . 1 . 1 113 113 VAL HG21 H 1 0.927 0.003 . 2 . . 962 . . 614 VAL HG21 . 25111 1 1424 . 1 . 1 113 113 VAL HG22 H 1 0.927 0.003 . 2 . . 962 . . 614 VAL HG22 . 25111 1 1425 . 1 . 1 113 113 VAL HG23 H 1 0.927 0.003 . 2 . . 962 . . 614 VAL HG23 . 25111 1 1426 . 1 . 1 113 113 VAL C C 13 178.862 0.2 . 1 . . 701 . . 614 VAL C . 25111 1 1427 . 1 . 1 113 113 VAL CA C 13 65.999 0.027 . 1 . . 332 . . 614 VAL CA . 25111 1 1428 . 1 . 1 113 113 VAL CB C 13 31.657 0.057 . 1 . . 333 . . 614 VAL CB . 25111 1 1429 . 1 . 1 113 113 VAL CG1 C 13 23.395 0.027 . 2 . . 963 . . 614 VAL CG1 . 25111 1 1430 . 1 . 1 113 113 VAL CG2 C 13 23.452 0.029 . 2 . . 1102 . . 614 VAL CG2 . 25111 1 1431 . 1 . 1 113 113 VAL N N 15 119.176 0.018 . 1 . . 1911 . . 614 VAL N . 25111 1 1432 . 1 . 1 114 114 LEU H H 1 8.197 0.006 . 1 . . 1888 . . 615 LEU H . 25111 1 1433 . 1 . 1 114 114 LEU HA H 1 3.993 0.008 . 1 . . 743 . . 615 LEU HA . 25111 1 1434 . 1 . 1 114 114 LEU HB2 H 1 1.378 0.007 . 2 . . 964 . . 615 LEU HB2 . 25111 1 1435 . 1 . 1 114 114 LEU HB3 H 1 1.516 0.003 . 2 . . 965 . . 615 LEU HB3 . 25111 1 1436 . 1 . 1 114 114 LEU HG H 1 1.291 0.006 . 1 . . 966 . . 615 LEU HG . 25111 1 1437 . 1 . 1 114 114 LEU HD11 H 1 0.516 0.007 . 2 . . 968 . . 615 LEU HD11 . 25111 1 1438 . 1 . 1 114 114 LEU HD12 H 1 0.516 0.007 . 2 . . 968 . . 615 LEU HD12 . 25111 1 1439 . 1 . 1 114 114 LEU HD13 H 1 0.516 0.007 . 2 . . 968 . . 615 LEU HD13 . 25111 1 1440 . 1 . 1 114 114 LEU HD21 H 1 0.615 0.007 . 2 . . 969 . . 615 LEU HD21 . 25111 1 1441 . 1 . 1 114 114 LEU HD22 H 1 0.615 0.007 . 2 . . 969 . . 615 LEU HD22 . 25111 1 1442 . 1 . 1 114 114 LEU HD23 H 1 0.615 0.007 . 2 . . 969 . . 615 LEU HD23 . 25111 1 1443 . 1 . 1 114 114 LEU C C 13 179.032 0.2 . 1 . . 702 . . 615 LEU C . 25111 1 1444 . 1 . 1 114 114 LEU CA C 13 58.073 0.041 . 1 . . 335 . . 615 LEU CA . 25111 1 1445 . 1 . 1 114 114 LEU CB C 13 42.081 0.033 . 1 . . 334 . . 615 LEU CB . 25111 1 1446 . 1 . 1 114 114 LEU CG C 13 26.602 0.041 . 1 . . 967 . . 615 LEU CG . 25111 1 1447 . 1 . 1 114 114 LEU CD1 C 13 25.336 0.017 . 2 . . 970 . . 615 LEU CD1 . 25111 1 1448 . 1 . 1 114 114 LEU CD2 C 13 24.711 0.024 . 2 . . 971 . . 615 LEU CD2 . 25111 1 1449 . 1 . 1 114 114 LEU N N 15 119.930 0.017 . 1 . . 1887 . . 615 LEU N . 25111 1 1450 . 1 . 1 115 115 GLU H H 1 7.623 0.005 . 1 . . 1914 . . 616 GLU H . 25111 1 1451 . 1 . 1 115 115 GLU HA H 1 3.962 0.006 . 1 . . 558 . . 616 GLU HA . 25111 1 1452 . 1 . 1 115 115 GLU HB2 H 1 2.071 0.004 . 2 . . 972 . . 616 GLU HB2 . 25111 1 1453 . 1 . 1 115 115 GLU HB3 H 1 2.134 0.008 . 2 . . 973 . . 616 GLU HB3 . 25111 1 1454 . 1 . 1 115 115 GLU HG2 H 1 2.360 0.005 . 2 . . 1103 . . 616 GLU HG2 . 25111 1 1455 . 1 . 1 115 115 GLU HG3 H 1 2.435 0.003 . 2 . . 1104 . . 616 GLU HG3 . 25111 1 1456 . 1 . 1 115 115 GLU C C 13 178.100 0.2 . 1 . . 703 . . 616 GLU C . 25111 1 1457 . 1 . 1 115 115 GLU CA C 13 58.820 0.024 . 1 . . 442 . . 616 GLU CA . 25111 1 1458 . 1 . 1 115 115 GLU CB C 13 29.607 0.008 . 1 . . 441 . . 616 GLU CB . 25111 1 1459 . 1 . 1 115 115 GLU CG C 13 35.980 0.015 . 1 . . 1105 . . 616 GLU CG . 25111 1 1460 . 1 . 1 115 115 GLU N N 15 116.610 0.027 . 1 . . 1913 . . 616 GLU N . 25111 1 1461 . 1 . 1 116 116 GLU H H 1 7.447 0.005 . 1 . . 1740 . . 617 GLU H . 25111 1 1462 . 1 . 1 116 116 GLU HA H 1 4.095 0.004 . 1 . . 480 . . 617 GLU HA . 25111 1 1463 . 1 . 1 116 116 GLU HB2 H 1 1.949 0.007 . 2 . . 974 . . 617 GLU HB2 . 25111 1 1464 . 1 . 1 116 116 GLU HB3 H 1 2.180 0.007 . 2 . . 975 . . 617 GLU HB3 . 25111 1 1465 . 1 . 1 116 116 GLU HG2 H 1 2.129 0.008 . 2 . . 976 . . 617 GLU HG2 . 25111 1 1466 . 1 . 1 116 116 GLU HG3 H 1 2.378 0.003 . 2 . . 977 . . 617 GLU HG3 . 25111 1 1467 . 1 . 1 116 116 GLU C C 13 175.348 0.2 . 1 . . 704 . . 617 GLU C . 25111 1 1468 . 1 . 1 116 116 GLU CA C 13 56.714 0.048 . 1 . . 426 . . 617 GLU CA . 25111 1 1469 . 1 . 1 116 116 GLU CB C 13 30.286 0.046 . 1 . . 425 . . 617 GLU CB . 25111 1 1470 . 1 . 1 116 116 GLU CG C 13 35.970 0.015 . 1 . . 1106 . . 617 GLU CG . 25111 1 1471 . 1 . 1 116 116 GLU N N 15 115.663 0.019 . 1 . . 1739 . . 617 GLU N . 25111 1 1472 . 1 . 1 117 117 TYR H H 1 7.571 0.006 . 1 . . 1756 . . 618 TYR H . 25111 1 1473 . 1 . 1 117 117 TYR HA H 1 4.846 0.005 . 1 . . 520 . . 618 TYR HA . 25111 1 1474 . 1 . 1 117 117 TYR HB2 H 1 2.713 0.009 . 2 . . 