data_6930 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6930 _Entry.Title ; NMR assignments of SNF RBD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-03 _Entry.Accession_date 2006-01-03 _Entry.Last_release_date 2009-10-20 _Entry.Original_release_date 2009-10-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cong Liu . . . 6930 2 Gaofeng Cui . . . 6930 3 Changwen Jin . . . 6930 4 Bin Xia . . . 6930 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6930 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 457 6930 '15N chemical shifts' 106 6930 '1H chemical shifts' 762 6930 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 . . 2009-10-20 2006-01-03 original author . 6930 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6844 'Assignment of SNF RBD2' 6930 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6930 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19727396 _Citation.Full_citation . _Citation.Title 'Structure and Novel Functional Mechanism of Drosophila SNF in Sex-Lethal Splicing' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6890 _Citation.Page_last . _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jicheng Hu . . . 6930 1 2 Gaofeng Cui . . . 6930 1 3 Congmin Li . . . 6930 1 4 Cong Liu . . . 6930 1 5 Erchang Shang . . . 6930 1 6 Luhua Lai . . . 6930 1 7 Changwen Jin . . . 6930 1 8 Jiwu Wang . . . 6930 1 9 Bin Xia . . . 6930 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA binding protein' 6930 1 'RNA splicing factor' 6930 1 SNF 6930 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6930 _Assembly.ID 1 _Assembly.Name 'SNF RBD1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6930 1 stop_ 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 'SNF RBD1' 1 $entry . . no native no no . . . 6930 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA splicing factor' 6930 1 'snRNP protein' 6930 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entry _Entity.Sf_category entity _Entity.Sf_framecode entry _Entity.Entry_ID 6930 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'snRNP protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEMLPNQTIYINNLNEKIKK EELKKSLYAIFSQFGQILDI VALKTLKMRGQAFVIFKEIG SASNALRTMQGFPFYDKPMQ IAYSKSDSDIVAKIKGTFKE RPKK ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K3K . "Solution Structure Of Drosophila Melanogaster Snf Rbd1" . . . . . 100.00 104 100.00 100.00 1.59e-67 . . . . 6930 1 2 no GB AAA28441 . "small nuclear ribonucleoprotein [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 3 no GB AAA28903 . "nuclear protein [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 4 no GB AAF46017 . "sans fille [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 5 no GB AAL29039 . "LD45302p [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 6 no GB ACL84772 . "snf-PA, partial [synthetic construct]" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 7 no REF NP_511045 . "sans fille [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 8 no REF XP_002036935 . "GM12396 [Drosophila sechellia]" . . . . . 100.00 216 99.04 99.04 1.44e-65 . . . . 6930 1 9 no REF XP_002076873 . "GD24751 [Drosophila simulans]" . . . . . 54.81 169 100.00 100.00 1.46e-31 . . . . 6930 1 10 no SP P43332 . "RecName: Full=U1 small nuclear ribonucleoprotein A; Short=U1 snRNP A; Short=U1-A; Short=U1A; AltName: Full=Sex determination pr" . . . . . 100.00 216 100.00 100.00 1.32e-66 . . . . 6930 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding protein' 6930 1 'RNA splicing factor' 6930 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SNF . 6930 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'RNA binding protein' 6930 1 'RNA splicing factor' 6930 1 SNF 6930 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 . MET . 6930 1 2 . GLU . 6930 1 3 . MET . 6930 1 4 . LEU . 6930 1 5 . PRO . 6930 1 6 . ASN . 6930 1 7 . GLN . 6930 1 8 . THR . 6930 1 9 . ILE . 6930 1 10 . TYR . 6930 1 11 . ILE . 6930 1 12 . ASN . 6930 1 13 . ASN . 6930 1 14 . LEU . 6930 1 15 . ASN . 6930 1 16 . GLU . 6930 1 17 . LYS . 6930 1 18 . ILE . 6930 1 19 . LYS . 6930 1 20 . LYS . 6930 1 21 . GLU . 6930 1 22 . GLU . 6930 1 23 . LEU . 6930 1 24 . LYS . 6930 1 25 . LYS . 6930 1 26 . SER . 6930 1 27 . LEU . 6930 1 28 . TYR . 6930 1 29 . ALA . 6930 1 30 . ILE . 6930 1 31 . PHE . 6930 1 32 . SER . 6930 1 33 . GLN . 6930 1 34 . PHE . 6930 1 35 . GLY . 6930 1 36 . GLN . 6930 1 37 . ILE . 6930 1 38 . LEU . 6930 1 39 . ASP . 6930 1 40 . ILE . 6930 1 41 . VAL . 6930 1 42 . ALA . 6930 1 43 . LEU . 6930 1 44 . LYS . 6930 1 45 . THR . 6930 1 46 . LEU . 6930 1 47 . LYS . 6930 1 48 . MET . 6930 1 49 . ARG . 6930 1 50 . GLY . 6930 1 51 . GLN . 6930 1 52 . ALA . 6930 1 53 . PHE . 6930 1 54 . VAL . 6930 1 55 . ILE . 6930 1 56 . PHE . 6930 1 57 . LYS . 6930 1 58 . GLU . 6930 1 59 . ILE . 6930 1 60 . GLY . 6930 1 61 . SER . 6930 1 62 . ALA . 6930 1 63 . SER . 6930 1 64 . ASN . 6930 1 65 . ALA . 6930 1 66 . LEU . 6930 1 67 . ARG . 6930 1 68 . THR . 6930 1 69 . MET . 6930 1 70 . GLN . 6930 1 71 . GLY . 6930 1 72 . PHE . 6930 1 73 . PRO . 6930 1 74 . PHE . 6930 1 75 . TYR . 6930 1 76 . ASP . 6930 1 77 . LYS . 6930 1 78 . PRO . 6930 1 79 . MET . 6930 1 80 . GLN . 6930 1 81 . ILE . 6930 1 82 . ALA . 6930 1 83 . TYR . 6930 1 84 . SER . 6930 1 85 . LYS . 6930 1 86 . SER . 6930 1 87 . ASP . 6930 1 88 . SER . 6930 1 89 . ASP . 6930 1 90 . ILE . 6930 1 91 . VAL . 6930 1 92 . ALA . 6930 1 93 . LYS . 6930 1 94 . ILE . 6930 1 95 . LYS . 6930 1 96 . GLY . 6930 1 97 . THR . 6930 1 98 . PHE . 6930 1 99 . LYS . 6930 1 100 . GLU . 6930 1 101 . ARG . 6930 1 102 . PRO . 6930 1 103 . LYS . 6930 1 104 . LYS . 6930 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 . MET 1 1 6930 1 . GLU 2 2 6930 1 . MET 3 3 6930 1 . LEU 4 4 6930 1 . PRO 5 5 6930 1 . ASN 6 6 6930 1 . GLN 7 7 6930 1 . THR 8 8 6930 1 . ILE 9 9 6930 1 . TYR 10 10 6930 1 . ILE 11 11 6930 1 . ASN 12 12 6930 1 . ASN 13 13 6930 1 . LEU 14 14 6930 1 . ASN 15 15 6930 1 . GLU 16 16 6930 1 . LYS 17 17 6930 1 . ILE 18 18 6930 1 . LYS 19 19 6930 1 . LYS 20 20 6930 1 . GLU 21 21 6930 1 . GLU 22 22 6930 1 . LEU 23 23 6930 1 . LYS 24 24 6930 1 . LYS 25 25 6930 1 . SER 26 26 6930 1 . LEU 27 27 6930 1 . TYR 28 28 6930 1 . ALA 29 29 6930 1 . ILE 30 30 6930 1 . PHE 31 31 6930 1 . SER 32 32 6930 1 . GLN 33 33 6930 1 . PHE 34 34 6930 1 . GLY 35 35 6930 1 . GLN 36 36 6930 1 . ILE 37 37 6930 1 . LEU 38 38 6930 1 . ASP 39 39 6930 1 . ILE 40 40 6930 1 . VAL 41 41 6930 1 . ALA 42 42 6930 1 . LEU 43 43 6930 1 . LYS 44 44 6930 1 . THR 45 45 6930 1 . LEU 46 46 6930 1 . LYS 47 47 6930 1 . MET 48 48 6930 1 . ARG 49 49 6930 1 . GLY 50 50 6930 1 . GLN 51 51 6930 1 . ALA 52 52 6930 1 . PHE 53 53 6930 1 . VAL 54 54 6930 1 . ILE 55 55 6930 1 . PHE 56 56 6930 1 . LYS 57 57 6930 1 . GLU 58 58 6930 1 . ILE 59 59 6930 1 . GLY 60 60 6930 1 . SER 61 61 6930 1 . ALA 62 62 6930 1 . SER 63 63 6930 1 . ASN 64 64 6930 1 . ALA 65 65 6930 1 . LEU 66 66 6930 1 . ARG 67 67 6930 1 . THR 68 68 6930 1 . MET 69 69 6930 1 . GLN 70 70 6930 1 . GLY 71 71 6930 1 . PHE 72 72 6930 1 . PRO 73 73 6930 1 . PHE 74 74 6930 1 . TYR 75 75 6930 1 . ASP 76 76 6930 1 . LYS 77 77 6930 1 . PRO 78 78 6930 1 . MET 79 79 6930 1 . GLN 80 80 6930 1 . ILE 81 81 6930 1 . ALA 82 82 6930 1 . TYR 83 83 6930 1 . SER 84 84 6930 1 . LYS 85 85 6930 1 . SER 86 86 6930 1 . ASP 87 87 6930 1 . SER 88 88 6930 1 . ASP 89 89 6930 1 . ILE 90 90 6930 1 . VAL 91 91 6930 1 . ALA 92 92 6930 1 . LYS 93 93 6930 1 . ILE 94 94 6930 1 . LYS 95 95 6930 1 . GLY 96 96 6930 1 . THR 97 97 6930 1 . PHE 98 98 6930 1 . LYS 99 99 6930 1 . GLU 100 100 6930 1 . ARG 101 101 6930 1 . PRO 102 102 6930 1 . LYS 103 103 6930 1 . LYS 104 104 6930 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 6930 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entry . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6930 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 6930 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entry . 'recombinant technology' . 'Escherichia coli' BL21(DE3)pLysS . . . . . . . . . . . . . . . . . . . . . . . . . . 6930 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6930 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SNF RBD1' '[U-15N; U-13C]' . . 1 $entry . . 0.4 0.375 0.425 mM 0.05 . . . 6930 1 2 PBS . . . . . . . 50 . . mM . . . . 6930 1 3 NaCl . . . . . . . 50 . . mM . . . . 6930 1 4 H2O . . . . . . . 90 . . % . . . . 6930 1 5 D2Ol . . . . . . . 10 . . % . . . . 6930 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6930 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6930 1 temperature 298 . K 6930 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6930 _Software.ID 1 _Software.Name NMRView _Software.Version 5 _Software.Details 'Data analysis' 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 6930 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6930 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 9 '3D (H)CCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 11 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 12 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6930 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6930 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6930 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6930 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6930 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6930 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6930 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.372 0.03 . 1 . . . . 2 GLU HA . 6930 1 2 . 1 1 2 2 GLU HB2 H 1 2.050 0.03 . 2 . . . . 2 GLU HB2 . 6930 1 3 . 1 1 2 2 GLU HB3 H 1 1.940 0.03 . 2 . . . . 2 GLU HB3 . 6930 1 4 . 1 1 2 2 GLU HG2 H 1 2.265 0.03 . 1 . . . . 2 GLU HG2 . 6930 1 5 . 1 1 2 2 GLU HG3 H 1 2.265 0.03 . 1 . . . . 2 GLU HG3 . 6930 1 6 . 1 1 2 2 GLU C C 13 175.830 0.3 . 1 . . . . 2 GLU C . 6930 1 7 . 1 1 2 2 GLU CA C 13 56.340 0.3 . 1 . . . . 2 GLU CA . 6930 1 8 . 1 1 2 2 GLU CB C 13 30.550 0.3 . 1 . . . . 2 GLU CB . 6930 1 9 . 1 1 2 2 GLU CG C 13 36.240 0.3 . 1 . . . . 2 GLU CG . 6930 1 10 . 1 1 3 3 MET H H 1 8.529 0.03 . 1 . . . . 3 MET HN . 6930 1 11 . 1 1 3 3 MET HA H 1 4.534 0.03 . 1 . . . . 3 MET HA . 6930 1 12 . 1 1 3 3 MET HB2 H 1 2.090 0.03 . 2 . . . . 3 MET HB2 . 6930 1 13 . 1 1 3 3 MET HB3 H 1 2.100 0.03 . 2 . . . . 3 MET HB3 . 6930 1 14 . 1 1 3 3 MET HG2 H 1 2.660 0.03 . 2 . . . . 3 MET HG2 . 6930 1 15 . 1 1 3 3 MET HG3 H 1 2.597 0.03 . 2 . . . . 3 MET HG3 . 6930 1 16 . 1 1 3 3 MET HE1 H 1 1.000 0.03 . 1 . . . . 3 MET HE1 . 6930 1 17 . 1 1 3 3 MET HE2 H 1 1.000 0.03 . 1 . . . . 3 MET HE1 . 6930 1 18 . 1 1 3 3 MET HE3 H 1 1.000 0.03 . 1 . . . . 3 MET HE1 . 6930 1 19 . 1 1 3 3 MET C C 13 175.350 0.3 . 1 . . . . 3 MET C . 6930 1 20 . 1 1 3 3 MET CA C 13 54.950 0.3 . 1 . . . . 3 MET CA . 6930 1 21 . 1 1 3 3 MET CB C 13 33.150 0.3 . 1 . . . . 3 MET CB . 6930 1 22 . 1 1 3 3 MET CG C 13 32.050 0.3 . 1 . . . . 3 MET CG . 6930 1 23 . 1 1 3 3 MET CE C 13 16.250 0.3 . 1 . . . . 3 MET CE . 6930 1 24 . 1 1 3 3 MET N N 15 122.340 0.3 . 1 . . . . 3 MET N . 6930 1 25 . 1 1 4 4 LEU H H 1 8.265 0.03 . 1 . . . . 4 LEU HN . 6930 1 26 . 1 1 4 4 LEU HA H 1 4.579 0.03 . 1 . . . . 4 LEU HA . 6930 1 27 . 1 1 4 4 LEU HB2 H 1 1.483 0.03 . 2 . . . . 4 LEU HB2 . 6930 1 28 . 1 1 4 4 LEU HB3 H 1 1.557 0.03 . 2 . . . . 4 LEU HB3 . 6930 1 29 . 1 1 4 4 LEU HG H 1 1.625 0.03 . 1 . . . . 4 LEU HG . 6930 1 30 . 1 1 4 4 LEU HD11 H 1 0.918 0.03 . 2 . . . . 4 LEU HD11 . 6930 1 31 . 1 1 4 4 LEU HD12 H 1 0.918 0.03 . 2 . . . . 4 LEU HD11 . 6930 1 32 . 1 1 4 4 LEU HD13 H 1 0.918 0.03 . 2 . . . . 4 LEU HD11 . 6930 1 33 . 1 1 4 4 LEU HD21 H 1 0.880 0.03 . 2 . . . . 4 LEU HD21 . 6930 1 34 . 1 1 4 4 LEU HD22 H 1 0.880 0.03 . 2 . . . . 4 LEU HD21 . 6930 1 35 . 1 1 4 4 LEU HD23 H 1 0.880 0.03 . 2 . . . . 4 LEU HD21 . 6930 1 36 . 1 1 4 4 LEU CA C 13 52.620 0.3 . 1 . . . . 4 LEU CA . 6930 1 37 . 1 1 4 4 LEU CB C 13 41.780 0.3 . 1 . . . . 4 LEU CB . 6930 1 38 . 1 1 4 4 LEU CG C 13 26.950 0.3 . 1 . . . . 4 LEU CG . 6930 1 39 . 1 1 4 4 LEU CD1 C 13 25.130 0.3 . 1 . . . . 4 LEU CD1 . 6930 1 40 . 1 1 4 4 LEU CD2 C 13 23.450 0.3 . 1 . . . . 4 LEU CD2 . 6930 1 41 . 1 1 4 4 LEU N N 15 125.280 0.3 . 1 . . . . 4 LEU N . 6930 1 42 . 1 1 5 5 PRO HA H 1 4.268 0.03 . 1 . . . . 5 PRO HA . 6930 1 43 . 1 1 5 5 PRO HB2 H 1 1.785 0.03 . 2 . . . . 5 PRO HB2 . 6930 1 44 . 1 1 5 5 PRO HB3 H 1 1.509 0.03 . 2 . . . . 5 PRO HB3 . 6930 1 45 . 1 1 5 5 PRO HG2 H 1 1.924 0.03 . 2 . . . . 5 PRO HG2 . 6930 1 46 . 1 1 5 5 PRO HG3 H 1 1.764 0.03 . 2 . . . . 5 PRO HG3 . 6930 1 47 . 1 1 5 5 PRO HD2 H 1 3.820 0.03 . 2 . . . . 5 PRO HD2 . 6930 1 48 . 1 1 5 5 PRO HD3 H 1 3.482 0.03 . 2 . . . . 5 PRO HD3 . 6930 1 49 . 1 1 5 5 PRO C C 13 175.390 0.3 . 1 . . . . 5 PRO C . 6930 1 50 . 1 1 5 5 PRO CA C 13 62.620 0.3 . 1 . . . . 5 PRO CA . 6930 1 51 . 1 1 5 5 PRO CB C 13 32.300 0.3 . 1 . . . . 5 PRO CB . 6930 1 52 . 1 1 5 5 PRO CG C 13 27.630 0.3 . 