data_6431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6431 _Entry.Title ; 1H, 13C and 15N assignments for the II-III loop region of the skeletal dyhydropyridine receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-13 _Entry.Accession_date 2004-12-14 _Entry.Last_release_date 2005-08-16 _Entry.Original_release_date 2005-08-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Yanfang Cui . . . 6431 2 Yamuna Karunasekara . . . 6431 3 Peta Harvey . J. . 6431 4 Philip Board . G. . 6431 5 Angela Dulhunty . F. . 6431 6 Marco Casarotto . G. . 6431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 6431 '15N chemical shifts' 110 6431 '1H chemical shifts' 813 6431 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-08-16 2004-12-13 original author . 6431 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6431 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16041487 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N assignments for the II-III loop region of the skeletal dyhydropyridine receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 1 _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 89 _Citation.Page_last 90 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yanfang Cui . . . 6431 1 2 Yamuna Karunasekara . . . 6431 1 3 Peta Harvey . J. . 6431 1 4 Philip Board . G. . 6431 1 5 Angela Dulhunty . F. . 6431 1 6 Marco Casarotto . G. . 6431 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DHPR-RyR interaction' 6431 1 'Excitation- contraction coupling' 6431 1 NMR 6431 1 protein 6431 1 'skeletal muscle' 6431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DHPR_II-III_loop _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DHPR_II-III_loop _Assembly.Entry_ID 6431 _Assembly.ID 1 _Assembly.Name 'II-III loop region of the skeletal dyhydropyridine receptor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 monomer 6431 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 'II-III loop' 1 $DHPR_II-III_loop . . . native . . . . . 6431 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DHPR II-III loop' abbreviation 6431 1 'II-III loop region of the skeletal dyhydropyridine receptor' system 6431 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; In skeletal muscle the II-III loop forms a physical interaction with the foot region of the ryanodine receptor (RyR) and any structural change in the II-III loop structure is thought to be transmitted to the RyR via this interaction. ; 6431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DHPR_II-III_loop _Entity.Sf_category entity _Entity.Sf_framecode DHPR_II-III_loop _Entity.Entry_ID 6431 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'II-III loop region of the skeletal dyhydropyridine receptor' _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 ; EAESLTSAQKAKAEERKRRK MSRGLPDKTEEEKSVMAKKL EQKPKGEGIPTTAKLKVDEF ESNVNEVKDPYPSADFPGDD EEDEPEIPVSPRPRPLAELQ LKEKAVPIPEASSFFIFSPT NKVRVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 14134 _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 EMBL CAA29355 . "unnamed protein product [Oryctolagus cuniculus]" . . . . . 100.00 1873 100.00 100.00 5.24e-77 . . . . 6431 1 2 no GB AAA31159 . "dihydropyridine calcium channel receptor protein [Oryctolagus cuniculus]" . . . . . 100.00 1873 99.21 99.21 3.39e-76 . . . . 6431 1 3 no PRF 1310328A . "Ca channel blocker receptor" . . . . . 100.00 1873 100.00 100.00 5.24e-77 . . . . 6431 1 4 no REF NP_001095190 . "voltage-dependent L-type calcium channel subunit alpha-1S [Oryctolagus cuniculus]" . . . . . 100.00 1873 100.00 100.00 5.24e-77 . . . . 6431 1 5 no REF XP_004578840 . "PREDICTED: voltage-dependent L-type calcium channel subunit alpha-1S [Ochotona princeps]" . . . . . 100.00 1873 97.62 100.00 2.00e-76 . . . . 6431 1 6 no SP P07293 . "RecName: Full=Voltage-dependent L-type calcium channel subunit alpha-1S; AltName: Full=Calcium channel, L type, alpha-1 polypep" . . . . . 100.00 1873 100.00 100.00 5.24e-77 . . . . 6431 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DHPR II-III loop' abbreviation 6431 1 'II-III loop region of the skeletal dyhydropyridine receptor' common 6431 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 . GLU . 6431 1 2 . ALA . 6431 1 3 . GLU . 6431 1 4 . SER . 6431 1 5 . LEU . 6431 1 6 . THR . 6431 1 7 . SER . 6431 1 8 . ALA . 6431 1 9 . GLN . 6431 1 10 . LYS . 6431 1 11 . ALA . 6431 1 12 . LYS . 6431 1 13 . ALA . 6431 1 14 . GLU . 6431 1 15 . GLU . 6431 1 16 . ARG . 6431 1 17 . LYS . 6431 1 18 . ARG . 6431 1 19 . ARG . 6431 1 20 . LYS . 6431 1 21 . MET . 6431 1 22 . SER . 6431 1 23 . ARG . 6431 1 24 . GLY . 6431 1 25 . LEU . 6431 1 26 . PRO . 6431 1 27 . ASP . 6431 1 28 . LYS . 6431 1 29 . THR . 6431 1 30 . GLU . 6431 1 31 . GLU . 6431 1 32 . GLU . 6431 1 33 . LYS . 6431 1 34 . SER . 6431 1 35 . VAL . 6431 1 36 . MET . 6431 1 37 . ALA . 6431 1 38 . LYS . 6431 1 39 . LYS . 6431 1 40 . LEU . 6431 1 41 . GLU . 6431 1 42 . GLN . 6431 1 43 . LYS . 6431 1 44 . PRO . 6431 1 45 . LYS . 6431 1 46 . GLY . 6431 1 47 . GLU . 6431 1 48 . GLY . 6431 1 49 . ILE . 6431 1 50 . PRO . 6431 1 51 . THR . 6431 1 52 . THR . 6431 1 53 . ALA . 6431 1 54 . LYS . 6431 1 55 . LEU . 6431 1 56 . LYS . 6431 1 57 . VAL . 6431 1 58 . ASP . 6431 1 59 . GLU . 6431 1 60 . PHE . 6431 1 61 . GLU . 6431 1 62 . SER . 6431 1 63 . ASN . 6431 1 64 . VAL . 6431 1 65 . ASN . 6431 1 66 . GLU . 6431 1 67 . VAL . 6431 1 68 . LYS . 6431 1 69 . ASP . 6431 1 70 . PRO . 6431 1 71 . TYR . 6431 1 72 . PRO . 6431 1 73 . SER . 6431 1 74 . ALA . 6431 1 75 . ASP . 6431 1 76 . PHE . 6431 1 77 . PRO . 6431 1 78 . GLY . 6431 1 79 . ASP . 6431 1 80 . ASP . 6431 1 81 . GLU . 6431 1 82 . GLU . 6431 1 83 . ASP . 6431 1 84 . GLU . 6431 1 85 . PRO . 6431 1 86 . GLU . 6431 1 87 . ILE . 6431 1 88 . PRO . 6431 1 89 . VAL . 6431 1 90 . SER . 6431 1 91 . PRO . 6431 1 92 . ARG . 6431 1 93 . PRO . 6431 1 94 . ARG . 6431 1 95 . PRO . 6431 1 96 . LEU . 6431 1 97 . ALA . 6431 1 98 . GLU . 6431 1 99 . LEU . 6431 1 100 . GLN . 6431 1 101 . LEU . 6431 1 102 . LYS . 6431 1 103 . GLU . 6431 1 104 . LYS . 6431 1 105 . ALA . 6431 1 106 . VAL . 6431 1 107 . PRO . 6431 1 108 . ILE . 6431 1 109 . PRO . 6431 1 110 . GLU . 6431 1 111 . ALA . 6431 1 112 . SER . 6431 1 113 . SER . 6431 1 114 . PHE . 6431 1 115 . PHE . 6431 1 116 . ILE . 6431 1 117 . PHE . 6431 1 118 . SER . 6431 1 119 . PRO . 6431 1 120 . THR . 6431 1 121 . ASN . 6431 1 122 . LYS . 6431 1 123 . VAL . 6431 1 124 . ARG . 6431 1 125 . VAL . 6431 1 126 . LEU . 6431 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 . GLU 1 1 6431 1 . ALA 2 2 6431 1 . GLU 3 3 6431 1 . SER 4 4 6431 1 . LEU 5 5 6431 1 . THR 6 6 6431 1 . SER 7 7 6431 1 . ALA 8 8 6431 1 . GLN 9 9 6431 1 . LYS 10 10 6431 1 . ALA 11 11 6431 1 . LYS 12 12 6431 1 . ALA 13 13 6431 1 . GLU 14 14 6431 1 . GLU 15 15 6431 1 . ARG 16 16 6431 1 . LYS 17 17 6431 1 . ARG 18 18 6431 1 . ARG 19 19 6431 1 . LYS 20 20 6431 1 . MET 21 21 6431 1 . SER 22 22 6431 1 . ARG 23 23 6431 1 . GLY 24 24 6431 1 . LEU 25 25 6431 1 . PRO 26 26 6431 1 . ASP 27 27 6431 1 . LYS 28 28 6431 1 . THR 29 29 6431 1 . GLU 30 30 6431 1 . GLU 31 31 6431 1 . GLU 32 32 6431 1 . LYS 33 33 6431 1 . SER 34 34 6431 1 . VAL 35 35 6431 1 . MET 36 36 6431 1 . ALA 37 37 6431 1 . LYS 38 38 6431 1 . LYS 39 39 6431 1 . LEU 40 40 6431 1 . GLU 41 41 6431 1 . GLN 42 42 6431 1 . LYS 43 43 6431 1 . PRO 44 44 6431 1 . LYS 45 45 6431 1 . GLY 46 46 6431 1 . GLU 47 47 6431 1 . GLY 48 48 6431 1 . ILE 49 49 6431 1 . PRO 50 50 6431 1 . THR 51 51 6431 1 . THR 52 52 6431 1 . ALA 53 53 6431 1 . LYS 54 54 6431 1 . LEU 55 55 6431 1 . LYS 56 56 6431 1 . VAL 57 57 6431 1 . ASP 58 58 6431 1 . GLU 59 59 6431 1 . PHE 60 60 6431 1 . GLU 61 61 6431 1 . SER 62 62 6431 1 . ASN 63 63 6431 1 . VAL 64 64 6431 1 . ASN 65 65 6431 1 . GLU 66 66 6431 1 . VAL 67 67 6431 1 . LYS 68 68 6431 1 . ASP 69 69 6431 1 . PRO 70 70 6431 1 . TYR 71 71 6431 1 . PRO 72 72 6431 1 . SER 73 73 6431 1 . ALA 74 74 6431 1 . ASP 75 75 6431 1 . PHE 76 76 6431 1 . PRO 77 77 6431 1 . GLY 78 78 6431 1 . ASP 79 79 6431 1 . ASP 80 80 6431 1 . GLU 81 81 6431 1 . GLU 82 82 6431 1 . ASP 83 83 6431 1 . GLU 84 84 6431 1 . PRO 85 85 6431 1 . GLU 86 86 6431 1 . ILE 87 87 6431 1 . PRO 88 88 6431 1 . VAL 89 89 6431 1 . SER 90 90 6431 1 . PRO 91 91 6431 1 . ARG 92 92 6431 1 . PRO 93 93 6431 1 . ARG 94 94 6431 1 . PRO 95 95 6431 1 . LEU 96 96 6431 1 . ALA 97 97 6431 1 . GLU 98 98 6431 1 . LEU 99 99 6431 1 . GLN 100 100 6431 1 . LEU 101 101 6431 1 . LYS 102 102 6431 1 . GLU 103 103 6431 1 . LYS 104 104 6431 1 . ALA 105 105 6431 1 . VAL 106 106 6431 1 . PRO 107 107 6431 1 . ILE 108 108 6431 1 . PRO 109 109 6431 1 . GLU 110 110 6431 1 . ALA 111 111 6431 1 . SER 112 112 6431 1 . SER 113 113 6431 1 . PHE 114 114 6431 1 . PHE 115 115 6431 1 . ILE 116 116 6431 1 . PHE 117 117 6431 1 . SER 118 118 6431 1 . PRO 119 119 6431 1 . THR 120 120 6431 1 . ASN 121 121 6431 1 . LYS 122 122 6431 1 . VAL 123 123 6431 1 . ARG 124 124 6431 1 . VAL 125 125 6431 1 . LEU 126 126 6431 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 6431 _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 $DHPR_II-III_loop . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . muscle . . . . . . . . . . . . . . . . 6431 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 6431 _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 $DHPR_II-III_loop . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6431 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6431 _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 'II-III loop region of the skeletal dyhydropyridine receptor' '[U-95% 13C; U-90% 15N]' . . 1 $DHPR_II-III_loop . . 1 0.5 1.5 mM . . . . 