978 . . 618 TYR HB2 . 25111 1 1475 . 1 . 1 117 117 TYR HB3 H 1 2.985 0.007 . 2 . . 1443 . . 618 TYR HB3 . 25111 1 1476 . 1 . 1 117 117 TYR HD1 H 1 7.403 0.012 . 3 . . 1431 . . 618 TYR HD1 . 25111 1 1477 . 1 . 1 117 117 TYR HD2 H 1 7.403 0.012 . 3 . . 1431 . . 618 TYR HD2 . 25111 1 1478 . 1 . 1 117 117 TYR HE1 H 1 6.730 0.014 . 3 . . 1444 . . 618 TYR HE1 . 25111 1 1479 . 1 . 1 117 117 TYR HE2 H 1 6.730 0.014 . 3 . . 1444 . . 618 TYR HE2 . 25111 1 1480 . 1 . 1 117 117 TYR CA C 13 56.334 0.043 . 1 . . 428 . . 618 TYR CA . 25111 1 1481 . 1 . 1 117 117 TYR CB C 13 39.650 0.046 . 1 . . 427 . . 618 TYR CB . 25111 1 1482 . 1 . 1 117 117 TYR CD1 C 13 134.043 0.072 . 3 . . 1432 . . 618 TYR CD1 . 25111 1 1483 . 1 . 1 117 117 TYR CD2 C 13 134.043 0.072 . 3 . . 1432 . . 618 TYR CD2 . 25111 1 1484 . 1 . 1 117 117 TYR CE1 C 13 118.279 0.04 . 3 . . 1445 . . 618 TYR CE1 . 25111 1 1485 . 1 . 1 117 117 TYR CE2 C 13 118.279 0.04 . 3 . . 1445 . . 618 TYR CE2 . 25111 1 1486 . 1 . 1 117 117 TYR N N 15 116.966 0.024 . 1 . . 1755 . . 618 TYR N . 25111 1 1487 . 1 . 1 118 118 PRO HA H 1 4.393 0.003 . 1 . . 1146 . . 619 PRO HA . 25111 1 1488 . 1 . 1 118 118 PRO HB2 H 1 1.974 0.011 . 2 . . 1147 . . 619 PRO HB2 . 25111 1 1489 . 1 . 1 118 118 PRO HB3 H 1 2.364 0.002 . 2 . . 1148 . . 619 PRO HB3 . 25111 1 1490 . 1 . 1 118 118 PRO HG2 H 1 2.001 0.003 . 2 . . 1215 . . 619 PRO HG2 . 25111 1 1491 . 1 . 1 118 118 PRO HG3 H 1 1.979 0.004 . 2 . . 1546 . . 619 PRO HG3 . 25111 1 1492 . 1 . 1 118 118 PRO HD2 H 1 3.302 0.004 . 2 . . 1217 . . 619 PRO HD2 . 25111 1 1493 . 1 . 1 118 118 PRO HD3 H 1 3.614 0.005 . 2 . . 1218 . . 619 PRO HD3 . 25111 1 1494 . 1 . 1 118 118 PRO C C 13 179.785 0.2 . 1 . . 705 . . 619 PRO C . 25111 1 1495 . 1 . 1 118 118 PRO CA C 13 65.195 0.035 . 1 . . 594 . . 619 PRO CA . 25111 1 1496 . 1 . 1 118 118 PRO CB C 13 31.998 0.049 . 1 . . 593 . . 619 PRO CB . 25111 1 1497 . 1 . 1 118 118 PRO CG C 13 27.581 0.008 . 1 . . 1216 . . 619 PRO CG . 25111 1 1498 . 1 . 1 118 118 PRO CD C 13 50.490 0.015 . 1 . . 1219 . . 619 PRO CD . 25111 1 1499 . 1 . 1 119 119 MET H H 1 9.011 0.005 . 1 . . 1858 . . 620 MET H . 25111 1 1500 . 1 . 1 119 119 MET HA H 1 4.388 0.003 . 1 . . 508 . . 620 MET HA . 25111 1 1501 . 1 . 1 119 119 MET HB2 H 1 2.082 0.003 . 2 . . 979 . . 620 MET HB2 . 25111 1 1502 . 1 . 1 119 119 MET HB3 H 1 2.185 0.004 . 2 . . 980 . . 620 MET HB3 . 25111 1 1503 . 1 . 1 119 119 MET HG2 H 1 2.548 0.005 . 2 . . 981 . . 620 MET HG2 . 25111 1 1504 . 1 . 1 119 119 MET HG3 H 1 2.765 0.003 . 2 . . 982 . . 620 MET HG3 . 25111 1 1505 . 1 . 1 119 119 MET HE1 H 1 2.134 0.009 . 1 . . 1573 . . 620 MET HE1 . 25111 1 1506 . 1 . 1 119 119 MET HE2 H 1 2.134 0.009 . 1 . . 1573 . . 620 MET HE2 . 25111 1 1507 . 1 . 1 119 119 MET HE3 H 1 2.134 0.009 . 1 . . 1573 . . 620 MET HE3 . 25111 1 1508 . 1 . 1 119 119 MET C C 13 179.731 0.2 . 1 . . 706 . . 620 MET C . 25111 1 1509 . 1 . 1 119 119 MET CA C 13 57.961 0.03 . 1 . . 405 . . 620 MET CA . 25111 1 1510 . 1 . 1 119 119 MET CB C 13 30.916 0.035 . 1 . . 592 . . 620 MET CB . 25111 1 1511 . 1 . 1 119 119 MET CG C 13 32.772 0.015 . 1 . . 983 . . 620 MET CG . 25111 1 1512 . 1 . 1 119 119 MET CE C 13 17.212 0.027 . 1 . . 1574 . . 620 MET CE . 25111 1 1513 . 1 . 1 119 119 MET N N 15 117.033 0.017 . 1 . . 1857 . . 620 MET N . 25111 1 1514 . 1 . 1 120 120 MET H H 1 7.857 0.005 . 1 . . 1728 . . 621 MET H . 25111 1 1515 . 1 . 1 120 120 MET HA H 1 4.375 0.009 . 1 . . 522 . . 621 MET HA . 25111 1 1516 . 1 . 1 120 120 MET HB2 H 1 1.962 0.008 . 2 . . 1108 . . 621 MET HB2 . 25111 1 1517 . 1 . 1 120 120 MET HB3 H 1 1.184 0.006 . 2 . . 1109 . . 621 MET HB3 . 25111 1 1518 . 1 . 1 120 120 MET HG2 H 1 1.621 0.009 . 2 . . 1110 . . 621 MET HG2 . 25111 1 1519 . 1 . 1 120 120 MET HG3 H 1 2.172 0.009 . 2 . . 1111 . . 621 MET HG3 . 25111 1 1520 . 1 . 1 120 120 MET HE1 H 1 1.626 0.003 . 1 . . 1571 . . 621 MET HE1 . 25111 1 1521 . 1 . 1 120 120 MET HE2 H 1 1.626 0.003 . 1 . . 1571 . . 621 MET HE2 . 25111 1 1522 . 1 . 1 120 120 MET HE3 H 1 1.626 0.003 . 1 . . 1571 . . 621 MET HE3 . 25111 1 1523 . 1 . 1 120 120 MET C C 13 177.376 0.2 . 1 . . 707 . . 621 MET C . 25111 1 1524 . 1 . 1 120 120 MET CA C 13 54.946 0.028 . 1 . . 403 . . 621 MET CA . 25111 1 1525 . 1 . 1 120 120 MET CB C 13 30.675 0.031 . 1 . . 456 . . 621 MET CB . 25111 1 1526 . 