1 . . . . 5 PRO CG . 6930 1 53 . 1 1 5 5 PRO CD C 13 50.500 0.3 . 1 . . . . 5 PRO CD . 6930 1 54 . 1 1 6 6 ASN H H 1 6.913 0.03 . 1 . . . . 6 ASN HN . 6930 1 55 . 1 1 6 6 ASN HA H 1 4.460 0.03 . 1 . . . . 6 ASN HA . 6930 1 56 . 1 1 6 6 ASN HB2 H 1 2.791 0.03 . 1 . . . . 6 ASN HB2 . 6930 1 57 . 1 1 6 6 ASN HB3 H 1 2.791 0.03 . 1 . . . . 6 ASN HB3 . 6930 1 58 . 1 1 6 6 ASN HD21 H 1 7.550 0.03 . 2 . . . . 6 ASN HD21 . 6930 1 59 . 1 1 6 6 ASN HD22 H 1 7.267 0.03 . 2 . . . . 6 ASN HD22 . 6930 1 60 . 1 1 6 6 ASN C C 13 172.390 0.3 . 1 . . . . 6 ASN C . 6930 1 61 . 1 1 6 6 ASN CA C 13 52.920 0.3 . 1 . . . . 6 ASN CA . 6930 1 62 . 1 1 6 6 ASN CB C 13 41.920 0.3 . 1 . . . . 6 ASN CB . 6930 1 63 . 1 1 6 6 ASN N N 15 117.610 0.3 . 1 . . . . 6 ASN N . 6930 1 64 . 1 1 6 6 ASN ND2 N 15 114.720 0.3 . 1 . . . . 6 ASN ND2 . 6930 1 65 . 1 1 7 7 GLN H H 1 8.465 0.03 . 1 . . . . 7 GLN HN . 6930 1 66 . 1 1 7 7 GLN HA H 1 4.164 0.03 . 1 . . . . 7 GLN HA . 6930 1 67 . 1 1 7 7 GLN HB2 H 1 2.080 0.03 . 2 . . . . 7 GLN HB2 . 6930 1 68 . 1 1 7 7 GLN HB3 H 1 2.018 0.03 . 2 . . . . 7 GLN HB3 . 6930 1 69 . 1 1 7 7 GLN HG2 H 1 2.226 0.03 . 2 . . . . 7 GLN HG2 . 6930 1 70 . 1 1 7 7 GLN HG3 H 1 2.364 0.03 . 2 . . . . 7 GLN HG3 . 6930 1 71 . 1 1 7 7 GLN HE21 H 1 7.971 0.03 . 2 . . . . 7 GLN HE21 . 6930 1 72 . 1 1 7 7 GLN HE22 H 1 6.931 0.03 . 2 . . . . 7 GLN HE22 . 6930 1 73 . 1 1 7 7 GLN C C 13 175.020 0.3 . 1 . . . . 7 GLN C . 6930 1 74 . 1 1 7 7 GLN CA C 13 58.100 0.3 . 1 . . . . 7 GLN CA . 6930 1 75 . 1 1 7 7 GLN CB C 13 29.270 0.3 . 1 . . . . 7 GLN CB . 6930 1 76 . 1 1 7 7 GLN CG C 13 35.750 0.3 . 1 . . . . 7 GLN CG . 6930 1 77 . 1 1 7 7 GLN N N 15 116.430 0.3 . 1 . . . . 7 GLN N . 6930 1 78 . 1 1 7 7 GLN NE2 N 15 111.160 0.3 . 1 . . . . 7 GLN NE2 . 6930 1 79 . 1 1 8 8 THR H H 1 8.374 0.03 . 1 . . . . 8 THR HN . 6930 1 80 . 1 1 8 8 THR HA H 1 5.399 0.03 . 1 . . . . 8 THR HA . 6930 1 81 . 1 1 8 8 THR HB H 1 4.028 0.03 . 1 . . . . 8 THR HB . 6930 1 82 . 1 1 8 8 THR HG21 H 1 1.083 0.03 . 1 . . . . 8 THR HG21 . 6930 1 83 . 1 1 8 8 THR HG22 H 1 1.083 0.03 . 1 . . . . 8 THR HG21 . 6930 1 84 . 1 1 8 8 THR HG23 H 1 1.083 0.03 . 1 . . . . 8 THR HG21 . 6930 1 85 . 1 1 8 8 THR C C 13 173.700 0.3 . 1 . . . . 8 THR C . 6930 1 86 . 1 1 8 8 THR CA C 13 62.380 0.3 . 1 . . . . 8 THR CA . 6930 1 87 . 1 1 8 8 THR CB C 13 69.100 0.3 . 1 . . . . 8 THR CB . 6930 1 88 . 1 1 8 8 THR CG2 C 13 23.050 0.3 . 1 . . . . 8 THR CG2 . 6930 1 89 . 1 1 8 8 THR N N 15 118.220 0.3 . 1 . . . . 8 THR N . 6930 1 90 . 1 1 9 9 ILE H H 1 8.794 0.03 . 1 . . . . 9 ILE HN . 6930 1 91 . 1 1 9 9 ILE HA H 1 5.085 0.03 . 1 . . . . 9 ILE HA . 6930 1 92 . 1 1 9 9 ILE HB H 1 1.635 0.03 . 1 . . . . 9 ILE HB . 6930 1 93 . 1 1 9 9 ILE HG12 H 1 1.411 0.03 . 1 . . . . 9 ILE HG11 . 6930 1 94 . 1 1 9 9 ILE HG13 H 1 1.250 0.03 . 1 . . . . 9 ILE HG12 . 6930 1 95 . 1 1 9 9 ILE HG21 H 1 0.835 0.03 . 1 . . . . 9 ILE HG21 . 6930 1 96 . 1 1 9 9 ILE HG22 H 1 0.835 0.03 . 1 . . . . 9 ILE HG21 . 6930 1 97 . 1 1 9 9 ILE HG23 H 1 0.835 0.03 . 1 . . . . 9 ILE HG21 . 6930 1 98 . 1 1 9 9 ILE HD11 H 1 0.352 0.03 . 1 . . . . 9 ILE HD11 . 6930 1 99 . 1 1 9 9 ILE HD12 H 1 0.352 0.03 . 1 . . . . 9 ILE HD11 . 6930 1 100 . 1 1 9 9 ILE HD13 H 1 0.352 0.03 . 1 . . . . 9 ILE HD11 . 6930 1 101 . 1 1 9 9 ILE C C 13 173.490 0.3 . 1 . . . . 9 ILE C . 6930 1 102 . 1 1 9 9 ILE CA C 13 59.000 0.3 . 1 . . . . 9 ILE CA . 6930 1 103 . 1 1 9 9 ILE CB C 13 39.710 0.3 . 1 . . . . 9 ILE CB . 6930 1 104 . 1 1 9 9 ILE CG1 C 13 26.210 0.3 . 1 . . . . 9 ILE CG1 . 6930 1 105 . 1 1 9 9 ILE CG2 C 13 18.480 0.3 . 1 . . . . 9 ILE CG2 . 6930 1 106 . 1 1 9 9 ILE CD1 C 13 13.850 0.3 . 1 . . . . 9 ILE CD1 . 6930 1 107 . 1 1 9 9 ILE N N 15 118.250 0.3 . 1 . . . . 9 ILE N . 6930 1 108 . 1 1 10 10 TYR H H 1 9.384 0.03 . 1 . . . . 10 TYR HN . 6930 1 109 . 1 1 10 10 TYR HA H 1 5.032 0.03 . 1 . . . . 10 TYR HA . 6930 1 110 . 1 1 10 10 TYR HB2 H 1 2.685 0.03 . 1 . . . . 10 TYR HB2 . 6930 1 111 . 1 1 10 10 TYR HB3 H 1 2.685 0.03 . 1 . . . . 10 TYR HB3 . 6930 1 112 . 1 1 10 10 TYR HD1 H 1 6.560 0.03 . 1 . . . . 10 TYR HD1 . 6930 1 113 . 1 1 10 10 TYR HD2 H 1 6.560 0.03 . 1 . . . . 10 TYR HD2 . 6930 1 114 . 1 1 10 10 TYR HE1 H 1 6.560 0.03 . 1 . . . . 10 TYR HE1 . 6930 1 115 . 1 1 10 10 TYR HE2 H 1 6.560 0.03 . 1 . . . . 10 TYR HE2 . 6930 1 116 . 1 1 10 10 TYR C C 13 173.920 0.3 . 1 . . . . 10 TYR C . 6930 1 117 . 1 1 10 10 TYR CA C 13 55.240 0.3 . 1 . . . . 10 TYR CA . 6930 1 118 . 1 1 10 10 TYR CB C 13 40.700 0.3 . 1 . . . . 10 TYR CB . 6930 1 119 . 1 1 10 10 TYR CD1 C 13 133.050 0.3 . 1 . . . . 10 TYR CD1 . 6930 1 120 . 1 1 10 10 TYR CD2 C 13 133.050 0.3 . 1 . . . . 10 TYR CD2 . 6930 1 121 . 1 1 10 10 TYR CE1 C 13 117.530 0.3 . 1 . . . . 10 TYR CE1 . 6930 1 122 . 1 1 10 10 TYR CE2 C 13 117.530 0.3 . 1 . . . . 10 TYR CE2 . 6930 1 123 . 1 1 10 10 TYR N N 15 124.310 0.3 . 1 . . . . 10 TYR N . 6930 1 124 . 1 1 11 11 ILE H H 1 9.000 0.03 . 1 . . . . 11 ILE HN . 6930 1 125 . 1 1 11 11 ILE HA H 1 4.629 0.03 . 1 . . . . 11 ILE HA . 6930 1 126 . 1 1 11 11 ILE HB H 1 1.473 0.03 . 1 . . . . 11 ILE HB . 6930 1 127 . 1 1 11 11 ILE HG12 H 1 1.265 0.03 . 1 . . . . 11 ILE HG11 . 6930 1 128 . 1 1 11 11 ILE HG13 H 1 0.828 0.03 . 1 . . . . 11 ILE HG12 . 6930 1 129 . 1 1 11 11 ILE HG21 H 1 0.897 0.03 . 1 . . . . 11 ILE HG21 . 6930 1 130 . 1 1 11 11 ILE HG22 H 1 0.897 0.03 . 1 . . . . 11 ILE HG21 . 6930 1 131 . 1 1 11 11 ILE HG23 H 1 0.897 0.03 . 1 . . . . 11 ILE HG21 . 6930 1 132 . 1 1 11 11 ILE HD11 H 1 0.498 0.03 . 1 . . . . 11 ILE HD11 . 6930 1 133 . 1 1 11 11 ILE HD12 H 1 0.498 0.03 . 1 . . . . 11 ILE HD11 . 6930 1 134 . 1 1 11 11 ILE HD13 H 1 0.498 0.03 . 1 . . . . 11 ILE HD11 . 6930 1 135 . 1 1 11 11 ILE C C 13 180.280 0.3 . 1 . . . . 11 ILE C . 6930 1 136 . 1 1 11 11 ILE CA C 13 60.050 0.3 . 1 . . . . 11 ILE CA . 6930 1 137 . 1 1 11 11 ILE CB C 13 40.350 0.3 . 1 . . . . 11 ILE CB . 6930 1 138 . 1 1 11 11 ILE CG1 C 13 28.100 0.3 . 1 . . . . 11 ILE CG1 . 6930 1 139 . 1 1 11 11 ILE CG2 C 13 19.480 0.3 . 1 . . . . 11 ILE CG2 . 6930 1 140 . 1 1 11 11 ILE CD1 C 13 15.760 0.3 . 1 . . . . 11 ILE CD1 . 6930 1 141 . 1 1 11 11 ILE N N 15 126.640 0.3 . 1 . . . . 11 ILE N . 6930 1 142 . 1 1 12 12 ASN H H 1 8.844 0.03 . 1 . . . . 12 ASN HN . 6930 1 143 . 1 1 12 12 ASN HA H 1 5.267 0.03 . 1 . . . . 12 ASN HA . 6930 1 144 . 1 1 12 12 ASN HB2 H 1 2.756 0.03 . 2 . . . . 12 ASN HB2 . 6930 1 145 . 1 1 12 12 ASN HB3 H 1 2.653 0.03 . 2 . . . . 12 ASN HB3 . 6930 1 146 . 1 1 12 12 ASN HD21 H 1 7.358 0.03 . 2 . . . . 12 ASN HD21 . 6930 1 147 . 1 1 12 12 ASN HD22 H 1 6.662 0.03 . 2 . . . . 12 ASN HD22 . 6930 1 148 . 1 1 12 12 ASN C C 13 174.640 0.3 . 1 . . . . 12 ASN C . 6930 1 149 . 1 1 12 12 ASN CA C 13 50.860 0.3 . 1 . . . . 12 ASN CA . 6930 1 150 . 1 1 12 12 ASN CB C 13 41.400 0.3 . 1 . . . . 12 ASN CB . 6930 1 151 . 1 1 12 12 ASN N N 15 123.520 0.3 . 1 . . . . 12 ASN N . 6930 1 152 . 1 1 12 12 ASN ND2 N 15 111.060 0.3 . 1 . . . . 12 ASN ND2 . 6930 1 153 . 1 1 13 13 ASN H H 1 8.689 0.03 . 1 . . . . 13 ASN HN . 6930 1 154 . 1 1 13 13 ASN HA H 1 4.456 0.03 . 1 . . . . 13 ASN HA . 6930 1 155 . 1 1 13 13 ASN HB2 H 1 2.379 0.03 . 2 . . . . 13 ASN HB2 . 6930 1 156 . 1 1 13 13 ASN HB3 H 1 3.671 0.03 . 2 . . . . 13 ASN HB3 . 6930 1 157 . 1 1 13 13 ASN HD21 H 1 8.214 0.03 . 2 . . . . 13 ASN HD21 . 6930 1 158 . 1 1 13 13 ASN HD22 H 1 7.235 0.03 . 2 . . . . 13 ASN HD22 . 6930 1 159 . 1 1 13 13 ASN C C 13 176.140 0.3 . 1 . . . . 13 ASN C . 6930 1 160 . 1 1 13 13 ASN CA C 13 53.920 0.3 . 1 . . . . 13 ASN CA . 6930 1 161 . 1 1 13 13 ASN CB C 13 39.360 0.3 . 1 . . . . 13 ASN CB . 6930 1 162 . 1 1 13 13 ASN N N 15 115.910 0.3 . 1 . . . . 13 ASN N . 6930 1 163 . 1 1 13 13 ASN ND2 N 15 111.930 0.3 . 1 . . . . 13 ASN ND2 . 6930 1 164 . 1 1 14 14 LEU H H 1 8.221 0.03 . 1 . . . . 14 LEU HN . 6930 1 165 . 1 1 14 14 LEU HA H 1 4.350 0.03 . 1 . . . . 14 LEU HA . 6930 1 166 . 1 1 14 14 LEU HB2 H 1 1.177 0.03 . 2 . . . . 14 LEU HB2 . 6930 1 167 . 1 1 14 14 LEU HB3 H 1 1.340 0.03 . 2 . . . . 14 LEU HB3 . 6930 1 168 . 1 1 14 14 LEU HG H 1 1.035 0.03 . 1 . . . . 14 LEU HG . 6930 1 169 . 1 1 14 14 LEU HD11 H 1 0.654 0.03 . 2 . . . . 14 LEU HD11 . 6930 1 170 . 1 1 14 14 LEU HD12 H 1 0.654 0.03 . 2 . . . . 14 LEU HD11 . 6930 1 171 . 1 1 14 14 LEU HD13 H 1 0.654 0.03 . 2 . . . . 14 LEU HD11 . 6930 1 172 . 1 1 14 14 LEU HD21 H 1 0.654 0.03 . 2 . . . . 14 LEU HD21 . 6930 1 173 . 1 1 14 14 LEU HD22 H 1 0.654 0.03 . 2 . . . . 14 LEU HD21 . 6930 1 174 . 1 1 14 14 LEU HD23 H 1 0.654 0.03 . 2 . . . . 14 LEU HD21 . 6930 1 175 . 1 1 14 14 LEU C C 13 177.880 0.3 . 1 . . . . 14 LEU C . 6930 1 176 . 1 1 14 14 LEU CA C 13 54.000 0.3 . 1 . . . . 14 LEU CA . 6930 1 177 . 1 1 14 14 LEU CB C 13 42.830 0.3 . 1 . . . . 14 LEU CB . 6930 1 178 . 1 1 14 14 LEU CG C 13 23.760 0.3 . 1 . . . . 14 LEU CG . 6930 1 179 . 1 1 14 14 LEU CD1 C 13 27.380 0.3 . 1 . . . . 14 LEU CD1 . 6930 1 180 . 1 1 14 14 LEU CD2 C 13 27.380 0.3 . 1 . . . . 14 LEU CD2 . 6930 1 181 . 1 1 14 14 LEU N N 15 116.310 0.3 . 1 . . . . 14 LEU N . 6930 1 182 . 1 1 15 15 ASN H H 1 9.226 0.03 . 1 . . . . 15 ASN HN . 6930 1 183 . 1 1 15 15 ASN HA H 1 4.225 0.03 . 1 . . . . 15 ASN HA . 6930 1 184 . 1 1 15 15 ASN HB2 H 1 2.831 0.03 . 2 . . . . 15 ASN HB2 . 6930 1 185 . 1 1 15 15 ASN HB3 H 1 2.695 0.03 . 2 . . . . 15 ASN HB3 . 6930 1 186 . 1 1 15 15 ASN HD21 H 1 8.137 0.03 . 2 . . . . 15 ASN HD21 . 6930 1 187 . 1 1 15 15 ASN HD22 H 1 7.179 0.03 . 2 . . . . 15 ASN HD22 . 6930 1 188 . 1 1 15 15 ASN C C 13 176.150 0.3 . 1 . . . . 15 ASN C . 6930 1 189 . 1 1 15 15 ASN CA C 13 54.210 0.3 . 1 . . . . 15 ASN CA . 6930 1 190 . 1 1 15 15 ASN CB C 13 38.050 0.3 . 1 . . . . 15 ASN CB . 6930 1 191 . 1 1 15 15 ASN N N 15 120.300 0.3 . 1 . . . . 15 ASN N . 6930 1 192 . 1 1 15 15 ASN ND2 N 15 112.700 0.3 . 1 . . . . 15 ASN ND2 . 6930 1 193 . 1 1 16 16 GLU H H 1 9.234 0.03 . 1 . . . . 16 GLU HN . 6930 1 194 . 1 1 16 16 GLU HA H 1 4.110 0.03 . 1 . . . . 16 GLU HA . 6930 1 195 . 1 1 16 16 GLU HB2 H 1 2.136 0.03 . 2 . . . . 16 GLU HB2 . 6930 1 196 . 1 1 16 16 GLU HB3 H 1 1.992 0.03 . 2 . . . . 16 GLU HB3 . 6930 1 197 . 1 1 16 16 GLU HG2 H 1 2.176 0.03 . 2 . . . . 16 GLU HG2 . 6930 1 198 . 1 1 16 16 GLU HG3 H 1 2.424 0.03 . 2 . . . . 16 GLU HG3 . 6930 1 199 . 1 1 16 16 GLU C C 13 176.510 0.3 . 1 . . . . 16 GLU C . 6930 1 200 . 1 1 16 16 GLU CA C 13 57.800 0.3 . 1 . . . . 16 GLU CA . 6930 1 201 . 1 1 16 16 GLU CB C 13 29.300 0.3 . 1 . . . . 16 GLU CB . 6930 1 202 . 1 1 16 16 GLU CG C 13 36.370 0.3 . 1 . . . . 16 GLU CG . 6930 1 203 . 1 1 16 16 GLU N N 15 128.160 0.3 . 1 . . . . 16 GLU N . 6930 1 204 . 1 1 17 17 LYS H H 1 8.421 0.03 . 1 . . . . 17 LYS HN . 6930 1 205 . 1 1 17 17 LYS HA H 1 4.170 0.03 . 1 . . . . 17 LYS HA . 6930 1 206 . 1 1 17 17 LYS HB2 H 1 1.843 0.03 . 2 . . . . 17 LYS HB2 . 6930 1 207 . 1 1 17 17 LYS HB3 H 1 1.907 0.03 . 2 . . . . 17 LYS HB3 . 6930 1 208 . 1 1 17 17 LYS HG2 H 1 1.381 0.03 . 2 . . . . 17 LYS HG2 . 6930 1 209 . 1 1 17 17 LYS HG3 H 1 1.460 0.03 . 2 . . . . 17 LYS HG3 . 6930 1 210 . 1 1 17 17 LYS HD2 H 1 1.688 0.03 . 2 . . . . 17 LYS HD2 . 6930 1 211 . 1 1 17 17 LYS HD3 H 1 1.710 0.03 . 2 . . . . 17 LYS HD3 . 6930 1 212 . 1 1 17 17 LYS HE2 H 1 3.000 0.03 . 1 . . . . 17 LYS HE2 . 6930 1 213 . 1 1 17 17 LYS HE3 H 1 3.000 0.03 . 1 . . . . 17 LYS HE3 . 6930 1 214 . 1 1 17 17 LYS C C 13 176.700 0.3 . 1 . . . . 17 LYS C . 6930 1 215 . 1 1 17 17 LYS CA C 13 56.750 0.3 . 1 . . . . 17 LYS CA . 6930 1 216 . 1 1 17 17 LYS CB C 13 32.370 0.3 . 1 . . . . 17 LYS CB . 6930 1 217 . 1 1 17 17 LYS CG C 13 25.460 0.3 . 1 . . . . 17 LYS CG . 6930 1 218 . 1 1 17 17 LYS CD C 13 29.250 0.3 . 1 . . . . 17 LYS CD . 6930 1 219 . 1 1 17 17 LYS CE C 13 42.120 0.3 . 1 . . . . 17 LYS CE . 6930 1 220 . 1 1 17 17 LYS N N 15 118.450 0.3 . 1 . . . . 17 LYS N . 6930 1 221 . 1 1 18 18 ILE H H 1 6.751 0.03 . 1 . . . . 18 ILE HN . 6930 1 222 . 1 1 18 18 ILE HA H 1 3.830 0.03 . 1 . . . . 18 ILE HA . 6930 1 223 . 1 1 18 18 ILE HB H 1 1.550 0.03 . 1 . . . . 18 ILE HB . 6930 1 224 . 1 1 18 18 ILE HG12 H 1 0.859 0.03 . 1 . . . . 18 ILE HG11 . 6930 1 225 . 1 1 18 18 ILE HG13 H 1 0.833 0.03 . 1 . . . . 18 ILE HG12 . 6930 1 226 . 1 1 18 18 ILE HG21 H 1 0.488 0.03 . 1 . . . . 18 ILE HG21 . 6930 1 227 . 1 1 18 18 ILE HG22 H 1 0.488 0.03 . 1 . . . . 18 ILE HG21 . 6930 1 228 . 1 1 18 18 ILE HG23 H 1 0.488 0.03 . 1 . . . . 18 ILE HG21 . 6930 1 229 . 1 1 18 18 ILE HD11 H 1 0.245 0.03 . 1 . . . . 18 ILE HD11 . 6930 1 230 . 1 1 18 18 ILE HD12 H 1 0.245 0.03 . 1 . . . . 18 ILE HD11 . 6930 1 231 . 1 1 18 18 ILE HD13 H 1 0.245 0.03 . 1 . . . . 18 ILE HD11 . 6930 1 232 . 1 1 18 18 ILE C C 13 176.560 0.3 . 1 . . . . 18 ILE C . 6930 1 233 . 1 1 18 18 ILE CA C 13 58.640 0.3 . 1 . . . . 18 ILE CA . 6930 1 234 . 1 1 18 18 ILE CB C 13 35.940 0.3 . 1 . . . . 18 ILE CB . 6930 1 235 . 1 1 18 18 ILE CG1 C 13 25.750 0.3 . 1 . . . . 18 ILE CG1 . 6930 1 236 . 1 1 18 18 ILE CG2 C 13 16.480 0.3 . 1 . . . . 18 ILE CG2 . 6930 1 237 . 