6431 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond-1 _Sample_condition_list.Entry_ID 6431 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 pH 6431 1 temperature 278 0.5 K 6431 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6431 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6431 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6431 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6431 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6431 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 6431 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6431 _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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 2 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 3 '1H-13C NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 5 CACB(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 7 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 8 HCAN . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 9 HCACB(CO)N . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond-1 . . . . . . . . . . . . . . . . . . . . . 6431 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CACB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCAN _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6431 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCACB(CO)N _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6431 _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 6431 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6431 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6431 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6431 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Several unassigned signals were observed that may correspond to a minor conformational species ; _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 '1H-15N NOESY' 1 $sample_1 . 6431 1 2 '1H-15N TOCSY' 1 $sample_1 . 6431 1 3 '1H-13C NOESY' 1 $sample_1 . 6431 1 4 HNCACB 1 $sample_1 . 6431 1 5 CACB(CO)NH 1 $sample_1 . 6431 1 6 HNCO 1 $sample_1 . 6431 1 7 HCCH-TOCSY 1 $sample_1 . 6431 1 8 HCAN 1 $sample_1 . 6431 1 9 HCACB(CO)N 1 $sample_1 . 6431 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 3 3 GLU H H 1 8.664 0.003 . . . . . . . . . . 6431 1 2 . 1 1 3 3 GLU N N 15 122.277 0.053 . . . . . . . . . . 6431 1 3 . 1 1 3 3 GLU CA C 13 56.733 0.063 . . . . . . . . . . 6431 1 4 . 1 1 3 3 GLU HA H 1 4.203 0.004 . . . . . . . . . . 6431 1 5 . 1 1 3 3 GLU C C 13 176.674 0.02 . . . . . . . . . . 6431 1 6 . 1 1 3 3 GLU CB C 13 30.271 0.046 . . . . . . . . . . 6431 1 7 . 1 1 3 3 GLU HB2 H 1 1.982 0.009 . . . . . . . . . . 6431 1 8 . 1 1 3 3 GLU HB3 H 1 1.909 0.02 . . . . . . . . . . 6431 1 9 . 1 1 3 3 GLU CG C 13 35.93 0.02 . . . . . . . . . . 6431 1 10 . 1 1 3 3 GLU HG2 H 1 2.331 0.086 . . . . . . . . . . 6431 1 11 . 1 1 3 3 GLU HG3 H 1 2.242 0.003 . . . . . . . . . . 6431 1 12 . 1 1 4 4 SER H H 1 8.538 0.003 . . . . . . . . . . 6431 1 13 . 1 1 4 4 SER N N 15 118.592 0.062 . . . . . . . . . . 6431 1 14 . 1 1 4 4 SER CA C 13 58.182 0.101 . . . . . . . . . . 6431 1 15 . 1 1 4 4 SER HA H 1 4.395 0.001 . . . . . . . . . . 6431 1 16 . 1 1 4 4 SER C C 13 174.542 0.02 . . . . . . . . . . 6431 1 17 . 1 1 4 4 SER CB C 13 63.822 0.246 . . . . . . . . . . 6431 1 18 . 1 1 4 4 SER HB2 H 1 3.811 0.001 . . . . . . . . . . 6431 1 19 . 1 1 4 4 SER HB3 H 1 3.809 0.001 . . . . . . . . . . 6431 1 20 . 1 1 5 5 LEU H H 1 8.345 0.003 . . . . . . . . . . 6431 1 21 . 1 1 5 5 LEU N N 15 125.347 0.056 . . . . . . . . . . 6431 1 22 . 1 1 5 5 LEU CA C 13 55.266 0.073 . . . . . . . . . . 6431 1 23 . 1 1 5 5 LEU HA H 1 4.5 0.006 . . . . . . . . . . 6431 1 24 . 1 1 5 5 LEU C C 13 178.346 0.02 . . . . . . . . . . 6431 1 25 . 1 1 5 5 LEU CB C 13 42.964 0.026 . . . . . . . . . . 6431 1 26 . 1 1 5 5 LEU HB2 H 1 1.611 0.002 . . . . . . . . . . 6431 1 27 . 1 1 5 5 LEU HB3 H 1 1.611 0.02 . . . . . . . . . . 6431 1 28 . 1 1 5 5 LEU CG C 13 27.09 0.02 . . . . . . . . . . 6431 1 29 . 1 1 5 5 LEU CD1 C 13 22.94 0.02 . . . . . . . . . . 6431 1 30 . 1 1 5 5 LEU HD11 H 1 0.83 0.02 . . . . . . . . . . 6431 1 31 . 1 1 5 5 LEU HD12 H 1 0.83 0.02 . . . . . . . . . . 6431 1 32 . 1 1 5 5 LEU HD13 H 1 0.83 0.02 . . . . . . . . . . 6431 1 33 . 1 1 5 5 LEU CD2 C 13 22.94 0.02 . . . . . . . . . . 6431 1 34 . 1 1 5 5 LEU HD21 H 1 0.83 0.02 . . . . . . . . . . 6431 1 35 . 1 1 5 5 LEU HD22 H 1 0.83 0.02 . . . . . . . . . . 6431 1 36 . 1 1 5 5 LEU HD23 H 1 0.83 0.02 . . . . . . . . . . 6431 1 37 . 1 1 5 5 LEU HG H 1 1.523 0.001 . . . . . . . . . . 6431 1 38 . 1 1 6 6 THR H H 1 8.515 0.006 . . . . . . . . . . 6431 1 39 . 1 1 6 6 THR N N 15 114.708 0.076 . . . . . . . . . . 6431 1 40 . 1 1 6 6 THR CA C 13 61.64 0.161 . . . . . . . . . . 6431 1 41 . 1 1 6 6 THR HA H 1 4.319 0.002 . . . . . . . . . . 6431 1 42 . 1 1 6 6 THR C C 13 175.799 0.02 . . . . . . . . . . 6431 1 43 . 1 1 6 6 THR CB C 13 70.418 0.02 . . . . . . . . . . 6431 1 44 . 1 1 6 6 THR HB H 1 4.151 0.02 . . . . . . . . . . 6431 1 45 . 1 1 6 6 THR HG21 H 1 1.248 0.01 . . . . . . . . . . 6431 1 46 . 1 1 6 6 THR HG22 H 1 1.248 0.01 . . . . . . . . . . 6431 1 47 . 1 1 6 6 THR HG23 H 1 1.248 0.01 . . . . . . . . . . 6431 1 48 . 1 1 7 7 SER H H 1 8.838 0.004 . . . . . . . . . . 6431 1 49 . 1 1 7 7 SER N N 15 118.569 0.062 . . . . . . . . . . 6431 1 50 . 1 1 7 7 SER CA C 13 61.212 0.103 . . . . . . . . . . 6431 1 51 . 1 1 7 7 SER HA H 1 4.274 0.166 . . . . . . . . . . 6431 1 52 . 1 1 7 7 SER C C 13 176.893 0.02 . . . . . . . . . . 6431 1 53 . 1 1 7 7 SER CB C 13 62.782 0.02 . . . . . . . . . . 6431 1 54 . 1 1 7 7 SER HB2 H 1 3.911 0.02 . . . . . . . . . . 6431 1 55 . 1 1 7 7 SER HB3 H 1 3.911 0.02 . . . . . . . . . . 6431 1 56 . 1 1 8 8 ALA H H 1 8.443 0.002 . . . . . . . . . . 6431 1 57 . 1 1 8 8 ALA N N 15 126.049 0.064 . . . . . . . . . . 6431 1 58 . 1 1 8 8 ALA CA C 13 54.61 0.108 . . . . . . . . . . 6431 1 59 . 1 1 8 8 ALA HA H 1 4.198 0.002 . . . . . . . . . . 6431 1 60 . 1 1 8 8 ALA C C 13 180.363 0.02 . . . . . . . . . . 6431 1 61 . 1 1 8 8 ALA CB C 13 18.631 0.195 . . . . . . . . . . 6431 1 62 . 1 1 8 8 ALA HB1 H 1 1.39 0.001 . . . . . . . . . . 6431 1 63 . 1 1 8 8 ALA HB2 H 1 1.39 0.001 . . . . . . . . . . 6431 1 64 . 1 1 8 8 ALA HB3 H 1 1.39 0.001 . . . . . . . . . . 6431 1 65 . 1 1 9 9 GLN H H 1 8.014 0.004 . . . . . . . . . . 6431 1 66 . 1 1 9 9 GLN N N 15 119.874 0.069 . . . . . . . . . . 6431 1 67 . 1 1 9 9 GLN CA C 13 58.238 0.095 . . . . . . . . . . 6431 1 68 . 1 1 9 9 GLN HA H 1 4.013 0.004 . . . . . . . . . . 6431 1 69 . 1 1 9 9 GLN C C 13 179.297 0.02 . . . . . . . . . . 6431 1 70 . 1 1 9 9 GLN CB C 13 29 0.016 . . . . . . . . . . 6431 1 71 . 1 1 9 9 GLN HB2 H 1 1.993 0.001 . . . . . . . . . . 6431 1 72 . 1 1 9 9 GLN HB3 H 1 1.99 0.02 . . . . . . . . . . 6431 1 73 . 1 1 9 9 GLN CG C 13 34.14 0.02 . . . . . . . . . . 6431 1 74 . 1 1 9 9 GLN HG2 H 1 2.41 0.005 . . . . . . . . . . 6431 1 75 . 1 1 9 9 GLN HG3 H 1 2.241 0.008 . . . . . . . . . . 6431 1 76 . 1 1 10 10 LYS H H 1 8.505 0.003 . . . . . . . . . . 6431 1 77 . 1 1 10 10 LYS N N 15 123.246 0.116 . . . . . . . . . . 6431 1 78 . 1 1 10 10 LYS CA C 13 58.901 0.234 . . . . . . . . . . 6431 1 79 . 1 1 10 10 LYS HA H 1 4.011 0.005 . . . . . . . . . . 6431 1 80 . 1 1 10 10 LYS C C 13 178.388 0.02 . . . . . . . . . . 6431 1 81 . 1 1 10 10 LYS CB C 13 32.47 0.023 . . . . . . . . . . 6431 1 82 . 1 1 10 10 LYS HB2 H 1 1.805 0.001 . . . . . . . . . . 6431 1 83 . 1 1 10 10 LYS HB3 H 1 1.805 0.02 . . . . . . . . . . 6431 1 84 . 1 1 10 10 LYS CG C 13 25.39 0.02 . . . . . . . . . . 6431 1 85 . 1 1 10 10 LYS HG2 H 1 1.48 0.02 . . . . . . . . . . 6431 1 86 . 1 1 10 10 LYS HG3 H 1 1.48 0.02 . . . . . . . . . . 6431 1 87 . 1 1 10 10 LYS CD C 13 29.25 0.02 . . . . . . . . . . 6431 1 88 . 1 1 10 10 LYS HD2 H 1 1.61 0.02 . . . . . . . . . . 6431 1 89 . 1 1 10 10 LYS HD3 H 1 1.61 0.02 . . . . . . . . . . 6431 1 90 . 1 1 10 10 LYS CE C 13 41.81 0.02 . . . . . . . . . . 6431 1 91 . 1 1 10 10 LYS HE2 H 1 2.881 0.02 . . . . . . . . . . 6431 1 92 . 1 1 10 10 LYS HE3 H 1 2.881 0.02 . . . . . . . . . . 6431 1 93 . 1 1 11 11 ALA H H 1 8.075 0.004 . . . . . . . . . . 6431 1 94 . 1 1 11 11 ALA N N 15 123.284 0.152 . . . . . . . . . . 6431 1 95 . 1 1 11 11 ALA CA C 13 54.55 0.112 . . . . . . . . . . 6431 1 96 . 1 1 11 11 ALA HA H 1 4.166 0.003 . . . . . . . . . . 6431 1 97 . 1 1 11 11 ALA C C 13 180.467 0.02 . . . . . . . . . . 6431 1 98 . 1 1 11 11 ALA CB C 13 17.922 0.197 . . . . . . . . . . 6431 1 99 . 1 1 11 11 ALA HB1 H 1 1.438 0.002 . . . . . . . . . . 6431 1 100 . 1 1 11 11 ALA HB2 H 1 1.438 0.002 . . . . . . . . . . 6431 1 101 . 1 1 11 11 ALA HB3 H 1 1.438 0.002 . . . . . . . . . . 6431 1 102 . 1 1 12 12 LYS H H 1 7.919 0.004 . . . . . . . . . . 6431 1 103 . 1 1 12 12 LYS N N 15 120.458 0.098 . . . . . . . . . . 6431 1 104 . 1 1 12 12 LYS CA C 13 58.183 0.057 . . . . . . . . . . 6431 1 105 . 1 1 12 12 LYS HA H 1 4.103 0.003 . . . . . . . . . . 6431 1 106 . 1 1 12 12 LYS C C 13 178.625 0.02 . . . . . . . . . . 6431 1 107 . 1 1 12 12 LYS CB C 13 32.257 0.079 . . . . . . . . . . 6431 1 108 . 1 1 12 12 LYS HB2 H 1 1.844 0.02 . . . . . . . . . . 6431 1 109 . 1 1 12 12 LYS HB3 H 1 1.844 0.02 . . . . . . . . . . 6431 1 110 . 1 1 12 12 LYS CG C 13 24.82 0.02 . . . . . . . . . . 6431 1 111 . 1 1 12 12 LYS HG2 H 1 1.45 0.02 . . . . . . . . . . 6431 1 112 . 1 1 12 12 LYS HG3 H 1 1.45 0.02 . . . . . . . . . . 6431 1 113 . 1 1 12 12 LYS CD C 13 29.1 0.02 . . . . . . . . . . 6431 1 114 . 1 1 12 12 LYS HD2 H 1 1.64 0.02 . . . . . . . . . . 6431 1 115 . 1 1 12 12 LYS HD3 H 1 1.64 0.02 . . . . . . . . . . 6431 1 116 . 1 1 12 12 LYS CE C 13 41.8 0.02 . . . . . . . . . . 6431 1 117 . 1 1 12 12 LYS HE2 H 1 2.89 0.02 . . . . . . . . . . 6431 1 118 . 1 1 12 12 LYS HE3 H 1 2.89 0.02 . . . . . . . . . . 