1 . 1 120 120 MET CG C 13 30.713 0.04 . 1 . . 1112 . . 621 MET CG . 25111 1 1527 . 1 . 1 120 120 MET CE C 13 16.245 0.009 . 1 . . 1572 . . 621 MET CE . 25111 1 1528 . 1 . 1 120 120 MET N N 15 118.563 0.024 . 1 . . 1727 . . 621 MET N . 25111 1 1529 . 1 . 1 121 121 ARG H H 1 7.721 0.005 . 1 . . 1809 . . 622 ARG H . 25111 1 1530 . 1 . 1 121 121 ARG HA H 1 3.837 0.005 . 1 . . 744 . . 622 ARG HA . 25111 1 1531 . 1 . 1 121 121 ARG HB2 H 1 1.840 0.007 . 2 . . 984 . . 622 ARG HB2 . 25111 1 1532 . 1 . 1 121 121 ARG HB3 H 1 1.974 0.008 . 2 . . 985 . . 622 ARG HB3 . 25111 1 1533 . 1 . 1 121 121 ARG HG2 H 1 1.614 0.009 . 2 . . 986 . . 622 ARG HG2 . 25111 1 1534 . 1 . 1 121 121 ARG HG3 H 1 1.671 0.008 . 2 . . 987 . . 622 ARG HG3 . 25111 1 1535 . 1 . 1 121 121 ARG HD2 H 1 3.171 0.004 . 2 . . 1114 . . 622 ARG HD2 . 25111 1 1536 . 1 . 1 121 121 ARG HD3 H 1 3.222 0.006 . 2 . . 1115 . . 622 ARG HD3 . 25111 1 1537 . 1 . 1 121 121 ARG HE H 1 7.476 0.015 . 1 . . 1810 . . 622 ARG HE . 25111 1 1538 . 1 . 1 121 121 ARG C C 13 178.257 0.2 . 1 . . 708 . . 622 ARG C . 25111 1 1539 . 1 . 1 121 121 ARG CA C 13 60.547 0.032 . 1 . . 404 . . 622 ARG CA . 25111 1 1540 . 1 . 1 121 121 ARG CB C 13 29.691 0.043 . 1 . . 595 . . 622 ARG CB . 25111 1 1541 . 1 . 1 121 121 ARG CG C 13 27.866 0.009 . 1 . . 1113 . . 622 ARG CG . 25111 1 1542 . 1 . 1 121 121 ARG CD C 13 43.357 0.048 . 1 . . 1116 . . 622 ARG CD . 25111 1 1543 . 1 . 1 121 121 ARG N N 15 120.141 0.022 . 1 . . 1808 . . 622 ARG N . 25111 1 1544 . 1 . 1 121 121 ARG NE N 15 83.872 0.028 . 1 . . 1811 . . 622 ARG NE . 25111 1 1545 . 1 . 1 122 122 ARG H H 1 7.750 0.004 . 1 . . 1958 . . 623 ARG H . 25111 1 1546 . 1 . 1 122 122 ARG HA H 1 4.135 0.005 . 1 . . 523 . . 623 ARG HA . 25111 1 1547 . 1 . 1 122 122 ARG HB2 H 1 1.875 0.004 . 2 . . 988 . . 623 ARG HB2 . 25111 1 1548 . 1 . 1 122 122 ARG HB3 H 1 1.880 0.011 . 2 . . 1545 . . 623 ARG HB3 . 25111 1 1549 . 1 . 1 122 122 ARG HG2 H 1 1.685 0.006 . 2 . . 1117 . . 623 ARG HG2 . 25111 1 1550 . 1 . 1 122 122 ARG HG3 H 1 1.719 0.007 . 2 . . 1118 . . 623 ARG HG3 . 25111 1 1551 . 1 . 1 122 122 ARG HD2 H 1 3.215 0.008 . 2 . . 1499 . . 623 ARG HD2 . 25111 1 1552 . 1 . 1 122 122 ARG HD3 H 1 3.219 0.013 . 2 . . 1544 . . 623 ARG HD3 . 25111 1 1553 . 1 . 1 122 122 ARG HE H 1 7.332 0.008 . 1 . . 1957 . . 623 ARG HE . 25111 1 1554 . 1 . 1 122 122 ARG C C 13 178.477 0.2 . 1 . . 709 . . 623 ARG C . 25111 1 1555 . 1 . 1 122 122 ARG CA C 13 58.642 0.051 . 1 . . 380 . . 623 ARG CA . 25111 1 1556 . 1 . 1 122 122 ARG CB C 13 29.912 0.058 . 1 . . 381 . . 623 ARG CB . 25111 1 1557 . 1 . 1 122 122 ARG CG C 13 27.049 0.011 . 1 . . 1367 . . 623 ARG CG . 25111 1 1558 . 1 . 1 122 122 ARG CD C 13 43.388 0.011 . 1 . . 1500 . . 623 ARG CD . 25111 1 1559 . 1 . 1 122 122 ARG N N 15 116.531 0.024 . 1 . . 1956 . . 623 ARG N . 25111 1 1560 . 1 . 1 122 122 ARG NE N 15 85.069 0.035 . 1 . . 1959 . . 623 ARG NE . 25111 1 1561 . 1 . 1 123 123 ALA H H 1 7.432 0.005 . 1 . . 1703 . . 624 ALA H . 25111 1 1562 . 1 . 1 123 123 ALA HA H 1 4.098 0.008 . 1 . . 539 . . 624 ALA HA . 25111 1 1563 . 1 . 1 123 123 ALA HB1 H 1 1.315 0.005 . 1 . . 989 . . 624 ALA HB1 . 25111 1 1564 . 1 . 1 123 123 ALA HB2 H 1 1.315 0.005 . 1 . . 989 . . 624 ALA HB2 . 25111 1 1565 . 1 . 1 123 123 ALA HB3 H 1 1.315 0.005 . 1 . . 989 . . 624 ALA HB3 . 25111 1 1566 . 1 . 1 123 123 ALA C C 13 179.834 0.2 . 1 . . 710 . . 624 ALA C . 25111 1 1567 . 1 . 1 123 123 ALA CA C 13 54.767 0.039 . 1 . . 383 . . 624 ALA CA . 25111 1 1568 . 1 . 1 123 123 ALA CB C 13 17.960 0.016 . 1 . . 382 . . 624 ALA CB . 25111 1 1569 . 1 . 1 123 123 ALA N N 15 121.638 0.012 . 1 . . 1702 . . 624 ALA N . 25111 1 1570 . 1 . 1 124 124 PHE H H 1 8.003 0.005 . 1 . . 1941 . . 625 PHE H . 25111 1 1571 . 1 . 1 124 124 PHE HA H 1 4.505 0.005 . 1 . . 549 . . 625 PHE HA . 25111 1 1572 . 1 . 1 124 124 PHE HB2 H 1 3.122 0.007 . 2 . . 990 . . 625 PHE HB2 . 25111 1 1573 . 1 . 1 124 124 PHE HB3 H 1 3.352 0.008 . 2 . . 991 . . 625 PHE HB3 . 25111 1 1574 . 1 . 1 124 124 PHE HD1 H 1 7.218 0.01 . 3 . . 1418 . . 625 PHE HD1 . 25111 1 1575 . 1 . 1 124 124 PHE HD2 H 1 7.218 0.01 . 3 . . 1418 . . 625 PHE HD2 . 25111 1 1576 . 1 . 1 124 124 PHE HE1 H 1 7.182 0.011 . 3 . . 1468 . . 625 PHE HE1 . 25111 1 1577 . 1 . 1 124 124 PHE HE2 H 1 7.182 0.011 . 3 . . 1468 . . 