1 1 18 18 ILE CD1 C 13 9.710 0.3 . 1 . . . . 18 ILE CD1 . 6930 1 238 . 1 1 18 18 ILE N N 15 118.790 0.3 . 1 . . . . 18 ILE N . 6930 1 239 . 1 1 19 19 LYS H H 1 8.815 0.03 . 1 . . . . 19 LYS HN . 6930 1 240 . 1 1 19 19 LYS HA H 1 4.189 0.03 . 1 . . . . 19 LYS HA . 6930 1 241 . 1 1 19 19 LYS HB2 H 1 1.851 0.03 . 2 . . . . 19 LYS HB2 . 6930 1 242 . 1 1 19 19 LYS HB3 H 1 2.050 0.03 . 2 . . . . 19 LYS HB3 . 6930 1 243 . 1 1 19 19 LYS HG2 H 1 1.608 0.03 . 2 . . . . 19 LYS HG2 . 6930 1 244 . 1 1 19 19 LYS HG3 H 1 1.695 0.03 . 2 . . . . 19 LYS HG3 . 6930 1 245 . 1 1 19 19 LYS HD2 H 1 1.790 0.03 . 1 . . . . 19 LYS HD2 . 6930 1 246 . 1 1 19 19 LYS HD3 H 1 1.790 0.03 . 1 . . . . 19 LYS HD3 . 6930 1 247 . 1 1 19 19 LYS HE2 H 1 3.076 0.03 . 1 . . . . 19 LYS HE2 . 6930 1 248 . 1 1 19 19 LYS HE3 H 1 3.076 0.03 . 1 . . . . 19 LYS HE3 . 6930 1 249 . 1 1 19 19 LYS C C 13 178.340 0.3 . 1 . . . . 19 LYS C . 6930 1 250 . 1 1 19 19 LYS CA C 13 57.250 0.3 . 1 . . . . 19 LYS CA . 6930 1 251 . 1 1 19 19 LYS CB C 13 32.800 0.3 . 1 . . . . 19 LYS CB . 6930 1 252 . 1 1 19 19 LYS CG C 13 25.500 0.3 . 1 . . . . 19 LYS CG . 6930 1 253 . 1 1 19 19 LYS CD C 13 29.370 0.3 . 1 . . . . 19 LYS CD . 6930 1 254 . 1 1 19 19 LYS CE C 13 42.080 0.3 . 1 . . . . 19 LYS CE . 6930 1 255 . 1 1 19 19 LYS N N 15 129.030 0.3 . 1 . . . . 19 LYS N . 6930 1 256 . 1 1 20 20 LYS H H 1 9.032 0.03 . 1 . . . . 20 LYS HN . 6930 1 257 . 1 1 20 20 LYS HA H 1 3.854 0.03 . 1 . . . . 20 LYS HA . 6930 1 258 . 1 1 20 20 LYS HB2 H 1 1.857 0.03 . 2 . . . . 20 LYS HB2 . 6930 1 259 . 1 1 20 20 LYS HB3 H 1 1.998 0.03 . 2 . . . . 20 LYS HB3 . 6930 1 260 . 1 1 20 20 LYS HG2 H 1 1.475 0.03 . 2 . . . . 20 LYS HG2 . 6930 1 261 . 1 1 20 20 LYS HG3 H 1 1.540 0.03 . 2 . . . . 20 LYS HG3 . 6930 1 262 . 1 1 20 20 LYS HD2 H 1 1.735 0.03 . 2 . . . . 20 LYS HD2 . 6930 1 263 . 1 1 20 20 LYS HD3 H 1 1.710 0.03 . 2 . . . . 20 LYS HD3 . 6930 1 264 . 1 1 20 20 LYS HE2 H 1 3.010 0.03 . 1 . . . . 20 LYS HE2 . 6930 1 265 . 1 1 20 20 LYS HE3 H 1 3.010 0.03 . 1 . . . . 20 LYS HE3 . 6930 1 266 . 1 1 20 20 LYS C C 13 178.390 0.3 . 1 . . . . 20 LYS C . 6930 1 267 . 1 1 20 20 LYS CA C 13 59.740 0.3 . 1 . . . . 20 LYS CA . 6930 1 268 . 1 1 20 20 LYS CB C 13 31.390 0.3 . 1 . . . . 20 LYS CB . 6930 1 269 . 1 1 20 20 LYS CG C 13 24.760 0.3 . 1 . . . . 20 LYS CG . 6930 1 270 . 1 1 20 20 LYS CD C 13 29.110 0.3 . 1 . . . . 20 LYS CD . 6930 1 271 . 1 1 20 20 LYS CE C 13 42.300 0.3 . 1 . . . . 20 LYS CE . 6930 1 272 . 1 1 20 20 LYS N N 15 123.440 0.3 . 1 . . . . 20 LYS N . 6930 1 273 . 1 1 21 21 GLU H H 1 9.341 0.03 . 1 . . . . 21 GLU HN . 6930 1 274 . 1 1 21 21 GLU HA H 1 4.074 0.03 . 1 . . . . 21 GLU HA . 6930 1 275 . 1 1 21 21 GLU HB2 H 1 2.090 0.03 . 2 . . . . 21 GLU HB2 . 6930 1 276 . 1 1 21 21 GLU HB3 H 1 2.044 0.03 . 2 . . . . 21 GLU HB3 . 6930 1 277 . 1 1 21 21 GLU HG2 H 1 2.457 0.03 . 2 . . . . 21 GLU HG2 . 6930 1 278 . 1 1 21 21 GLU HG3 H 1 2.396 0.03 . 2 . . . . 21 GLU HG3 . 6930 1 279 . 1 1 21 21 GLU C C 13 179.120 0.3 . 1 . . . . 21 GLU C . 6930 1 280 . 1 1 21 21 GLU CA C 13 60.270 0.3 . 1 . . . . 21 GLU CA . 6930 1 281 . 1 1 21 21 GLU CB C 13 28.840 0.3 . 1 . . . . 21 GLU CB . 6930 1 282 . 1 1 21 21 GLU CG C 13 36.760 0.3 . 1 . . . . 21 GLU CG . 6930 1 283 . 1 1 21 21 GLU N N 15 117.890 0.3 . 1 . . . . 21 GLU N . 6930 1 284 . 1 1 22 22 GLU H H 1 6.994 0.03 . 1 . . . . 22 GLU HN . 6930 1 285 . 1 1 22 22 GLU HA H 1 4.166 0.03 . 1 . . . . 22 GLU HA . 6930 1 286 . 1 1 22 22 GLU HB2 H 1 2.022 0.03 . 2 . . . . 22 GLU HB2 . 6930 1 287 . 1 1 22 22 GLU HB3 H 1 2.097 0.03 . 2 . . . . 22 GLU HB3 . 6930 1 288 . 1 1 22 22 GLU HG2 H 1 2.235 0.03 . 2 . . . . 22 GLU HG2 . 6930 1 289 . 1 1 22 22 GLU HG3 H 1 2.351 0.03 . 2 . . . . 22 GLU HG3 . 6930 1 290 . 1 1 22 22 GLU C C 13 178.200 0.3 . 1 . . . . 22 GLU C . 6930 1 291 . 1 1 22 22 GLU CA C 13 58.530 0.3 . 1 . . . . 22 GLU CA . 6930 1 292 . 1 1 22 22 GLU CB C 13 29.180 0.3 . 1 . . . . 22 GLU CB . 6930 1 293 . 1 1 22 22 GLU CG C 13 35.790 0.3 . 1 . . . . 22 GLU CG . 6930 1 294 . 1 1 22 22 GLU N N 15 119.810 0.3 . 1 . . . . 22 GLU N . 6930 1 295 . 1 1 23 23 LEU H H 1 8.462 0.03 . 1 . . . . 23 LEU HN . 6930 1 296 . 1 1 23 23 LEU HA H 1 3.981 0.03 . 1 . . . . 23 LEU HA . 6930 1 297 . 1 1 23 23 LEU HB2 H 1 1.518 0.03 . 2 . . . . 23 LEU HB2 . 6930 1 298 . 1 1 23 23 LEU HB3 H 1 1.805 0.03 . 2 . . . . 23 LEU HB3 . 6930 1 299 . 1 1 23 23 LEU HG H 1 1.580 0.03 . 1 . . . . 23 LEU HG . 6930 1 300 . 1 1 23 23 LEU HD11 H 1 0.873 0.03 . 2 . . . . 23 LEU HD11 . 6930 1 301 . 1 1 23 23 LEU HD12 H 1 0.873 0.03 . 2 . . . . 23 LEU HD11 . 6930 1 302 . 1 1 23 23 LEU HD13 H 1 0.873 0.03 . 2 . . . . 23 LEU HD11 . 6930 1 303 . 1 1 23 23 LEU HD21 H 1 0.973 0.03 . 2 . . . . 23 LEU HD21 . 6930 1 304 . 1 1 23 23 LEU HD22 H 1 0.973 0.03 . 2 . . . . 23 LEU HD21 . 6930 1 305 . 1 1 23 23 LEU HD23 H 1 0.973 0.03 . 2 . . . . 23 LEU HD21 . 6930 1 306 . 1 1 23 23 LEU C C 13 178.780 0.3 . 1 . . . . 23 LEU C . 6930 1 307 . 1 1 23 23 LEU CA C 13 58.840 0.3 . 1 . . . . 23 LEU CA . 6930 1 308 . 1 1 23 23 LEU CB C 13 42.420 0.3 . 1 . . . . 23 LEU CB . 6930 1 309 . 1 1 23 23 LEU CG C 13 26.870 0.3 . 1 . . . . 23 LEU CG . 6930 1 310 . 1 1 23 23 LEU CD1 C 13 25.440 0.3 . 1 . . . . 23 LEU CD1 . 6930 1 311 . 1 1 23 23 LEU CD2 C 13 24.460 0.3 . 1 . . . . 23 LEU CD2 . 6930 1 312 . 1 1 23 23 LEU N N 15 121.220 0.3 . 1 . . . . 23 LEU N . 6930 1 313 . 1 1 24 24 LYS H H 1 8.411 0.03 . 1 . . . . 24 LYS HN . 6930 1 314 . 1 1 24 24 LYS HA H 1 3.808 0.03 . 1 . . . . 24 LYS HA . 6930 1 315 . 1 1 24 24 LYS HB2 H 1 1.909 0.03 . 2 . . . . 24 LYS HB2 . 6930 1 316 . 1 1 24 24 LYS HB3 H 1 1.970 0.03 . 2 . . . . 24 LYS HB3 . 6930 1 317 . 1 1 24 24 LYS HG2 H 1 1.305 0.03 . 2 . . . . 24 LYS HG2 . 6930 1 318 . 1 1 24 24 LYS HG3 H 1 1.634 0.03 . 2 . . . . 24 LYS HG3 . 6930 1 319 . 1 1 24 24 LYS HD2 H 1 1.812 0.03 . 2 . . . . 24 LYS HD2 . 6930 1 320 . 1 1 24 24 LYS HD3 H 1 1.805 0.03 . 2 . . . . 24 LYS HD3 . 6930 1 321 . 1 1 24 24 LYS HE2 H 1 3.016 0.03 . 1 . . . . 24 LYS HE2 . 6930 1 322 . 1 1 24 24 LYS HE3 H 1 3.016 0.03 . 1 . . . . 24 LYS HE3 . 6930 1 323 . 1 1 24 24 LYS C C 13 178.200 0.3 . 1 . . . . 24 LYS C . 6930 1 324 . 1 1 24 24 LYS CA C 13 61.500 0.3 . 1 . . . . 24 LYS CA . 6930 1 325 . 1 1 24 24 LYS CB C 13 32.500 0.3 . 1 . . . . 24 LYS CB . 6930 1 326 . 1 1 24 24 LYS CG C 13 26.420 0.3 . 1 . . . . 24 LYS CG . 6930 1 327 . 1 1 24 24 LYS CD C 13 29.980 0.3 . 1 . . . . 24 LYS CD . 6930 1 328 . 1 1 24 24 LYS CE C 13 42.030 0.3 . 1 . . . . 24 LYS CE . 6930 1 329 . 1 1 24 24 LYS N N 15 116.620 0.3 . 1 . . . . 24 LYS N . 6930 1 330 . 1 1 25 25 LYS H H 1 7.592 0.03 . 1 . . . . 25 LYS HN . 6930 1 331 . 1 1 25 25 LYS HA H 1 4.181 0.03 . 1 . . . . 25 LYS HA . 6930 1 332 . 1 1 25 25 LYS HB2 H 1 2.052 0.03 . 2 . . . . 25 LYS HB2 . 6930 1 333 . 1 1 25 25 LYS HB3 H 1 2.070 0.03 . 2 . . . . 25 LYS HB3 . 6930 1 334 . 1 1 25 25 LYS HG2 H 1 1.543 0.03 . 2 . . . . 25 LYS HG2 . 6930 1 335 . 1 1 25 25 LYS HG3 H 1 1.697 0.03 . 2 . . . . 25 LYS HG3 . 6930 1 336 . 1 1 25 25 LYS HD2 H 1 1.745 0.03 . 2 . . . . 25 LYS HD2 . 6930 1 337 . 1 1 25 25 LYS HD3 H 1 1.700 0.03 . 2 . . . . 25 LYS HD3 . 6930 1 338 . 1 1 25 25 LYS HE2 H 1 2.999 0.03 . 2 . . . . 25 LYS HE2 . 6930 1 339 . 1 1 25 25 LYS HE3 H 1 3.005 0.03 . 2 . . . . 25 LYS HE3 . 6930 1 340 . 1 1 25 25 LYS C C 13 180.280 0.3 . 1 . . . . 25 LYS C . 6930 1 341 . 1 1 25 25 LYS CA C 13 60.140 0.3 . 1 . . . . 25 LYS CA . 6930 1 342 . 1 1 25 25 LYS CB C 13 32.690 0.3 . 1 . . . . 25 LYS CB . 6930 1 343 . 1 1 25 25 LYS CG C 13 25.370 0.3 . 1 . . . . 25 LYS CG . 6930 1 344 . 1 1 25 25 LYS CD C 13 29.600 0.3 . 1 . . . . 25 LYS CD . 6930 1 345 . 1 1 25 25 LYS CE C 13 42.050 0.3 . 1 . . . . 25 LYS CE . 6930 1 346 . 1 1 25 25 LYS N N 15 118.830 0.3 . 1 . . . . 25 LYS N . 6930 1 347 . 1 1 26 26 SER H H 1 8.845 0.03 . 1 . . . . 26 SER HN . 6930 1 348 . 1 1 26 26 SER HA H 1 4.570 0.03 . 1 . . . . 26 SER HA . 6930 1 349 . 1 1 26 26 SER HB2 H 1 4.369 0.03 . 1 . . . . 26 SER HB2 . 6930 1 350 . 1 1 26 26 SER HB3 H 1 4.369 0.03 . 1 . . . . 26 SER HB3 . 6930 1 351 . 1 1 26 26 SER C C 13 176.880 0.3 . 1 . . . . 26 SER C . 6930 1 352 . 1 1 26 26 SER CA C 13 62.210 0.3 . 1 . . . . 26 SER CA . 6930 1 353 . 1 1 26 26 SER CB C 13 63.320 0.3 . 1 . . . . 26 SER CB . 6930 1 354 . 1 1 26 26 SER N N 15 117.880 0.3 . 1 . . . . 26 SER N . 6930 1 355 . 1 1 27 27 LEU H H 1 9.040 0.03 . 1 . . . . 27 LEU HN . 6930 1 356 . 1 1 27 27 LEU HA H 1 4.190 0.03 . 1 . . . . 27 LEU HA . 6930 1 357 . 1 1 27 27 LEU HB2 H 1 1.167 0.03 . 2 . . . . 27 LEU HB2 . 6930 1 358 . 1 1 27 27 LEU HB3 H 1 2.298 0.03 . 2 . . . . 27 LEU HB3 . 6930 1 359 . 1 1 27 27 LEU HG H 1 2.097 0.03 . 1 . . . . 27 LEU HG . 6930 1 360 . 1 1 27 27 LEU HD11 H 1 0.574 0.03 . 2 . . . . 27 LEU HD11 . 6930 1 361 . 1 1 27 27 LEU HD12 H 1 0.574 0.03 . 2 . . . . 27 LEU HD11 . 6930 1 362 . 1 1 27 27 LEU HD13 H 1 0.574 0.03 . 2 . . . . 27 LEU HD11 . 6930 1 363 . 1 1 27 27 LEU HD21 H 1 0.594 0.03 . 2 . . . . 27 LEU HD21 . 6930 1 364 . 1 1 27 27 LEU HD22 H 1 0.594 0.03 . 2 . . . . 27 LEU HD21 . 6930 1 365 . 1 1 27 27 LEU HD23 H 1 0.594 0.03 . 2 . . . . 27 LEU HD21 . 6930 1 366 . 1 1 27 27 LEU C C 13 179.100 0.3 . 1 . . . . 27 LEU C . 6930 1 367 . 1 1 27 27 LEU CA C 13 57.960 0.3 . 1 . . . . 27 LEU CA . 6930 1 368 . 1 1 27 27 LEU CB C 13 43.030 0.3 . 1 . . . . 27 LEU CB . 6930 1 369 . 1 1 27 27 LEU CG C 13 26.600 0.3 . 1 . . . . 27 LEU CG . 6930 1 370 . 1 1 27 27 LEU CD1 C 13 26.430 0.3 . 1 . . . . 27 LEU CD1 . 6930 1 371 . 1 1 27 27 LEU CD2 C 13 24.480 0.3 . 1 . . . . 27 LEU CD2 . 6930 1 372 . 1 1 27 27 LEU N N 15 122.840 0.3 . 1 . . . . 27 LEU N . 6930 1 373 . 1 1 28 28 TYR H H 1 8.535 0.03 . 1 . . . . 28 TYR HN . 6930 1 374 . 1 1 28 28 TYR HA H 1 3.826 0.03 . 1 . . . . 28 TYR HA . 6930 1 375 . 1 1 28 28 TYR HB2 H 1 3.169 0.03 . 2 . . . . 28 TYR HB2 . 6930 1 376 . 1 1 28 28 TYR HB3 H 1 3.235 0.03 . 2 . . . . 28 TYR HB3 . 6930 1 377 . 1 1 28 28 TYR HD1 H 1 7.074 0.03 . 3 . . . . 28 TYR HD1 . 6930 1 378 . 1 1 28 28 TYR HE1 H 1 6.827 0.03 . 3 . . . . 28 TYR HE1 . 6930 1 379 . 1 1 28 28 TYR C C 13 178.360 0.3 . 1 . . . . 28 TYR C . 6930 1 380 . 1 1 28 28 TYR CA C 13 63.220 0.3 . 1 . . . . 28 TYR CA . 6930 1 381 . 1 1 28 28 TYR CB C 13 38.320 0.3 . 1 . . . . 28 TYR CB . 6930 1 382 . 1 1 28 28 TYR CD1 C 13 133.230 0.3 . 3 . . . . 28 TYR CD1 . 6930 1 383 . 1 1 28 28 TYR CE1 C 13 117.530 0.3 . 3 . . . . 28 TYR CE1 . 6930 1 384 . 1 1 28 28 TYR N N 15 121.030 0.3 . 1 . . . . 28 TYR N . 6930 1 385 . 1 1 29 29 ALA H H 1 8.009 0.03 . 1 . . . . 29 ALA HN . 6930 1 386 . 1 1 29 29 ALA HA H 1 3.364 0.03 . 1 . . . . 29 ALA HA . 6930 1 387 . 1 1 29 29 ALA HB1 H 1 1.683 0.03 . 1 . . . . 29 ALA HB1 . 6930 1 388 . 1 1 29 29 ALA HB2 H 1 1.683 0.03 . 1 . . . . 29 ALA HB1 . 6930 1 389 . 1 1 29 29 ALA HB3 H 1 1.683 0.03 . 1 . . . . 29 ALA HB1 . 6930 1 390 . 1 1 29 29 ALA CA C 13 55.420 0.3 . 1 . . . . 29 ALA CA . 6930 1 391 . 1 1 29 29 ALA CB C 13 18.920 0.3 . 1 . . . . 29 ALA CB . 6930 1 392 . 1 1 29 29 ALA N N 15 120.570 0.3 . 1 . . . . 29 ALA N . 6930 1 393 . 1 1 30 30 ILE HA H 1 4.048 0.03 . 1 . . . . 30 ILE HA . 6930 1 394 . 1 1 30 30 ILE HB H 1 1.539 0.03 . 1 . . . . 30 ILE HB . 6930 1 395 . 1 1 30 30 ILE HG12 H 1 1.344 0.03 . 1 . . . . 30 ILE HG11 . 6930 1 396 . 1 1 30 30 ILE HG13 H 1 1.117 0.03 . 1 . . . . 30 ILE HG12 . 6930 1 397 . 1 1 30 30 ILE HG21 H 1 0.354 0.03 . 1 . . . . 30 ILE HG21 . 6930 1 398 . 1 1 30 30 ILE HG22 H 1 0.354 0.03 . 1 . . . . 30 ILE HG21 . 6930 1 399 . 1 1 30 30 ILE HG23 H 1 0.354 0.03 . 1 . . . . 30 ILE HG21 . 6930 1 400 . 1 1 30 30 ILE HD11 H 1 0.514 0.03 . 1 . . . . 30 ILE HD11 . 6930 1 401 . 1 1 30 30 ILE HD12 H 1 0.514 0.03 . 1 . . . . 30 ILE HD11 . 6930 1 402 . 1 1 30 30 ILE HD13 H 1 0.514 0.03 . 1 . . . . 30 ILE HD11 . 6930 1 403 . 1 1 30 30 ILE C C 13 177.270 0.3 . 1 . . . . 30 ILE C . 6930 1 404 . 1 1 30 30 ILE CA C 13 63.380 0.3 . 1 . . . . 30 ILE CA . 6930 1 405 . 1 1 30 30 ILE CB C 13 38.850 0.3 . 1 . . . . 30 ILE CB . 6930 1 406 . 1 1 30 30 ILE CG1 C 13 27.890 0.3 . 1 . . . . 30 ILE CG1 . 6930 1 407 . 1 1 30 30 ILE CG2 C 13 17.370 0.3 . 1 . . . . 30 ILE CG2 . 6930 1 408 . 1 1 30 30 ILE CD1 C 13 14.180 0.3 . 1 . . . . 30 ILE CD1 . 6930 1 409 . 1 1 31 31 PHE H H 1 8.446 0.03 . 1 . . . . 31 PHE HN . 6930 1 410 . 1 1 31 31 PHE HA H 1 4.900 0.03 . 1 . . . . 31 PHE HA . 6930 1 411 . 1 1 31 31 PHE HB2 H 1 3.439 0.03 . 2 . . . . 31 PHE HB2 . 6930 1 412 . 1 1 31 31 PHE HB3 H 1 2.897 0.03 . 2 . . . . 31 PHE HB3 . 6930 1 413 . 1 1 31 31 PHE HD1 H 1 7.565 0.03 . 3 . . . . 31 PHE HD1 . 6930 1 414 . 1 1 31 31 PHE HE1 H 1 6.827 0.03 . 3 . . . . 31 PHE HE1 . 6930 1 415 . 1 1 31 31 PHE C C 13 177.820 0.3 . 1 . . . . 31 PHE C . 6930 1 416 . 1 1 31 31 PHE CA C 13 62.380 0.3 . 1 . . . . 31 PHE CA . 6930 1 417 . 1 1 31 31 PHE CB C 13 38.900 0.3 . 1 . . . . 31 PHE CB . 6930 1 418 . 1 1 31 31 PHE N N 15 115.770 0.3 . 1 . . . . 31 PHE N . 6930 1 419 . 1 1 32 32 SER H H 1 8.392 0.03 . 1 . . . . 32 SER HN . 6930 1 420 . 