6431 1 119 . 1 1 13 13 ALA H H 1 8.017 0.005 . . . . . . . . . . 6431 1 120 . 1 1 13 13 ALA N N 15 123.86 0.123 . . . . . . . . . . 6431 1 121 . 1 1 13 13 ALA CA C 13 54.696 0.03 . . . . . . . . . . 6431 1 122 . 1 1 13 13 ALA HA H 1 4.098 0.004 . . . . . . . . . . 6431 1 123 . 1 1 13 13 ALA C C 13 180.463 0.02 . . . . . . . . . . 6431 1 124 . 1 1 13 13 ALA CB C 13 17.917 0.225 . . . . . . . . . . 6431 1 125 . 1 1 13 13 ALA HB1 H 1 1.45 0.003 . . . . . . . . . . 6431 1 126 . 1 1 13 13 ALA HB2 H 1 1.45 0.003 . . . . . . . . . . 6431 1 127 . 1 1 13 13 ALA HB3 H 1 1.45 0.003 . . . . . . . . . . 6431 1 128 . 1 1 14 14 GLU H H 1 8.234 0.004 . . . . . . . . . . 6431 1 129 . 1 1 14 14 GLU N N 15 120.364 0.098 . . . . . . . . . . 6431 1 130 . 1 1 14 14 GLU CA C 13 58.41 0.067 . . . . . . . . . . 6431 1 131 . 1 1 14 14 GLU HA H 1 4.051 0.009 . . . . . . . . . . 6431 1 132 . 1 1 14 14 GLU C C 13 178.582 0.02 . . . . . . . . . . 6431 1 133 . 1 1 14 14 GLU CB C 13 29.534 0.141 . . . . . . . . . . 6431 1 134 . 1 1 14 14 GLU HB2 H 1 2.05 0.02 . . . . . . . . . . 6431 1 135 . 1 1 14 14 GLU HB3 H 1 1.857 0.02 . . . . . . . . . . 6431 1 136 . 1 1 14 14 GLU CG C 13 35.53 0.02 . . . . . . . . . . 6431 1 137 . 1 1 14 14 GLU HG2 H 1 2.303 0.005 . . . . . . . . . . 6431 1 138 . 1 1 14 14 GLU HG3 H 1 2.303 0.005 . . . . . . . . . . 6431 1 139 . 1 1 15 15 GLU H H 1 8.044 0.006 . . . . . . . . . . 6431 1 140 . 1 1 15 15 GLU N N 15 122.233 0.059 . . . . . . . . . . 6431 1 141 . 1 1 15 15 GLU CA C 13 58.525 0.173 . . . . . . . . . . 6431 1 142 . 1 1 15 15 GLU HA H 1 4.026 0.019 . . . . . . . . . . 6431 1 143 . 1 1 15 15 GLU C C 13 178.348 0.02 . . . . . . . . . . 6431 1 144 . 1 1 15 15 GLU CB C 13 29.441 0.011 . . . . . . . . . . 6431 1 145 . 1 1 15 15 GLU HB2 H 1 2.071 0.001 . . . . . . . . . . 6431 1 146 . 1 1 15 15 GLU HB3 H 1 2.07 0.02 . . . . . . . . . . 6431 1 147 . 1 1 15 15 GLU HG2 H 1 2.235 0.02 . . . . . . . . . . 6431 1 148 . 1 1 15 15 GLU HG3 H 1 2.235 0.02 . . . . . . . . . . 6431 1 149 . 1 1 16 16 ARG H H 1 7.865 0.844 . . . . . . . . . . 6431 1 150 . 1 1 16 16 ARG N N 15 120.611 0.136 . . . . . . . . . . 6431 1 151 . 1 1 16 16 ARG CA C 13 58.606 0.086 . . . . . . . . . . 6431 1 152 . 1 1 16 16 ARG HA H 1 4.046 0.006 . . . . . . . . . . 6431 1 153 . 1 1 16 16 ARG C C 13 178.448 0.02 . . . . . . . . . . 6431 1 154 . 1 1 16 16 ARG CB C 13 30.286 0.043 . . . . . . . . . . 6431 1 155 . 1 1 16 16 ARG HB2 H 1 1.849 0.001 . . . . . . . . . . 6431 1 156 . 1 1 16 16 ARG HB3 H 1 1.743 0.02 . . . . . . . . . . 6431 1 157 . 1 1 16 16 ARG CG C 13 26.89 0.02 . . . . . . . . . . 6431 1 158 . 1 1 16 16 ARG HG2 H 1 1.579 0.009 . . . . . . . . . . 6431 1 159 . 1 1 16 16 ARG HG3 H 1 1.569 0.02 . . . . . . . . . . 6431 1 160 . 1 1 16 16 ARG CD C 13 43.17 0.02 . . . . . . . . . . 6431 1 161 . 1 1 16 16 ARG HD2 H 1 3.165 0.02 . . . . . . . . . . 6431 1 162 . 1 1 16 16 ARG HD3 H 1 3.165 0.02 . . . . . . . . . . 6431 1 163 . 1 1 17 17 LYS H H 1 7.843 0.006 . . . . . . . . . . 6431 1 164 . 1 1 17 17 LYS N N 15 121.056 0.046 . . . . . . . . . . 6431 1 165 . 1 1 17 17 LYS CA C 13 58.567 0.055 . . . . . . . . . . 6431 1 166 . 1 1 17 17 LYS HA H 1 4.044 0.006 . . . . . . . . . . 6431 1 167 . 1 1 17 17 LYS C C 13 178.328 0.02 . . . . . . . . . . 6431 1 168 . 1 1 17 17 LYS CB C 13 32.578 0.04 . . . . . . . . . . 6431 1 169 . 1 1 17 17 LYS HB2 H 1 1.85 0.02 . . . . . . . . . . 6431 1 170 . 1 1 17 17 LYS HB3 H 1 1.85 0.02 . . . . . . . . . . 6431 1 171 . 1 1 17 17 LYS CG C 13 24.69 0.02 . . . . . . . . . . 6431 1 172 . 1 1 17 17 LYS HG2 H 1 1.359 0.008 . . . . . . . . . . 6431 1 173 . 1 1 17 17 LYS HG3 H 1 1.359 0.008 . . . . . . . . . . 6431 1 174 . 1 1 17 17 LYS CD C 13 29.25 0.02 . . . . . . . . . . 6431 1 175 . 1 1 17 17 LYS HD2 H 1 1.588 0.02 . . . . . . . . . . 6431 1 176 . 1 1 17 17 LYS HD3 H 1 1.588 0.02 . . . . . . . . . . 6431 1 177 . 1 1 17 17 LYS CE C 13 41.83 0.02 . . . . . . . . . . 6431 1 178 . 1 1 17 17 LYS HE2 H 1 2.95 0.02 . . . . . . . . . . 6431 1 179 . 1 1 18 18 ARG H H 1 8.047 0.004 . . . . . . . . . . 6431 1 180 . 1 1 18 18 ARG N N 15 120.716 0.059 . . . . . . . . . . 6431 1 181 . 1 1 18 18 ARG CA C 13 58.187 0.171 . . . . . . . . . . 6431 1 182 . 1 1 18 18 ARG HA H 1 4.079 0.018 . . . . . . . . . . 6431 1 183 . 1 1 18 18 ARG C C 13 178.348 0.02 . . . . . . . . . . 6431 1 184 . 1 1 18 18 ARG CB C 13 30.403 0.095 . . . . . . . . . . 6431 1 185 . 1 1 18 18 ARG HB2 H 1 1.85 0.02 . . . . . . . . . . 6431 1 186 . 1 1 18 18 ARG HB3 H 1 1.732 0.02 . . . . . . . . . . 6431 1 187 . 1 1 18 18 ARG CG C 13 26.88 0.02 . . . . . . . . . . 6431 1 188 . 1 1 18 18 ARG HG2 H 1 1.575 0.02 . . . . . . . . . . 6431 1 189 . 1 1 18 18 ARG HG3 H 1 1.575 0.02 . . . . . . . . . . 6431 1 190 . 1 1 18 18 ARG CD C 13 43.12 0.02 . . . . . . . . . . 6431 1 191 . 1 1 18 18 ARG HD2 H 1 3.159 0.02 . . . . . . . . . . 6431 1 192 . 1 1 18 18 ARG HD3 H 1 3.156 0.02 . . . . . . . . . . 6431 1 193 . 1 1 19 19 ARG H H 1 8.108 0.003 . . . . . . . . . . 6431 1 194 . 1 1 19 19 ARG N N 15 121.224 0.088 . . . . . . . . . . 6431 1 195 . 1 1 19 19 ARG CA C 13 57.636 0.024 . . . . . . . . . . 6431 1 196 . 1 1 19 19 ARG HA H 1 4.112 0.001 . . . . . . . . . . 6431 1 197 . 1 1 19 19 ARG C C 13 177.625 0.02 . . . . . . . . . . 6431 1 198 . 1 1 19 19 ARG CB C 13 30.165 0.326 . . . . . . . . . . 6431 1 199 . 1 1 19 19 ARG HB2 H 1 1.837 0.02 . . . . . . . . . . 6431 1 200 . 1 1 19 19 ARG HB3 H 1 1.719 0.02 . . . . . . . . . . 6431 1 201 . 1 1 19 19 ARG CG C 13 27.22 0.02 . . . . . . . . . . 6431 1 202 . 1 1 19 19 ARG HG2 H 1 1.593 0.02 . . . . . . . . . . 6431 1 203 . 1 1 19 19 ARG HG3 H 1 1.593 0.02 . . . . . . . . . . 6431 1 204 . 1 1 19 19 ARG CD C 13 43.2 0.02 . . . . . . . . . . 6431 1 205 . 1 1 19 19 ARG HD2 H 1 3.14 0.02 . . . . . . . . . . 6431 1 206 . 1 1 19 19 ARG HD3 H 1 3.14 0.02 . . . . . . . . . . 6431 1 207 . 1 1 20 20 LYS H H 1 8.054 0.007 . . . . . . . . . . 6431 1 208 . 1 1 20 20 LYS N N 15 121.908 0.133 . . . . . . . . . . 6431 1 209 . 1 1 20 20 LYS CA C 13 56.794 1.02 . . . . . . . . . . 6431 1 210 . 1 1 20 20 LYS HA H 1 4.133 0.004 . . . . . . . . . . 6431 1 211 . 1 1 20 20 LYS C C 13 177.667 0.02 . . . . . . . . . . 6431 1 212 . 1 1 20 20 LYS CB C 13 32.711 0.138 . . . . . . . . . . 6431 1 213 . 1 1 20 20 LYS HB2 H 1 1.827 0.02 . . . . . . . . . . 6431 1 214 . 1 1 20 20 LYS HB3 H 1 1.827 0.02 . . . . . . . . . . 6431 1 215 . 1 1 20 20 LYS CG C 13 24.66 0.02 . . . . . . . . . . 6431 1 216 . 1 1 20 20 LYS HG2 H 1 1.393 0.02 . . . . . . . . . . 6431 1 217 . 1 1 20 20 LYS HG3 H 1 1.393 0.02 . . . . . . . . . . 6431 1 218 . 1 1 20 20 LYS CD C 13 29.22 0.02 . . . . . . . . . . 6431 1 219 . 1 1 20 20 LYS HD2 H 1 1.632 0.008 . . . . . . . . . . 6431 1 220 . 1 1 20 20 LYS HD3 H 1 1.595 0.02 . . . . . . . . . . 6431 1 221 . 1 1 20 20 LYS CE C 13 41.9 0.02 . . . . . . . . . . 6431 1 222 . 1 1 20 20 LYS HE2 H 1 2.94 0.02 . . . . . . . . . . 6431 1 223 . 1 1 20 20 LYS HE3 H 1 2.94 0.02 . . . . . . . . . . 6431 1 224 . 1 1 21 21 MET H H 1 8.171 0.006 . . . . . . . . . . 6431 1 225 . 1 1 21 21 MET N N 15 120.536 0.086 . . . . . . . . . . 6431 1 226 . 1 1 21 21 MET CA C 13 56.199 0.164 . . . . . . . . . . 6431 1 227 . 1 1 21 21 MET HA H 1 4.39 0.002 . . . . . . . . . . 6431 1 228 . 1 1 21 21 MET C C 13 176.952 0.02 . . . . . . . . . . 6431 1 229 . 1 1 21 21 MET CB C 13 32.597 0.069 . . . . . . . . . . 6431 1 230 . 1 1 21 21 MET HB2 H 1 2.092 0.005 . . . . . . . . . . 6431 1 231 . 1 1 21 21 MET HB3 H 1 2.023 0.003 . . . . . . . . . . 6431 1 232 . 1 1 21 21 MET HG2 H 1 2.635 0.02 . . . . . . . . . . 6431 1 233 . 1 1 21 21 MET HG3 H 1 2.54 0.004 . . . . . . . . . . 6431 1 234 . 1 1 21 21 MET HE1 H 1 1.84 0.02 . . . . . . . . . . 6431 1 235 . 1 1 21 21 MET HE2 H 1 1.84 0.02 . . . . . . . . . . 6431 1 236 . 1 1 21 21 MET HE3 H 1 1.84 0.02 . . . . . . . . . . 6431 1 237 . 1 1 22 22 SER H H 1 8.182 0.004 . . . . . . . . . . 6431 1 238 . 1 1 22 22 SER N N 15 117.23 0.082 . . . . . . . . . . 6431 1 239 . 1 1 22 22 SER CA C 13 58.774 0.02 . . . . . . . . . . 6431 1 240 . 1 1 22 22 SER HA H 1 4.388 0.004 . . . . . . . . . . 6431 1 241 . 1 1 22 22 SER C C 13 174.734 0.02 . . . . . . . . . . 6431 1 242 . 1 1 22 22 SER CB C 13 63.706 0.188 . . . . . . . . . . 6431 1 243 . 1 1 22 22 SER HB2 H 1 3.865 0.001 . . . . . . . . . . 6431 1 244 . 1 1 22 22 SER HB3 H 1 3.864 0.02 . . . . . . . . . . 6431 1 245 . 1 1 23 23 ARG H H 1 8.272 0.005 . . . . . . . . . . 6431 1 246 . 1 1 23 23 ARG N N 15 123.435 0.091 . . . . . . . . . . 6431 1 247 . 1 1 23 23 ARG CA C 13 56.335 0.074 . . . . . . . . . . 6431 1 248 . 1 1 23 23 ARG HA H 1 4.289 0.003 . . . . . . . . . . 6431 1 249 . 1 1 23 23 ARG C C 13 176.783 0.02 . . . . . . . . . . 6431 1 250 . 1 1 23 23 ARG CB C 13 30.637 0.122 . . . . . . . . . . 6431 1 251 . 1 1 23 23 ARG HB2 H 1 1.873 0.006 . . . . . . . . . . 6431 1 252 . 1 1 23 23 ARG HB3 H 1 1.758 0.008 . . . . . . . . . . 6431 1 253 . 1 1 23 23 ARG CG C 13 26.85 0.02 . . . . . . . . . . 6431 1 254 . 1 1 23 23 ARG HG2 H 1 1.627 0.011 . . . . . . . . . . 6431 1 255 . 1 1 23 23 ARG HG3 H 1 1.609 0.026 . . . . . . . . . . 6431 1 256 . 1 1 23 23 ARG CD C 13 43.2 0.02 . . . . . . . . . . 6431 1 257 . 1 1 23 23 ARG HD2 H 1 3.163 0.02 . . . . . . . . . . 6431 1 258 . 1 1 23 23 ARG HD3 H 1 3.163 0.02 . . . . . . . . . . 6431 1 259 . 1 1 24 24 GLY H H 1 8.353 0.004 . . . . . . . . . . 6431 1 260 . 1 1 24 24 GLY N N 15 110.203 0.078 . . . . . . . . . . 6431 1 261 . 1 1 24 24 GLY CA C 13 45.037 0.049 . . . . . . . . . . 6431 1 262 . 1 1 24 24 GLY HA2 H 1 3.885 0.02 . . . . . . . . . . 6431 1 263 . 1 1 24 24 GLY HA3 H 1 3.885 0.02 . . . . . . . . . . 6431 1 264 . 1 1 24 24 GLY C C 13 173.774 0.02 . . . . . . . . . . 6431 1 265 . 