625 PHE HE2 . 25111 1 1578 . 1 . 1 124 124 PHE HZ H 1 7.078 0.013 . 1 . . 1470 . . 625 PHE HZ . 25111 1 1579 . 1 . 1 124 124 PHE C C 13 177.167 0.2 . 1 . . 711 . . 625 PHE C . 25111 1 1580 . 1 . 1 124 124 PHE CA C 13 58.971 0.05 . 1 . . 445 . . 625 PHE CA . 25111 1 1581 . 1 . 1 124 124 PHE CB C 13 38.683 0.045 . 1 . . 444 . . 625 PHE CB . 25111 1 1582 . 1 . 1 124 124 PHE CD1 C 13 131.314 0.061 . 3 . . 1419 . . 625 PHE CD1 . 25111 1 1583 . 1 . 1 124 124 PHE CD2 C 13 131.314 0.061 . 3 . . 1419 . . 625 PHE CD2 . 25111 1 1584 . 1 . 1 124 124 PHE CE1 C 13 131.177 0.048 . 3 . . 1469 . . 625 PHE CE1 . 25111 1 1585 . 1 . 1 124 124 PHE CE2 C 13 131.177 0.048 . 3 . . 1469 . . 625 PHE CE2 . 25111 1 1586 . 1 . 1 124 124 PHE CZ C 13 129.066 0.082 . 1 . . 1471 . . 625 PHE CZ . 25111 1 1587 . 1 . 1 124 124 PHE N N 15 116.573 0.024 . 1 . . 1940 . . 625 PHE N . 25111 1 1588 . 1 . 1 125 125 GLU H H 1 8.069 0.005 . 1 . . 1682 . . 626 GLU H . 25111 1 1589 . 1 . 1 125 125 GLU HA H 1 4.176 0.006 . 1 . . 534 . . 626 GLU HA . 25111 1 1590 . 1 . 1 125 125 GLU HB2 H 1 2.121 0.006 . 2 . . 992 . . 626 GLU HB2 . 25111 1 1591 . 1 . 1 125 125 GLU HB3 H 1 2.201 0.002 . 2 . . 993 . . 626 GLU HB3 . 25111 1 1592 . 1 . 1 125 125 GLU HG2 H 1 2.351 0.005 . 2 . . 994 . . 626 GLU HG2 . 25111 1 1593 . 1 . 1 125 125 GLU HG3 H 1 2.577 0.005 . 2 . . 995 . . 626 GLU HG3 . 25111 1 1594 . 1 . 1 125 125 GLU C C 13 177.861 0.2 . 1 . . 712 . . 626 GLU C . 25111 1 1595 . 1 . 1 125 125 GLU CA C 13 58.570 0.048 . 1 . . 567 . . 626 GLU CA . 25111 1 1596 . 1 . 1 125 125 GLU CB C 13 29.981 0.018 . 1 . . 446 . . 626 GLU CB . 25111 1 1597 . 1 . 1 125 125 GLU CG C 13 36.691 0.034 . 1 . . 996 . . 626 GLU CG . 25111 1 1598 . 1 . 1 125 125 GLU N N 15 118.924 0.025 . 1 . . 1681 . . 626 GLU N . 25111 1 1599 . 1 . 1 126 126 THR H H 1 7.745 0.005 . 1 . . 1813 . . 627 THR H . 25111 1 1600 . 1 . 1 126 126 THR HA H 1 4.266 0.005 . 1 . . 518 . . 627 THR HA . 25111 1 1601 . 1 . 1 126 126 THR HB H 1 4.343 0.004 . 1 . . 1154 . . 627 THR HB . 25111 1 1602 . 1 . 1 126 126 THR HG1 H 1 8.571 0.017 . 1 . . 1614 . . 627 THR HG1 . 25111 1 1603 . 1 . 1 126 126 THR HG21 H 1 1.243 0.006 . 1 . . 1156 . . 627 THR HG21 . 25111 1 1604 . 1 . 1 126 126 THR HG22 H 1 1.243 0.006 . 1 . . 1156 . . 627 THR HG22 . 25111 1 1605 . 1 . 1 126 126 THR HG23 H 1 1.243 0.006 . 1 . . 1156 . . 627 THR HG23 . 25111 1 1606 . 1 . 1 126 126 THR C C 13 175.178 0.2 . 1 . . 713 . . 627 THR C . 25111 1 1607 . 1 . 1 126 126 THR CA C 13 63.423 0.061 . 1 . . 565 . . 627 THR CA . 25111 1 1608 . 1 . 1 126 126 THR CB C 13 69.544 0.027 . 1 . . 1155 . . 627 THR CB . 25111 1 1609 . 1 . 1 126 126 THR CG2 C 13 21.716 0.042 . 1 . . 1157 . . 627 THR CG2 . 25111 1 1610 . 1 . 1 126 126 THR N N 15 110.880 0.026 . 1 . . 1812 . . 627 THR N . 25111 1 1611 . 1 . 1 127 127 VAL H H 1 7.543 0.007 . 1 . . 1768 . . 628 VAL H . 25111 1 1612 . 1 . 1 127 127 VAL HA H 1 3.973 0.007 . 1 . . 517 . . 628 VAL HA . 25111 1 1613 . 1 . 1 127 127 VAL HB H 1 2.112 0.006 . 1 . . 1135 . . 628 VAL HB . 25111 1 1614 . 1 . 1 127 127 VAL HG11 H 1 0.878 0.005 . 2 . . 1136 . . 628 VAL HG11 . 25111 1 1615 . 1 . 1 127 127 VAL HG12 H 1 0.878 0.005 . 2 . . 1136 . . 628 VAL HG12 . 25111 1 1616 . 1 . 1 127 127 VAL HG13 H 1 0.878 0.005 . 2 . . 1136 . . 628 VAL HG13 . 25111 1 1617 . 1 . 1 127 127 VAL HG21 H 1 0.987 0.006 . 2 . . 1137 . . 628 VAL HG21 . 25111 1 1618 . 1 . 1 127 127 VAL HG22 H 1 0.987 0.006 . 2 . . 1137 . . 628 VAL HG22 . 25111 1 1619 . 1 . 1 127 127 VAL HG23 H 1 0.987 0.006 . 2 . . 1137 . . 628 VAL HG23 . 25111 1 1620 . 1 . 1 127 127 VAL C C 13 176.047 0.2 . 1 . . 714 . . 628 VAL C . 25111 1 1621 . 1 . 1 127 127 VAL CA C 13 63.590 0.036 . 1 . . 429 . . 628 VAL CA . 25111 1 1622 . 1 . 1 127 127 VAL CB C 13 32.362 0.046 . 1 . . 566 . . 628 VAL CB . 25111 1 1623 . 1 . 1 127 127 VAL CG1 C 13 21.360 0.051 . 2 . . 1138 . . 628 VAL CG1 . 25111 1 1624 . 1 . 1 127 127 VAL CG2 C 13 21.676 0.02 . 2 . . 1139 . . 628 VAL CG2 . 25111 1 1625 . 1 . 1 127 127 VAL N N 15 121.324 0.027 . 1 . . 1767 . . 628 VAL N . 25111 1 1626 . 1 . 1 128 128 ALA H H 1 8.198 0.005 . 1 . . 1651 . . 629 ALA H . 25111 1 1627 . 1 . 1 128 128 ALA HA H 1 4.268 0.006 . 1 . . 513 . . 629 ALA HA . 25111 1 1628 . 1 . 1 128 128 ALA HB1 H 1 1.371 0.008 . 1 . . 997 . . 629 ALA HB1 . 25111 1 1629 . 