1 1 32 32 SER HA H 1 4.365 0.03 . 1 . . . . 32 SER HA . 6930 1 421 . 1 1 32 32 SER HB2 H 1 3.560 0.03 . 2 . . . . 32 SER HB2 . 6930 1 422 . 1 1 32 32 SER HB3 H 1 3.868 0.03 . 2 . . . . 32 SER HB3 . 6930 1 423 . 1 1 32 32 SER C C 13 176.140 0.3 . 1 . . . . 32 SER C . 6930 1 424 . 1 1 32 32 SER CA C 13 61.680 0.3 . 1 . . . . 32 SER CA . 6930 1 425 . 1 1 32 32 SER CB C 13 62.460 0.3 . 1 . . . . 32 SER CB . 6930 1 426 . 1 1 32 32 SER N N 15 116.890 0.3 . 1 . . . . 32 SER N . 6930 1 427 . 1 1 33 33 GLN H H 1 7.310 0.03 . 1 . . . . 33 GLN HN . 6930 1 428 . 1 1 33 33 GLN HA H 1 4.059 0.03 . 1 . . . . 33 GLN HA . 6930 1 429 . 1 1 33 33 GLN HB2 H 1 1.589 0.03 . 2 . . . . 33 GLN HB2 . 6930 1 430 . 1 1 33 33 GLN HB3 H 1 1.617 0.03 . 2 . . . . 33 GLN HB3 . 6930 1 431 . 1 1 33 33 GLN HG2 H 1 1.791 0.03 . 2 . . . . 33 GLN HG2 . 6930 1 432 . 1 1 33 33 GLN HG3 H 1 1.786 0.03 . 2 . . . . 33 GLN HG3 . 6930 1 433 . 1 1 33 33 GLN HE21 H 1 7.131 0.03 . 2 . . . . 33 GLN HE21 . 6930 1 434 . 1 1 33 33 GLN HE22 H 1 7.484 0.03 . 2 . . . . 33 GLN HE22 . 6930 1 435 . 1 1 33 33 GLN C C 13 176.330 0.3 . 1 . . . . 33 GLN C . 6930 1 436 . 1 1 33 33 GLN CA C 13 57.220 0.3 . 1 . . . . 33 GLN CA . 6930 1 437 . 1 1 33 33 GLN CB C 13 28.040 0.3 . 1 . . . . 33 GLN CB . 6930 1 438 . 1 1 33 33 GLN CG C 13 32.460 0.3 . 1 . . . . 33 GLN CG . 6930 1 439 . 1 1 33 33 GLN N N 15 117.530 0.3 . 1 . . . . 33 GLN N . 6930 1 440 . 1 1 33 33 GLN NE2 N 15 113.760 0.3 . 1 . . . . 33 GLN NE2 . 6930 1 441 . 1 1 34 34 PHE H H 1 7.626 0.03 . 1 . . . . 34 PHE HN . 6930 1 442 . 1 1 34 34 PHE HA H 1 4.435 0.03 . 1 . . . . 34 PHE HA . 6930 1 443 . 1 1 34 34 PHE HB2 H 1 2.949 0.03 . 2 . . . . 34 PHE HB2 . 6930 1 444 . 1 1 34 34 PHE HB3 H 1 3.400 0.03 . 2 . . . . 34 PHE HB3 . 6930 1 445 . 1 1 34 34 PHE HD1 H 1 7.624 0.03 . 3 . . . . 34 PHE HD1 . 6930 1 446 . 1 1 34 34 PHE HE1 H 1 7.119 0.03 . 3 . . . . 34 PHE HE1 . 6930 1 447 . 1 1 34 34 PHE C C 13 175.590 0.3 . 1 . . . . 34 PHE C . 6930 1 448 . 1 1 34 34 PHE CA C 13 59.410 0.3 . 1 . . . . 34 PHE CA . 6930 1 449 . 1 1 34 34 PHE CB C 13 39.380 0.3 . 1 . . . . 34 PHE CB . 6930 1 450 . 1 1 34 34 PHE CD1 C 13 132.960 0.3 . 3 . . . . 34 PHE CD1 . 6930 1 451 . 1 1 34 34 PHE CE1 C 13 131.10 0.3 . 3 . . . . 34 PHE CE1 . 6930 1 452 . 1 1 34 34 PHE N N 15 116.090 0.3 . 1 . . . . 34 PHE N . 6930 1 453 . 1 1 35 35 GLY H H 1 7.595 0.03 . 1 . . . . 35 GLY HN . 6930 1 454 . 1 1 35 35 GLY HA2 H 1 3.960 0.03 . 2 . . . . 35 GLY HA2 . 6930 1 455 . 1 1 35 35 GLY HA3 H 1 4.612 0.03 . 2 . . . . 35 GLY HA3 . 6930 1 456 . 1 1 35 35 GLY C C 13 170.890 0.3 . 1 . . . . 35 GLY C . 6930 1 457 . 1 1 35 35 GLY CA C 13 44.160 0.3 . 1 . . . . 35 GLY CA . 6930 1 458 . 1 1 35 35 GLY N N 15 107.470 0.3 . 1 . . . . 35 GLY N . 6930 1 459 . 1 1 36 36 GLN H H 1 8.404 0.03 . 1 . . . . 36 GLN HN . 6930 1 460 . 1 1 36 36 GLN HA H 1 4.275 0.03 . 1 . . . . 36 GLN HA . 6930 1 461 . 1 1 36 36 GLN HB2 H 1 2.134 0.03 . 2 . . . . 36 GLN HB2 . 6930 1 462 . 1 1 36 36 GLN HB3 H 1 1.970 0.03 . 2 . . . . 36 GLN HB3 . 6930 1 463 . 1 1 36 36 GLN HG2 H 1 2.522 0.03 . 2 . . . . 36 GLN HG2 . 6930 1 464 . 1 1 36 36 GLN HG3 H 1 2.237 0.03 . 2 . . . . 36 GLN HG3 . 6930 1 465 . 1 1 36 36 GLN HE21 H 1 7.664 0.03 . 2 . . . . 36 GLN HE21 . 6930 1 466 . 1 1 36 36 GLN HE22 H 1 6.996 0.03 . 2 . . . . 36 GLN HE22 . 6930 1 467 . 1 1 36 36 GLN C C 13 176.650 0.3 . 1 . . . . 36 GLN C . 6930 1 468 . 1 1 36 36 GLN CA C 13 57.180 0.3 . 1 . . . . 36 GLN CA . 6930 1 469 . 1 1 36 36 GLN CB C 13 29.360 0.3 . 1 . . . . 36 GLN CB . 6930 1 470 . 1 1 36 36 GLN CG C 13 33.670 0.3 . 1 . . . . 36 GLN CG . 6930 1 471 . 1 1 36 36 GLN N N 15 116.620 0.3 . 1 . . . . 36 GLN N . 6930 1 472 . 1 1 36 36 GLN NE2 N 15 111.960 0.3 . 1 . . . . 36 GLN NE2 . 6930 1 473 . 1 1 37 37 ILE H H 1 9.009 0.03 . 1 . . . . 37 ILE HN . 6930 1 474 . 1 1 37 37 ILE HA H 1 4.068 0.03 . 1 . . . . 37 ILE HA . 6930 1 475 . 1 1 37 37 ILE HB H 1 1.673 0.03 . 1 . . . . 37 ILE HB . 6930 1 476 . 1 1 37 37 ILE HG12 H 1 1.765 0.03 . 1 . . . . 37 ILE HG11 . 6930 1 477 . 1 1 37 37 ILE HG13 H 1 0.044 0.03 . 1 . . . . 37 ILE HG12 . 6930 1 478 . 1 1 37 37 ILE HG21 H 1 0.551 0.03 . 1 . . . . 37 ILE HG21 . 6930 1 479 . 1 1 37 37 ILE HG22 H 1 0.551 0.03 . 1 . . . . 37 ILE HG21 . 6930 1 480 . 1 1 37 37 ILE HG23 H 1 0.551 0.03 . 1 . . . . 37 ILE HG21 . 6930 1 481 . 1 1 37 37 ILE HD11 H 1 0.420 0.03 . 1 . . . . 37 ILE HD11 . 6930 1 482 . 1 1 37 37 ILE HD12 H 1 0.420 0.03 . 1 . . . . 37 ILE HD11 . 6930 1 483 . 1 1 37 37 ILE HD13 H 1 0.420 0.03 . 1 . . . . 37 ILE HD11 . 6930 1 484 . 1 1 37 37 ILE C C 13 176.530 0.3 . 1 . . . . 37 ILE C . 6930 1 485 . 1 1 37 37 ILE CA C 13 61.270 0.3 . 1 . . . . 37 ILE CA . 6930 1 486 . 1 1 37 37 ILE CB C 13 40.600 0.3 . 1 . . . . 37 ILE CB . 6930 1 487 . 1 1 37 37 ILE CG1 C 13 28.720 0.3 . 1 . . . . 37 ILE CG1 . 6930 1 488 . 1 1 37 37 ILE CG2 C 13 17.610 0.3 . 1 . . . . 37 ILE CG2 . 6930 1 489 . 1 1 37 37 ILE CD1 C 13 13.910 0.3 . 1 . . . . 37 ILE CD1 . 6930 1 490 . 1 1 37 37 ILE N N 15 129.370 0.3 . 1 . . . . 37 ILE N . 6930 1 491 . 1 1 38 38 LEU H H 1 9.472 0.03 . 1 . . . . 38 LEU HN . 6930 1 492 . 1 1 38 38 LEU HA H 1 4.291 0.03 . 1 . . . . 38 LEU HA . 6930 1 493 . 1 1 38 38 LEU HB2 H 1 1.352 0.03 . 2 . . . . 38 LEU HB2 . 6930 1 494 . 1 1 38 38 LEU HB3 H 1 1.426 0.03 . 2 . . . . 38 LEU HB3 . 6930 1 495 . 1 1 38 38 LEU HG H 1 1.329 0.03 . 1 . . . . 38 LEU HG . 6930 1 496 . 1 1 38 38 LEU HD11 H 1 0.797 0.03 . 2 . . . . 38 LEU HD11 . 6930 1 497 . 1 1 38 38 LEU HD12 H 1 0.797 0.03 . 2 . . . . 38 LEU HD11 . 6930 1 498 . 1 1 38 38 LEU HD13 H 1 0.797 0.03 . 2 . . . . 38 LEU HD11 . 6930 1 499 . 1 1 38 38 LEU HD21 H 1 0.733 0.03 . 2 . . . . 38 LEU HD21 . 6930 1 500 . 1 1 38 38 LEU HD22 H 1 0.733 0.03 . 2 . . . . 38 LEU HD21 . 6930 1 501 . 1 1 38 38 LEU HD23 H 1 0.733 0.03 . 2 . . . . 38 LEU HD21 . 6930 1 502 . 1 1 38 38 LEU C C 13 176.900 0.3 . 1 . . . . 38 LEU C . 6930 1 503 . 1 1 38 38 LEU CA C 13 56.520 0.3 . 1 . . . . 38 LEU CA . 6930 1 504 . 1 1 38 38 LEU CB C 13 42.030 0.3 . 1 . . . . 38 LEU CB . 6930 1 505 . 1 1 38 38 LEU CG C 13 26.830 0.3 . 1 . . . . 38 LEU CG . 6930 1 506 . 1 1 38 38 LEU CD1 C 13 25.420 0.3 . 1 . . . . 38 LEU CD1 . 6930 1 507 . 1 1 38 38 LEU CD2 C 13 22.440 0.3 . 1 . . . . 38 LEU CD2 . 6930 1 508 . 1 1 38 38 LEU N N 15 128.180 0.3 . 1 . . . . 38 LEU N . 6930 1 509 . 1 1 39 39 ASP H H 1 7.493 0.03 . 1 . . . . 39 ASP HN . 6930 1 510 . 1 1 39 39 ASP HA H 1 4.715 0.03 . 1 . . . . 39 ASP HA . 6930 1 511 . 1 1 39 39 ASP HB2 H 1 2.223 0.03 . 2 . . . . 39 ASP HB2 . 6930 1 512 . 1 1 39 39 ASP HB3 H 1 2.725 0.03 . 2 . . . . 39 ASP HB3 . 6930 1 513 . 1 1 39 39 ASP C C 13 173.560 0.3 . 1 . . . . 39 ASP C . 6930 1 514 . 1 1 39 39 ASP CA C 13 53.510 0.3 . 1 . . . . 39 ASP CA . 6930 1 515 . 1 1 39 39 ASP CB C 13 44.160 0.3 . 1 . . . . 39 ASP CB . 6930 1 516 . 1 1 39 39 ASP N N 15 114.640 0.3 . 1 . . . . 39 ASP N . 6930 1 517 . 1 1 40 40 ILE H H 1 8.537 0.03 . 1 . . . . 40 ILE HN . 6930 1 518 . 1 1 40 40 ILE HA H 1 4.722 0.03 . 1 . . . . 40 ILE HA . 6930 1 519 . 1 1 40 40 ILE HB H 1 1.593 0.03 . 1 . . . . 40 ILE HB . 6930 1 520 . 1 1 40 40 ILE HG12 H 1 1.571 0.03 . 1 . . . . 40 ILE HG11 . 6930 1 521 . 1 1 40 40 ILE HG13 H 1 1.553 0.03 . 1 . . . . 40 ILE HG12 . 6930 1 522 . 1 1 40 40 ILE HG21 H 1 0.726 0.03 . 1 . . . . 40 ILE HG21 . 6930 1 523 . 1 1 40 40 ILE HG22 H 1 0.726 0.03 . 1 . . . . 40 ILE HG21 . 6930 1 524 . 1 1 40 40 ILE HG23 H 1 0.726 0.03 . 1 . . . . 40 ILE HG21 . 6930 1 525 . 1 1 40 40 ILE HD11 H 1 0.717 0.03 . 1 . . . . 40 ILE HD11 . 6930 1 526 . 1 1 40 40 ILE HD12 H 1 0.717 0.03 . 1 . . . . 40 ILE HD11 . 6930 1 527 . 1 1 40 40 ILE HD13 H 1 0.717 0.03 . 1 . . . . 40 ILE HD11 . 6930 1 528 . 1 1 40 40 ILE C C 13 174.090 0.3 . 1 . . . . 40 ILE C . 6930 1 529 . 1 1 40 40 ILE CA C 13 61.060 0.3 . 1 . . . . 40 ILE CA . 6930 1 530 . 1 1 40 40 ILE CB C 13 41.220 0.3 . 1 . . . . 40 ILE CB . 6930 1 531 . 1 1 40 40 ILE CG1 C 13 28.300 0.3 . 1 . . . . 40 ILE CG1 . 6930 1 532 . 1 1 40 40 ILE CG2 C 13 16.530 0.3 . 1 . . . . 40 ILE CG2 . 6930 1 533 . 1 1 40 40 ILE CD1 C 13 13.870 0.3 . 1 . . . . 40 ILE CD1 . 6930 1 534 . 1 1 40 40 ILE N N 15 119.670 0.3 . 1 . . . . 40 ILE N . 6930 1 535 . 1 1 41 41 VAL H H 1 8.807 0.03 . 1 . . . . 41 VAL HN . 6930 1 536 . 1 1 41 41 VAL HA H 1 4.195 0.03 . 1 . . . . 41 VAL HA . 6930 1 537 . 1 1 41 41 VAL HB H 1 1.588 0.03 . 1 . . . . 41 VAL HB . 6930 1 538 . 1 1 41 41 VAL HG11 H 1 0.732 0.03 . 2 . . . . 41 VAL HG11 . 6930 1 539 . 1 1 41 41 VAL HG12 H 1 0.732 0.03 . 2 . . . . 41 VAL HG11 . 6930 1 540 . 1 1 41 41 VAL HG13 H 1 0.732 0.03 . 2 . . . . 41 VAL HG11 . 6930 1 541 . 1 1 41 41 VAL HG21 H 1 0.847 0.03 . 2 . . . . 41 VAL HG21 . 6930 1 542 . 1 1 41 41 VAL HG22 H 1 0.847 0.03 . 2 . . . . 41 VAL HG21 . 6930 1 543 . 1 1 41 41 VAL HG23 H 1 0.847 0.03 . 2 . . . . 41 VAL HG21 . 6930 1 544 . 1 1 41 41 VAL C C 13 174.470 0.3 . 1 . . . . 41 VAL C . 6930 1 545 . 1 1 41 41 VAL CA C 13 61.020 0.3 . 1 . . . . 41 VAL CA . 6930 1 546 . 1 1 41 41 VAL CB C 13 34.160 0.3 . 1 . . . . 41 VAL CB . 6930 1 547 . 1 1 41 41 VAL CG1 C 13 20.400 0.3 . 1 . . . . 41 VAL CG1 . 6930 1 548 . 1 1 41 41 VAL CG2 C 13 20.930 0.3 . 1 . . . . 41 VAL CG2 . 6930 1 549 . 1 1 41 41 VAL N N 15 127.000 0.3 . 1 . . . . 41 VAL N . 6930 1 550 . 1 1 42 42 ALA H H 1 8.708 0.03 . 1 . . . . 42 ALA HN . 6930 1 551 . 1 1 42 42 ALA HA H 1 4.796 0.03 . 1 . . . . 42 ALA HA . 6930 1 552 . 1 1 42 42 ALA HB1 H 1 1.239 0.03 . 1 . . . . 42 ALA HB1 . 6930 1 553 . 1 1 42 42 ALA HB2 H 1 1.239 0.03 . 1 . . . . 42 ALA HB1 . 6930 1 554 . 1 1 42 42 ALA HB3 H 1 1.239 0.03 . 1 . . . . 42 ALA HB1 . 6930 1 555 . 1 1 42 42 ALA C C 13 175.210 0.3 . 1 . . . . 42 ALA C . 6930 1 556 . 1 1 42 42 ALA CA C 13 51.430 0.3 . 1 . . . . 42 ALA CA . 6930 1 557 . 1 1 42 42 ALA CB C 13 19.780 0.3 . 1 . . . . 42 ALA CB . 6930 1 558 . 1 1 42 42 ALA N N 15 130.100 0.3 . 1 . . . . 42 ALA N . 6930 1 559 . 1 1 43 43 LEU H H 1 8.224 0.03 . 1 . . . . 43 LEU HN . 6930 1 560 . 1 1 43 43 LEU HA H 1 4.575 0.03 . 1 . . . . 43 LEU HA . 6930 1 561 . 1 1 43 43 LEU HB2 H 1 1.622 0.03 . 2 . . . . 43 LEU HB2 . 6930 1 562 . 1 1 43 43 LEU HB3 H 1 1.696 0.03 . 2 . . . . 43 LEU HB3 . 6930 1 563 . 1 1 43 43 LEU HG H 1 1.618 0.03 . 1 . . . . 43 LEU HG . 6930 1 564 . 1 1 43 43 LEU HD11 H 1 0.905 0.03 . 2 . . . . 43 LEU HD11 . 6930 1 565 . 1 1 43 43 LEU HD12 H 1 0.905 0.03 . 2 . . . . 43 LEU HD11 . 6930 1 566 . 1 1 43 43 LEU HD13 H 1 0.905 0.03 . 2 . . . . 43 LEU HD11 . 6930 1 567 . 1 1 43 43 LEU HD21 H 1 0.919 0.03 . 2 . . . . 43 LEU HD21 . 6930 1 568 . 1 1 43 43 LEU HD22 H 1 0.919 0.03 . 2 . . . . 43 LEU HD21 . 6930 1 569 . 1 1 43 43 LEU HD23 H 1 0.919 0.03 . 2 . . . . 43 LEU HD21 . 6930 1 570 . 1 1 43 43 LEU CA C 13 54.620 0.3 . 1 . . . . 43 LEU CA . 6930 1 571 . 1 1 43 43 LEU CB C 13 43.640 0.3 . 1 . . . . 43 LEU CB . 6930 1 572 . 1 1 43 43 LEU CG C 13 27.180 0.3 . 1 . . . . 43 LEU CG . 6930 1 573 . 1 1 43 43 LEU CD1 C 13 25.500 0.3 . 1 . . . . 43 LEU CD1 . 6930 1 574 . 1 1 43 43 LEU CD2 C 13 23.500 0.3 . 1 . . . . 43 LEU CD2 . 6930 1 575 . 1 1 43 43 LEU N N 15 122.270 0.3 . 1 . . . . 43 LEU N . 6930 1 576 . 1 1 44 44 LYS HA H 1 4.570 0.03 . 1 . . . . 44 LYS HA . 6930 1 577 . 1 1 44 44 LYS HB2 H 1 1.705 0.03 . 2 . . . . 44 LYS HB2 . 6930 1 578 . 1 1 44 44 LYS HB3 H 1 1.986 0.03 . 2 . . . . 44 LYS HB3 . 6930 1 579 . 1 1 44 44 LYS HG2 H 1 1.479 0.03 . 2 . . . . 44 LYS HG2 . 6930 1 580 . 1 1 44 44 LYS HG3 H 1 1.443 0.03 . 2 . . . . 44 LYS HG3 . 6930 1 581 . 1 1 44 44 LYS HD2 H 1 1.749 0.03 . 1 . . . . 44 LYS HD2 . 6930 1 582 . 1 1 44 44 LYS HD3 H 1 1.749 0.03 . 1 . . . . 44 LYS HD3 . 6930 1 583 . 1 1 44 44 LYS HE2 H 1 2.975 0.03 . 1 . . . . 44 LYS HE2 . 6930 1 584 . 1 1 44 44 LYS HE3 H 1 2.975 0.03 . 1 . . . . 44 LYS HE3 . 6930 1 585 . 1 1 44 44 LYS CA C 13 56.000 0.3 . 1 . . . . 44 LYS CA . 6930 1 586 . 1 1 44 44 LYS CB C 13 32.940 0.3 . 1 . . . . 44 LYS CB . 6930 1 587 . 1 1 44 44 LYS CG C 13 25.220 0.3 . 1 . . . . 44 LYS CG . 6930 1 588 . 1 1 44 44 LYS CD C 13 29.550 0.3 . 1 . . . . 44 LYS CD . 6930 1 589 . 1 1 44 44 LYS CE C 13 42.070 0.3 . 1 . . . . 44 LYS CE . 6930 1 590 . 1 1 45 45 THR H H 1 7.706 0.03 . 1 . . . . 45 THR HN . 6930 1 591 . 1 1 45 45 THR HA H 1 4.494 0.03 . 1 . . . . 45 THR HA . 6930 1 592 . 1 1 45 45 THR HB H 1 4.422 0.03 . 1 . . . . 45 THR HB . 6930 1 593 . 1 1 45 45 THR HG21 H 1 1.222 0.03 . 1 . . . . 45 THR HG21 . 6930 1 594 . 1 1 45 45 THR HG22 H 1 1.222 0.03 . 1 . . . . 45 THR HG21 . 6930 1 595 . 1 1 45 45 THR HG23 H 1 1.222 0.03 . 1 . . . . 45 THR HG21 . 6930 1 596 . 1 1 45 45 THR CA C 13 60.500 0.3 . 1 . . . . 45 THR CA . 6930 1 597 . 1 1 45 45 THR CB C 13 70.450 0.3 . 1 . . . . 45 THR CB . 6930 1 598 . 1 1 45 45 THR CG2 C 13 22.130 0.3 . 1 . . . . 45 THR CG2 . 6930 1 599 . 1 1 45 45 THR N N 15 113.650 0.3 . 1 . . . . 45 THR N . 6930 1 600 . 1 1 46 46 LEU HA H 1 4.142 0.03 . 1 . . . . 46 LEU HA . 6930 1 601 . 1 1 46 46 LEU HB2 H 1 1.661 0.03 . 2 . . . . 46 LEU HB2 . 6930 1 602 . 