1 1 25 25 LEU H H 1 8.154 0.002 . . . . . . . . . . 6431 1 266 . 1 1 25 25 LEU N N 15 123.799 0.106 . . . . . . . . . . 6431 1 267 . 1 1 25 25 LEU CA C 13 53.077 0.02 . . . . . . . . . . 6431 1 268 . 1 1 25 25 LEU HA H 1 4.57 0.02 . . . . . . . . . . 6431 1 269 . 1 1 25 25 LEU CB C 13 41.725 0.02 . . . . . . . . . . 6431 1 270 . 1 1 25 25 LEU HB2 H 1 1.586 0.02 . . . . . . . . . . 6431 1 271 . 1 1 25 25 LEU HB3 H 1 1.586 0.02 . . . . . . . . . . 6431 1 272 . 1 1 25 25 LEU CG C 13 26.83 0.02 . . . . . . . . . . 6431 1 273 . 1 1 25 25 LEU CD1 C 13 24.79 0.02 . . . . . . . . . . 6431 1 274 . 1 1 25 25 LEU HD11 H 1 0.87 0.02 . . . . . . . . . . 6431 1 275 . 1 1 25 25 LEU HD12 H 1 0.87 0.02 . . . . . . . . . . 6431 1 276 . 1 1 25 25 LEU HD13 H 1 0.87 0.02 . . . . . . . . . . 6431 1 277 . 1 1 25 25 LEU CD2 C 13 23.17 0.02 . . . . . . . . . . 6431 1 278 . 1 1 26 26 PRO CA C 13 62.847 0.187 . . . . . . . . . . 6431 1 279 . 1 1 26 26 PRO HA H 1 4.372 0.002 . . . . . . . . . . 6431 1 280 . 1 1 26 26 PRO C C 13 176.656 0.02 . . . . . . . . . . 6431 1 281 . 1 1 26 26 PRO CB C 13 32.24 0.176 . . . . . . . . . . 6431 1 282 . 1 1 26 26 PRO HB2 H 1 2.227 0.02 . . . . . . . . . . 6431 1 283 . 1 1 26 26 PRO HB3 H 1 2.221 0.02 . . . . . . . . . . 6431 1 284 . 1 1 26 26 PRO CG C 13 27.3 0.02 . . . . . . . . . . 6431 1 285 . 1 1 26 26 PRO HG2 H 1 1.954 0.02 . . . . . . . . . . 6431 1 286 . 1 1 26 26 PRO HG3 H 1 1.833 0.02 . . . . . . . . . . 6431 1 287 . 1 1 26 26 PRO CD C 13 50.87 0.02 . . . . . . . . . . 6431 1 288 . 1 1 26 26 PRO HD2 H 1 3.877 0.02 . . . . . . . . . . 6431 1 289 . 1 1 26 26 PRO HD3 H 1 3.877 0.02 . . . . . . . . . . 6431 1 290 . 1 1 27 27 ASP H H 1 8.469 0.003 . . . . . . . . . . 6431 1 291 . 1 1 27 27 ASP N N 15 121.92 0.06 . . . . . . . . . . 6431 1 292 . 1 1 27 27 ASP CA C 13 54.234 0.101 . . . . . . . . . . 6431 1 293 . 1 1 27 27 ASP HA H 1 4.501 0.001 . . . . . . . . . . 6431 1 294 . 1 1 27 27 ASP C C 13 176.617 0.02 . . . . . . . . . . 6431 1 295 . 1 1 27 27 ASP CB C 13 41.187 0.039 . . . . . . . . . . 6431 1 296 . 1 1 27 27 ASP HB2 H 1 2.648 0.007 . . . . . . . . . . 6431 1 297 . 1 1 27 27 ASP HB3 H 1 2.548 0.001 . . . . . . . . . . 6431 1 298 . 1 1 28 28 LYS H H 1 8.398 0.004 . . . . . . . . . . 6431 1 299 . 1 1 28 28 LYS N N 15 123.245 0.038 . . . . . . . . . . 6431 1 300 . 1 1 28 28 LYS CA C 13 56.269 0.126 . . . . . . . . . . 6431 1 301 . 1 1 28 28 LYS HA H 1 4.366 0.02 . . . . . . . . . . 6431 1 302 . 1 1 28 28 LYS C C 13 177.089 0.02 . . . . . . . . . . 6431 1 303 . 1 1 28 28 LYS CB C 13 33.198 0.065 . . . . . . . . . . 6431 1 304 . 1 1 28 28 LYS HB2 H 1 1.809 0.001 . . . . . . . . . . 6431 1 305 . 1 1 28 28 LYS HB3 H 1 1.698 0.001 . . . . . . . . . . 6431 1 306 . 1 1 28 28 LYS CG C 13 24.65 0.02 . . . . . . . . . . 6431 1 307 . 1 1 28 28 LYS HG2 H 1 1.394 0.02 . . . . . . . . . . 6431 1 308 . 1 1 28 28 LYS HG3 H 1 1.394 0.02 . . . . . . . . . . 6431 1 309 . 1 1 28 28 LYS CD C 13 29.04 0.02 . . . . . . . . . . 6431 1 310 . 1 1 28 28 LYS HD2 H 1 1.611 0.02 . . . . . . . . . . 6431 1 311 . 1 1 28 28 LYS HD3 H 1 1.611 0.02 . . . . . . . . . . 6431 1 312 . 1 1 28 28 LYS CE C 13 41.9 0.02 . . . . . . . . . . 6431 1 313 . 1 1 28 28 LYS HE2 H 1 2.88 0.02 . . . . . . . . . . 6431 1 314 . 1 1 28 28 LYS HE3 H 1 2.88 0.02 . . . . . . . . . . 6431 1 315 . 1 1 29 29 THR H H 1 8.491 0.004 . . . . . . . . . . 6431 1 316 . 1 1 29 29 THR N N 15 116.412 0.082 . . . . . . . . . . 6431 1 317 . 1 1 29 29 THR CA C 13 62.617 0.228 . . . . . . . . . . 6431 1 318 . 1 1 29 29 THR HA H 1 4.217 0.002 . . . . . . . . . . 6431 1 319 . 1 1 29 29 THR C C 13 175.246 0.02 . . . . . . . . . . 6431 1 320 . 1 1 29 29 THR CB C 13 69.863 0.096 . . . . . . . . . . 6431 1 321 . 1 1 29 29 THR HB H 1 4.306 0.001 . . . . . . . . . . 6431 1 322 . 1 1 30 30 GLU H H 1 8.577 0.003 . . . . . . . . . . 6431 1 323 . 1 1 30 30 GLU N N 15 123.243 0.066 . . . . . . . . . . 6431 1 324 . 1 1 30 30 GLU CA C 13 57.693 0.059 . . . . . . . . . . 6431 1 325 . 1 1 30 30 GLU HA H 1 4.115 0.003 . . . . . . . . . . 6431 1 326 . 1 1 30 30 GLU C C 13 177.681 0.02 . . . . . . . . . . 6431 1 327 . 1 1 30 30 GLU CB C 13 29.885 0.154 . . . . . . . . . . 6431 1 328 . 1 1 30 30 GLU HB2 H 1 2.006 0.02 . . . . . . . . . . 6431 1 329 . 1 1 30 30 GLU HB3 H 1 1.922 0.02 . . . . . . . . . . 6431 1 330 . 1 1 30 30 GLU CG C 13 36.07 0.02 . . . . . . . . . . 6431 1 331 . 1 1 30 30 GLU HG2 H 1 2.242 0.02 . . . . . . . . . . 6431 1 332 . 1 1 30 30 GLU HG3 H 1 2.242 0.02 . . . . . . . . . . 6431 1 333 . 1 1 31 31 GLU H H 1 8.489 0.003 . . . . . . . . . . 6431 1 334 . 1 1 31 31 GLU N N 15 122.494 0.144 . . . . . . . . . . 6431 1 335 . 1 1 31 31 GLU CA C 13 56.667 0.696 . . . . . . . . . . 6431 1 336 . 1 1 31 31 GLU HA H 1 4.149 0.043 . . . . . . . . . . 6431 1 337 . 1 1 31 31 GLU C C 13 176.539 0.02 . . . . . . . . . . 6431 1 338 . 1 1 31 31 GLU CB C 13 30.233 0.33 . . . . . . . . . . 6431 1 339 . 1 1 31 31 GLU HB2 H 1 1.944 0.02 . . . . . . . . . . 6431 1 340 . 1 1 31 31 GLU CG C 13 36.21 0.02 . . . . . . . . . . 6431 1 341 . 1 1 31 31 GLU HG2 H 1 2.219 0.02 . . . . . . . . . . 6431 1 342 . 1 1 31 31 GLU HG3 H 1 2.219 0.02 . . . . . . . . . . 6431 1 343 . 1 1 32 32 GLU H H 1 8.457 0.003 . . . . . . . . . . 6431 1 344 . 1 1 32 32 GLU N N 15 122.896 0.088 . . . . . . . . . . 6431 1 345 . 1 1 32 32 GLU CA C 13 56.302 0.097 . . . . . . . . . . 6431 1 346 . 1 1 32 32 GLU HA H 1 4.197 0.014 . . . . . . . . . . 6431 1 347 . 1 1 32 32 GLU C C 13 176.381 0.02 . . . . . . . . . . 6431 1 348 . 1 1 32 32 GLU CB C 13 30.391 0.1 . . . . . . . . . . 6431 1 349 . 1 1 32 32 GLU HB2 H 1 1.971 0.007 . . . . . . . . . . 6431 1 350 . 1 1 32 32 GLU HB3 H 1 1.865 0.021 . . . . . . . . . . 6431 1 351 . 1 1 32 32 GLU CG C 13 36.14 0.02 . . . . . . . . . . 6431 1 352 . 1 1 32 32 GLU HG2 H 1 2.199 0.02 . . . . . . . . . . 6431 1 353 . 1 1 32 32 GLU HG3 H 1 2.199 0.02 . . . . . . . . . . 6431 1 354 . 1 1 33 33 LYS H H 1 8.343 0.005 . . . . . . . . . . 6431 1 355 . 1 1 33 33 LYS N N 15 123.687 0.11 . . . . . . . . . . 6431 1 356 . 1 1 33 33 LYS CA C 13 57.175 0.588 . . . . . . . . . . 6431 1 357 . 1 1 33 33 LYS HA H 1 4.163 0.024 . . . . . . . . . . 6431 1 358 . 1 1 33 33 LYS C C 13 177.8 0.02 . . . . . . . . . . 6431 1 359 . 1 1 33 33 LYS CB C 13 32.883 0.077 . . . . . . . . . . 6431 1 360 . 1 1 33 33 LYS HB2 H 1 1.738 0.044 . . . . . . . . . . 6431 1 361 . 1 1 33 33 LYS HB3 H 1 1.738 0.02 . . . . . . . . . . 6431 1 362 . 1 1 33 33 LYS CG C 13 24.65 0.02 . . . . . . . . . . 6431 1 363 . 1 1 33 33 LYS HG2 H 1 1.393 0.02 . . . . . . . . . . 6431 1 364 . 1 1 33 33 LYS HG3 H 1 1.376 0.017 . . . . . . . . . . 6431 1 365 . 1 1 33 33 LYS CD C 13 29.03 0.02 . . . . . . . . . . 6431 1 366 . 1 1 33 33 LYS CE C 13 41.89 0.02 . . . . . . . . . . 6431 1 367 . 1 1 33 33 LYS HE2 H 1 2.875 0.02 . . . . . . . . . . 6431 1 368 . 1 1 33 33 LYS HE3 H 1 2.87 0.02 . . . . . . . . . . 6431 1 369 . 1 1 34 34 SER H H 1 8.253 0.004 . . . . . . . . . . 6431 1 370 . 1 1 34 34 SER N N 15 117.6 0.072 . . . . . . . . . . 6431 1 371 . 1 1 34 34 SER CA C 13 59.063 0.227 . . . . . . . . . . 6431 1 372 . 1 1 34 34 SER HA H 1 4.329 0.001 . . . . . . . . . . 6431 1 373 . 1 1 34 34 SER C C 13 175.46 0.02 . . . . . . . . . . 6431 1 374 . 1 1 34 34 SER CB C 13 63.163 0.26 . . . . . . . . . . 6431 1 375 . 1 1 34 34 SER HB2 H 1 3.885 0.02 . . . . . . . . . . 6431 1 376 . 1 1 34 34 SER HB3 H 1 3.886 0.02 . . . . . . . . . . 6431 1 377 . 1 1 35 35 VAL H H 1 8.052 0.003 . . . . . . . . . . 6431 1 378 . 1 1 35 35 VAL N N 15 122.919 0.076 . . . . . . . . . . 6431 1 379 . 1 1 35 35 VAL CA C 13 63.787 0.116 . . . . . . . . . . 6431 1 380 . 1 1 35 35 VAL HA H 1 3.898 0.002 . . . . . . . . . . 6431 1 381 . 1 1 35 35 VAL C C 13 177.393 0.02 . . . . . . . . . . 6431 1 382 . 1 1 35 35 VAL CB C 13 32.6 0.421 . . . . . . . . . . 6431 1 383 . 1 1 35 35 VAL HB H 1 2.075 0.02 . . . . . . . . . . 6431 1 384 . 1 1 35 35 VAL CG1 C 13 21.07 0.02 . . . . . . . . . . 6431 1 385 . 1 1 35 35 VAL HG11 H 1 0.939 0.02 . . . . . . . . . . 6431 1 386 . 1 1 35 35 VAL HG12 H 1 0.939 0.02 . . . . . . . . . . 6431 1 387 . 1 1 35 35 VAL HG13 H 1 0.939 0.02 . . . . . . . . . . 6431 1 388 . 1 1 35 35 VAL CG2 C 13 21.07 0.02 . . . . . . . . . . 6431 1 389 . 1 1 35 35 VAL HG21 H 1 0.917 0.021 . . . . . . . . . . 6431 1 390 . 1 1 35 35 VAL HG22 H 1 0.917 0.021 . . . . . . . . . . 6431 1 391 . 1 1 35 35 VAL HG23 H 1 0.917 0.021 . . . . . . . . . . 6431 1 392 . 1 1 36 36 MET H H 1 8.188 0.003 . . . . . . . . . . 6431 1 393 . 1 1 36 36 MET N N 15 122.88 0.08 . . . . . . . . . . 6431 1 394 . 1 1 36 36 MET CA C 13 56.166 0.229 . . . . . . . . . . 6431 1 395 . 1 1 36 36 MET HA H 1 4.287 0.004 . . . . . . . . . . 6431 1 396 . 1 1 36 36 MET C C 13 176.867 0.02 . . . . . . . . . . 6431 1 397 . 1 1 36 36 MET CB C 13 32.564 0.116 . . . . . . . . . . 6431 1 398 . 1 1 36 36 MET HB2 H 1 2.024 0.006 . . . . . . . . . . 6431 1 399 . 1 1 36 36 MET HB3 H 1 2.018 0.02 . . . . . . . . . . 6431 1 400 . 1 1 36 36 MET HG2 H 1 2.595 0.02 . . . . . . . . . . 6431 1 401 . 1 1 36 36 MET HG3 H 1 2.525 0.02 . . . . . . . . . . 6431 1 402 . 1 1 37 37 ALA H H 1 8.167 0.004 . . . . . . . . . . 6431 1 403 . 1 1 37 37 ALA N N 15 125.073 0.089 . . . . . . . . . . 6431 1 404 . 1 1 37 37 ALA CA C 13 53.148 0.036 . . . . . . . . . . 6431 1 405 . 1 1 37 37 ALA HA H 1 4.158 0.003 . . . . . . . . . . 6431 1 406 . 1 1 37 37 ALA C C 13 178.635 0.02 . . . . . . . . . . 6431 1 407 . 1 1 37 37 ALA CB C 13 18.629 0.148 . . . . . . . . . . 6431 1 408 . 1 1 37 37 ALA HB1 H 1 1.369 0.001 . . . . . . . . . . 6431 1 409 . 1 1 37 37 ALA HB2 H 1 1.369 0.001 . . . . . . . . . . 6431 1 410 . 1 1 37 37 ALA HB3 H 1 1.369 0.001 . . . . . . . . . . 