1 . 1 128 128 ALA HB2 H 1 1.371 0.008 . 1 . . 997 . . 629 ALA HB2 . 25111 1 1630 . 1 . 1 128 128 ALA HB3 H 1 1.371 0.008 . 1 . . 997 . . 629 ALA HB3 . 25111 1 1631 . 1 . 1 128 128 ALA C C 13 178.149 0.2 . 1 . . 715 . . 629 ALA C . 25111 1 1632 . 1 . 1 128 128 ALA CA C 13 53.005 0.022 . 1 . . 447 . . 629 ALA CA . 25111 1 1633 . 1 . 1 128 128 ALA CB C 13 19.023 0.012 . 1 . . 603 . . 629 ALA CB . 25111 1 1634 . 1 . 1 128 128 ALA N N 15 126.073 0.028 . 1 . . 1650 . . 629 ALA N . 25111 1 1635 . 1 . 1 129 129 ILE H H 1 8.040 0.005 . 1 . . 1866 . . 630 ILE H . 25111 1 1636 . 1 . 1 129 129 ILE HA H 1 3.934 0.005 . 1 . . 604 . . 630 ILE HA . 25111 1 1637 . 1 . 1 129 129 ILE HB H 1 1.879 0.007 . 1 . . 998 . . 630 ILE HB . 25111 1 1638 . 1 . 1 129 129 ILE HG12 H 1 1.201 0.005 . 2 . . 1120 . . 630 ILE HG12 . 25111 1 1639 . 1 . 1 129 129 ILE HG13 H 1 1.533 0.01 . 2 . . 1121 . . 630 ILE HG13 . 25111 1 1640 . 1 . 1 129 129 ILE HG21 H 1 0.906 0.005 . 1 . . 1122 . . 630 ILE HG21 . 25111 1 1641 . 1 . 1 129 129 ILE HG22 H 1 0.906 0.005 . 1 . . 1122 . . 630 ILE HG22 . 25111 1 1642 . 1 . 1 129 129 ILE HG23 H 1 0.906 0.005 . 1 . . 1122 . . 630 ILE HG23 . 25111 1 1643 . 1 . 1 129 129 ILE HD11 H 1 0.837 0.006 . 1 . . 1124 . . 630 ILE HD11 . 25111 1 1644 . 1 . 1 129 129 ILE HD12 H 1 0.837 0.006 . 1 . . 1124 . . 630 ILE HD12 . 25111 1 1645 . 1 . 1 129 129 ILE HD13 H 1 0.837 0.006 . 1 . . 1124 . . 630 ILE HD13 . 25111 1 1646 . 1 . 1 129 129 ILE C C 13 176.682 0.2 . 1 . . 716 . . 630 ILE C . 25111 1 1647 . 1 . 1 129 129 ILE CA C 13 62.721 0.037 . 1 . . 448 . . 630 ILE CA . 25111 1 1648 . 1 . 1 129 129 ILE CB C 13 38.554 0.045 . 1 . . 1119 . . 630 ILE CB . 25111 1 1649 . 1 . 1 129 129 ILE CG1 C 13 28.056 0.07 . 1 . . 1123 . . 630 ILE CG1 . 25111 1 1650 . 1 . 1 129 129 ILE CG2 C 13 17.706 0.039 . 1 . . 1125 . . 630 ILE CG2 . 25111 1 1651 . 1 . 1 129 129 ILE CD1 C 13 13.320 0.024 . 1 . . 1265 . . 630 ILE CD1 . 25111 1 1652 . 1 . 1 129 129 ILE N N 15 119.768 0.032 . 1 . . 1865 . . 630 ILE N . 25111 1 1653 . 1 . 1 130 130 ASP H H 1 8.258 0.005 . 1 . . 1830 . . 631 ASP H . 25111 1 1654 . 1 . 1 130 130 ASP HA H 1 4.520 0.007 . 1 . . 745 . . 631 ASP HA . 25111 1 1655 . 1 . 1 130 130 ASP HB2 H 1 2.693 0.005 . 2 . . 999 . . 631 ASP HB2 . 25111 1 1656 . 1 . 1 130 130 ASP HB3 H 1 2.689 0.006 . 2 . . 1538 . . 631 ASP HB3 . 25111 1 1657 . 1 . 1 130 130 ASP C C 13 177.006 0.2 . 1 . . 717 . . 631 ASP C . 25111 1 1658 . 1 . 1 130 130 ASP CA C 13 55.277 0.069 . 1 . . 472 . . 631 ASP CA . 25111 1 1659 . 1 . 1 130 130 ASP CB C 13 41.047 0.044 . 1 . . 605 . . 631 ASP CB . 25111 1 1660 . 1 . 1 130 130 ASP N N 15 121.212 0.029 . 1 . . 1829 . . 631 ASP N . 25111 1 1661 . 1 . 1 131 131 ARG H H 1 8.032 0.004 . 1 . . 1688 . . 632 ARG H . 25111 1 1662 . 1 . 1 131 131 ARG HA H 1 4.235 0.008 . 1 . . 1126 . . 632 ARG HA . 25111 1 1663 . 1 . 1 131 131 ARG HB2 H 1 1.916 0.004 . 2 . . 1127 . . 632 ARG HB2 . 25111 1 1664 . 1 . 1 131 131 ARG HB3 H 1 1.805 0.007 . 2 . . 1128 . . 632 ARG HB3 . 25111 1 1665 . 1 . 1 131 131 ARG HG2 H 1 1.616 0.009 . 2 . . 1129 . . 632 ARG HG2 . 25111 1 1666 . 1 . 1 131 131 ARG HG3 H 1 1.656 0.004 . 2 . . 1130 . . 632 ARG HG3 . 25111 1 1667 . 1 . 1 131 131 ARG HD2 H 1 3.181 0.007 . 2 . . 1132 . . 632 ARG HD2 . 25111 1 1668 . 1 . 1 131 131 ARG HD3 H 1 3.182 0.01 . 2 . . 1133 . . 632 ARG HD3 . 25111 1 1669 . 1 . 1 131 131 ARG C C 13 177.142 0.2 . 1 . . 1373 . . 632 ARG C . 25111 1 1670 . 1 . 1 131 131 ARG CA C 13 56.881 0.035 . 1 . . 606 . . 632 ARG CA . 25111 1 1671 . 1 . 1 131 131 ARG CB C 13 30.504 0.036 . 1 . . 607 . . 632 ARG CB . 25111 1 1672 . 1 . 1 131 131 ARG CG C 13 27.343 0.011 . 1 . . 1131 . . 632 ARG CG . 25111 1 1673 . 1 . 1 131 131 ARG CD C 13 43.381 0.052 . 1 . . 1134 . . 632 ARG CD . 25111 1 1674 . 1 . 1 131 131 ARG N N 15 119.095 0.033 . 1 . . 1687 . . 632 ARG N . 25111 1 1675 . 1 . 1 132 132 LEU H H 1 8.066 0.007 . 1 . . 1690 . . 633 LEU H . 25111 1 1676 . 1 . 1 132 132 LEU HA H 1 4.211 0.008 . 1 . . 1178 . . 633 LEU HA . 25111 1 1677 . 1 . 1 132 132 LEU HB2 H 1 1.754 0.005 . 2 . . 1179 . . 633 LEU HB2 . 25111 1 1678 . 1 . 1 132 132 LEU HB3 H 1 1.565 0.005 . 2 . . 1323 . . 633 LEU HB3 . 25111 1 1679 . 1 . 1 132 132 LEU HG H 1 1.683 0.002 . 1 . . 1180 . . 633 LEU HG . 25111 1 1680 . 1 . 1 132 132 LEU HD11 H 1 0.828 0.004 . 