1 1 46 46 LEU HB3 H 1 1.760 0.03 . 2 . . . . 46 LEU HB3 . 6930 1 603 . 1 1 46 46 LEU HG H 1 1.675 0.03 . 1 . . . . 46 LEU HG . 6930 1 604 . 1 1 46 46 LEU HD11 H 1 0.964 0.03 . 2 . . . . 46 LEU HD11 . 6930 1 605 . 1 1 46 46 LEU HD12 H 1 0.964 0.03 . 2 . . . . 46 LEU HD11 . 6930 1 606 . 1 1 46 46 LEU HD13 H 1 0.964 0.03 . 2 . . . . 46 LEU HD11 . 6930 1 607 . 1 1 46 46 LEU HD21 H 1 0.922 0.03 . 2 . . . . 46 LEU HD21 . 6930 1 608 . 1 1 46 46 LEU HD22 H 1 0.922 0.03 . 2 . . . . 46 LEU HD21 . 6930 1 609 . 1 1 46 46 LEU HD23 H 1 0.922 0.03 . 2 . . . . 46 LEU HD21 . 6930 1 610 . 1 1 46 46 LEU C C 13 179.030 0.3 . 1 . . . . 46 LEU C . 6930 1 611 . 1 1 46 46 LEU CA C 13 57.630 0.3 . 1 . . . . 46 LEU CA . 6930 1 612 . 1 1 46 46 LEU CB C 13 42.020 0.3 . 1 . . . . 46 LEU CB . 6930 1 613 . 1 1 46 46 LEU CG C 13 27.100 0.3 . 1 . . . . 46 LEU CG . 6930 1 614 . 1 1 46 46 LEU CD1 C 13 24.400 0.3 . 1 . . . . 46 LEU CD1 . 6930 1 615 . 1 1 46 46 LEU CD2 C 13 24.100 0.3 . 1 . . . . 46 LEU CD2 . 6930 1 616 . 1 1 47 47 LYS H H 1 8.325 0.03 . 1 . . . . 47 LYS HN . 6930 1 617 . 1 1 47 47 LYS HA H 1 4.139 0.03 . 1 . . . . 47 LYS HA . 6930 1 618 . 1 1 47 47 LYS HB2 H 1 1.910 0.03 . 2 . . . . 47 LYS HB2 . 6930 1 619 . 1 1 47 47 LYS HB3 H 1 1.837 0.03 . 2 . . . . 47 LYS HB3 . 6930 1 620 . 1 1 47 47 LYS HG2 H 1 1.547 0.03 . 2 . . . . 47 LYS HG2 . 6930 1 621 . 1 1 47 47 LYS HG3 H 1 1.372 0.03 . 2 . . . . 47 LYS HG3 . 6930 1 622 . 1 1 47 47 LYS HD2 H 1 1.585 0.03 . 1 . . . . 47 LYS HD2 . 6930 1 623 . 1 1 47 47 LYS HD3 H 1 1.585 0.03 . 1 . . . . 47 LYS HD3 . 6930 1 624 . 1 1 47 47 LYS HE2 H 1 2.789 0.03 . 1 . . . . 47 LYS HE2 . 6930 1 625 . 1 1 47 47 LYS HE3 H 1 2.789 0.03 . 1 . . . . 47 LYS HE3 . 6930 1 626 . 1 1 47 47 LYS C C 13 176.700 0.3 . 1 . . . . 47 LYS C . 6930 1 627 . 1 1 47 47 LYS CA C 13 57.800 0.3 . 1 . . . . 47 LYS CA . 6930 1 628 . 1 1 47 47 LYS CB C 13 32.440 0.3 . 1 . . . . 47 LYS CB . 6930 1 629 . 1 1 47 47 LYS CG C 13 25.300 0.3 . 1 . . . . 47 LYS CG . 6930 1 630 . 1 1 47 47 LYS CD C 13 29.260 0.3 . 1 . . . . 47 LYS CD . 6930 1 631 . 1 1 47 47 LYS CE C 13 42.060 0.3 . 1 . . . . 47 LYS CE . 6930 1 632 . 1 1 47 47 LYS N N 15 116.870 0.3 . 1 . . . . 47 LYS N . 6930 1 633 . 1 1 48 48 MET H H 1 7.649 0.03 . 1 . . . . 48 MET HN . 6930 1 634 . 1 1 48 48 MET HA H 1 4.581 0.03 . 1 . . . . 48 MET HA . 6930 1 635 . 1 1 48 48 MET HB2 H 1 1.970 0.03 . 1 . . . . 48 MET HB2 . 6930 1 636 . 1 1 48 48 MET HB3 H 1 1.970 0.03 . 1 . . . . 48 MET HB3 . 6930 1 637 . 1 1 48 48 MET HG2 H 1 2.584 0.03 . 2 . . . . 48 MET HG2 . 6930 1 638 . 1 1 48 48 MET HG3 H 1 2.496 0.03 . 2 . . . . 48 MET HG3 . 6930 1 639 . 1 1 48 48 MET HE1 H 1 2.080 0.03 . 1 . . . . 48 MET HE1 . 6930 1 640 . 1 1 48 48 MET HE2 H 1 2.080 0.03 . 1 . . . . 48 MET HE1 . 6930 1 641 . 1 1 48 48 MET HE3 H 1 2.080 0.03 . 1 . . . . 48 MET HE1 . 6930 1 642 . 1 1 48 48 MET C C 13 175.550 0.3 . 1 . . . . 48 MET C . 6930 1 643 . 1 1 48 48 MET CA C 13 54.970 0.3 . 1 . . . . 48 MET CA . 6930 1 644 . 1 1 48 48 MET CB C 13 32.770 0.3 . 1 . . . . 48 MET CB . 6930 1 645 . 1 1 48 48 MET CG C 13 32.910 0.3 . 1 . . . . 48 MET CG . 6930 1 646 . 1 1 48 48 MET CE C 13 17.220 0.3 . 1 . . . . 48 MET CE . 6930 1 647 . 1 1 48 48 MET N N 15 116.090 0.3 . 1 . . . . 48 MET N . 6930 1 648 . 1 1 49 49 ARG H H 1 7.653 0.03 . 1 . . . . 49 ARG HN . 6930 1 649 . 1 1 49 49 ARG HA H 1 4.377 0.03 . 1 . . . . 49 ARG HA . 6930 1 650 . 1 1 49 49 ARG HB2 H 1 1.908 0.03 . 1 . . . . 49 ARG HB2 . 6930 1 651 . 1 1 49 49 ARG HB3 H 1 1.908 0.03 . 1 . . . . 49 ARG HB3 . 6930 1 652 . 1 1 49 49 ARG HG2 H 1 1.700 0.03 . 2 . . . . 49 ARG HG2 . 6930 1 653 . 1 1 49 49 ARG HG3 H 1 1.750 0.03 . 2 . . . . 49 ARG HG3 . 6930 1 654 . 1 1 49 49 ARG HD2 H 1 3.226 0.03 . 1 . . . . 49 ARG HD2 . 6930 1 655 . 1 1 49 49 ARG HD3 H 1 3.226 0.03 . 1 . . . . 49 ARG HD3 . 6930 1 656 . 1 1 49 49 ARG C C 13 177.450 0.3 . 1 . . . . 49 ARG C . 6930 1 657 . 1 1 49 49 ARG CA C 13 57.250 0.3 . 1 . . . . 49 ARG CA . 6930 1 658 . 1 1 49 49 ARG CB C 13 30.400 0.3 . 1 . . . . 49 ARG CB . 6930 1 659 . 1 1 49 49 ARG CG C 13 27.200 0.3 . 1 . . . . 49 ARG CG . 6930 1 660 . 1 1 49 49 ARG CD C 13 43.610 0.3 . 1 . . . . 49 ARG CD . 6930 1 661 . 1 1 49 49 ARG N N 15 119.580 0.3 . 1 . . . . 49 ARG N . 6930 1 662 . 1 1 50 50 GLY H H 1 9.177 0.03 . 1 . . . . 50 GLY HN . 6930 1 663 . 1 1 50 50 GLY HA2 H 1 3.960 0.03 . 2 . . . . 50 GLY HA2 . 6930 1 664 . 1 1 50 50 GLY HA3 H 1 4.107 0.03 . 2 . . . . 50 GLY HA3 . 6930 1 665 . 1 1 50 50 GLY C C 13 172.960 0.3 . 1 . . . . 50 GLY C . 6930 1 666 . 1 1 50 50 GLY CA C 13 46.140 0.3 . 1 . . . . 50 GLY CA . 6930 1 667 . 1 1 50 50 GLY N N 15 111.640 0.3 . 1 . . . . 50 GLY N . 6930 1 668 . 1 1 51 51 GLN H H 1 7.853 0.03 . 1 . . . . 51 GLN HN . 6930 1 669 . 1 1 51 51 GLN HA H 1 5.516 0.03 . 1 . . . . 51 GLN HA . 6930 1 670 . 1 1 51 51 GLN HB2 H 1 2.326 0.03 . 1 . . . . 51 GLN HB2 . 6930 1 671 . 1 1 51 51 GLN HB3 H 1 2.326 0.03 . 1 . . . . 51 GLN HB3 . 6930 1 672 . 1 1 51 51 GLN HG3 H 1 2.326 0.03 . 2 . . . . 51 GLN HG3 . 6930 1 673 . 1 1 51 51 GLN HE21 H 1 7.628 0.03 . 2 . . . . 51 GLN HE21 . 6930 1 674 . 1 1 51 51 GLN HE22 H 1 6.803 0.03 . 2 . . . . 51 GLN HE22 . 6930 1 675 . 1 1 51 51 GLN C C 13 174.800 0.3 . 1 . . . . 51 GLN C . 6930 1 676 . 1 1 51 51 GLN CA C 13 54.160 0.3 . 1 . . . . 51 GLN CA . 6930 1 677 . 1 1 51 51 GLN CB C 13 34.330 0.3 . 1 . . . . 51 GLN CB . 6930 1 678 . 1 1 51 51 GLN CG C 13 34.330 0.3 . 1 . . . . 51 GLN CG . 6930 1 679 . 1 1 51 51 GLN N N 15 117.000 0.3 . 1 . . . . 51 GLN N . 6930 1 680 . 1 1 51 51 GLN NE2 N 15 111.930 0.3 . 1 . . . . 51 GLN NE2 . 6930 1 681 . 1 1 52 52 ALA H H 1 8.765 0.03 . 1 . . . . 52 ALA HN . 6930 1 682 . 1 1 52 52 ALA HA H 1 5.098 0.03 . 1 . . . . 52 ALA HA . 6930 1 683 . 1 1 52 52 ALA HB1 H 1 1.064 0.03 . 1 . . . . 52 ALA HB1 . 6930 1 684 . 1 1 52 52 ALA HB2 H 1 1.064 0.03 . 1 . . . . 52 ALA HB1 . 6930 1 685 . 1 1 52 52 ALA HB3 H 1 1.064 0.03 . 1 . . . . 52 ALA HB1 . 6930 1 686 . 1 1 52 52 ALA C C 13 174.820 0.3 . 1 . . . . 52 ALA C . 6930 1 687 . 1 1 52 52 ALA CA C 13 51.170 0.3 . 1 . . . . 52 ALA CA . 6930 1 688 . 1 1 52 52 ALA CB C 13 23.350 0.3 . 1 . . . . 52 ALA CB . 6930 1 689 . 1 1 52 52 ALA N N 15 121.050 0.3 . 1 . . . . 52 ALA N . 6930 1 690 . 1 1 53 53 PHE H H 1 8.840 0.03 . 1 . . . . 53 PHE HN . 6930 1 691 . 1 1 53 53 PHE HA H 1 5.615 0.03 . 1 . . . . 53 PHE HA . 6930 1 692 . 1 1 53 53 PHE HB2 H 1 2.632 0.03 . 1 . . . . 53 PHE HB2 . 6930 1 693 . 1 1 53 53 PHE HB3 H 1 2.632 0.03 . 1 . . . . 53 PHE HB3 . 6930 1 694 . 1 1 53 53 PHE HD1 H 1 6.973 0.03 . 3 . . . . 53 PHE HD1 . 6930 1 695 . 1 1 53 53 PHE HE1 H 1 7.173 0.03 . 3 . . . . 53 PHE HE1 . 6930 1 696 . 1 1 53 53 PHE C C 13 174.870 0.3 . 1 . . . . 53 PHE C . 6930 1 697 . 1 1 53 53 PHE CA C 13 55.770 0.3 . 1 . . . . 53 PHE CA . 6930 1 698 . 1 1 53 53 PHE CB C 13 41.530 0.3 . 1 . . . . 53 PHE CB . 6930 1 699 . 1 1 53 53 PHE CD1 C 13 131.360 0.3 . 3 . . . . 53 PHE CD1 . 6930 1 700 . 1 1 53 53 PHE CE1 C 13 131.400 0.3 . 3 . . . . 53 PHE CE1 . 6930 1 701 . 1 1 53 53 PHE N N 15 115.860 0.3 . 1 . . . . 53 PHE N . 6930 1 702 . 1 1 54 54 VAL H H 1 8.766 0.03 . 1 . . . . 54 VAL HN . 6930 1 703 . 1 1 54 54 VAL HA H 1 4.169 0.03 . 1 . . . . 54 VAL HA . 6930 1 704 . 1 1 54 54 VAL HB H 1 1.506 0.03 . 1 . . . . 54 VAL HB . 6930 1 705 . 1 1 54 54 VAL HG11 H 1 -0.064 0.03 . 2 . . . . 54 VAL HG11 . 6930 1 706 . 1 1 54 54 VAL HG12 H 1 -0.064 0.03 . 2 . . . . 54 VAL HG11 . 6930 1 707 . 1 1 54 54 VAL HG13 H 1 -0.064 0.03 . 2 . . . . 54 VAL HG11 . 6930 1 708 . 1 1 54 54 VAL HG21 H 1 0.314 0.03 . 2 . . . . 54 VAL HG21 . 6930 1 709 . 1 1 54 54 VAL HG22 H 1 0.314 0.03 . 2 . . . . 54 VAL HG21 . 6930 1 710 . 1 1 54 54 VAL HG23 H 1 0.314 0.03 . 2 . . . . 54 VAL HG21 . 6930 1 711 . 1 1 54 54 VAL C C 13 173.330 0.3 . 1 . . . . 54 VAL C . 6930 1 712 . 1 1 54 54 VAL CA C 13 61.920 0.3 . 1 . . . . 54 VAL CA . 6930 1 713 . 1 1 54 54 VAL CB C 13 32.860 0.3 . 1 . . . . 54 VAL CB . 6930 1 714 . 1 1 54 54 VAL CG1 C 13 21.030 0.3 . 1 . . . . 54 VAL CG1 . 6930 1 715 . 1 1 54 54 VAL CG2 C 13 19.820 0.3 . 1 . . . . 54 VAL CG2 . 6930 1 716 . 1 1 54 54 VAL N N 15 121.920 0.3 . 1 . . . . 54 VAL N . 6930 1 717 . 1 1 55 55 ILE H H 1 8.319 0.03 . 1 . . . . 55 ILE HN . 6930 1 718 . 1 1 55 55 ILE HA H 1 4.512 0.03 . 1 . . . . 55 ILE HA . 6930 1 719 . 1 1 55 55 ILE HB H 1 1.764 0.03 . 1 . . . . 55 ILE HB . 6930 1 720 . 1 1 55 55 ILE HG12 H 1 1.485 0.03 . 1 . . . . 55 ILE HG11 . 6930 1 721 . 1 1 55 55 ILE HG13 H 1 1.304 0.03 . 1 . . . . 55 ILE HG12 . 6930 1 722 . 1 1 55 55 ILE HG21 H 1 0.845 0.03 . 1 . . . . 55 ILE HG21 . 6930 1 723 . 1 1 55 55 ILE HG22 H 1 0.845 0.03 . 1 . . . . 55 ILE HG21 . 6930 1 724 . 1 1 55 55 ILE HG23 H 1 0.845 0.03 . 1 . . . . 55 ILE HG21 . 6930 1 725 . 1 1 55 55 ILE HD11 H 1 0.785 0.03 . 1 . . . . 55 ILE HD11 . 6930 1 726 . 1 1 55 55 ILE HD12 H 1 0.785 0.03 . 1 . . . . 55 ILE HD11 . 6930 1 727 . 1 1 55 55 ILE HD13 H 1 0.785 0.03 . 1 . . . . 55 ILE HD11 . 6930 1 728 . 1 1 55 55 ILE C C 13 173.920 0.3 . 1 . . . . 55 ILE C . 6930 1 729 . 1 1 55 55 ILE CA C 13 60.880 0.3 . 1 . . . . 55 ILE CA . 6930 1 730 . 1 1 55 55 ILE CB C 13 39.130 0.3 . 1 . . . . 55 ILE CB . 6930 1 731 . 1 1 55 55 ILE CG1 C 13 27.000 0.3 . 1 . . . . 55 ILE CG1 . 6930 1 732 . 1 1 55 55 ILE CG2 C 13 18.080 0.3 . 1 . . . . 55 ILE CG2 . 6930 1 733 . 1 1 55 55 ILE CD1 C 13 15.540 0.3 . 1 . . . . 55 ILE CD1 . 6930 1 734 . 1 1 55 55 ILE N N 15 126.350 0.3 . 1 . . . . 55 ILE N . 6930 1 735 . 1 1 56 56 PHE H H 1 9.009 0.03 . 1 . . . . 56 PHE HN . 6930 1 736 . 1 1 56 56 PHE HA H 1 4.889 0.03 . 1 . . . . 56 PHE HA . 6930 1 737 . 1 1 56 56 PHE HB2 H 1 3.487 0.03 . 2 . . . . 56 PHE HB2 . 6930 1 738 . 1 1 56 56 PHE HB3 H 1 3.306 0.03 . 2 . . . . 56 PHE HB3 . 6930 1 739 . 1 1 56 56 PHE HD1 H 1 7.219 0.03 . 3 . . . . 56 PHE HD1 . 6930 1 740 . 1 1 56 56 PHE HE1 H 1 7.115 0.03 . 3 . . . . 56 PHE HE1 . 6930 1 741 . 1 1 56 56 PHE C C 13 175.180 0.3 . 1 . . . . 56 PHE C . 6930 1 742 . 1 1 56 56 PHE CA C 13 59.030 0.3 . 1 . . . . 56 PHE CA . 6930 1 743 . 1 1 56 56 PHE CB C 13 40.320 0.3 . 1 . . . . 56 PHE CB . 6930 1 744 . 1 1 56 56 PHE N N 15 126.440 0.3 . 1 . . . . 56 PHE N . 6930 1 745 . 1 1 57 57 LYS H H 1 8.191 0.03 . 1 . . . . 57 LYS HN . 6930 1 746 . 1 1 57 57 LYS HA H 1 3.969 0.03 . 1 . . . . 57 LYS HA . 6930 1 747 . 1 1 57 57 LYS HB2 H 1 1.554 0.03 . 2 . . . . 57 LYS HB2 . 6930 1 748 . 1 1 57 57 LYS HB3 H 1 2.093 0.03 . 2 . . . . 57 LYS HB3 . 6930 1 749 . 1 1 57 57 LYS HG2 H 1 1.486 0.03 . 1 . . . . 57 LYS HG2 . 6930 1 750 . 1 1 57 57 LYS HG3 H 1 1.486 0.03 . 1 . . . . 57 LYS HG3 . 6930 1 751 . 1 1 57 57 LYS HD2 H 1 1.703 0.03 . 1 . . . . 57 LYS HD2 . 6930 1 752 . 1 1 57 57 LYS HD3 H 1 1.703 0.03 . 1 . . . . 57 LYS HD3 . 6930 1 753 . 1 1 57 57 LYS HE2 H 1 3.030 0.03 . 2 . . . . 57 LYS HE2 . 6930 1 754 . 1 1 57 57 LYS HE3 H 1 3.024 0.03 . 2 . . . . 57 LYS HE3 . 6930 1 755 . 1 1 57 57 LYS C C 13 176.140 0.3 . 1 . . . . 57 LYS C . 6930 1 756 . 1 1 57 57 LYS CA C 13 59.290 0.3 . 1 . . . . 57 LYS CA . 6930 1 757 . 1 1 57 57 LYS CB C 13 33.850 0.3 . 1 . . . . 57 LYS CB . 6930 1 758 . 1 1 57 57 LYS CG C 13 25.600 0.3 . 1 . . . . 57 LYS CG . 6930 1 759 . 1 1 57 57 LYS CD C 13 29.580 0.3 . 1 . . . . 57 LYS CD . 6930 1 760 . 1 1 57 57 LYS CE C 13 42.250 0.3 . 1 . . . . 57 LYS CE . 6930 1 761 . 1 1 57 57 LYS N N 15 119.130 0.3 . 1 . . . . 57 LYS N . 6930 1 762 . 1 1 58 58 GLU H H 1 8.614 0.03 . 1 . . . . 58 GLU HN . 6930 1 763 . 1 1 58 58 GLU HA H 1 4.850 0.03 . 1 . . . . 58 GLU HA . 6930 1 764 . 1 1 58 58 GLU HB2 H 1 2.012 0.03 . 2 . . . . 58 GLU HB2 . 6930 1 765 . 1 1 58 58 GLU HB3 H 1 2.290 0.03 . 2 . . . . 58 GLU HB3 . 6930 1 766 . 1 1 58 58 GLU HG2 H 1 2.303 0.03 . 2 . . . . 58 GLU HG2 . 6930 1 767 . 1 1 58 58 GLU HG3 H 1 2.369 0.03 . 2 . . . . 58 GLU HG3 . 6930 1 768 . 1 1 58 58 GLU C C 13 177.130 0.3 . 1 . . . . 58 GLU C . 6930 1 769 . 1 1 58 58 GLU CA C 13 54.130 0.3 . 1 . . . . 58 GLU CA . 6930 1 770 . 1 1 58 58 GLU CB C 13 32.230 0.3 . 1 . . . . 58 GLU CB . 6930 1 771 . 1 1 58 58 GLU CG C 13 36.020 0.3 . 1 . . . . 58 GLU CG . 6930 1 772 . 1 1 58 58 GLU N N 15 114.350 0.3 . 1 . . . . 58 GLU N . 6930 1 773 . 1 1 59 59 ILE H H 1 8.825 0.03 . 1 . . . . 59 ILE HN . 6930 1 774 . 1 1 59 59 ILE HA H 1 3.499 0.03 . 1 . . . . 59 ILE HA . 6930 1 775 . 1 1 59 59 ILE HB H 1 1.681 0.03 . 1 . . . . 59 ILE HB . 6930 1 776 . 1 1 59 59 ILE HG12 H 1 1.645 0.03 . 1 . . . . 59 ILE HG11 . 6930 1 777 . 1 1 59 59 ILE HG13 H 1 0.840 0.03 . 1 . . . . 59 ILE HG12 . 6930 1 778 . 1 1 59 59 ILE HG21 H 1 0.734 0.03 . 1 . . . . 59 ILE HG21 . 6930 1 779 . 1 1 59 59 ILE HG22 H 1 0.734 0.03 . 1 . . . . 59 ILE HG21 . 6930 1 780 . 1 1 59 59 ILE HG23 H 1 0.734 0.03 . 1 . . . . 59 ILE HG21 . 6930 1 781 . 1 1 59 59 ILE HD11 H 1 0.852 0.03 . 1 . . . . 59 ILE HD11 . 6930 1 782 . 1 1 59 59 ILE HD12 H 1 0.852 0.03 . 1 . . . . 59 ILE HD11 . 6930 1 783 . 1 1 59 59 ILE HD13 H 1 0.852 0.03 . 1 . . . . 59 ILE HD11 . 6930 1 784 . 1 1 59 59 ILE C C 13 177.650 0.3 . 