6431 1 411 . 1 1 38 38 LYS H H 1 8.107 0.004 . . . . . . . . . . 6431 1 412 . 1 1 38 38 LYS N N 15 121.048 0.081 . . . . . . . . . . 6431 1 413 . 1 1 38 38 LYS CA C 13 56.937 0.018 . . . . . . . . . . 6431 1 414 . 1 1 38 38 LYS HA H 1 4.152 0.002 . . . . . . . . . . 6431 1 415 . 1 1 38 38 LYS C C 13 177.37 0.02 . . . . . . . . . . 6431 1 416 . 1 1 38 38 LYS CB C 13 32.719 0.026 . . . . . . . . . . 6431 1 417 . 1 1 38 38 LYS HB2 H 1 1.755 0.02 . . . . . . . . . . 6431 1 418 . 1 1 38 38 LYS HB3 H 1 1.755 0.02 . . . . . . . . . . 6431 1 419 . 1 1 38 38 LYS CG C 13 24.63 0.02 . . . . . . . . . . 6431 1 420 . 1 1 38 38 LYS HG2 H 1 1.462 0.02 . . . . . . . . . . 6431 1 421 . 1 1 38 38 LYS HG3 H 1 1.453 0.02 . . . . . . . . . . 6431 1 422 . 1 1 38 38 LYS CD C 13 29.57 0.02 . . . . . . . . . . 6431 1 423 . 1 1 38 38 LYS HD2 H 1 1.61 0.02 . . . . . . . . . . 6431 1 424 . 1 1 38 38 LYS HD3 H 1 1.606 0.02 . . . . . . . . . . 6431 1 425 . 1 1 38 38 LYS CE C 13 41.9 0.02 . . . . . . . . . . 6431 1 426 . 1 1 38 38 LYS HE2 H 1 2.881 0.02 . . . . . . . . . . 6431 1 427 . 1 1 38 38 LYS HE3 H 1 2.881 0.02 . . . . . . . . . . 6431 1 428 . 1 1 39 39 LYS H H 1 8.156 0.003 . . . . . . . . . . 6431 1 429 . 1 1 39 39 LYS N N 15 122.883 0.065 . . . . . . . . . . 6431 1 430 . 1 1 39 39 LYS CA C 13 56.504 0.677 . . . . . . . . . . 6431 1 431 . 1 1 39 39 LYS HA H 1 4.162 0.009 . . . . . . . . . . 6431 1 432 . 1 1 39 39 LYS C C 13 177.14 0.02 . . . . . . . . . . 6431 1 433 . 1 1 39 39 LYS CB C 13 32.811 0.053 . . . . . . . . . . 6431 1 434 . 1 1 39 39 LYS HB2 H 1 1.769 0.001 . . . . . . . . . . 6431 1 435 . 1 1 39 39 LYS HB3 H 1 1.768 0.02 . . . . . . . . . . 6431 1 436 . 1 1 39 39 LYS CG C 13 24.7 0.02 . . . . . . . . . . 6431 1 437 . 1 1 39 39 LYS HG2 H 1 1.454 0.02 . . . . . . . . . . 6431 1 438 . 1 1 39 39 LYS HG3 H 1 1.454 0.02 . . . . . . . . . . 6431 1 439 . 1 1 39 39 LYS CD C 13 29 0.02 . . . . . . . . . . 6431 1 440 . 1 1 39 39 LYS HD2 H 1 1.623 0.02 . . . . . . . . . . 6431 1 441 . 1 1 39 39 LYS HD3 H 1 1.623 0.02 . . . . . . . . . . 6431 1 442 . 1 1 39 39 LYS CE C 13 41.92 0.02 . . . . . . . . . . 6431 1 443 . 1 1 39 39 LYS HE2 H 1 2.875 0.02 . . . . . . . . . . 6431 1 444 . 1 1 39 39 LYS HE3 H 1 2.875 0.02 . . . . . . . . . . 6431 1 445 . 1 1 40 40 LEU H H 1 8.154 0.006 . . . . . . . . . . 6431 1 446 . 1 1 40 40 LEU N N 15 123.514 0.116 . . . . . . . . . . 6431 1 447 . 1 1 40 40 LEU CA C 13 55.821 0.738 . . . . . . . . . . 6431 1 448 . 1 1 40 40 LEU HA H 1 4.246 0.004 . . . . . . . . . . 6431 1 449 . 1 1 40 40 LEU C C 13 177.612 0.02 . . . . . . . . . . 6431 1 450 . 1 1 40 40 LEU CB C 13 42.139 0.067 . . . . . . . . . . 6431 1 451 . 1 1 40 40 LEU HB2 H 1 1.623 0.001 . . . . . . . . . . 6431 1 452 . 1 1 40 40 LEU HB3 H 1 1.623 0.02 . . . . . . . . . . 6431 1 453 . 1 1 40 40 LEU CG C 13 26.86 0.02 . . . . . . . . . . 6431 1 454 . 1 1 40 40 LEU CD1 C 13 24.56 0.02 . . . . . . . . . . 6431 1 455 . 1 1 40 40 LEU HD11 H 1 0.871 0.02 . . . . . . . . . . 6431 1 456 . 1 1 40 40 LEU HD12 H 1 0.871 0.02 . . . . . . . . . . 6431 1 457 . 1 1 40 40 LEU HD13 H 1 0.871 0.02 . . . . . . . . . . 6431 1 458 . 1 1 40 40 LEU CD2 C 13 23.21 0.02 . . . . . . . . . . 6431 1 459 . 1 1 40 40 LEU HD21 H 1 0.819 0.02 . . . . . . . . . . 6431 1 460 . 1 1 40 40 LEU HD22 H 1 0.819 0.02 . . . . . . . . . . 6431 1 461 . 1 1 40 40 LEU HD23 H 1 0.819 0.02 . . . . . . . . . . 6431 1 462 . 1 1 40 40 LEU HG H 1 1.524 0.02 . . . . . . . . . . 6431 1 463 . 1 1 41 41 GLU H H 1 8.222 0.008 . . . . . . . . . . 6431 1 464 . 1 1 41 41 GLU N N 15 122.524 0.073 . . . . . . . . . . 6431 1 465 . 1 1 41 41 GLU CA C 13 56.52 0.084 . . . . . . . . . . 6431 1 466 . 1 1 41 41 GLU HA H 1 4.184 0.005 . . . . . . . . . . 6431 1 467 . 1 1 41 41 GLU C C 13 176.471 0.02 . . . . . . . . . . 6431 1 468 . 1 1 41 41 GLU CB C 13 30.306 0.155 . . . . . . . . . . 6431 1 469 . 1 1 41 41 GLU HB2 H 1 1.912 0.02 . . . . . . . . . . 6431 1 470 . 1 1 41 41 GLU HB3 H 1 1.912 0.02 . . . . . . . . . . 6431 1 471 . 1 1 41 41 GLU HG2 H 1 2.254 0.02 . . . . . . . . . . 6431 1 472 . 1 1 41 41 GLU HG3 H 1 2.18 0.02 . . . . . . . . . . 6431 1 473 . 1 1 42 42 GLN H H 1 8.322 0.008 . . . . . . . . . . 6431 1 474 . 1 1 42 42 GLN N N 15 122.405 0.105 . . . . . . . . . . 6431 1 475 . 1 1 42 42 GLN CA C 13 55.485 0.147 . . . . . . . . . . 6431 1 476 . 1 1 42 42 GLN HA H 1 4.254 0.008 . . . . . . . . . . 6431 1 477 . 1 1 42 42 GLN C C 13 175.733 0.02 . . . . . . . . . . 6431 1 478 . 1 1 42 42 GLN CB C 13 29.65 0.167 . . . . . . . . . . 6431 1 479 . 1 1 42 42 GLN HB2 H 1 2.026 0.003 . . . . . . . . . . 6431 1 480 . 1 1 42 42 GLN HB3 H 1 1.909 0.004 . . . . . . . . . . 6431 1 481 . 1 1 42 42 GLN CG C 13 35.52 0.02 . . . . . . . . . . 6431 1 482 . 1 1 42 42 GLN HG2 H 1 2.305 0.002 . . . . . . . . . . 6431 1 483 . 1 1 42 42 GLN HG3 H 1 2.305 0.002 . . . . . . . . . . 6431 1 484 . 1 1 43 43 LYS H H 1 8.412 0.004 . . . . . . . . . . 6431 1 485 . 1 1 43 43 LYS N N 15 125.404 0.052 . . . . . . . . . . 6431 1 486 . 1 1 43 43 LYS CA C 13 54.352 0.02 . . . . . . . . . . 6431 1 487 . 1 1 43 43 LYS HA H 1 4.529 0.002 . . . . . . . . . . 6431 1 488 . 1 1 43 43 LYS CB C 13 32.289 0.02 . . . . . . . . . . 6431 1 489 . 1 1 43 43 LYS HB2 H 1 1.755 0.02 . . . . . . . . . . 6431 1 490 . 1 1 43 43 LYS HB3 H 1 1.759 0.02 . . . . . . . . . . 6431 1 491 . 1 1 43 43 LYS CG C 13 24.68 0.02 . . . . . . . . . . 6431 1 492 . 1 1 43 43 LYS HG2 H 1 1.429 0.02 . . . . . . . . . . 6431 1 493 . 1 1 43 43 LYS HG3 H 1 1.429 0.02 . . . . . . . . . . 6431 1 494 . 1 1 43 43 LYS CD C 13 28.85 0.02 . . . . . . . . . . 6431 1 495 . 1 1 43 43 LYS HD2 H 1 1.671 0.02 . . . . . . . . . . 6431 1 496 . 1 1 43 43 LYS HD3 H 1 1.671 0.02 . . . . . . . . . . 6431 1 497 . 1 1 43 43 LYS CE C 13 41.88 0.02 . . . . . . . . . . 6431 1 498 . 1 1 43 43 LYS HE2 H 1 2.882 0.02 . . . . . . . . . . 6431 1 499 . 1 1 43 43 LYS HE3 H 1 2.882 0.02 . . . . . . . . . . 6431 1 500 . 1 1 44 44 PRO CA C 13 62.907 0.11 . . . . . . . . . . 6431 1 501 . 1 1 44 44 PRO HA H 1 4.362 0.002 . . . . . . . . . . 6431 1 502 . 1 1 44 44 PRO C C 13 176.981 0.02 . . . . . . . . . . 6431 1 503 . 1 1 44 44 PRO CB C 13 32.244 0.02 . . . . . . . . . . 6431 1 504 . 1 1 44 44 PRO CG C 13 27.26 0.02 . . . . . . . . . . 6431 1 505 . 1 1 44 44 PRO CD C 13 50.81 0.02 . . . . . . . . . . 6431 1 506 . 1 1 44 44 PRO HD2 H 1 3.841 0.02 . . . . . . . . . . 6431 1 507 . 1 1 44 44 PRO HD3 H 1 3.841 0.02 . . . . . . . . . . 6431 1 508 . 1 1 45 45 LYS H H 1 8.59 0.004 . . . . . . . . . . 6431 1 509 . 1 1 45 45 LYS N N 15 123.271 0.058 . . . . . . . . . . 6431 1 510 . 1 1 45 45 LYS CA C 13 56.512 0.048 . . . . . . . . . . 6431 1 511 . 1 1 45 45 LYS HA H 1 4.218 0.005 . . . . . . . . . . 6431 1 512 . 1 1 45 45 LYS C C 13 177.375 0.02 . . . . . . . . . . 6431 1 513 . 1 1 45 45 LYS CB C 13 32.887 0.133 . . . . . . . . . . 6431 1 514 . 1 1 45 45 LYS HB2 H 1 1.735 0.02 . . . . . . . . . . 6431 1 515 . 1 1 45 45 LYS HB3 H 1 1.735 0.02 . . . . . . . . . . 6431 1 516 . 1 1 45 45 LYS CG C 13 24.71 0.02 . . . . . . . . . . 6431 1 517 . 1 1 45 45 LYS HG2 H 1 1.594 0.179 . . . . . . . . . . 6431 1 518 . 1 1 45 45 LYS HG3 H 1 1.415 0.02 . . . . . . . . . . 6431 1 519 . 1 1 45 45 LYS CD C 13 28.85 0.02 . . . . . . . . . . 6431 1 520 . 1 1 45 45 LYS HD2 H 1 1.621 0.02 . . . . . . . . . . 6431 1 521 . 1 1 45 45 LYS HD3 H 1 1.621 0.02 . . . . . . . . . . 6431 1 522 . 1 1 45 45 LYS CE C 13 41.89 0.02 . . . . . . . . . . 6431 1 523 . 1 1 45 45 LYS HE2 H 1 2.86 0.02 . . . . . . . . . . 6431 1 524 . 1 1 45 45 LYS HE3 H 1 2.86 0.02 . . . . . . . . . . 6431 1 525 . 1 1 46 46 GLY H H 1 8.497 0.003 . . . . . . . . . . 6431 1 526 . 1 1 46 46 GLY N N 15 111.228 0.077 . . . . . . . . . . 6431 1 527 . 1 1 46 46 GLY CA C 13 45.083 0.045 . . . . . . . . . . 6431 1 528 . 1 1 46 46 GLY HA2 H 1 3.904 0.002 . . . . . . . . . . 6431 1 529 . 1 1 46 46 GLY HA3 H 1 3.904 0.002 . . . . . . . . . . 6431 1 530 . 1 1 46 46 GLY C C 13 174.054 0.02 . . . . . . . . . . 6431 1 531 . 1 1 47 47 GLU H H 1 8.375 0.003 . . . . . . . . . . 6431 1 532 . 1 1 47 47 GLU N N 15 121.568 0.122 . . . . . . . . . . 6431 1 533 . 1 1 47 47 GLU CA C 13 56.452 0.057 . . . . . . . . . . 6431 1 534 . 1 1 47 47 GLU HA H 1 4.247 0.02 . . . . . . . . . . 6431 1 535 . 1 1 47 47 GLU C C 13 177.085 0.02 . . . . . . . . . . 6431 1 536 . 1 1 47 47 GLU CB C 13 30.411 0.076 . . . . . . . . . . 6431 1 537 . 1 1 47 47 GLU HB2 H 1 1.861 0.02 . . . . . . . . . . 6431 1 538 . 1 1 47 47 GLU HB3 H 1 1.861 0.02 . . . . . . . . . . 6431 1 539 . 1 1 47 47 GLU CG C 13 36.18 0.02 . . . . . . . . . . 6431 1 540 . 1 1 47 47 GLU HG2 H 1 2.196 0.02 . . . . . . . . . . 6431 1 541 . 1 1 47 47 GLU HG3 H 1 2.019 0.02 . . . . . . . . . . 6431 1 542 . 1 1 48 48 GLY H H 1 8.546 0.003 . . . . . . . . . . 6431 1 543 . 1 1 48 48 GLY N N 15 111.211 0.08 . . . . . . . . . . 6431 1 544 . 1 1 48 48 GLY CA C 13 45.013 0.1 . . . . . . . . . . 6431 1 545 . 1 1 48 48 GLY HA2 H 1 3.861 0.003 . . . . . . . . . . 6431 1 546 . 1 1 48 48 GLY HA3 H 1 3.861 0.003 . . . . . . . . . . 6431 1 547 . 1 1 48 48 GLY C C 13 173.766 0.02 . . . . . . . . . . 6431 1 548 . 1 1 49 49 ILE H H 1 8.084 0.002 . . . . . . . . . . 6431 1 549 . 1 1 49 49 ILE N N 15 123.093 0.071 . . . . . . . . . . 6431 1 550 . 1 1 49 49 ILE CA C 13 58.613 0.02 . . . . . . . . . . 6431 1 551 . 1 1 49 49 ILE HA H 1 4.404 0.02 . . . . . . . . . . 6431 1 552 . 1 1 49 49 ILE CB C 13 38.427 0.02 . . . . . . . . . . 6431 1 553 . 1 1 49 49 ILE HB H 1 1.8 0.02 . . . . . . . . . . 6431 1 554 . 1 1 49 49 ILE CG2 C 13 16.89 0.02 . . . . . . . . . . 6431 1 555 . 1 1 49 49 ILE HG21 H 1 0.9 0.02 . . . . . . . . . . 6431 1 556 . 1 1 49 49 ILE HG22 H 1 0.9 0.02 . . . . . . . . . . 6431 1 557 . 