2 . . 1503 . . 633 LEU HD11 . 25111 1 1681 . 1 . 1 132 132 LEU HD12 H 1 0.828 0.004 . 2 . . 1503 . . 633 LEU HD12 . 25111 1 1682 . 1 . 1 132 132 LEU HD13 H 1 0.828 0.004 . 2 . . 1503 . . 633 LEU HD13 . 25111 1 1683 . 1 . 1 132 132 LEU HD21 H 1 0.883 0.005 . 2 . . 1505 . . 633 LEU HD21 . 25111 1 1684 . 1 . 1 132 132 LEU HD22 H 1 0.883 0.005 . 2 . . 1505 . . 633 LEU HD22 . 25111 1 1685 . 1 . 1 132 132 LEU HD23 H 1 0.883 0.005 . 2 . . 1505 . . 633 LEU HD23 . 25111 1 1686 . 1 . 1 132 132 LEU C C 13 177.589 0.2 . 1 . . 1372 . . 633 LEU C . 25111 1 1687 . 1 . 1 132 132 LEU CA C 13 56.179 0.054 . 1 . . 471 . . 633 LEU CA . 25111 1 1688 . 1 . 1 132 132 LEU CB C 13 42.034 0.036 . 1 . . 1324 . . 633 LEU CB . 25111 1 1689 . 1 . 1 132 132 LEU CG C 13 26.752 0.003 . 1 . . 1507 . . 633 LEU CG . 25111 1 1690 . 1 . 1 132 132 LEU CD1 C 13 23.537 0.025 . 2 . . 1504 . . 633 LEU CD1 . 25111 1 1691 . 1 . 1 132 132 LEU CD2 C 13 25.307 0.077 . 2 . . 1506 . . 633 LEU CD2 . 25111 1 1692 . 1 . 1 132 132 LEU N N 15 120.589 0.023 . 1 . . 1689 . . 633 LEU N . 25111 1 1693 . 1 . 1 133 133 ASP H H 1 8.180 0.009 . 1 . . 1744 . . 634 ASP H . 25111 1 1694 . 1 . 1 133 133 ASP HA H 1 4.506 0.006 . 1 . . 1107 . . 634 ASP HA . 25111 1 1695 . 1 . 1 133 133 ASP HB2 H 1 2.706 0.006 . 2 . . 1238 . . 634 ASP HB2 . 25111 1 1696 . 1 . 1 133 133 ASP HB3 H 1 2.696 0.004 . 2 . . 1539 . . 634 ASP HB3 . 25111 1 1697 . 1 . 1 133 133 ASP CA C 13 55.005 0.058 . 1 . . 1237 . . 634 ASP CA . 25111 1 1698 . 1 . 1 133 133 ASP CB C 13 41.004 0.06 . 1 . . 1272 . . 634 ASP CB . 25111 1 1699 . 1 . 1 133 133 ASP N N 15 119.103 0.03 . 1 . . 1743 . . 634 ASP N . 25111 1 1700 . 1 . 1 134 134 ARG HA H 1 4.255 0.006 . 1 . . 1339 . . 635 ARG HA . 25111 1 1701 . 1 . 1 134 134 ARG HB2 H 1 1.905 0.003 . 2 . . 1330 . . 635 ARG HB2 . 25111 1 1702 . 1 . 1 134 134 ARG HB3 H 1 1.805 0.009 . 2 . . 1332 . . 635 ARG HB3 . 25111 1 1703 . 1 . 1 134 134 ARG HG2 H 1 1.622 0.002 . 2 . . 1333 . . 635 ARG HG2 . 25111 1 1704 . 1 . 1 134 134 ARG HG3 H 1 1.683 0.009 . 2 . . 1334 . . 635 ARG HG3 . 25111 1 1705 . 1 . 1 134 134 ARG HD2 H 1 3.174 0.011 . 2 . . 1336 . . 635 ARG HD2 . 25111 1 1706 . 1 . 1 134 134 ARG HD3 H 1 3.205 0.005 . 2 . . 1337 . . 635 ARG HD3 . 25111 1 1707 . 1 . 1 134 134 ARG HE H 1 7.476 0.007 . 1 . . 1821 . . 635 ARG HE . 25111 1 1708 . 1 . 1 134 134 ARG C C 13 177.081 0.2 . 1 . . 1371 . . 635 ARG C . 25111 1 1709 . 1 . 1 134 134 ARG CA C 13 56.910 0.005 . 1 . . 1340 . . 635 ARG CA . 25111 1 1710 . 1 . 1 134 134 ARG CB C 13 30.781 0.06 . 1 . . 1331 . . 635 ARG CB . 25111 1 1711 . 1 . 1 134 134 ARG CG C 13 27.331 0.016 . 1 . . 1335 . . 635 ARG CG . 25111 1 1712 . 1 . 1 134 134 ARG CD C 13 43.392 0.028 . 1 . . 1338 . . 635 ARG CD . 25111 1 1713 . 1 . 1 134 134 ARG NE N 15 84.448 0.042 . 1 . . 1822 . . 635 ARG NE . 25111 1 1714 . 1 . 1 135 135 ILE H H 1 8.034 0.005 . 1 . . 1675 . . 636 ILE H . 25111 1 1715 . 1 . 1 135 135 ILE HA H 1 4.085 0.006 . 1 . . 725 . . 636 ILE HA . 25111 1 1716 . 1 . 1 135 135 ILE HB H 1 1.908 0.005 . 1 . . 1247 . . 636 ILE HB . 25111 1 1717 . 1 . 1 135 135 ILE HG12 H 1 1.212 0.005 . 2 . . 1260 . . 636 ILE HG12 . 25111 1 1718 . 1 . 1 135 135 ILE HG13 H 1 1.520 0.007 . 2 . . 1261 . . 636 ILE HG13 . 25111 1 1719 . 1 . 1 135 135 ILE HG21 H 1 0.899 0.004 . 1 . . 1263 . . 636 ILE HG21 . 25111 1 1720 . 1 . 1 135 135 ILE HG22 H 1 0.899 0.004 . 1 . . 1263 . . 636 ILE HG22 . 25111 1 1721 . 1 . 1 135 135 ILE HG23 H 1 0.899 0.004 . 1 . . 1263 . . 636 ILE HG23 . 25111 1 1722 . 1 . 1 135 135 ILE HD11 H 1 0.835 0.006 . 1 . . 1508 . . 636 ILE HD11 . 25111 1 1723 . 1 . 1 135 135 ILE HD12 H 1 0.835 0.006 . 1 . . 1508 . . 636 ILE HD12 . 25111 1 1724 . 1 . 1 135 135 ILE HD13 H 1 0.835 0.006 . 1 . . 1508 . . 636 ILE HD13 . 25111 1 1725 . 1 . 1 135 135 ILE C C 13 177.057 0.2 . 1 . . 608 . . 636 ILE C . 25111 1 1726 . 1 . 1 135 135 ILE CA C 13 62.269 0.021 . 1 . . 466 . . 636 ILE CA . 25111 1 1727 . 1 . 1 135 135 ILE CB C 13 38.454 0.045 . 1 . . 747 . . 636 ILE CB . 25111 1 1728 . 1 . 1 135 135 ILE CG1 C 13 27.846 0.025 . 1 . . 1262 . . 636 ILE CG1 . 25111 1 1729 . 1 . 1 135 135 ILE CG2 C 13 17.587 0.032 . 1 . . 1264 . . 636 ILE CG2 . 25111 1 1730 . 1 . 1 135 135 ILE CD1 C 13 13.297 0.043 . 1 . . 1509 . . 636 ILE CD1 . 25111 1 1731 . 1 . 1 135 135 ILE N N 15 119.873 0.037 . 