1 . . . . 59 ILE C . 6930 1 785 . 1 1 59 59 ILE CA C 13 65.660 0.3 . 1 . . . . 59 ILE CA . 6930 1 786 . 1 1 59 59 ILE CB C 13 38.040 0.3 . 1 . . . . 59 ILE CB . 6930 1 787 . 1 1 59 59 ILE CG1 C 13 29.590 0.3 . 1 . . . . 59 ILE CG1 . 6930 1 788 . 1 1 59 59 ILE CG2 C 13 17.290 0.3 . 1 . . . . 59 ILE CG2 . 6930 1 789 . 1 1 59 59 ILE CD1 C 13 13.780 0.3 . 1 . . . . 59 ILE CD1 . 6930 1 790 . 1 1 59 59 ILE N N 15 122.940 0.3 . 1 . . . . 59 ILE N . 6930 1 791 . 1 1 60 60 GLY H H 1 8.875 0.03 . 1 . . . . 60 GLY HN . 6930 1 792 . 1 1 60 60 GLY HA2 H 1 3.780 0.03 . 2 . . . . 60 GLY HA2 . 6930 1 793 . 1 1 60 60 GLY HA3 H 1 3.925 0.03 . 2 . . . . 60 GLY HA3 . 6930 1 794 . 1 1 60 60 GLY C C 13 176.700 0.3 . 1 . . . . 60 GLY C . 6930 1 795 . 1 1 60 60 GLY CA C 13 47.070 0.3 . 1 . . . . 60 GLY CA . 6930 1 796 . 1 1 60 60 GLY N N 15 106.980 0.3 . 1 . . . . 60 GLY N . 6930 1 797 . 1 1 61 61 SER H H 1 6.973 0.03 . 1 . . . . 61 SER HN . 6930 1 798 . 1 1 61 61 SER HA H 1 4.141 0.03 . 1 . . . . 61 SER HA . 6930 1 799 . 1 1 61 61 SER HB2 H 1 3.071 0.03 . 2 . . . . 61 SER HB2 . 6930 1 800 . 1 1 61 61 SER HB3 H 1 3.662 0.03 . 2 . . . . 61 SER HB3 . 6930 1 801 . 1 1 61 61 SER C C 13 174.060 0.3 . 1 . . . . 61 SER C . 6930 1 802 . 1 1 61 61 SER CA C 13 61.870 0.3 . 1 . . . . 61 SER CA . 6930 1 803 . 1 1 61 61 SER CB C 13 63.150 0.3 . 1 . . . . 61 SER CB . 6930 1 804 . 1 1 61 61 SER N N 15 116.200 0.3 . 1 . . . . 61 SER N . 6930 1 805 . 1 1 62 62 ALA H H 1 6.786 0.03 . 1 . . . . 62 ALA HN . 6930 1 806 . 1 1 62 62 ALA HA H 1 3.370 0.03 . 1 . . . . 62 ALA HA . 6930 1 807 . 1 1 62 62 ALA HB1 H 1 1.696 0.03 . 1 . . . . 62 ALA HB1 . 6930 1 808 . 1 1 62 62 ALA HB2 H 1 1.696 0.03 . 1 . . . . 62 ALA HB1 . 6930 1 809 . 1 1 62 62 ALA HB3 H 1 1.696 0.03 . 1 . . . . 62 ALA HB1 . 6930 1 810 . 1 1 62 62 ALA C C 13 178.960 0.3 . 1 . . . . 62 ALA C . 6930 1 811 . 1 1 62 62 ALA CA C 13 55.370 0.3 . 1 . . . . 62 ALA CA . 6930 1 812 . 1 1 62 62 ALA CB C 13 19.030 0.3 . 1 . . . . 62 ALA CB . 6930 1 813 . 1 1 62 62 ALA N N 15 123.660 0.3 . 1 . . . . 62 ALA N . 6930 1 814 . 1 1 63 63 SER H H 1 8.379 0.03 . 1 . . . . 63 SER HN . 6930 1 815 . 1 1 63 63 SER HA H 1 4.551 0.03 . 1 . . . . 63 SER HA . 6930 1 816 . 1 1 63 63 SER HB2 H 1 3.920 0.03 . 1 . . . . 63 SER HB2 . 6930 1 817 . 1 1 63 63 SER HB3 H 1 3.920 0.03 . 1 . . . . 63 SER HB3 . 6930 1 818 . 1 1 63 63 SER C C 13 177.040 0.3 . 1 . . . . 63 SER C . 6930 1 819 . 1 1 63 63 SER CA C 13 61.000 0.3 . 1 . . . . 63 SER CA . 6930 1 820 . 1 1 63 63 SER CB C 13 63.090 0.3 . 1 . . . . 63 SER CB . 6930 1 821 . 1 1 63 63 SER N N 15 111.560 0.3 . 1 . . . . 63 SER N . 6930 1 822 . 1 1 64 64 ASN H H 1 7.737 0.03 . 1 . . . . 64 ASN HN . 6930 1 823 . 1 1 64 64 ASN HA H 1 4.434 0.03 . 1 . . . . 64 ASN HA . 6930 1 824 . 1 1 64 64 ASN HB2 H 1 2.942 0.03 . 2 . . . . 64 ASN HB2 . 6930 1 825 . 1 1 64 64 ASN HB3 H 1 2.921 0.03 . 2 . . . . 64 ASN HB3 . 6930 1 826 . 1 1 64 64 ASN HD21 H 1 7.987 0.03 . 2 . . . . 64 ASN HD21 . 6930 1 827 . 1 1 64 64 ASN HD22 H 1 6.968 0.03 . 2 . . . . 64 ASN HD22 . 6930 1 828 . 1 1 64 64 ASN C C 13 177.490 0.3 . 1 . . . . 64 ASN C . 6930 1 829 . 1 1 64 64 ASN CA C 13 55.410 0.3 . 1 . . . . 64 ASN CA . 6930 1 830 . 1 1 64 64 ASN CB C 13 37.930 0.3 . 1 . . . . 64 ASN CB . 6930 1 831 . 1 1 64 64 ASN N N 15 120.200 0.3 . 1 . . . . 64 ASN N . 6930 1 832 . 1 1 64 64 ASN ND2 N 15 112.310 0.3 . 1 . . . . 64 ASN ND2 . 6930 1 833 . 1 1 65 65 ALA H H 1 8.085 0.03 . 1 . . . . 65 ALA HN . 6930 1 834 . 1 1 65 65 ALA HA H 1 4.864 0.03 . 1 . . . . 65 ALA HA . 6930 1 835 . 1 1 65 65 ALA HB1 H 1 1.121 0.03 . 1 . . . . 65 ALA HB1 . 6930 1 836 . 1 1 65 65 ALA HB2 H 1 1.121 0.03 . 1 . . . . 65 ALA HB1 . 6930 1 837 . 1 1 65 65 ALA HB3 H 1 1.121 0.03 . 1 . . . . 65 ALA HB1 . 6930 1 838 . 1 1 65 65 ALA C C 13 178.180 0.3 . 1 . . . . 65 ALA C . 6930 1 839 . 1 1 65 65 ALA CA C 13 54.700 0.3 . 1 . . . . 65 ALA CA . 6930 1 840 . 1 1 65 65 ALA CB C 13 19.950 0.3 . 1 . . . . 65 ALA CB . 6930 1 841 . 1 1 65 65 ALA N N 15 125.150 0.3 . 1 . . . . 65 ALA N . 6930 1 842 . 1 1 66 66 LEU H H 1 8.083 0.03 . 1 . . . . 66 LEU HN . 6930 1 843 . 1 1 66 66 LEU HA H 1 3.560 0.03 . 1 . . . . 66 LEU HA . 6930 1 844 . 1 1 66 66 LEU HB2 H 1 1.282 0.03 . 2 . . . . 66 LEU HB2 . 6930 1 845 . 1 1 66 66 LEU HB3 H 1 1.563 0.03 . 2 . . . . 66 LEU HB3 . 6930 1 846 . 1 1 66 66 LEU HG H 1 1.135 0.03 . 1 . . . . 66 LEU HG . 6930 1 847 . 1 1 66 66 LEU HD11 H 1 0.060 0.03 . 2 . . . . 66 LEU HD11 . 6930 1 848 . 1 1 66 66 LEU HD12 H 1 0.060 0.03 . 2 . . . . 66 LEU HD11 . 6930 1 849 . 1 1 66 66 LEU HD13 H 1 0.060 0.03 . 2 . . . . 66 LEU HD11 . 6930 1 850 . 1 1 66 66 LEU HD21 H 1 0.525 0.03 . 2 . . . . 66 LEU HD21 . 6930 1 851 . 1 1 66 66 LEU HD22 H 1 0.525 0.03 . 2 . . . . 66 LEU HD21 . 6930 1 852 . 1 1 66 66 LEU HD23 H 1 0.525 0.03 . 2 . . . . 66 LEU HD21 . 6930 1 853 . 1 1 66 66 LEU C C 13 177.650 0.3 . 1 . . . . 66 LEU C . 6930 1 854 . 1 1 66 66 LEU CA C 13 59.540 0.3 . 1 . . . . 66 LEU CA . 6930 1 855 . 1 1 66 66 LEU CB C 13 42.020 0.3 . 1 . . . . 66 LEU CB . 6930 1 856 . 1 1 66 66 LEU CG C 13 27.140 0.3 . 1 . . . . 66 LEU CG . 6930 1 857 . 1 1 66 66 LEU CD1 C 13 25.570 0.3 . 1 . . . . 66 LEU CD1 . 6930 1 858 . 1 1 66 66 LEU CD2 C 13 24.800 0.3 . 1 . . . . 66 LEU CD2 . 6930 1 859 . 1 1 66 66 LEU N N 15 118.670 0.3 . 1 . . . . 66 LEU N . 6930 1 860 . 1 1 67 67 ARG H H 1 7.620 0.03 . 1 . . . . 67 ARG HN . 6930 1 861 . 1 1 67 67 ARG HA H 1 3.939 0.03 . 1 . . . . 67 ARG HA . 6930 1 862 . 1 1 67 67 ARG HB2 H 1 1.850 0.03 . 2 . . . . 67 ARG HB2 . 6930 1 863 . 1 1 67 67 ARG HB3 H 1 1.935 0.03 . 2 . . . . 67 ARG HB3 . 6930 1 864 . 1 1 67 67 ARG HG2 H 1 1.659 0.03 . 2 . . . . 67 ARG HG2 . 6930 1 865 . 1 1 67 67 ARG HG3 H 1 1.782 0.03 . 2 . . . . 67 ARG HG3 . 6930 1 866 . 1 1 67 67 ARG HD2 H 1 3.222 0.03 . 1 . . . . 67 ARG HD2 . 6930 1 867 . 1 1 67 67 ARG HD3 H 1 3.222 0.03 . 1 . . . . 67 ARG HD3 . 6930 1 868 . 1 1 67 67 ARG C C 13 178.960 0.3 . 1 . . . . 67 ARG C . 6930 1 869 . 1 1 67 67 ARG CA C 13 58.860 0.3 . 1 . . . . 67 ARG CA . 6930 1 870 . 1 1 67 67 ARG CB C 13 30.570 0.3 . 1 . . . . 67 ARG CB . 6930 1 871 . 1 1 67 67 ARG CG C 13 27.680 0.3 . 1 . . . . 67 ARG CG . 6930 1 872 . 1 1 67 67 ARG CD C 13 43.370 0.3 . 1 . . . . 67 ARG CD . 6930 1 873 . 1 1 67 67 ARG N N 15 114.570 0.3 . 1 . . . . 67 ARG N . 6930 1 874 . 1 1 68 68 THR H H 1 7.850 0.03 . 1 . . . . 68 THR HN . 6930 1 875 . 1 1 68 68 THR HA H 1 4.040 0.03 . 1 . . . . 68 THR HA . 6930 1 876 . 1 1 68 68 THR HB H 1 3.855 0.03 . 1 . . . . 68 THR HB . 6930 1 877 . 1 1 68 68 THR HG21 H 1 1.348 0.03 . 1 . . . . 68 THR HG21 . 6930 1 878 . 1 1 68 68 THR HG22 H 1 1.348 0.03 . 1 . . . . 68 THR HG21 . 6930 1 879 . 1 1 68 68 THR HG23 H 1 1.348 0.03 . 1 . . . . 68 THR HG21 . 6930 1 880 . 1 1 68 68 THR C C 13 175.960 0.3 . 1 . . . . 68 THR C . 6930 1 881 . 1 1 68 68 THR CA C 13 66.160 0.3 . 1 . . . . 68 THR CA . 6930 1 882 . 1 1 68 68 THR CB C 13 69.260 0.3 . 1 . . . . 68 THR CB . 6930 1 883 . 1 1 68 68 THR CG2 C 13 21.580 0.3 . 1 . . . . 68 THR CG2 . 6930 1 884 . 1 1 68 68 THR N N 15 112.630 0.3 . 1 . . . . 68 THR N . 6930 1 885 . 1 1 69 69 MET H H 1 7.934 0.03 . 1 . . . . 69 MET HN . 6930 1 886 . 1 1 69 69 MET HA H 1 4.734 0.03 . 1 . . . . 69 MET HA . 6930 1 887 . 1 1 69 69 MET HB2 H 1 2.091 0.03 . 2 . . . . 69 MET HB2 . 6930 1 888 . 1 1 69 69 MET HB3 H 1 1.949 0.03 . 2 . . . . 69 MET HB3 . 6930 1 889 . 1 1 69 69 MET HG2 H 1 2.030 0.03 . 2 . . . . 69 MET HG2 . 6930 1 890 . 1 1 69 69 MET HG3 H 1 2.186 0.03 . 2 . . . . 69 MET HG3 . 6930 1 891 . 1 1 69 69 MET HE1 H 1 1.790 0.03 . 1 . . . . 69 MET HE1 . 6930 1 892 . 1 1 69 69 MET HE2 H 1 1.790 0.03 . 1 . . . . 69 MET HE1 . 6930 1 893 . 1 1 69 69 MET HE3 H 1 1.790 0.03 . 1 . . . . 69 MET HE1 . 6930 1 894 . 1 1 69 69 MET C C 13 175.820 0.3 . 1 . . . . 69 MET C . 6930 1 895 . 1 1 69 69 MET CA C 13 53.560 0.3 . 1 . . . . 69 MET CA . 6930 1 896 . 1 1 69 69 MET CB C 13 29.730 0.3 . 1 . . . . 69 MET CB . 6930 1 897 . 1 1 69 69 MET CG C 13 32.800 0.3 . 1 . . . . 69 MET CG . 6930 1 898 . 1 1 69 69 MET CE C 13 17.960 0.3 . 1 . . . . 69 MET CE . 6930 1 899 . 1 1 69 69 MET N N 15 115.080 0.3 . 1 . . . . 69 MET N . 6930 1 900 . 1 1 70 70 GLN H H 1 7.003 0.03 . 1 . . . . 70 GLN HN . 6930 1 901 . 1 1 70 70 GLN HA H 1 4.043 0.03 . 1 . . . . 70 GLN HA . 6930 1 902 . 1 1 70 70 GLN HB2 H 1 2.147 0.03 . 2 . . . . 70 GLN HB2 . 6930 1 903 . 1 1 70 70 GLN HB3 H 1 2.445 0.03 . 2 . . . . 70 GLN HB3 . 6930 1 904 . 1 1 70 70 GLN HG2 H 1 2.031 0.03 . 2 . . . . 70 GLN HG2 . 6930 1 905 . 1 1 70 70 GLN HG3 H 1 2.605 0.03 . 2 . . . . 70 GLN HG3 . 6930 1 906 . 1 1 70 70 GLN HE21 H 1 7.835 0.03 . 2 . . . . 70 GLN HE21 . 6930 1 907 . 1 1 70 70 GLN HE22 H 1 7.542 0.03 . 2 . . . . 70 GLN HE22 . 6930 1 908 . 1 1 70 70 GLN C C 13 178.020 0.3 . 1 . . . . 70 GLN C . 6930 1 909 . 1 1 70 70 GLN CA C 13 57.710 0.3 . 1 . . . . 70 GLN CA . 6930 1 910 . 1 1 70 70 GLN CB C 13 30.080 0.3 . 1 . . . . 70 GLN CB . 6930 1 911 . 1 1 70 70 GLN CG C 13 33.740 0.3 . 1 . . . . 70 GLN CG . 6930 1 912 . 1 1 70 70 GLN N N 15 120.730 0.3 . 1 . . . . 70 GLN N . 6930 1 913 . 1 1 70 70 GLN NE2 N 15 110.680 0.3 . 1 . . . . 70 GLN NE2 . 6930 1 914 . 1 1 71 71 GLY H H 1 8.693 0.03 . 1 . . . . 71 GLY HN . 6930 1 915 . 1 1 71 71 GLY HA2 H 1 4.230 0.03 . 2 . . . . 71 GLY HA2 . 6930 1 916 . 1 1 71 71 GLY HA3 H 1 3.817 0.03 . 2 . . . . 71 GLY HA3 . 6930 1 917 . 1 1 71 71 GLY C C 13 173.290 0.3 . 1 . . . . 71 GLY C . 6930 1 918 . 1 1 71 71 GLY CA C 13 45.960 0.3 . 1 . . . . 71 GLY CA . 6930 1 919 . 1 1 71 71 GLY N N 15 118.750 0.3 . 1 . . . . 71 GLY N . 6930 1 920 . 1 1 72 72 PHE H H 1 8.426 0.03 . 1 . . . . 72 PHE HN . 6930 1 921 . 1 1 72 72 PHE HA H 1 4.641 0.03 . 1 . . . . 72 PHE HA . 6930 1 922 . 1 1 72 72 PHE HB2 H 1 3.297 0.03 . 2 . . . . 72 PHE HB2 . 6930 1 923 . 1 1 72 72 PHE HB3 H 1 3.035 0.03 . 2 . . . . 72 PHE HB3 . 6930 1 924 . 1 1 72 72 PHE HD1 H 1 7.200 0.03 . 3 . . . . 72 PHE HD1 . 6930 1 925 . 1 1 72 72 PHE HE1 H 1 7.520 0.03 . 3 . . . . 72 PHE HE1 . 6930 1 926 . 1 1 72 72 PHE CA C 13 56.830 0.3 . 1 . . . . 72 PHE CA . 6930 1 927 . 1 1 72 72 PHE CB C 13 40.650 0.3 . 1 . . . . 72 PHE CB . 6930 1 928 . 1 1 72 72 PHE N N 15 124.640 0.3 . 1 . . . . 72 PHE N . 6930 1 929 . 1 1 73 73 PRO HA H 1 4.052 0.03 . 1 . . . . 73 PRO HA . 6930 1 930 . 1 1 73 73 PRO HB2 H 1 1.693 0.03 . 2 . . . . 73 PRO HB2 . 6930 1 931 . 1 1 73 73 PRO HB3 H 1 1.796 0.03 . 2 . . . . 73 PRO HB3 . 6930 1 932 . 1 1 73 73 PRO HD2 H 1 2.595 0.03 . 2 . . . . 73 PRO HD2 . 6930 1 933 . 1 1 73 73 PRO HD3 H 1 3.778 0.03 . 2 . . . . 73 PRO HD3 . 6930 1 934 . 1 1 73 73 PRO C C 13 174.500 0.3 . 1 . . . . 73 PRO C . 6930 1 935 . 1 1 73 73 PRO CA C 13 62.460 0.3 . 1 . . . . 73 PRO CA . 6930 1 936 . 1 1 73 73 PRO CB C 13 30.700 0.3 . 1 . . . . 73 PRO CB . 6930 1 937 . 1 1 73 73 PRO CG C 13 27.580 0.3 . 1 . . . . 73 PRO CG . 6930 1 938 . 1 1 73 73 PRO CD C 13 50.650 0.3 . 1 . . . . 73 PRO CD . 6930 1 939 . 1 1 74 74 PHE H H 1 8.382 0.03 . 1 . . . . 74 PHE HN . 6930 1 940 . 1 1 74 74 PHE HA H 1 4.235 0.03 . 1 . . . . 74 PHE HA . 6930 1 941 . 1 1 74 74 PHE HB2 H 1 3.094 0.03 . 2 . . . . 74 PHE HB2 . 6930 1 942 . 1 1 74 74 PHE HB3 H 1 3.278 0.03 . 2 . . . . 74 PHE HB3 . 6930 1 943 . 1 1 74 74 PHE HD1 H 1 7.512 0.03 . 3 . . . . 74 PHE HD1 . 6930 1 944 . 1 1 74 74 PHE HE1 H 1 7.262 0.03 . 3 . . . . 74 PHE HE1 . 6930 1 945 . 1 1 74 74 PHE C C 13 175.590 0.3 . 1 . . . . 74 PHE C . 6930 1 946 . 1 1 74 74 PHE CA C 13 56.440 0.3 . 1 . . . . 74 PHE CA . 6930 1 947 . 1 1 74 74 PHE CB C 13 42.540 0.3 . 1 . . . . 74 PHE CB . 6930 1 948 . 1 1 74 74 PHE CD1 C 13 132.540 0.3 . 3 . . . . 74 PHE CD1 . 6930 1 949 . 1 1 74 74 PHE CE1 C 13 131.650 0.3 . 3 . . . . 74 PHE CE1 . 6930 1 950 . 1 1 74 74 PHE N N 15 128.220 0.3 . 1 . . . . 74 PHE N . 6930 1 951 . 1 1 75 75 TYR H H 1 9.185 0.03 . 1 . . . . 75 TYR HN . 6930 1 952 . 1 1 75 75 TYR HA H 1 3.764 0.03 . 1 . . . . 75 TYR HA . 6930 1 953 . 1 1 75 75 TYR HB2 H 1 2.549 0.03 . 2 . . . . 75 TYR HB2 . 6930 1 954 . 1 1 75 75 TYR HB3 H 1 3.035 0.03 . 2 . . . . 75 TYR HB3 . 6930 1 955 . 1 1 75 75 TYR HD1 H 1 6.262 0.03 . 3 . . . . 75 TYR HD1 . 6930 1 956 . 1 1 75 75 TYR HE1 H 1 6.470 0.03 . 3 . . . . 75 TYR HE1 . 6930 1 957 . 1 1 75 75 TYR C C 13 175.210 0.3 . 1 . . . . 75 TYR C . 6930 1 958 . 1 1 75 75 TYR CA C 13 60.780 0.3 . 1 . . . . 75 TYR CA . 6930 1 959 . 1 1 75 75 TYR CB C 13 36.110 0.3 . 1 . . . . 75 TYR CB . 6930 1 960 . 1 1 75 75 TYR CD1 C 13 133.280 0.3 . 3 . . . . 75 TYR CD1 . 6930 1 961 . 1 1 75 75 TYR CE1 C 13 117.950 0.3 . 3 . . . . 75 TYR CE1 . 6930 1 962 . 1 1 75 75 TYR N N 15 128.090 0.3 . 1 . . . . 75 TYR N . 6930 1 963 . 1 1 76 76 ASP H H 1 8.306 0.03 . 1 . . . . 76 ASP HN . 6930 1 964 . 1 1 76 76 ASP HA H 1 4.075 0.03 . 1 . . . . 76 ASP HA . 6930 1 965 . 1 1 76 76 ASP HB2 H 1 2.930 0.03 . 1 . . . . 76 ASP HB2 . 6930 1 966 . 1 1 76 76 ASP HB3 H 1 2.930 0.03 . 1 . . . . 76 ASP HB3 . 6930 1 967 . 1 1 76 76 ASP C C 13 175.390 0.3 . 1 . . . . 