1 1 49 49 ILE HG23 H 1 0.9 0.02 . . . . . . . . . . 6431 1 558 . 1 1 49 49 ILE CG1 C 13 26.59 0.02 . . . . . . . . . . 6431 1 559 . 1 1 49 49 ILE HG12 H 1 1.429 0.02 . . . . . . . . . . 6431 1 560 . 1 1 49 49 ILE HG13 H 1 1.084 0.02 . . . . . . . . . . 6431 1 561 . 1 1 49 49 ILE CD1 C 13 12.51 0.02 . . . . . . . . . . 6431 1 562 . 1 1 49 49 ILE HD11 H 1 0.805 0.02 . . . . . . . . . . 6431 1 563 . 1 1 49 49 ILE HD12 H 1 0.805 0.02 . . . . . . . . . . 6431 1 564 . 1 1 49 49 ILE HD13 H 1 0.805 0.02 . . . . . . . . . . 6431 1 565 . 1 1 50 50 PRO CA C 13 63.126 0.077 . . . . . . . . . . 6431 1 566 . 1 1 50 50 PRO HA H 1 4.451 0.001 . . . . . . . . . . 6431 1 567 . 1 1 50 50 PRO C C 13 177.211 0.02 . . . . . . . . . . 6431 1 568 . 1 1 50 50 PRO CB C 13 32.279 0.069 . . . . . . . . . . 6431 1 569 . 1 1 50 50 PRO HB2 H 1 2.265 0.02 . . . . . . . . . . 6431 1 570 . 1 1 50 50 PRO HB3 H 1 2.265 0.02 . . . . . . . . . . 6431 1 571 . 1 1 50 50 PRO CG C 13 27.23 0.02 . . . . . . . . . . 6431 1 572 . 1 1 50 50 PRO HG2 H 1 1.857 0.02 . . . . . . . . . . 6431 1 573 . 1 1 50 50 PRO HG3 H 1 1.858 0.02 . . . . . . . . . . 6431 1 574 . 1 1 50 50 PRO CD C 13 50.85 0.02 . . . . . . . . . . 6431 1 575 . 1 1 50 50 PRO HD2 H 1 3.828 0.02 . . . . . . . . . . 6431 1 576 . 1 1 50 50 PRO HD3 H 1 3.828 0.02 . . . . . . . . . . 6431 1 577 . 1 1 51 51 THR H H 1 8.439 0.002 . . . . . . . . . . 6431 1 578 . 1 1 51 51 THR N N 15 116.363 0.084 . . . . . . . . . . 6431 1 579 . 1 1 51 51 THR CA C 13 61.96 0.1 . . . . . . . . . . 6431 1 580 . 1 1 51 51 THR HA H 1 4.304 0.002 . . . . . . . . . . 6431 1 581 . 1 1 51 51 THR C C 13 174.865 0.02 . . . . . . . . . . 6431 1 582 . 1 1 51 51 THR CB C 13 69.671 0.082 . . . . . . . . . . 6431 1 583 . 1 1 51 51 THR HB H 1 4.19 0.02 . . . . . . . . . . 6431 1 584 . 1 1 51 51 THR HG21 H 1 1.191 0.02 . . . . . . . . . . 6431 1 585 . 1 1 51 51 THR HG22 H 1 1.191 0.02 . . . . . . . . . . 6431 1 586 . 1 1 51 51 THR HG23 H 1 1.191 0.02 . . . . . . . . . . 6431 1 587 . 1 1 52 52 THR H H 1 8.14 0.001 . . . . . . . . . . 6431 1 588 . 1 1 52 52 THR N N 15 117.341 0.046 . . . . . . . . . . 6431 1 589 . 1 1 52 52 THR CA C 13 61.662 0.051 . . . . . . . . . . 6431 1 590 . 1 1 52 52 THR HA H 1 4.248 0.005 . . . . . . . . . . 6431 1 591 . 1 1 52 52 THR C C 13 174.253 0.02 . . . . . . . . . . 6431 1 592 . 1 1 52 52 THR CB C 13 69.75 0.009 . . . . . . . . . . 6431 1 593 . 1 1 52 52 THR HB H 1 4.159 0.009 . . . . . . . . . . 6431 1 594 . 1 1 52 52 THR HG21 H 1 1.16 0.002 . . . . . . . . . . 6431 1 595 . 1 1 52 52 THR HG22 H 1 1.16 0.002 . . . . . . . . . . 6431 1 596 . 1 1 52 52 THR HG23 H 1 1.16 0.002 . . . . . . . . . . 6431 1 597 . 1 1 53 53 ALA H H 1 8.35 0.002 . . . . . . . . . . 6431 1 598 . 1 1 53 53 ALA N N 15 127.985 0.123 . . . . . . . . . . 6431 1 599 . 1 1 53 53 ALA CA C 13 52.499 0.053 . . . . . . . . . . 6431 1 600 . 1 1 53 53 ALA HA H 1 4.235 0.008 . . . . . . . . . . 6431 1 601 . 1 1 53 53 ALA C C 13 177.725 0.02 . . . . . . . . . . 6431 1 602 . 1 1 53 53 ALA CB C 13 19.066 0.175 . . . . . . . . . . 6431 1 603 . 1 1 53 53 ALA HB1 H 1 1.315 0.003 . . . . . . . . . . 6431 1 604 . 1 1 53 53 ALA HB2 H 1 1.315 0.003 . . . . . . . . . . 6431 1 605 . 1 1 53 53 ALA HB3 H 1 1.315 0.003 . . . . . . . . . . 6431 1 606 . 1 1 54 54 LYS H H 1 8.326 0.004 . . . . . . . . . . 6431 1 607 . 1 1 54 54 LYS N N 15 122.378 0.046 . . . . . . . . . . 6431 1 608 . 1 1 54 54 LYS CA C 13 56.044 0.027 . . . . . . . . . . 6431 1 609 . 1 1 54 54 LYS HA H 1 4.208 0.007 . . . . . . . . . . 6431 1 610 . 1 1 54 54 LYS C C 13 176.507 0.02 . . . . . . . . . . 6431 1 611 . 1 1 54 54 LYS CB C 13 32.952 0.02 . . . . . . . . . . 6431 1 612 . 1 1 54 54 LYS HB2 H 1 1.757 0.02 . . . . . . . . . . 6431 1 613 . 1 1 54 54 LYS HB3 H 1 1.757 0.02 . . . . . . . . . . 6431 1 614 . 1 1 54 54 LYS CG C 13 24.82 0.02 . . . . . . . . . . 6431 1 615 . 1 1 54 54 LYS HG2 H 1 1.483 0.02 . . . . . . . . . . 6431 1 616 . 1 1 54 54 LYS HG3 H 1 1.483 0.02 . . . . . . . . . . 6431 1 617 . 1 1 54 54 LYS CD C 13 29.69 0.02 . . . . . . . . . . 6431 1 618 . 1 1 54 54 LYS HD2 H 1 1.671 0.02 . . . . . . . . . . 6431 1 619 . 1 1 54 54 LYS HD3 H 1 1.67 0.02 . . . . . . . . . . 6431 1 620 . 1 1 54 54 LYS CE C 13 41.89 0.02 . . . . . . . . . . 6431 1 621 . 1 1 54 54 LYS HE2 H 1 2.88 0.02 . . . . . . . . . . 6431 1 622 . 1 1 54 54 LYS HE3 H 1 2.88 0.02 . . . . . . . . . . 6431 1 623 . 1 1 55 55 LEU H H 1 8.301 0.002 . . . . . . . . . . 6431 1 624 . 1 1 55 55 LEU N N 15 125.105 0.041 . . . . . . . . . . 6431 1 625 . 1 1 55 55 LEU CA C 13 55.292 0.106 . . . . . . . . . . 6431 1 626 . 1 1 55 55 LEU HA H 1 4.252 0.005 . . . . . . . . . . 6431 1 627 . 1 1 55 55 LEU C C 13 177.214 0.02 . . . . . . . . . . 6431 1 628 . 1 1 55 55 LEU CB C 13 42.329 0.036 . . . . . . . . . . 6431 1 629 . 1 1 55 55 LEU HB2 H 1 1.74 0.02 . . . . . . . . . . 6431 1 630 . 1 1 55 55 LEU HB3 H 1 1.74 0.02 . . . . . . . . . . 6431 1 631 . 1 1 55 55 LEU CG C 13 26.8 0.02 . . . . . . . . . . 6431 1 632 . 1 1 55 55 LEU CD1 C 13 24.52 0.02 . . . . . . . . . . 6431 1 633 . 1 1 55 55 LEU HD11 H 1 0.816 0.02 . . . . . . . . . . 6431 1 634 . 1 1 55 55 LEU HD12 H 1 0.816 0.02 . . . . . . . . . . 6431 1 635 . 1 1 55 55 LEU HD13 H 1 0.816 0.02 . . . . . . . . . . 6431 1 636 . 1 1 55 55 LEU CD2 C 13 23.42 0.02 . . . . . . . . . . 6431 1 637 . 1 1 55 55 LEU HD21 H 1 0.816 0.02 . . . . . . . . . . 6431 1 638 . 1 1 55 55 LEU HD22 H 1 0.816 0.02 . . . . . . . . . . 6431 1 639 . 1 1 55 55 LEU HD23 H 1 0.816 0.02 . . . . . . . . . . 6431 1 640 . 1 1 55 55 LEU HG H 1 1.57 0.007 . . . . . . . . . . 6431 1 641 . 1 1 56 56 LYS H H 1 8.399 0.003 . . . . . . . . . . 6431 1 642 . 1 1 56 56 LYS N N 15 124.356 0.04 . . . . . . . . . . 6431 1 643 . 1 1 56 56 LYS CA C 13 56.081 0.053 . . . . . . . . . . 6431 1 644 . 1 1 56 56 LYS HA H 1 4.27 0.008 . . . . . . . . . . 6431 1 645 . 1 1 56 56 LYS C C 13 174.906 0.02 . . . . . . . . . . 6431 1 646 . 1 1 56 56 LYS CB C 13 33.01 0.034 . . . . . . . . . . 6431 1 647 . 1 1 56 56 LYS HB2 H 1 1.682 0.02 . . . . . . . . . . 6431 1 648 . 1 1 56 56 LYS HB3 H 1 1.682 0.02 . . . . . . . . . . 6431 1 649 . 1 1 56 56 LYS CG C 13 24.82 0.02 . . . . . . . . . . 6431 1 650 . 1 1 56 56 LYS HG2 H 1 1.483 0.02 . . . . . . . . . . 6431 1 651 . 1 1 56 56 LYS HG3 H 1 1.336 0.02 . . . . . . . . . . 6431 1 652 . 1 1 56 56 LYS CD C 13 29.1 0.02 . . . . . . . . . . 6431 1 653 . 1 1 56 56 LYS CE C 13 41.86 0.02 . . . . . . . . . . 6431 1 654 . 1 1 56 56 LYS HE2 H 1 2.879 0.02 . . . . . . . . . . 6431 1 655 . 1 1 56 56 LYS HE3 H 1 2.879 0.02 . . . . . . . . . . 6431 1 656 . 1 1 57 57 VAL H H 1 8.268 0.005 . . . . . . . . . . 6431 1 657 . 1 1 57 57 VAL N N 15 123.139 0.04 . . . . . . . . . . 6431 1 658 . 1 1 57 57 VAL CA C 13 62.198 0.037 . . . . . . . . . . 6431 1 659 . 1 1 57 57 VAL HA H 1 4.015 0.004 . . . . . . . . . . 6431 1 660 . 1 1 57 57 VAL C C 13 175.844 0.02 . . . . . . . . . . 6431 1 661 . 1 1 57 57 VAL CB C 13 32.85 0.018 . . . . . . . . . . 6431 1 662 . 1 1 57 57 VAL HB H 1 1.992 0.02 . . . . . . . . . . 6431 1 663 . 1 1 57 57 VAL CG1 C 13 20.63 0.02 . . . . . . . . . . 6431 1 664 . 1 1 57 57 VAL HG11 H 1 0.853 0.02 . . . . . . . . . . 6431 1 665 . 1 1 57 57 VAL HG12 H 1 0.853 0.02 . . . . . . . . . . 6431 1 666 . 1 1 57 57 VAL HG13 H 1 0.853 0.02 . . . . . . . . . . 6431 1 667 . 1 1 57 57 VAL CG2 C 13 20.63 0.02 . . . . . . . . . . 6431 1 668 . 1 1 57 57 VAL HG21 H 1 0.853 0.02 . . . . . . . . . . 6431 1 669 . 1 1 57 57 VAL HG22 H 1 0.853 0.02 . . . . . . . . . . 6431 1 670 . 1 1 57 57 VAL HG23 H 1 0.853 0.02 . . . . . . . . . . 6431 1 671 . 1 1 58 58 ASP H H 1 8.434 0.002 . . . . . . . . . . 6431 1 672 . 1 1 58 58 ASP N N 15 124.752 0.086 . . . . . . . . . . 6431 1 673 . 1 1 58 58 ASP CA C 13 54.263 0.025 . . . . . . . . . . 6431 1 674 . 1 1 58 58 ASP HA H 1 4.498 0.02 . . . . . . . . . . 6431 1 675 . 1 1 58 58 ASP C C 13 176.214 0.02 . . . . . . . . . . 6431 1 676 . 1 1 58 58 ASP CB C 13 41.113 0.042 . . . . . . . . . . 6431 1 677 . 1 1 58 58 ASP HB2 H 1 2.55 0.027 . . . . . . . . . . 6431 1 678 . 1 1 58 58 ASP HB3 H 1 2.521 0.002 . . . . . . . . . . 6431 1 679 . 1 1 59 59 GLU H H 1 8.346 0.005 . . . . . . . . . . 6431 1 680 . 1 1 59 59 GLU N N 15 122.498 0.062 . . . . . . . . . . 6431 1 681 . 1 1 59 59 GLU CA C 13 56.695 0.162 . . . . . . . . . . 6431 1 682 . 1 1 59 59 GLU HA H 1 4.101 0.006 . . . . . . . . . . 6431 1 683 . 1 1 59 59 GLU C C 13 176.216 0.02 . . . . . . . . . . 6431 1 684 . 1 1 59 59 GLU CB C 13 30.217 0.044 . . . . . . . . . . 6431 1 685 . 1 1 59 59 GLU HB2 H 1 1.802 0.03 . . . . . . . . . . 6431 1 686 . 1 1 59 59 GLU HB3 H 1 1.773 0.001 . . . . . . . . . . 6431 1 687 . 1 1 59 59 GLU CG C 13 35.73 0.02 . . . . . . . . . . 6431 1 688 . 1 1 59 59 GLU HG2 H 1 2.023 0.001 . . . . . . . . . . 6431 1 689 . 1 1 59 59 GLU HG3 H 1 1.95 0.003 . . . . . . . . . . 6431 1 690 . 1 1 60 60 PHE H H 1 8.266 0.002 . . . . . . . . . . 6431 1 691 . 1 1 60 60 PHE N N 15 121.293 0.12 . . . . . . . . . . 6431 1 692 . 1 1 60 60 PHE CA C 13 57.925 0.363 . . . . . . . . . . 6431 1 693 . 1 1 60 60 PHE HA H 1 4.556 0.002 . . . . . . . . . . 6431 1 694 . 1 1 60 60 PHE C C 13 175.854 0.02 . . . . . . . . . . 6431 1 695 . 1 1 60 60 PHE CB C 13 39.192 0.188 . . . . . . . . . . 6431 1 696 . 1 1 60 60 PHE HB2 H 1 3.12 0.003 . . . . . . . . . . 6431 1 697 . 1 1 60 60 PHE HB3 H 1 2.965 0.002 . . . . . . . . . . 6431 1 698 . 1 1 60 60 PHE HD1 H 1 7.185 0.02 . . . . . . . . . . 6431 1 699 . 1 1 60 60 PHE HD2 H 1 7.185 0.02 . . . . . . . . . . 6431 1 700 . 1 1 60 60 PHE HE1 H 1 7.057 0.02 . . . . . . . . . . 6431 1 701 . 1 1 60 60 PHE HE2 H 1 7.057 0.02 . . . . . . . . . . 6431 1 702 . 1 1 61 61 GLU H H 1 8.283 0.005 . . . . . . . . . . 6431 1 703 . 