1 . . 1674 . . 636 ILE N . 25111 1 1732 . 1 . 1 136 136 GLY H H 1 8.382 0.008 . 1 . . 1657 . . 637 GLY H . 25111 1 1733 . 1 . 1 136 136 GLY HA2 H 1 3.951 0.006 . 2 . . 1140 . . 637 GLY HA2 . 25111 1 1734 . 1 . 1 136 136 GLY HA3 H 1 3.946 0.005 . 2 . . 1540 . . 637 GLY HA3 . 25111 1 1735 . 1 . 1 136 136 GLY C C 13 174.424 0.2 . 1 . . 718 . . 637 GLY C . 25111 1 1736 . 1 . 1 136 136 GLY CA C 13 45.693 0.047 . 1 . . 746 . . 637 GLY CA . 25111 1 1737 . 1 . 1 136 136 GLY N N 15 111.527 0.022 . 1 . . 1656 . . 637 GLY N . 25111 1 1738 . 1 . 1 137 137 LYS H H 1 8.089 0.007 . 1 . . 1730 . . 638 LYS H . 25111 1 1739 . 1 . 1 137 137 LYS HA H 1 4.302 0.003 . 1 . . 492 . . 638 LYS HA . 25111 1 1740 . 1 . 1 137 137 LYS HB2 H 1 1.757 0.007 . 2 . . 1000 . . 638 LYS HB2 . 25111 1 1741 . 1 . 1 137 137 LYS HB3 H 1 1.849 0.007 . 2 . . 1001 . . 638 LYS HB3 . 25111 1 1742 . 1 . 1 137 137 LYS HG2 H 1 1.403 0.016 . 2 . . 1002 . . 638 LYS HG2 . 25111 1 1743 . 1 . 1 137 137 LYS HG3 H 1 1.450 0.005 . 2 . . 1003 . . 638 LYS HG3 . 25111 1 1744 . 1 . 1 137 137 LYS HD2 H 1 1.667 0.01 . 2 . . 1510 . . 638 LYS HD2 . 25111 1 1745 . 1 . 1 137 137 LYS HD3 H 1 1.758 0.011 . 2 . . 1541 . . 638 LYS HD3 . 25111 1 1746 . 1 . 1 137 137 LYS HE2 H 1 2.981 0.005 . 2 . . 1512 . . 638 LYS HE2 . 25111 1 1747 . 1 . 1 137 137 LYS HE3 H 1 2.985 0.007 . 2 . . 1543 . . 638 LYS HE3 . 25111 1 1748 . 1 . 1 137 137 LYS C C 13 177.013 0.2 . 1 . . 719 . . 638 LYS C . 25111 1 1749 . 1 . 1 137 137 LYS CA C 13 56.525 0.056 . 1 . . 414 . . 638 LYS CA . 25111 1 1750 . 1 . 1 137 137 LYS CB C 13 33.068 0.076 . 1 . . 596 . . 638 LYS CB . 25111 1 1751 . 1 . 1 137 137 LYS CG C 13 24.922 0.033 . 1 . . 1141 . . 638 LYS CG . 25111 1 1752 . 1 . 1 137 137 LYS CD C 13 29.152 0.043 . 1 . . 1511 . . 638 LYS CD . 25111 1 1753 . 1 . 1 137 137 LYS CE C 13 42.241 0.02 . 1 . . 1542 . . 638 LYS CE . 25111 1 1754 . 1 . 1 137 137 LYS N N 15 120.613 0.015 . 1 . . 1729 . . 638 LYS N . 25111 1 1755 . 1 . 1 138 138 LYS H H 1 8.343 0.005 . 1 . . 1824 . . 639 LYS H . 25111 1 1756 . 1 . 1 138 138 LYS HA H 1 4.253 0.006 . 1 . . 525 . . 639 LYS HA . 25111 1 1757 . 1 . 1 138 138 LYS HB2 H 1 1.774 0.008 . 2 . . 1513 . . 639 LYS HB2 . 25111 1 1758 . 1 . 1 138 138 LYS HB3 H 1 1.823 0.007 . 2 . . 1514 . . 639 LYS HB3 . 25111 1 1759 . 1 . 1 138 138 LYS C C 13 176.567 0.2 . 1 . . 720 . . 639 LYS C . 25111 1 1760 . 1 . 1 138 138 LYS CA C 13 56.901 0.034 . 1 . . 411 . . 639 LYS CA . 25111 1 1761 . 1 . 1 138 138 LYS CB C 13 32.970 0.068 . 1 . . 410 . . 639 LYS CB . 25111 1 1762 . 1 . 1 138 138 LYS N N 15 121.709 0.018 . 1 . . 1823 . . 639 LYS N . 25111 1 1763 . 1 . 1 139 139 ASN H H 1 8.420 0.006 . 1 . . 1678 . . 640 ASN H . 25111 1 1764 . 1 . 1 139 139 ASN HA H 1 4.694 0.006 . 1 . . 519 . . 640 ASN HA . 25111 1 1765 . 1 . 1 139 139 ASN HB2 H 1 2.769 0.006 . 2 . . 1004 . . 640 ASN HB2 . 25111 1 1766 . 1 . 1 139 139 ASN HB3 H 1 2.836 0.006 . 2 . . 1005 . . 640 ASN HB3 . 25111 1 1767 . 1 . 1 139 139 ASN HD21 H 1 7.628 0.004 . 1 . . 1679 . . 640 ASN HD21 . 25111 1 1768 . 1 . 1 139 139 ASN HD22 H 1 6.937 0.005 . 1 . . 1680 . . 640 ASN HD22 . 25111 1 1769 . 1 . 1 139 139 ASN C C 13 175.266 0.2 . 1 . . 721 . . 640 ASN C . 25111 1 1770 . 1 . 1 139 139 ASN CA C 13 53.527 0.036 . 1 . . 413 . . 640 ASN CA . 25111 1 1771 . 1 . 1 139 139 ASN CB C 13 38.996 0.045 . 1 . . 412 . . 640 ASN CB . 25111 1 1772 . 1 . 1 139 139 ASN N N 15 119.073 0.026 . 1 . . 1676 . . 640 ASN N . 25111 1 1773 . 1 . 1 139 139 ASN ND2 N 15 112.809 0.031 . 1 . . 1677 . . 640 ASN ND2 . 25111 1 1774 . 1 . 1 140 140 SER H H 1 8.192 0.005 . 1 . . 1686 . . 641 SER H . 25111 1 1775 . 1 . 1 140 140 SER HA H 1 4.430 0.004 . 1 . . 476 . . 641 SER HA . 25111 1 1776 . 1 . 1 140 140 SER HB2 H 1 3.845 0.01 . 2 . . 1006 . . 641 SER HB2 . 25111 1 1777 . 1 . 1 140 140 SER HB3 H 1 3.868 0.008 . 2 . . 1007 . . 641 SER HB3 . 25111 1 1778 . 1 . 1 140 140 SER C C 13 174.532 0.2 . 1 . . 722 . . 641 SER C . 25111 1 1779 . 1 . 1 140 140 SER CA C 13 58.735 0.021 . 1 . . 440 . . 641 SER CA . 25111 1 1780 . 1 . 1 140 140 SER CB C 13 63.903 0.01 . 1 . . 439 . . 641 SER CB . 25111 1 1781 . 1 . 1 140 140 SER N N 15 115.979 0.018 . 1 . . 1685 . . 641 SER N . 25111 1 1782 . 1 . 1 141 141 ILE H H 1 8.082 0.006 . 1 . . 1713 . . 642 ILE H . 25111 1 1783 . 1 . 