76 ASP C . 6930 1 968 . 1 1 76 76 ASP CA C 13 56.360 0.3 . 1 . . . . 76 ASP CA . 6930 1 969 . 1 1 76 76 ASP CB C 13 40.510 0.3 . 1 . . . . 76 ASP CB . 6930 1 970 . 1 1 76 76 ASP N N 15 107.370 0.3 . 1 . . . . 76 ASP N . 6930 1 971 . 1 1 77 77 LYS H H 1 7.687 0.03 . 1 . . . . 77 LYS HN . 6930 1 972 . 1 1 77 77 LYS HA H 1 5.020 0.03 . 1 . . . . 77 LYS HA . 6930 1 973 . 1 1 77 77 LYS HB2 H 1 1.992 0.03 . 2 . . . . 77 LYS HB2 . 6930 1 974 . 1 1 77 77 LYS HB3 H 1 1.927 0.03 . 2 . . . . 77 LYS HB3 . 6930 1 975 . 1 1 77 77 LYS HG2 H 1 1.486 0.03 . 1 . . . . 77 LYS HG2 . 6930 1 976 . 1 1 77 77 LYS HG3 H 1 1.486 0.03 . 1 . . . . 77 LYS HG3 . 6930 1 977 . 1 1 77 77 LYS HD2 H 1 1.567 0.03 . 2 . . . . 77 LYS HD2 . 6930 1 978 . 1 1 77 77 LYS HD3 H 1 1.627 0.03 . 2 . . . . 77 LYS HD3 . 6930 1 979 . 1 1 77 77 LYS HE2 H 1 2.874 0.03 . 2 . . . . 77 LYS HE2 . 6930 1 980 . 1 1 77 77 LYS HE3 H 1 2.946 0.03 . 2 . . . . 77 LYS HE3 . 6930 1 981 . 1 1 77 77 LYS CA C 13 53.450 0.3 . 1 . . . . 77 LYS CA . 6930 1 982 . 1 1 77 77 LYS CB C 13 34.800 0.3 . 1 . . . . 77 LYS CB . 6930 1 983 . 1 1 77 77 LYS CG C 13 24.760 0.3 . 1 . . . . 77 LYS CG . 6930 1 984 . 1 1 77 77 LYS CD C 13 28.970 0.3 . 1 . . . . 77 LYS CD . 6930 1 985 . 1 1 77 77 LYS CE C 13 41.960 0.3 . 1 . . . . 77 LYS CE . 6930 1 986 . 1 1 77 77 LYS N N 15 118.880 0.3 . 1 . . . . 77 LYS N . 6930 1 987 . 1 1 78 78 PRO HA H 1 4.240 0.03 . 1 . . . . 78 PRO HA . 6930 1 988 . 1 1 78 78 PRO HB2 H 1 1.883 0.03 . 2 . . . . 78 PRO HB2 . 6930 1 989 . 1 1 78 78 PRO HB3 H 1 2.154 0.03 . 2 . . . . 78 PRO HB3 . 6930 1 990 . 1 1 78 78 PRO HG2 H 1 1.972 0.03 . 2 . . . . 78 PRO HG2 . 6930 1 991 . 1 1 78 78 PRO HG3 H 1 2.160 0.03 . 2 . . . . 78 PRO HG3 . 6930 1 992 . 1 1 78 78 PRO HD2 H 1 3.846 0.03 . 2 . . . . 78 PRO HD2 . 6930 1 993 . 1 1 78 78 PRO HD3 H 1 3.685 0.03 . 2 . . . . 78 PRO HD3 . 6930 1 994 . 1 1 78 78 PRO C C 13 177.470 0.3 . 1 . . . . 78 PRO C . 6930 1 995 . 1 1 78 78 PRO CA C 13 62.310 0.3 . 1 . . . . 78 PRO CA . 6930 1 996 . 1 1 78 78 PRO CB C 13 31.690 0.3 . 1 . . . . 78 PRO CB . 6930 1 997 . 1 1 78 78 PRO CG C 13 27.670 0.3 . 1 . . . . 78 PRO CG . 6930 1 998 . 1 1 78 78 PRO CD C 13 50.960 0.3 . 1 . . . . 78 PRO CD . 6930 1 999 . 1 1 79 79 MET H H 1 8.696 0.03 . 1 . . . . 79 MET HN . 6930 1 1000 . 1 1 79 79 MET HA H 1 4.289 0.03 . 1 . . . . 79 MET HA . 6930 1 1001 . 1 1 79 79 MET HB2 H 1 1.895 0.03 . 2 . . . . 79 MET HB2 . 6930 1 1002 . 1 1 79 79 MET HB3 H 1 2.380 0.03 . 2 . . . . 79 MET HB3 . 6930 1 1003 . 1 1 79 79 MET HG2 H 1 2.692 0.03 . 2 . . . . 79 MET HG2 . 6930 1 1004 . 1 1 79 79 MET HG3 H 1 3.187 0.03 . 2 . . . . 79 MET HG3 . 6930 1 1005 . 1 1 79 79 MET HE1 H 1 2.120 0.03 . 1 . . . . 79 MET HE1 . 6930 1 1006 . 1 1 79 79 MET HE2 H 1 2.120 0.03 . 1 . . . . 79 MET HE1 . 6930 1 1007 . 1 1 79 79 MET HE3 H 1 2.120 0.03 . 1 . . . . 79 MET HE1 . 6930 1 1008 . 1 1 79 79 MET C C 13 175.960 0.3 . 1 . . . . 79 MET C . 6930 1 1009 . 1 1 79 79 MET CA C 13 58.600 0.3 . 1 . . . . 79 MET CA . 6930 1 1010 . 1 1 79 79 MET CB C 13 35.200 0.3 . 1 . . . . 79 MET CB . 6930 1 1011 . 1 1 79 79 MET CG C 13 33.330 0.3 . 1 . . . . 79 MET CG . 6930 1 1012 . 1 1 79 79 MET CE C 13 17.220 0.3 . 1 . . . . 79 MET CE . 6930 1 1013 . 1 1 79 79 MET N N 15 126.540 0.3 . 1 . . . . 79 MET N . 6930 1 1014 . 1 1 80 80 GLN H H 1 7.779 0.03 . 1 . . . . 80 GLN HN . 6930 1 1015 . 1 1 80 80 GLN HA H 1 4.855 0.03 . 1 . . . . 80 GLN HA . 6930 1 1016 . 1 1 80 80 GLN HB2 H 1 1.906 0.03 . 2 . . . . 80 GLN HB2 . 6930 1 1017 . 1 1 80 80 GLN HB3 H 1 1.988 0.03 . 2 . . . . 80 GLN HB3 . 6930 1 1018 . 1 1 80 80 GLN HG2 H 1 2.331 0.03 . 1 . . . . 80 GLN HG2 . 6930 1 1019 . 1 1 80 80 GLN HG3 H 1 2.331 0.03 . 1 . . . . 80 GLN HG3 . 6930 1 1020 . 1 1 80 80 GLN HE21 H 1 7.436 0.03 . 2 . . . . 80 GLN HE21 . 6930 1 1021 . 1 1 80 80 GLN HE22 H 1 6.837 0.03 . 2 . . . . 80 GLN HE22 . 6930 1 1022 . 1 1 80 80 GLN C C 13 174.820 0.3 . 1 . . . . 80 GLN C . 6930 1 1023 . 1 1 80 80 GLN CA C 13 54.550 0.3 . 1 . . . . 80 GLN CA . 6930 1 1024 . 1 1 80 80 GLN CB C 13 29.320 0.3 . 1 . . . . 80 GLN CB . 6930 1 1025 . 1 1 80 80 GLN CG C 13 33.660 0.3 . 1 . . . . 80 GLN CG . 6930 1 1026 . 1 1 80 80 GLN N N 15 122.810 0.3 . 1 . . . . 80 GLN N . 6930 1 1027 . 1 1 80 80 GLN NE2 N 15 111.360 0.3 . 1 . . . . 80 GLN NE2 . 6930 1 1028 . 1 1 81 81 ILE H H 1 9.682 0.03 . 1 . . . . 81 ILE HN . 6930 1 1029 . 1 1 81 81 ILE HA H 1 5.010 0.03 . 1 . . . . 81 ILE HA . 6930 1 1030 . 1 1 81 81 ILE HB H 1 1.528 0.03 . 1 . . . . 81 ILE HB . 6930 1 1031 . 1 1 81 81 ILE HG12 H 1 1.605 0.03 . 1 . . . . 81 ILE HG11 . 6930 1 1032 . 1 1 81 81 ILE HG13 H 1 1.605 0.03 . 1 . . . . 81 ILE HG12 . 6930 1 1033 . 1 1 81 81 ILE HG21 H 1 0.759 0.03 . 1 . . . . 81 ILE HG21 . 6930 1 1034 . 1 1 81 81 ILE HG22 H 1 0.759 0.03 . 1 . . . . 81 ILE HG21 . 6930 1 1035 . 1 1 81 81 ILE HG23 H 1 0.759 0.03 . 1 . . . . 81 ILE HG21 . 6930 1 1036 . 1 1 81 81 ILE HD11 H 1 0.846 0.03 . 1 . . . . 81 ILE HD11 . 6930 1 1037 . 1 1 81 81 ILE HD12 H 1 0.846 0.03 . 1 . . . . 81 ILE HD11 . 6930 1 1038 . 1 1 81 81 ILE HD13 H 1 0.846 0.03 . 1 . . . . 81 ILE HD11 . 6930 1 1039 . 1 1 81 81 ILE C C 13 174.710 0.3 . 1 . . . . 81 ILE C . 6930 1 1040 . 1 1 81 81 ILE CA C 13 60.900 0.3 . 1 . . . . 81 ILE CA . 6930 1 1041 . 1 1 81 81 ILE CB C 13 40.120 0.3 . 1 . . . . 81 ILE CB . 6930 1 1042 . 1 1 81 81 ILE CG1 C 13 28.080 0.3 . 1 . . . . 81 ILE CG1 . 6930 1 1043 . 1 1 81 81 ILE CG2 C 13 19.610 0.3 . 1 . . . . 81 ILE CG2 . 6930 1 1044 . 1 1 81 81 ILE CD1 C 13 14.390 0.3 . 1 . . . . 81 ILE CD1 . 6930 1 1045 . 1 1 81 81 ILE N N 15 126.070 0.3 . 1 . . . . 81 ILE N . 6930 1 1046 . 1 1 82 82 ALA H H 1 9.039 0.03 . 1 . . . . 82 ALA HN . 6930 1 1047 . 1 1 82 82 ALA HA H 1 4.620 0.03 . 1 . . . . 82 ALA HA . 6930 1 1048 . 1 1 82 82 ALA HB1 H 1 1.468 0.03 . 1 . . . . 82 ALA HB1 . 6930 1 1049 . 1 1 82 82 ALA HB2 H 1 1.468 0.03 . 1 . . . . 82 ALA HB1 . 6930 1 1050 . 1 1 82 82 ALA HB3 H 1 1.468 0.03 . 1 . . . . 82 ALA HB1 . 6930 1 1051 . 1 1 82 82 ALA C C 13 176.700 0.3 . 1 . . . . 82 ALA C . 6930 1 1052 . 1 1 82 82 ALA CA C 13 50.890 0.3 . 1 . . . . 82 ALA CA . 6930 1 1053 . 1 1 82 82 ALA CB C 13 23.420 0.3 . 1 . . . . 82 ALA CB . 6930 1 1054 . 1 1 82 82 ALA N N 15 130.310 0.3 . 1 . . . . 82 ALA N . 6930 1 1055 . 1 1 83 83 TYR H H 1 8.411 0.03 . 1 . . . . 83 TYR HN . 6930 1 1056 . 1 1 83 83 TYR HA H 1 4.905 0.03 . 1 . . . . 83 TYR HA . 6930 1 1057 . 1 1 83 83 TYR HB2 H 1 2.715 0.03 . 2 . . . . 83 TYR HB2 . 6930 1 1058 . 1 1 83 83 TYR HB3 H 1 3.210 0.03 . 2 . . . . 83 TYR HB3 . 6930 1 1059 . 1 1 83 83 TYR HD1 H 1 7.200 0.03 . 3 . . . . 83 TYR HD1 . 6930 1 1060 . 1 1 83 83 TYR HE1 H 1 6.710 0.03 . 3 . . . . 83 TYR HE1 . 6930 1 1061 . 1 1 83 83 TYR C C 13 176.900 0.3 . 1 . . . . 83 TYR C . 6930 1 1062 . 1 1 83 83 TYR CA C 13 59.280 0.3 . 1 . . . . 83 TYR CA . 6930 1 1063 . 1 1 83 83 TYR CB C 13 39.350 0.3 . 1 . . . . 83 TYR CB . 6930 1 1064 . 1 1 83 83 TYR CD1 C 13 132.960 0.3 . 3 . . . . 83 TYR CD1 . 6930 1 1065 . 1 1 83 83 TYR N N 15 118.580 0.3 . 1 . . . . 83 TYR N . 6930 1 1066 . 1 1 84 84 SER H H 1 8.452 0.03 . 1 . . . . 84 SER HN . 6930 1 1067 . 1 1 84 84 SER HA H 1 4.248 0.03 . 1 . . . . 84 SER HA . 6930 1 1068 . 1 1 84 84 SER HB2 H 1 3.792 0.03 . 2 . . . . 84 SER HB2 . 6930 1 1069 . 1 1 84 84 SER HB3 H 1 3.748 0.03 . 2 . . . . 84 SER HB3 . 6930 1 1070 . 1 1 84 84 SER C C 13 174.220 0.3 . 1 . . . . 84 SER C . 6930 1 1071 . 1 1 84 84 SER CA C 13 58.560 0.3 . 1 . . . . 84 SER CA . 6930 1 1072 . 1 1 84 84 SER CB C 13 64.100 0.3 . 1 . . . . 84 SER CB . 6930 1 1073 . 1 1 84 84 SER N N 15 115.040 0.3 . 1 . . . . 84 SER N . 6930 1 1074 . 1 1 85 85 LYS H H 1 8.443 0.03 . 1 . . . . 85 LYS HN . 6930 1 1075 . 1 1 85 85 LYS HA H 1 4.275 0.03 . 1 . . . . 85 LYS HA . 6930 1 1076 . 1 1 85 85 LYS HB2 H 1 1.742 0.03 . 1 . . . . 85 LYS HB2 . 6930 1 1077 . 1 1 85 85 LYS HB3 H 1 1.742 0.03 . 1 . . . . 85 LYS HB3 . 6930 1 1078 . 1 1 85 85 LYS HE2 H 1 2.993 0.03 . 1 . . . . 85 LYS HE2 . 6930 1 1079 . 1 1 85 85 LYS HE3 H 1 2.993 0.03 . 1 . . . . 85 LYS HE3 . 6930 1 1080 . 1 1 85 85 LYS C C 13 177.080 0.3 . 1 . . . . 85 LYS C . 6930 1 1081 . 1 1 85 85 LYS CA C 13 56.960 0.3 . 1 . . . . 85 LYS CA . 6930 1 1082 . 1 1 85 85 LYS CB C 13 33.150 0.3 . 1 . . . . 85 LYS CB . 6930 1 1083 . 1 1 85 85 LYS CG C 13 25.060 0.3 . 1 . . . . 85 LYS CG . 6930 1 1084 . 1 1 85 85 LYS CD C 13 29.170 0.3 . 1 . . . . 85 LYS CD . 6930 1 1085 . 1 1 85 85 LYS CE C 13 42.030 0.3 . 1 . . . . 85 LYS CE . 6930 1 1086 . 1 1 85 85 LYS N N 15 123.610 0.3 . 1 . . . . 85 LYS N . 6930 1 1087 . 1 1 86 86 SER H H 1 8.204 0.03 . 1 . . . . 86 SER HN . 6930 1 1088 . 1 1 86 86 SER HA H 1 4.335 0.03 . 1 . . . . 86 SER HA . 6930 1 1089 . 1 1 86 86 SER HB2 H 1 3.828 0.03 . 2 . . . . 86 SER HB2 . 6930 1 1090 . 1 1 86 86 SER C C 13 174.080 0.3 . 1 . . . . 86 SER C . 6930 1 1091 . 1 1 86 86 SER CA C 13 58.400 0.3 . 1 . . . . 86 SER CA . 6930 1 1092 . 1 1 86 86 SER CB C 13 63.750 0.3 . 1 . . . . 86 SER CB . 6930 1 1093 . 1 1 86 86 SER N N 15 115.780 0.3 . 1 . . . . 86 SER N . 6930 1 1094 . 1 1 87 87 ASP H H 1 8.435 0.03 . 1 . . . . 87 ASP HN . 6930 1 1095 . 1 1 87 87 ASP HA H 1 4.578 0.03 . 1 . . . . 87 ASP HA . 6930 1 1096 . 1 1 87 87 ASP HB2 H 1 2.585 0.03 . 2 . . . . 87 ASP HB2 . 6930 1 1097 . 1 1 87 87 ASP HB3 H 1 2.653 0.03 . 2 . . . . 87 ASP HB3 . 6930 1 1098 . 1 1 87 87 ASP C C 13 176.630 0.3 . 1 . . . . 87 ASP C . 6930 1 1099 . 1 1 87 87 ASP CA C 13 54.260 0.3 . 1 . . . . 87 ASP CA . 6930 1 1100 . 1 1 87 87 ASP CB C 13 40.780 0.3 . 1 . . . . 87 ASP CB . 6930 1 1101 . 1 1 87 87 ASP N N 15 121.910 0.3 . 1 . . . . 87 ASP N . 6930 1 1102 . 1 1 88 88 SER H H 1 8.061 0.03 . 1 . . . . 88 SER HN . 6930 1 1103 . 1 1 88 88 SER HA H 1 4.328 0.03 . 1 . . . . 88 SER HA . 6930 1 1104 . 1 1 88 88 SER HB2 H 1 3.823 0.03 . 2 . . . . 88 SER HB2 . 6930 1 1105 . 1 1 88 88 SER HB3 H 1 3.962 0.03 . 2 . . . . 88 SER HB3 . 6930 1 1106 . 1 1 88 88 SER C C 13 174.840 0.3 . 1 . . . . 88 SER C . 6930 1 1107 . 1 1 88 88 SER CA C 13 58.800 0.3 . 1 . . . . 88 SER CA . 6930 1 1108 . 1 1 88 88 SER CB C 13 63.870 0.3 . 1 . . . . 88 SER CB . 6930 1 1109 . 1 1 88 88 SER N N 15 116.440 0.3 . 1 . . . . 88 SER N . 6930 1 1110 . 1 1 89 89 ASP H H 1 8.556 0.03 . 1 . . . . 89 ASP HN . 6930 1 1111 . 1 1 89 89 ASP HA H 1 4.460 0.03 . 1 . . . . 89 ASP HA . 6930 1 1112 . 1 1 89 89 ASP HB2 H 1 2.634 0.03 . 1 . . . . 89 ASP HB2 . 6930 1 1113 . 1 1 89 89 ASP HB3 H 1 2.634 0.03 . 1 . . . . 89 ASP HB3 . 6930 1 1114 . 1 1 89 89 ASP C C 13 177.450 0.3 . 1 . . . . 89 ASP C . 6930 1 1115 . 1 1 89 89 ASP CA C 13 56.110 0.3 . 1 . . . . 89 ASP CA . 6930 1 1116 . 1 1 89 89 ASP CB C 13 40.500 0.3 . 1 . . . . 89 ASP CB . 6930 1 1117 . 1 1 89 89 ASP N N 15 123.080 0.3 . 1 . . . . 89 ASP N . 6930 1 1118 . 1 1 90 90 ILE H H 1 7.756 0.03 . 1 . . . . 90 ILE HN . 6930 1 1119 . 1 1 90 90 ILE HA H 1 3.829 0.03 . 1 . . . . 90 ILE HA . 6930 1 1120 . 1 1 90 90 ILE HB H 1 1.735 0.03 . 1 . . . . 90 ILE HB . 6930 1 1121 . 1 1 90 90 ILE HG12 H 1 1.372 0.03 . 1 . . . . 90 ILE HG11 . 6930 1 1122 . 1 1 90 90 ILE HG13 H 1 1.040 0.03 . 1 . . . . 90 ILE HG12 . 6930 1 1123 . 1 1 90 90 ILE HG21 H 1 0.774 0.03 . 1 . . . . 90 ILE HG21 . 6930 1 1124 . 1 1 90 90 ILE HG22 H 1 0.774 0.03 . 1 . . . . 90 ILE HG21 . 6930 1 1125 . 1 1 90 90 ILE HG23 H 1 0.774 0.03 . 1 . . . . 90 ILE HG21 . 6930 1 1126 . 1 1 90 90 ILE HD11 H 1 0.745 0.03 . 1 . . . . 90 ILE HD11 . 6930 1 1127 . 1 1 90 90 ILE HD12 H 1 0.745 0.03 . 1 . . . . 90 ILE HD11 . 6930 1 1128 . 1 1 90 90 ILE HD13 H 1 0.745 0.03 . 1 . . . . 90 ILE HD11 . 6930 1 1129 . 1 1 90 90 ILE C C 13 177.060 0.3 . 1 . . . . 90 ILE C . 6930 1 1130 . 1 1 90 90 ILE CA C 13 63.070 0.3 . 1 . . . . 90 ILE CA . 6930 1 1131 . 1 1 90 90 ILE CB C 13 38.290 0.3 . 1 . . . . 90 ILE CB . 6930 1 1132 . 1 1 90 90 ILE CG1 C 13 28.090 0.3 . 1 . . . . 90 ILE CG1 . 6930 1 1133 . 1 1 90 90 ILE CG2 C 13 17.660 0.3 . 1 . . . . 90 ILE CG2 . 6930 1 1134 . 1 1 90 90 ILE CD1 C 13 13.070 0.3 . 1 . . . . 90 ILE CD1 . 6930 1 1135 . 1 1 90 90 ILE N N 15 119.250 0.3 . 1 . . . . 90 ILE N . 6930 1 1136 . 1 1 91 91 VAL H H 1 7.459 0.03 . 1 . . . . 91 VAL HN . 6930 1 1137 . 1 1 91 91 VAL HA H 1 3.613 0.03 . 1 . . . . 91 VAL HA . 6930 1 1138 . 1 1 91 91 VAL HB H 1 1.942 0.03 . 1 . . . . 91 VAL HB . 6930 1 1139 . 1 1 91 91 VAL HG11 H 1 0.778 0.03 . 2 . . . . 91 VAL HG11 . 6930 1 1140 . 1 1 91 91 VAL HG12 H 1 0.778 0.03 . 2 . . . . 91 VAL HG11 . 6930 1 1141 . 1 1 91 91 VAL HG13 H 1 0.778 0.03 . 2 . . . . 91 VAL HG11 . 6930 1 1142 . 1 1 91 91 VAL HG21 H 1 0.837 0.03 . 2 . . . . 91 VAL HG21 . 6930 1 1143 . 1 1 91 91 VAL HG22 H 1 0.837 0.03 . 2 . . . . 91 VAL HG21 . 6930 1 1144 . 1 1 91 91 VAL HG23 H 1 0.837 0.03 . 2 . . . . 91 VAL HG21 . 6930 1 1145 . 1 1 91 91 VAL C C 13 177.080 0.3 . 1 . . . . 91 VAL C . 6930 1 1146 . 1 1 91 91 VAL CA C 13 65.250 0.3 . 1 . . . . 91 VAL CA . 6930 1 1147 . 1 1 91 91 VAL CB C 13 31.970 0.3 . 1 . . . . 91 VAL CB . 6930 1 1148 . 1 1 91 91 VAL CG1 C 13 22.100 0.3 . 