1 1 61 61 GLU N N 15 123.37 0.07 . . . . . . . . . . 6431 1 704 . 1 1 61 61 GLU CA C 13 56.409 0.032 . . . . . . . . . . 6431 1 705 . 1 1 61 61 GLU HA H 1 4.187 0.001 . . . . . . . . . . 6431 1 706 . 1 1 61 61 GLU C C 13 176.243 0.02 . . . . . . . . . . 6431 1 707 . 1 1 61 61 GLU CB C 13 30.335 0.044 . . . . . . . . . . 6431 1 708 . 1 1 61 61 GLU HB2 H 1 1.906 0.05 . . . . . . . . . . 6431 1 709 . 1 1 61 61 GLU HB3 H 1 1.909 0.043 . . . . . . . . . . 6431 1 710 . 1 1 61 61 GLU CG C 13 36.15 0.02 . . . . . . . . . . 6431 1 711 . 1 1 61 61 GLU HG2 H 1 2.162 0.001 . . . . . . . . . . 6431 1 712 . 1 1 61 61 GLU HG3 H 1 2.15 0.02 . . . . . . . . . . 6431 1 713 . 1 1 62 62 SER H H 1 8.373 0.002 . . . . . . . . . . 6431 1 714 . 1 1 62 62 SER N N 15 118.039 0.079 . . . . . . . . . . 6431 1 715 . 1 1 62 62 SER CA C 13 58.37 0.07 . . . . . . . . . . 6431 1 716 . 1 1 62 62 SER HA H 1 4.335 0.008 . . . . . . . . . . 6431 1 717 . 1 1 62 62 SER C C 13 174.35 0.02 . . . . . . . . . . 6431 1 718 . 1 1 62 62 SER CB C 13 63.74 0.359 . . . . . . . . . . 6431 1 719 . 1 1 62 62 SER HB2 H 1 3.793 0.003 . . . . . . . . . . 6431 1 720 . 1 1 62 62 SER HB3 H 1 3.79 0.02 . . . . . . . . . . 6431 1 721 . 1 1 63 63 ASN H H 1 8.562 0.003 . . . . . . . . . . 6431 1 722 . 1 1 63 63 ASN N N 15 122.254 0.062 . . . . . . . . . . 6431 1 723 . 1 1 63 63 ASN CA C 13 53.133 0.032 . . . . . . . . . . 6431 1 724 . 1 1 63 63 ASN HA H 1 4.695 0.001 . . . . . . . . . . 6431 1 725 . 1 1 63 63 ASN C C 13 175.5 0.02 . . . . . . . . . . 6431 1 726 . 1 1 63 63 ASN CB C 13 38.82 0.003 . . . . . . . . . . 6431 1 727 . 1 1 63 63 ASN HB2 H 1 2.752 0.003 . . . . . . . . . . 6431 1 728 . 1 1 63 63 ASN HB3 H 1 2.718 0.003 . . . . . . . . . . 6431 1 729 . 1 1 64 64 VAL H H 1 8.126 0.003 . . . . . . . . . . 6431 1 730 . 1 1 64 64 VAL N N 15 121.083 0.059 . . . . . . . . . . 6431 1 731 . 1 1 64 64 VAL CA C 13 62.604 0.079 . . . . . . . . . . 6431 1 732 . 1 1 64 64 VAL HA H 1 4.01 0.002 . . . . . . . . . . 6431 1 733 . 1 1 64 64 VAL C C 13 176.031 0.02 . . . . . . . . . . 6431 1 734 . 1 1 64 64 VAL CB C 13 32.521 0.113 . . . . . . . . . . 6431 1 735 . 1 1 64 64 VAL HB H 1 2.042 0.009 . . . . . . . . . . 6431 1 736 . 1 1 64 64 VAL CG1 C 13 20.81 0.02 . . . . . . . . . . 6431 1 737 . 1 1 64 64 VAL HG11 H 1 0.851 0.02 . . . . . . . . . . 6431 1 738 . 1 1 64 64 VAL HG12 H 1 0.851 0.02 . . . . . . . . . . 6431 1 739 . 1 1 64 64 VAL HG13 H 1 0.851 0.02 . . . . . . . . . . 6431 1 740 . 1 1 64 64 VAL CG2 C 13 20.81 0.02 . . . . . . . . . . 6431 1 741 . 1 1 64 64 VAL HG21 H 1 0.851 0.02 . . . . . . . . . . 6431 1 742 . 1 1 64 64 VAL HG22 H 1 0.851 0.02 . . . . . . . . . . 6431 1 743 . 1 1 64 64 VAL HG23 H 1 0.851 0.02 . . . . . . . . . . 6431 1 744 . 1 1 65 65 ASN H H 1 8.504 0.003 . . . . . . . . . . 6431 1 745 . 1 1 65 65 ASN N N 15 122.468 0.149 . . . . . . . . . . 6431 1 746 . 1 1 65 65 ASN CA C 13 53.159 0.035 . . . . . . . . . . 6431 1 747 . 1 1 65 65 ASN HA H 1 4.649 0.001 . . . . . . . . . . 6431 1 748 . 1 1 65 65 ASN C C 13 174.952 0.02 . . . . . . . . . . 6431 1 749 . 1 1 65 65 ASN CB C 13 38.931 0.048 . . . . . . . . . . 6431 1 750 . 1 1 65 65 ASN HB2 H 1 2.753 0.02 . . . . . . . . . . 6431 1 751 . 1 1 65 65 ASN HB3 H 1 2.647 0.02 . . . . . . . . . . 6431 1 752 . 1 1 66 66 GLU H H 1 8.242 0.005 . . . . . . . . . . 6431 1 753 . 1 1 66 66 GLU N N 15 122.734 0.045 . . . . . . . . . . 6431 1 754 . 1 1 66 66 GLU CA C 13 56.345 0.09 . . . . . . . . . . 6431 1 755 . 1 1 66 66 GLU HA H 1 4.202 0.008 . . . . . . . . . . 6431 1 756 . 1 1 66 66 GLU C C 13 176.142 0.02 . . . . . . . . . . 6431 1 757 . 1 1 66 66 GLU CB C 13 30.372 0.063 . . . . . . . . . . 6431 1 758 . 1 1 66 66 GLU HB2 H 1 1.945 0.02 . . . . . . . . . . 6431 1 759 . 1 1 66 66 GLU HB3 H 1 1.861 0.001 . . . . . . . . . . 6431 1 760 . 1 1 66 66 GLU CG C 13 36.02 0.02 . . . . . . . . . . 6431 1 761 . 1 1 66 66 GLU HG2 H 1 2.175 0.02 . . . . . . . . . . 6431 1 762 . 1 1 66 66 GLU HG3 H 1 2.104 0.02 . . . . . . . . . . 6431 1 763 . 1 1 67 67 VAL H H 1 8.306 0.004 . . . . . . . . . . 6431 1 764 . 1 1 67 67 VAL N N 15 124.035 0.096 . . . . . . . . . . 6431 1 765 . 1 1 67 67 VAL CA C 13 62.285 0.067 . . . . . . . . . . 6431 1 766 . 1 1 67 67 VAL HA H 1 3.981 0.002 . . . . . . . . . . 6431 1 767 . 1 1 67 67 VAL C C 13 176.156 0.02 . . . . . . . . . . 6431 1 768 . 1 1 67 67 VAL CB C 13 32.561 0.006 . . . . . . . . . . 6431 1 769 . 1 1 67 67 VAL HB H 1 1.96 0.002 . . . . . . . . . . 6431 1 770 . 1 1 67 67 VAL CG1 C 13 20.71 0.02 . . . . . . . . . . 6431 1 771 . 1 1 67 67 VAL HG11 H 1 0.859 0.009 . . . . . . . . . . 6431 1 772 . 1 1 67 67 VAL HG12 H 1 0.859 0.009 . . . . . . . . . . 6431 1 773 . 1 1 67 67 VAL HG13 H 1 0.859 0.009 . . . . . . . . . . 6431 1 774 . 1 1 67 67 VAL CG2 C 13 20.71 0.02 . . . . . . . . . . 6431 1 775 . 1 1 67 67 VAL HG21 H 1 0.868 0.02 . . . . . . . . . . 6431 1 776 . 1 1 67 67 VAL HG22 H 1 0.868 0.02 . . . . . . . . . . 6431 1 777 . 1 1 67 67 VAL HG23 H 1 0.868 0.02 . . . . . . . . . . 6431 1 778 . 1 1 68 68 LYS H H 1 8.471 0.002 . . . . . . . . . . 6431 1 779 . 1 1 68 68 LYS N N 15 127.405 0.042 . . . . . . . . . . 6431 1 780 . 1 1 68 68 LYS CA C 13 55.885 0.092 . . . . . . . . . . 6431 1 781 . 1 1 68 68 LYS HA H 1 4.257 0.009 . . . . . . . . . . 6431 1 782 . 1 1 68 68 LYS C C 13 175.928 0.02 . . . . . . . . . . 6431 1 783 . 1 1 68 68 LYS CB C 13 31.647 0.544 . . . . . . . . . . 6431 1 784 . 1 1 68 68 LYS HB2 H 1 1.698 0.02 . . . . . . . . . . 6431 1 785 . 1 1 68 68 LYS HB3 H 1 1.694 0.02 . . . . . . . . . . 6431 1 786 . 1 1 68 68 LYS CG C 13 24.85 0.02 . . . . . . . . . . 6431 1 787 . 1 1 68 68 LYS HG2 H 1 1.327 0.02 . . . . . . . . . . 6431 1 788 . 1 1 68 68 LYS HG3 H 1 1.329 0.02 . . . . . . . . . . 6431 1 789 . 1 1 68 68 LYS CD C 13 29.5 0.02 . . . . . . . . . . 6431 1 790 . 1 1 68 68 LYS CE C 13 41.88 0.02 . . . . . . . . . . 6431 1 791 . 1 1 69 69 ASP H H 1 8.412 0.003 . . . . . . . . . . 6431 1 792 . 1 1 69 69 ASP N N 15 124.397 0.044 . . . . . . . . . . 6431 1 793 . 1 1 69 69 ASP CA C 13 52.436 0.02 . . . . . . . . . . 6431 1 794 . 1 1 69 69 ASP HA H 1 4.72 0.003 . . . . . . . . . . 6431 1 795 . 1 1 69 69 ASP CB C 13 40.789 0.02 . . . . . . . . . . 6431 1 796 . 1 1 69 69 ASP HB2 H 1 2.614 0.02 . . . . . . . . . . 6431 1 797 . 1 1 69 69 ASP HB3 H 1 2.4 0.02 . . . . . . . . . . 6431 1 798 . 1 1 70 70 PRO CA C 13 63.017 0.089 . . . . . . . . . . 6431 1 799 . 1 1 70 70 PRO HA H 1 4.238 0.02 . . . . . . . . . . 6431 1 800 . 1 1 70 70 PRO C C 13 176.427 0.02 . . . . . . . . . . 6431 1 801 . 1 1 70 70 PRO CB C 13 31.901 0.101 . . . . . . . . . . 6431 1 802 . 1 1 70 70 PRO HB2 H 1 2.061 0.02 . . . . . . . . . . 6431 1 803 . 1 1 70 70 PRO HB3 H 1 2.061 0.02 . . . . . . . . . . 6431 1 804 . 1 1 70 70 PRO CG C 13 27.28 0.02 . . . . . . . . . . 6431 1 805 . 1 1 70 70 PRO CD C 13 50.53 0.02 . . . . . . . . . . 6431 1 806 . 1 1 70 70 PRO HD2 H 1 3.65 0.02 . . . . . . . . . . 6431 1 807 . 1 1 70 70 PRO HD3 H 1 3.65 0.02 . . . . . . . . . . 6431 1 808 . 1 1 71 71 TYR H H 1 8.226 0.002 . . . . . . . . . . 6431 1 809 . 1 1 71 71 TYR N N 15 121.959 0.122 . . . . . . . . . . 6431 1 810 . 1 1 71 71 TYR CA C 13 55.677 0.02 . . . . . . . . . . 6431 1 811 . 1 1 71 71 TYR HA H 1 4.755 0.02 . . . . . . . . . . 6431 1 812 . 1 1 71 71 TYR CB C 13 38.057 0.02 . . . . . . . . . . 6431 1 813 . 1 1 71 71 TYR HB2 H 1 2.992 0.02 . . . . . . . . . . 6431 1 814 . 1 1 71 71 TYR HB3 H 1 2.813 0.02 . . . . . . . . . . 6431 1 815 . 1 1 71 71 TYR HD1 H 1 7.128 0.02 . . . . . . . . . . 6431 1 816 . 1 1 71 71 TYR HD2 H 1 7.128 0.02 . . . . . . . . . . 6431 1 817 . 1 1 71 71 TYR HE1 H 1 6.983 0.02 . . . . . . . . . . 6431 1 818 . 1 1 71 71 TYR HE2 H 1 6.983 0.02 . . . . . . . . . . 6431 1 819 . 1 1 72 72 PRO CA C 13 63.075 0.055 . . . . . . . . . . 6431 1 820 . 1 1 72 72 PRO HA H 1 4.376 0.002 . . . . . . . . . . 6431 1 821 . 1 1 72 72 PRO C C 13 176.969 0.02 . . . . . . . . . . 6431 1 822 . 1 1 72 72 PRO CB C 13 32.07 0.036 . . . . . . . . . . 6431 1 823 . 1 1 72 72 PRO HB2 H 1 2.182 0.02 . . . . . . . . . . 6431 1 824 . 1 1 72 72 PRO HB3 H 1 2.181 0.02 . . . . . . . . . . 6431 1 825 . 1 1 72 72 PRO CG C 13 27.4 0.02 . . . . . . . . . . 6431 1 826 . 1 1 72 72 PRO HG2 H 1 1.874 0.02 . . . . . . . . . . 6431 1 827 . 1 1 72 72 PRO HG3 H 1 1.874 0.02 . . . . . . . . . . 6431 1 828 . 1 1 72 72 PRO CD C 13 50.53 0.02 . . . . . . . . . . 6431 1 829 . 1 1 72 72 PRO HD2 H 1 3.781 0.02 . . . . . . . . . . 6431 1 830 . 1 1 72 72 PRO HD3 H 1 3.781 0.02 . . . . . . . . . . 6431 1 831 . 1 1 73 73 SER H H 1 8.426 0.002 . . . . . . . . . . 6431 1 832 . 1 1 73 73 SER N N 15 117.592 0.078 . . . . . . . . . . 6431 1 833 . 1 1 73 73 SER CA C 13 58.187 0.053 . . . . . . . . . . 6431 1 834 . 1 1 73 73 SER HA H 1 4.349 0.016 . . . . . . . . . . 6431 1 835 . 1 1 73 73 SER C C 13 174.559 0.02 . . . . . . . . . . 6431 1 836 . 1 1 73 73 SER CB C 13 63.729 0.14 . . . . . . . . . . 6431 1 837 . 1 1 73 73 SER HB2 H 1 3.833 0.009 . . . . . . . . . . 6431 1 838 . 1 1 73 73 SER HB3 H 1 3.827 0.02 . . . . . . . . . . 6431 1 839 . 1 1 74 74 ALA H H 1 8.454 0.003 . . . . . . . . . . 6431 1 840 . 1 1 74 74 ALA N N 15 127.046 0.05 . . . . . . . . . . 6431 1 841 . 1 1 74 74 ALA CA C 13 52.462 0.055 . . . . . . . . . . 6431 1 842 . 1 1 74 74 ALA HA H 1 4.233 0.001 . . . . . . . . . . 6431 1 843 . 1 1 74 74 ALA C C 13 177.204 0.02 . . . . . . . . . . 6431 1 844 . 1 1 74 74 ALA CB C 13 19.083 0.219 . . . . . . . . . . 6431 1 845 . 1 1 74 74 ALA HB1 H 1 1.284 0.02 . . . . . . . . . . 6431 1 846 . 1 1 74 74 ALA HB2 H 1 1.284 0.02 . . . . . . . . . . 6431 1 847 . 1 1 74 74 ALA HB3 H 1 1.284 0.02 . . . . . . . . . . 6431 1 848 . 1 1 75 75 ASP H H 1 8.184 0.002 . . . . . . . . . . 