1 141 141 ILE HA H 1 4.141 0.003 . 1 . . 501 . . 642 ILE HA . 25111 1 1784 . 1 . 1 141 141 ILE HB H 1 1.857 0.004 . 1 . . 1008 . . 642 ILE HB . 25111 1 1785 . 1 . 1 141 141 ILE HG12 H 1 1.160 0.003 . 2 . . 1010 . . 642 ILE HG12 . 25111 1 1786 . 1 . 1 141 141 ILE HG13 H 1 1.437 0.005 . 2 . . 1011 . . 642 ILE HG13 . 25111 1 1787 . 1 . 1 141 141 ILE HG21 H 1 0.864 0.007 . 1 . . 1009 . . 642 ILE HG21 . 25111 1 1788 . 1 . 1 141 141 ILE HG22 H 1 0.864 0.007 . 1 . . 1009 . . 642 ILE HG22 . 25111 1 1789 . 1 . 1 141 141 ILE HG23 H 1 0.864 0.007 . 1 . . 1009 . . 642 ILE HG23 . 25111 1 1790 . 1 . 1 141 141 ILE HD11 H 1 0.840 0.009 . 1 . . 1013 . . 642 ILE HD11 . 25111 1 1791 . 1 . 1 141 141 ILE HD12 H 1 0.840 0.009 . 1 . . 1013 . . 642 ILE HD12 . 25111 1 1792 . 1 . 1 141 141 ILE HD13 H 1 0.840 0.009 . 1 . . 1013 . . 642 ILE HD13 . 25111 1 1793 . 1 . 1 141 141 ILE C C 13 175.793 0.2 . 1 . . 723 . . 642 ILE C . 25111 1 1794 . 1 . 1 141 141 ILE CA C 13 61.461 0.017 . 1 . . 354 . . 642 ILE CA . 25111 1 1795 . 1 . 1 141 141 ILE CB C 13 38.785 0.049 . 1 . . 355 . . 642 ILE CB . 25111 1 1796 . 1 . 1 141 141 ILE CG1 C 13 27.436 0.015 . 1 . . 1012 . . 642 ILE CG1 . 25111 1 1797 . 1 . 1 141 141 ILE CG2 C 13 17.571 0.113 . 1 . . 1142 . . 642 ILE CG2 . 25111 1 1798 . 1 . 1 141 141 ILE CD1 C 13 13.300 0.019 . 1 . . 1266 . . 642 ILE CD1 . 25111 1 1799 . 1 . 1 141 141 ILE N N 15 121.916 0.022 . 1 . . 1712 . . 642 ILE N . 25111 1 1800 . 1 . 1 142 142 LEU H H 1 8.154 0.005 . 1 . . 1826 . . 643 LEU H . 25111 1 1801 . 1 . 1 142 142 LEU HA H 1 4.340 0.004 . 1 . . 496 . . 643 LEU HA . 25111 1 1802 . 1 . 1 142 142 LEU HB2 H 1 1.505 0.003 . 2 . . 1014 . . 643 LEU HB2 . 25111 1 1803 . 1 . 1 142 142 LEU HB3 H 1 1.594 0.003 . 2 . . 1015 . . 643 LEU HB3 . 25111 1 1804 . 1 . 1 142 142 LEU HG H 1 1.567 0.012 . 1 . . 1452 . . 643 LEU HG . 25111 1 1805 . 1 . 1 142 142 LEU HD11 H 1 0.892 0.006 . 2 . . 1454 . . 643 LEU HD11 . 25111 1 1806 . 1 . 1 142 142 LEU HD12 H 1 0.892 0.006 . 2 . . 1454 . . 643 LEU HD12 . 25111 1 1807 . 1 . 1 142 142 LEU HD13 H 1 0.892 0.006 . 2 . . 1454 . . 643 LEU HD13 . 25111 1 1808 . 1 . 1 142 142 LEU HD21 H 1 0.832 0.004 . 2 . . 1567 . . 643 LEU HD21 . 25111 1 1809 . 1 . 1 142 142 LEU HD22 H 1 0.832 0.004 . 2 . . 1567 . . 643 LEU HD22 . 25111 1 1810 . 1 . 1 142 142 LEU HD23 H 1 0.832 0.004 . 2 . . 1567 . . 643 LEU HD23 . 25111 1 1811 . 1 . 1 142 142 LEU C C 13 176.784 0.2 . 1 . . 724 . . 643 LEU C . 25111 1 1812 . 1 . 1 142 142 LEU CA C 13 55.046 0.037 . 1 . . 357 . . 643 LEU CA . 25111 1 1813 . 1 . 1 142 142 LEU CB C 13 42.436 0.032 . 1 . . 356 . . 643 LEU CB . 25111 1 1814 . 1 . 1 142 142 LEU CG C 13 27.065 0.016 . 1 . . 1453 . . 643 LEU CG . 25111 1 1815 . 1 . 1 142 142 LEU CD1 C 13 25.151 0.07 . 2 . . 1455 . . 643 LEU CD1 . 25111 1 1816 . 1 . 1 142 142 LEU CD2 C 13 23.615 0.032 . 2 . . 1568 . . 643 LEU CD2 . 25111 1 1817 . 1 . 1 142 142 LEU N N 15 124.971 0.017 . 1 . . 1825 . . 643 LEU N . 25111 1 1818 . 1 . 1 143 143 LEU H H 1 8.118 0.006 . 1 . . 1874 . . 644 LEU H . 25111 1 1819 . 1 . 1 143 143 LEU HA H 1 4.301 0.003 . 1 . . 502 . . 644 LEU HA . 25111 1 1820 . 1 . 1 143 143 LEU CA C 13 55.152 0.016 . 1 . . 1318 . . 644 LEU CA . 25111 1 1821 . 1 . 1 143 143 LEU N N 15 123.150 0.009 . 1 . . 1873 . . 644 LEU N . 25111 1 1822 . 1 . 1 144 144 HIS H H 1 7.907 0.005 . 1 . . 1752 . . 645 HIS H . 25111 1 1823 . 1 . 1 144 144 HIS HA H 1 4.427 0.005 . 1 . . 1233 . . 645 HIS HA . 25111 1 1824 . 1 . 1 144 144 HIS HB2 H 1 3.088 0.005 . 2 . . 1234 . . 645 HIS HB2 . 25111 1 1825 . 1 . 1 144 144 HIS HB3 H 1 3.249 0.01 . 2 . . 1235 . . 645 HIS HB3 . 25111 1 1826 . 1 . 1 144 144 HIS HD2 H 1 7.220 0.003 . 1 . . 1593 . . 645 HIS HD2 . 25111 1 1827 . 1 . 1 144 144 HIS HE1 H 1 8.505 0.011 . 1 . . 1433 . . 645 HIS HE1 . 25111 1 1828 . 1 . 1 144 144 HIS HE2 H 1 7.618 0.05 . 1 . . 1628 . . 645 HIS HE2 . 25111 1 1829 . 1 . 1 144 144 HIS CA C 13 56.769 0.023 . 1 . . 1232 . . 645 HIS CA . 25111 1 1830 . 1 . 1 144 144 HIS CB C 13 30.166 0.028 . 1 . . 1236 . . 645 HIS CB . 25111 1 1831 . 1 . 1 144 144 HIS CD2 C 13 119.673 0.052 . 1 . . 1594 . . 645 HIS CD2 . 25111 1 1832 . 1 . 1 144 144 HIS CE1 C 13 136.038 0.022 . 1 . . 1434 . . 645 HIS CE1 . 25111 1 1833 . 1 . 1 144 144 HIS N N 15 123.061 0.038 . 1 . . 1751 . . 645 HIS N . 25111 1 stop_ save_