1 . . . . 91 VAL CG1 . 6930 1 1149 . 1 1 91 91 VAL CG2 C 13 21.160 0.3 . 1 . . . . 91 VAL CG2 . 6930 1 1150 . 1 1 91 91 VAL N N 15 121.040 0.3 . 1 . . . . 91 VAL N . 6930 1 1151 . 1 1 92 92 ALA H H 1 8.076 0.03 . 1 . . . . 92 ALA HN . 6930 1 1152 . 1 1 92 92 ALA HA H 1 4.098 0.03 . 1 . . . . 92 ALA HA . 6930 1 1153 . 1 1 92 92 ALA HB1 H 1 1.416 0.03 . 1 . . . . 92 ALA HB1 . 6930 1 1154 . 1 1 92 92 ALA HB2 H 1 1.416 0.03 . 1 . . . . 92 ALA HB1 . 6930 1 1155 . 1 1 92 92 ALA HB3 H 1 1.416 0.03 . 1 . . . . 92 ALA HB1 . 6930 1 1156 . 1 1 92 92 ALA C C 13 179.510 0.3 . 1 . . . . 92 ALA C . 6930 1 1157 . 1 1 92 92 ALA CA C 13 54.180 0.3 . 1 . . . . 92 ALA CA . 6930 1 1158 . 1 1 92 92 ALA CB C 13 18.660 0.3 . 1 . . . . 92 ALA CB . 6930 1 1159 . 1 1 92 92 ALA N N 15 122.880 0.3 . 1 . . . . 92 ALA N . 6930 1 1160 . 1 1 93 93 LYS H H 1 7.946 0.03 . 1 . . . . 93 LYS HN . 6930 1 1161 . 1 1 93 93 LYS HA H 1 4.136 0.03 . 1 . . . . 93 LYS HA . 6930 1 1162 . 1 1 93 93 LYS HB2 H 1 1.836 0.03 . 1 . . . . 93 LYS HB2 . 6930 1 1163 . 1 1 93 93 LYS HB3 H 1 1.836 0.03 . 1 . . . . 93 LYS HB3 . 6930 1 1164 . 1 1 93 93 LYS HG2 H 1 1.318 0.03 . 2 . . . . 93 LYS HG2 . 6930 1 1165 . 1 1 93 93 LYS HG3 H 1 1.445 0.03 . 2 . . . . 93 LYS HG3 . 6930 1 1166 . 1 1 93 93 LYS HD2 H 1 1.580 0.03 . 1 . . . . 93 LYS HD2 . 6930 1 1167 . 1 1 93 93 LYS HD3 H 1 1.580 0.03 . 1 . . . . 93 LYS HD3 . 6930 1 1168 . 1 1 93 93 LYS HE2 H 1 2.790 0.03 . 1 . . . . 93 LYS HE2 . 6930 1 1169 . 1 1 93 93 LYS HE3 H 1 2.790 0.03 . 1 . . . . 93 LYS HE3 . 6930 1 1170 . 1 1 93 93 LYS C C 13 178.300 0.3 . 1 . . . . 93 LYS C . 6930 1 1171 . 1 1 93 93 LYS CA C 13 58.000 0.3 . 1 . . . . 93 LYS CA . 6930 1 1172 . 1 1 93 93 LYS CB C 13 32.550 0.3 . 1 . . . . 93 LYS CB . 6930 1 1173 . 1 1 93 93 LYS CG C 13 25.410 0.3 . 1 . . . . 93 LYS CG . 6930 1 1174 . 1 1 93 93 LYS CD C 13 29.240 0.3 . 1 . . . . 93 LYS CD . 6930 1 1175 . 1 1 93 93 LYS CE C 13 42.040 0.3 . 1 . . . . 93 LYS CE . 6930 1 1176 . 1 1 93 93 LYS N N 15 118.800 0.3 . 1 . . . . 93 LYS N . 6930 1 1177 . 1 1 94 94 ILE H H 1 7.894 0.03 . 1 . . . . 94 ILE HN . 6930 1 1178 . 1 1 94 94 ILE HA H 1 3.906 0.03 . 1 . . . . 94 ILE HA . 6930 1 1179 . 1 1 94 94 ILE HB H 1 1.869 0.03 . 1 . . . . 94 ILE HB . 6930 1 1180 . 1 1 94 94 ILE HG12 H 1 1.148 0.03 . 1 . . . . 94 ILE HG11 . 6930 1 1181 . 1 1 94 94 ILE HG13 H 1 1.575 0.03 . 1 . . . . 94 ILE HG12 . 6930 1 1182 . 1 1 94 94 ILE HG21 H 1 0.855 0.03 . 1 . . . . 94 ILE HG21 . 6930 1 1183 . 1 1 94 94 ILE HG22 H 1 0.855 0.03 . 1 . . . . 94 ILE HG21 . 6930 1 1184 . 1 1 94 94 ILE HG23 H 1 0.855 0.03 . 1 . . . . 94 ILE HG21 . 6930 1 1185 . 1 1 94 94 ILE HD11 H 1 0.750 0.03 . 1 . . . . 94 ILE HD11 . 6930 1 1186 . 1 1 94 94 ILE HD12 H 1 0.750 0.03 . 1 . . . . 94 ILE HD11 . 6930 1 1187 . 1 1 94 94 ILE HD13 H 1 0.750 0.03 . 1 . . . . 94 ILE HD11 . 6930 1 1188 . 1 1 94 94 ILE C C 13 177.720 0.3 . 1 . . . . 94 ILE C . 6930 1 1189 . 1 1 94 94 ILE CA C 13 63.200 0.3 . 1 . . . . 94 ILE CA . 6930 1 1190 . 1 1 94 94 ILE CB C 13 38.330 0.3 . 1 . . . . 94 ILE CB . 6930 1 1191 . 1 1 94 94 ILE CG1 C 13 28.250 0.3 . 1 . . . . 94 ILE CG1 . 6930 1 1192 . 1 1 94 94 ILE CG2 C 13 17.630 0.3 . 1 . . . . 94 ILE CG2 . 6930 1 1193 . 1 1 94 94 ILE CD1 C 13 13.600 0.3 . 1 . . . . 94 ILE CD1 . 6930 1 1194 . 1 1 94 94 ILE N N 15 120.760 0.3 . 1 . . . . 94 ILE N . 6930 1 1195 . 1 1 95 95 LYS H H 1 8.310 0.03 . 1 . . . . 95 LYS HN . 6930 1 1196 . 1 1 95 95 LYS HA H 1 4.083 0.03 . 1 . . . . 95 LYS HA . 6930 1 1197 . 1 1 95 95 LYS HB2 H 1 1.836 0.03 . 1 . . . . 95 LYS HB2 . 6930 1 1198 . 1 1 95 95 LYS HB3 H 1 1.836 0.03 . 1 . . . . 95 LYS HB3 . 6930 1 1199 . 1 1 95 95 LYS HG2 H 1 1.331 0.03 . 2 . . . . 95 LYS HG2 . 6930 1 1200 . 1 1 95 95 LYS HG3 H 1 1.435 0.03 . 2 . . . . 95 LYS HG3 . 6930 1 1201 . 1 1 95 95 LYS HD2 H 1 1.608 0.03 . 1 . . . . 95 LYS HD2 . 6930 1 1202 . 1 1 95 95 LYS HD3 H 1 1.608 0.03 . 1 . . . . 95 LYS HD3 . 6930 1 1203 . 1 1 95 95 LYS HE2 H 1 2.899 0.03 . 1 . . . . 95 LYS HE2 . 6930 1 1204 . 1 1 95 95 LYS HE3 H 1 2.899 0.03 . 1 . . . . 95 LYS HE3 . 6930 1 1205 . 1 1 95 95 LYS C C 13 177.660 0.3 . 1 . . . . 95 LYS C . 6930 1 1206 . 1 1 95 95 LYS CA C 13 57.930 0.3 . 1 . . . . 95 LYS CA . 6930 1 1207 . 1 1 95 95 LYS CB C 13 32.860 0.3 . 1 . . . . 95 LYS CB . 6930 1 1208 . 1 1 95 95 LYS CG C 13 25.380 0.3 . 1 . . . . 95 LYS CG . 6930 1 1209 . 1 1 95 95 LYS CD C 13 29.300 0.3 . 1 . . . . 95 LYS CD . 6930 1 1210 . 1 1 95 95 LYS CE C 13 41.790 0.3 . 1 . . . . 95 LYS CE . 6930 1 1211 . 1 1 95 95 LYS N N 15 121.330 0.3 . 1 . . . . 95 LYS N . 6930 1 1212 . 1 1 96 96 GLY H H 1 8.122 0.03 . 1 . . . . 96 GLY HN . 6930 1 1213 . 1 1 96 96 GLY HA2 H 1 3.999 0.03 . 1 . . . . 96 GLY HA2 . 6930 1 1214 . 1 1 96 96 GLY HA3 H 1 3.999 0.03 . 1 . . . . 96 GLY HA3 . 6930 1 1215 . 1 1 96 96 GLY C C 13 174.640 0.3 . 1 . . . . 96 GLY C . 6930 1 1216 . 1 1 96 96 GLY CA C 13 45.660 0.3 . 1 . . . . 96 GLY CA . 6930 1 1217 . 1 1 96 96 GLY N N 15 107.870 0.3 . 1 . . . . 96 GLY N . 6930 1 1218 . 1 1 97 97 THR H H 1 7.968 0.03 . 1 . . . . 97 THR HN . 6930 1 1219 . 1 1 97 97 THR HA H 1 4.294 0.03 . 1 . . . . 97 THR HA . 6930 1 1220 . 1 1 97 97 THR HB H 1 4.198 0.03 . 1 . . . . 97 THR HB . 6930 1 1221 . 1 1 97 97 THR HG21 H 1 1.126 0.03 . 1 . . . . 97 THR HG21 . 6930 1 1222 . 1 1 97 97 THR HG22 H 1 1.126 0.03 . 1 . . . . 97 THR HG21 . 6930 1 1223 . 1 1 97 97 THR HG23 H 1 1.126 0.03 . 1 . . . . 97 THR HG21 . 6930 1 1224 . 1 1 97 97 THR C C 13 174.590 0.3 . 1 . . . . 97 THR C . 6930 1 1225 . 1 1 97 97 THR CA C 13 62.160 0.3 . 1 . . . . 97 THR CA . 6930 1 1226 . 1 1 97 97 THR CB C 13 69.630 0.3 . 1 . . . . 97 THR CB . 6930 1 1227 . 1 1 97 97 THR CG2 C 13 21.560 0.3 . 1 . . . . 97 THR CG2 . 6930 1 1228 . 1 1 97 97 THR N N 15 112.820 0.3 . 1 . . . . 97 THR N . 6930 1 1229 . 1 1 98 98 PHE H H 1 7.938 0.03 . 1 . . . . 98 PHE HN . 6930 1 1230 . 1 1 98 98 PHE HA H 1 4.552 0.03 . 1 . . . . 98 PHE HA . 6930 1 1231 . 1 1 98 98 PHE HB2 H 1 2.982 0.03 . 2 . . . . 98 PHE HB2 . 6930 1 1232 . 1 1 98 98 PHE HB3 H 1 3.106 0.03 . 2 . . . . 98 PHE HB3 . 6930 1 1233 . 1 1 98 98 PHE HD1 H 1 7.232 0.03 . 3 . . . . 98 PHE HD1 . 6930 1 1234 . 1 1 98 98 PHE HE1 H 1 7.520 0.03 . 3 . . . . 98 PHE HE1 . 6930 1 1235 . 1 1 98 98 PHE C C 13 175.370 0.3 . 1 . . . . 98 PHE C . 6930 1 1236 . 1 1 98 98 PHE CA C 13 58.150 0.3 . 1 . . . . 98 PHE CA . 6930 1 1237 . 1 1 98 98 PHE CB C 13 39.550 0.3 . 1 . . . . 98 PHE CB . 6930 1 1238 . 1 1 98 98 PHE CD1 C 13 131.820 0.3 . 3 . . . . 98 PHE CD1 . 6930 1 1239 . 1 1 98 98 PHE N N 15 122.400 0.3 . 1 . . . . 98 PHE N . 6930 1 1240 . 1 1 99 99 LYS H H 1 7.986 0.03 . 1 . . . . 99 LYS HN . 6930 1 1241 . 1 1 99 99 LYS HA H 1 4.242 0.03 . 1 . . . . 99 LYS HA . 6930 1 1242 . 1 1 99 99 LYS HB2 H 1 1.677 0.03 . 1 . . . . 99 LYS HB2 . 6930 1 1243 . 1 1 99 99 LYS HB3 H 1 1.677 0.03 . 1 . . . . 99 LYS HB3 . 6930 1 1244 . 1 1 99 99 LYS HG2 H 1 1.363 0.03 . 1 . . . . 99 LYS HG2 . 6930 1 1245 . 1 1 99 99 LYS HG3 H 1 1.363 0.03 . 1 . . . . 99 LYS HG3 . 6930 1 1246 . 1 1 99 99 LYS HD2 H 1 1.740 0.03 . 2 . . . . 99 LYS HD2 . 6930 1 1247 . 1 1 99 99 LYS HD3 H 1 1.653 0.03 . 2 . . . . 99 LYS HD3 . 6930 1 1248 . 1 1 99 99 LYS HE2 H 1 3.056 0.03 . 2 . . . . 99 LYS HE2 . 6930 1 1249 . 1 1 99 99 LYS HE3 H 1 2.979 0.03 . 2 . . . . 99 LYS HE3 . 6930 1 1250 . 1 1 99 99 LYS C C 13 175.750 0.3 . 1 . . . . 99 LYS C . 6930 1 1251 . 1 1 99 99 LYS CA C 13 56.030 0.3 . 1 . . . . 99 LYS CA . 6930 1 1252 . 1 1 99 99 LYS CB C 13 33.390 0.3 . 1 . . . . 99 LYS CB . 6930 1 1253 . 1 1 99 99 LYS CG C 13 24.490 0.3 . 1 . . . . 99 LYS CG . 6930 1 1254 . 1 1 99 99 LYS CD C 13 29.960 0.3 . 1 . . . . 99 LYS CD . 6930 1 1255 . 1 1 99 99 LYS CE C 13 42.080 0.3 . 1 . . . . 99 LYS CE . 6930 1 1256 . 1 1 99 99 LYS N N 15 123.810 0.3 . 1 . . . . 99 LYS N . 6930 1 1257 . 1 1 100 100 GLU H H 1 8.247 0.03 . 1 . . . . 100 GLU HN . 6930 1 1258 . 1 1 100 100 GLU HA H 1 4.202 0.03 . 1 . . . . 100 GLU HA . 6930 1 1259 . 1 1 100 100 GLU HB2 H 1 1.919 0.03 . 2 . . . . 100 GLU HB2 . 6930 1 1260 . 1 1 100 100 GLU HB3 H 1 2.012 0.03 . 2 . . . . 100 GLU HB3 . 6930 1 1261 . 1 1 100 100 GLU HG2 H 1 2.265 0.03 . 2 . . . . 100 GLU HG2 . 6930 1 1262 . 1 1 100 100 GLU HG3 H 1 2.278 0.03 . 2 . . . . 100 GLU HG3 . 6930 1 1263 . 1 1 100 100 GLU C C 13 176.210 0.3 . 1 . . . . 100 GLU C . 6930 1 1264 . 1 1 100 100 GLU CA C 13 56.270 0.3 . 1 . . . . 100 GLU CA . 6930 1 1265 . 1 1 100 100 GLU CB C 13 30.550 0.3 . 1 . . . . 100 GLU CB . 6930 1 1266 . 1 1 100 100 GLU CG C 13 36.240 0.3 . 1 . . . . 100 GLU CG . 6930 1 1267 . 1 1 100 100 GLU N N 15 122.270 0.3 . 1 . . . . 100 GLU N . 6930 1 1268 . 1 1 101 101 ARG H H 1 8.415 0.03 . 1 . . . . 101 ARG HN . 6930 1 1269 . 1 1 101 101 ARG HA H 1 4.590 0.03 . 1 . . . . 101 ARG HA . 6930 1 1270 . 1 1 101 101 ARG HB2 H 1 1.750 0.03 . 2 . . . . 101 ARG HB2 . 6930 1 1271 . 1 1 101 101 ARG HB3 H 1 1.855 0.03 . 2 . . . . 101 ARG HB3 . 6930 1 1272 . 1 1 101 101 ARG HG2 H 1 1.691 0.03 . 1 . . . . 101 ARG HG2 . 6930 1 1273 . 1 1 101 101 ARG HG3 H 1 1.691 0.03 . 1 . . . . 101 ARG HG3 . 6930 1 1274 . 1 1 101 101 ARG HD2 H 1 3.212 0.03 . 1 . . . . 101 ARG HD2 . 6930 1 1275 . 1 1 101 101 ARG HD3 H 1 3.212 0.03 . 1 . . . . 101 ARG HD3 . 6930 1 1276 . 1 1 101 101 ARG CA C 13 53.980 0.3 . 1 . . . . 101 ARG CA . 6930 1 1277 . 1 1 101 101 ARG CB C 13 30.070 0.3 . 1 . . . . 101 ARG CB . 6930 1 1278 . 1 1 101 101 ARG CG C 13 26.910 0.3 . 1 . . . . 101 ARG CG . 6930 1 1279 . 1 1 101 101 ARG CD C 13 43.430 0.3 . 1 . . . . 101 ARG CD . 6930 1 1280 . 1 1 101 101 ARG N N 15 123.970 0.3 . 1 . . . . 101 ARG N . 6930 1 1281 . 1 1 102 102 PRO HA H 1 4.421 0.03 . 1 . . . . 102 PRO HA . 6930 1 1282 . 1 1 102 102 PRO HB2 H 1 1.893 0.03 . 2 . . . . 102 PRO HB2 . 6930 1 1283 . 1 1 102 102 PRO HB3 H 1 2.305 0.03 . 2 . . . . 102 PRO HB3 . 6930 1 1284 . 1 1 102 102 PRO HG2 H 1 2.020 0.03 . 1 . . . . 102 PRO HG2 . 6930 1 1285 . 1 1 102 102 PRO HG3 H 1 2.020 0.03 . 1 . . . . 102 PRO HG3 . 6930 1 1286 . 1 1 102 102 PRO HD2 H 1 3.624 0.03 . 2 . . . . 102 PRO HD2 . 6930 1 1287 . 1 1 102 102 PRO HD3 H 1 3.807 0.03 . 2 . . . . 102 PRO HD3 . 6930 1 1288 . 1 1 102 102 PRO C C 13 176.700 0.3 . 1 . . . . 102 PRO C . 6930 1 1289 . 1 1 102 102 PRO CA C 13 63.090 0.3 . 1 . . . . 102 PRO CA . 6930 1 1290 . 1 1 102 102 PRO CB C 13 32.160 0.3 . 1 . . . . 102 PRO CB . 6930 1 1291 . 1 1 102 102 PRO CG C 13 27.360 0.3 . 1 . . . . 102 PRO CG . 6930 1 1292 . 1 1 102 102 PRO CD C 13 50.760 0.3 . 1 . . . . 102 PRO CD . 6930 1 1293 . 1 1 103 103 LYS H H 1 8.445 0.03 . 1 . . . . 103 LYS HN . 6930 1 1294 . 1 1 103 103 LYS HA H 1 4.294 0.03 . 1 . . . . 103 LYS HA . 6930 1 1295 . 1 1 103 103 LYS HB2 H 1 1.856 0.03 . 1 . . . . 103 LYS HB2 . 6930 1 1296 . 1 1 103 103 LYS HB3 H 1 1.856 0.03 . 1 . . . . 103 LYS HB3 . 6930 1 1297 . 1 1 103 103 LYS HG2 H 1 1.474 0.03 . 1 . . . . 103 LYS HG2 . 6930 1 1298 . 1 1 103 103 LYS HG3 H 1 1.474 0.03 . 1 . . . . 103 LYS HG3 . 6930 1 1299 . 1 1 103 103 LYS HD2 H 1 1.692 0.03 . 1 . . . . 103 LYS HD2 . 6930 1 1300 . 1 1 103 103 LYS HD3 H 1 1.692 0.03 . 1 . . . . 103 LYS HD3 . 6930 1 1301 . 1 1 103 103 LYS HE2 H 1 3.014 0.03 . 1 . . . . 103 LYS HE2 . 6930 1 1302 . 1 1 103 103 LYS HE3 H 1 3.014 0.03 . 1 . . . . 103 LYS HE3 . 6930 1 1303 . 1 1 103 103 LYS C C 13 175.690 0.3 . 1 . . . . 103 LYS C . 6930 1 1304 . 1 1 103 103 LYS CA C 13 56.380 0.3 . 1 . . . . 103 LYS CA . 6930 1 1305 . 1 1 103 103 LYS CB C 13 33.150 0.3 . 1 . . . . 103 LYS CB . 6930 1 1306 . 1 1 103 103 LYS CG C 13 24.710 0.3 . 1 . . . . 103 LYS CG . 6930 1 1307 . 1 1 103 103 LYS CD C 13 29.180 0.3 . 1 . . . . 103 LYS CD . 6930 1 1308 . 1 1 103 103 LYS CE C 13 42.040 0.3 . 1 . . . . 103 LYS CE . 6930 1 1309 . 1 1 103 103 LYS N N 15 122.480 0.3 . 1 . . . . 103 LYS N . 6930 1 1310 . 1 1 104 104 LYS H H 1 7.926 0.03 . 1 . . . . 104 LYS HN . 6930 1 1311 . 1 1 104 104 LYS HA H 1 4.153 0.03 . 1 . . . . 104 LYS HA . 6930 1 1312 . 1 1 104 104 LYS HB2 H 1 1.703 0.03 . 2 . . . . 104 LYS HB2 . 6930 1 1313 . 1 1 104 104 LYS HB3 H 1 1.794 0.03 . 2 . . . . 104 LYS HB3 . 6930 1 1314 . 1 1 104 104 LYS HG2 H 1 1.373 0.03 . 1 . . . . 104 LYS HG2 . 6930 1 1315 . 1 1 104 104 LYS HG3 H 1 1.373 0.03 . 1 . . . . 104 LYS HG3 . 6930 1 1316 . 1 1 104 104 LYS HD2 H 1 1.675 0.03 . 1 . . . . 104 LYS HD2 . 6930 1 1317 . 1 1 104 104 LYS HD3 H 1 1.675 0.03 . 1 . . . . 104 LYS HD3 . 6930 1 1318 . 1 1 104 104 LYS HE2 H 1 2.989 0.03 . 1 . . . . 104 LYS HE2 . 6930 1 1319 . 1 1 104 104 LYS HE3 H 1 2.989 0.03 . 1 . . . . 104 LYS HE3 . 6930 1 1320 . 1 1 104 104 LYS CA C 13 57.730 0.3 . 1 . . . . 104 LYS CA . 6930 1 1321 . 1 1 104 104 LYS CB C 13 33.780 0.3 . 1 . . . . 104 LYS CB . 6930 1 1322 . 1 1 104 104 LYS CG C 13 24.740 0.3 . 1 . . . . 104 LYS CG . 6930 1 1323 . 1 1 104 104 LYS CD C 13 29.240 0.3 . 1 . . . . 104 LYS CD . 6930 1 1324 . 1 1 104 104 LYS CE C 13 42.050 0.3 . 1 . . . . 104 LYS CE . 6930 1 1325 . 1 1 104 104 LYS N N 15 127.670 0.3 . 1 . . . . 104 LYS N . 6930 1 stop_ save_