6431 1 849 . 1 1 75 75 ASP N N 15 120.042 0.094 . . . . . . . . . . 6431 1 850 . 1 1 75 75 ASP CA C 13 54.185 0.09 . . . . . . . . . . 6431 1 851 . 1 1 75 75 ASP HA H 1 4.439 0.002 . . . . . . . . . . 6431 1 852 . 1 1 75 75 ASP C C 13 175.42 0.02 . . . . . . . . . . 6431 1 853 . 1 1 75 75 ASP CB C 13 41.165 0.055 . . . . . . . . . . 6431 1 854 . 1 1 75 75 ASP HB2 H 1 2.474 0.003 . . . . . . . . . . 6431 1 855 . 1 1 75 75 ASP HB3 H 1 2.384 0.001 . . . . . . . . . . 6431 1 856 . 1 1 76 76 PHE H H 1 8.139 0.002 . . . . . . . . . . 6431 1 857 . 1 1 76 76 PHE N N 15 122.137 0.122 . . . . . . . . . . 6431 1 858 . 1 1 76 76 PHE CA C 13 55.357 0.02 . . . . . . . . . . 6431 1 859 . 1 1 76 76 PHE HA H 1 4.812 0.02 . . . . . . . . . . 6431 1 860 . 1 1 76 76 PHE CB C 13 39.188 0.02 . . . . . . . . . . 6431 1 861 . 1 1 76 76 PHE HB2 H 1 3.06 0.02 . . . . . . . . . . 6431 1 862 . 1 1 76 76 PHE HB3 H 1 2.892 0.02 . . . . . . . . . . 6431 1 863 . 1 1 76 76 PHE HD1 H 1 7.217 0.02 . . . . . . . . . . 6431 1 864 . 1 1 76 76 PHE HD2 H 1 7.217 0.02 . . . . . . . . . . 6431 1 865 . 1 1 76 76 PHE HE1 H 1 7.029 0.02 . . . . . . . . . . 6431 1 866 . 1 1 76 76 PHE HE2 H 1 7.029 0.02 . . . . . . . . . . 6431 1 867 . 1 1 77 77 PRO CA C 13 63.288 0.073 . . . . . . . . . . 6431 1 868 . 1 1 77 77 PRO HA H 1 4.364 0.001 . . . . . . . . . . 6431 1 869 . 1 1 77 77 PRO C C 13 177.446 0.02 . . . . . . . . . . 6431 1 870 . 1 1 77 77 PRO CB C 13 32.152 0.1 . . . . . . . . . . 6431 1 871 . 1 1 77 77 PRO HB2 H 1 2.195 0.02 . . . . . . . . . . 6431 1 872 . 1 1 77 77 PRO HB3 H 1 2.195 0.02 . . . . . . . . . . 6431 1 873 . 1 1 77 77 PRO CG C 13 27.1 0.02 . . . . . . . . . . 6431 1 874 . 1 1 77 77 PRO HG2 H 1 1.904 0.02 . . . . . . . . . . 6431 1 875 . 1 1 77 77 PRO HG3 H 1 1.906 0.02 . . . . . . . . . . 6431 1 876 . 1 1 77 77 PRO CD C 13 50.47 0.02 . . . . . . . . . . 6431 1 877 . 1 1 77 77 PRO HD2 H 1 3.709 0.02 . . . . . . . . . . 6431 1 878 . 1 1 77 77 PRO HD3 H 1 3.709 0.02 . . . . . . . . . . 6431 1 879 . 1 1 78 78 GLY H H 1 8.138 0.003 . . . . . . . . . . 6431 1 880 . 1 1 78 78 GLY N N 15 110.024 0.092 . . . . . . . . . . 6431 1 881 . 1 1 78 78 GLY CA C 13 44.979 0.063 . . . . . . . . . . 6431 1 882 . 1 1 78 78 GLY HA2 H 1 3.893 0.007 . . . . . . . . . . 6431 1 883 . 1 1 78 78 GLY HA3 H 1 3.893 0.007 . . . . . . . . . . 6431 1 884 . 1 1 78 78 GLY C C 13 173.895 0.02 . . . . . . . . . . 6431 1 885 . 1 1 79 79 ASP H H 1 8.329 0.002 . . . . . . . . . . 6431 1 886 . 1 1 79 79 ASP N N 15 121.532 0.089 . . . . . . . . . . 6431 1 887 . 1 1 79 79 ASP CA C 13 54.353 0.012 . . . . . . . . . . 6431 1 888 . 1 1 79 79 ASP HA H 1 4.572 0.02 . . . . . . . . . . 6431 1 889 . 1 1 79 79 ASP C C 13 176.152 0.02 . . . . . . . . . . 6431 1 890 . 1 1 79 79 ASP CB C 13 41.265 0.017 . . . . . . . . . . 6431 1 891 . 1 1 79 79 ASP HB2 H 1 2.646 0.02 . . . . . . . . . . 6431 1 892 . 1 1 79 79 ASP HB3 H 1 2.539 0.02 . . . . . . . . . . 6431 1 893 . 1 1 80 80 ASP H H 1 8.448 0.004 . . . . . . . . . . 6431 1 894 . 1 1 80 80 ASP N N 15 121.269 0.06 . . . . . . . . . . 6431 1 895 . 1 1 80 80 ASP CA C 13 54.283 0.036 . . . . . . . . . . 6431 1 896 . 1 1 80 80 ASP HA H 1 4.548 0.011 . . . . . . . . . . 6431 1 897 . 1 1 80 80 ASP C C 13 176.343 0.02 . . . . . . . . . . 6431 1 898 . 1 1 80 80 ASP CB C 13 41.071 0.038 . . . . . . . . . . 6431 1 899 . 1 1 80 80 ASP HB2 H 1 2.644 0.001 . . . . . . . . . . 6431 1 900 . 1 1 80 80 ASP HB3 H 1 2.542 0.001 . . . . . . . . . . 6431 1 901 . 1 1 81 81 GLU H H 1 8.34 0.003 . . . . . . . . . . 6431 1 902 . 1 1 81 81 GLU N N 15 121.99 0.035 . . . . . . . . . . 6431 1 903 . 1 1 81 81 GLU CA C 13 56.433 0.002 . . . . . . . . . . 6431 1 904 . 1 1 81 81 GLU HA H 1 4.192 0.009 . . . . . . . . . . 6431 1 905 . 1 1 81 81 GLU C C 13 177.61 0.02 . . . . . . . . . . 6431 1 906 . 1 1 81 81 GLU CB C 13 30.509 0.02 . . . . . . . . . . 6431 1 907 . 1 1 81 81 GLU HB2 H 1 1.987 0.02 . . . . . . . . . . 6431 1 908 . 1 1 81 81 GLU HB3 H 1 1.844 0.02 . . . . . . . . . . 6431 1 909 . 1 1 81 81 GLU CG C 13 36.03 0.02 . . . . . . . . . . 6431 1 910 . 1 1 81 81 GLU HG2 H 1 2.212 0.02 . . . . . . . . . . 6431 1 911 . 1 1 81 81 GLU HG3 H 1 2.162 0.02 . . . . . . . . . . 6431 1 912 . 1 1 82 82 GLU H H 1 8.307 0.003 . . . . . . . . . . 6431 1 913 . 1 1 82 82 GLU N N 15 122.534 0.087 . . . . . . . . . . 6431 1 914 . 1 1 82 82 GLU CA C 13 56.817 0.578 . . . . . . . . . . 6431 1 915 . 1 1 82 82 GLU HA H 1 4.143 0.059 . . . . . . . . . . 6431 1 916 . 1 1 82 82 GLU C C 13 176.304 0.02 . . . . . . . . . . 6431 1 917 . 1 1 82 82 GLU CB C 13 30.248 0.304 . . . . . . . . . . 6431 1 918 . 1 1 82 82 GLU HB2 H 1 2.025 0.02 . . . . . . . . . . 6431 1 919 . 1 1 82 82 GLU HB3 H 1 1.948 0.02 . . . . . . . . . . 6431 1 920 . 1 1 82 82 GLU CG C 13 35.82 0.02 . . . . . . . . . . 6431 1 921 . 1 1 82 82 GLU HG2 H 1 2.291 0.02 . . . . . . . . . . 6431 1 922 . 1 1 82 82 GLU HG3 H 1 2.209 0.02 . . . . . . . . . . 6431 1 923 . 1 1 83 83 ASP H H 1 8.461 0.003 . . . . . . . . . . 6431 1 924 . 1 1 83 83 ASP N N 15 123.302 0.148 . . . . . . . . . . 6431 1 925 . 1 1 83 83 ASP CA C 13 54.206 0.036 . . . . . . . . . . 6431 1 926 . 1 1 83 83 ASP HA H 1 4.519 0.006 . . . . . . . . . . 6431 1 927 . 1 1 83 83 ASP C C 13 175.994 0.02 . . . . . . . . . . 6431 1 928 . 1 1 83 83 ASP CB C 13 41.263 0.011 . . . . . . . . . . 6431 1 929 . 1 1 83 83 ASP HB2 H 1 2.597 0.002 . . . . . . . . . . 6431 1 930 . 1 1 83 83 ASP HB3 H 1 2.482 0.006 . . . . . . . . . . 6431 1 931 . 1 1 84 84 GLU H H 1 8.443 0.002 . . . . . . . . . . 6431 1 932 . 1 1 84 84 GLU N N 15 123.623 0.115 . . . . . . . . . . 6431 1 933 . 1 1 84 84 GLU CA C 13 56.313 0.02 . . . . . . . . . . 6431 1 934 . 1 1 84 84 GLU HA H 1 4.507 0.006 . . . . . . . . . . 6431 1 935 . 1 1 84 84 GLU CB C 13 29.908 0.02 . . . . . . . . . . 6431 1 936 . 1 1 84 84 GLU HB2 H 1 1.956 0.02 . . . . . . . . . . 6431 1 937 . 1 1 84 84 GLU HB3 H 1 1.822 0.02 . . . . . . . . . . 6431 1 938 . 1 1 84 84 GLU CG C 13 36.1 0.02 . . . . . . . . . . 6431 1 939 . 1 1 84 84 GLU HG2 H 1 2.218 0.02 . . . . . . . . . . 6431 1 940 . 1 1 84 84 GLU HG3 H 1 2.218 0.02 . . . . . . . . . . 6431 1 941 . 1 1 85 85 PRO CA C 13 62.932 0.146 . . . . . . . . . . 6431 1 942 . 1 1 85 85 PRO HA H 1 4.342 0.003 . . . . . . . . . . 6431 1 943 . 1 1 85 85 PRO C C 13 176.799 0.02 . . . . . . . . . . 6431 1 944 . 1 1 85 85 PRO CB C 13 32.163 0.027 . . . . . . . . . . 6431 1 945 . 1 1 85 85 PRO CG C 13 27.11 0.02 . . . . . . . . . . 6431 1 946 . 1 1 85 85 PRO CD C 13 50.6 0.02 . . . . . . . . . . 6431 1 947 . 1 1 85 85 PRO HD2 H 1 3.79 0.02 . . . . . . . . . . 6431 1 948 . 1 1 85 85 PRO HD3 H 1 3.79 0.02 . . . . . . . . . . 6431 1 949 . 1 1 86 86 GLU H H 1 8.561 0.005 . . . . . . . . . . 6431 1 950 . 1 1 86 86 GLU N N 15 122.499 0.112 . . . . . . . . . . 6431 1 951 . 1 1 86 86 GLU CA C 13 56.389 0.142 . . . . . . . . . . 6431 1 952 . 1 1 86 86 GLU HA H 1 4.142 0.003 . . . . . . . . . . 6431 1 953 . 1 1 86 86 GLU C C 13 176.484 0.02 . . . . . . . . . . 6431 1 954 . 1 1 86 86 GLU CB C 13 30.312 0.018 . . . . . . . . . . 6431 1 955 . 1 1 86 86 GLU HB2 H 1 1.886 0.008 . . . . . . . . . . 6431 1 956 . 1 1 86 86 GLU HB3 H 1 1.874 0.02 . . . . . . . . . . 6431 1 957 . 1 1 86 86 GLU CG C 13 36.06 0.02 . . . . . . . . . . 6431 1 958 . 1 1 86 86 GLU HG2 H 1 2.222 0.02 . . . . . . . . . . 6431 1 959 . 1 1 86 86 GLU HG3 H 1 2.221 0.02 . . . . . . . . . . 6431 1 960 . 1 1 87 87 ILE H H 1 8.321 0.004 . . . . . . . . . . 6431 1 961 . 1 1 87 87 ILE N N 15 125.348 0.071 . . . . . . . . . . 6431 1 962 . 1 1 87 87 ILE CA C 13 58.448 0.02 . . . . . . . . . . 6431 1 963 . 1 1 87 87 ILE HA H 1 4.399 0.001 . . . . . . . . . . 6431 1 964 . 1 1 87 87 ILE CB C 13 38.417 0.02 . . . . . . . . . . 6431 1 965 . 1 1 87 87 ILE HB H 1 1.786 0.02 . . . . . . . . . . 6431 1 966 . 1 1 87 87 ILE CG2 C 13 16.87 0.02 . . . . . . . . . . 6431 1 967 . 1 1 87 87 ILE HG21 H 1 0.874 0.02 . . . . . . . . . . 6431 1 968 . 1 1 87 87 ILE HG22 H 1 0.874 0.02 . . . . . . . . . . 6431 1 969 . 1 1 87 87 ILE HG23 H 1 0.874 0.02 . . . . . . . . . . 6431 1 970 . 1 1 87 87 ILE CG1 C 13 26.65 0.02 . . . . . . . . . . 6431 1 971 . 1 1 87 87 ILE HG13 H 1 1.113 0.02 . . . . . . . . . . 6431 1 972 . 1 1 87 87 ILE CD1 C 13 12.49 0.02 . . . . . . . . . . 6431 1 973 . 1 1 87 87 ILE HD11 H 1 0.873 0.02 . . . . . . . . . . 6431 1 974 . 1 1 87 87 ILE HD12 H 1 0.873 0.02 . . . . . . . . . . 6431 1 975 . 1 1 87 87 ILE HD13 H 1 0.873 0.02 . . . . . . . . . . 6431 1 976 . 1 1 88 88 PRO CA C 13 62.819 0.029 . . . . . . . . . . 6431 1 977 . 1 1 88 88 PRO HA H 1 4.375 0.001 . . . . . . . . . . 6431 1 978 . 1 1 88 88 PRO C C 13 176.866 0.02 . . . . . . . . . . 6431 1 979 . 1 1 88 88 PRO CB C 13 32.158 0.02 . . . . . . . . . . 6431 1 980 . 1 1 88 88 PRO CG C 13 27.28 0.02 . . . . . . . . . . 6431 1 981 . 1 1 88 88 PRO HG2 H 1 1.802 0.02 . . . . . . . . . . 6431 1 982 . 1 1 88 88 PRO HG3 H 1 1.802 0.02 . . . . . . . . . . 6431 1 983 . 1 1 88 88 PRO CD C 13 50.96 0.02 . . . . . . . . . . 6431 1 984 . 1 1 88 88 PRO HD2 H 1 3.614 0.02 . . . . . . . . . . 6431 1 985 . 1 1 88 88 PRO HD3 H 1 3.614 0.02 . . . . . . . . . . 6431 1 986 . 1 1 89 89 VAL H H 1 8.371 0.002 . . . . . . . . . . 6431 1 987 . 1 1 89 89 VAL N N 15 121.924 0.06 . . . . . . . . . . 6431 1 988 . 1 1 89 89 VAL CA C 13 62.382 0.24 . . . . . . . . . . 6431 1 989 . 1 1 89 89 VAL HA H 1 4.016 0.003 . . . . . . . . . . 6431 1 990 . 1 1 89 89 VAL C C 13 176.447 0.02 . . . . . . . . . . 6431 1 991 . 1 1 89 89 VAL CB C 13 32.636 0.15 . . . . . . . . . . 6431 1 992 . 1 1 89 89 VAL HB H 1 1.982 0.002 . . . . . . . . . . 6431 1 993 . 1 1 89 89 VAL CG1 C 13 20.83 0.02 . . . . . . . . . . 6431 1 994 . 1 1 89 89 VAL HG11 H 1 0.895 0.007 . . . . . . . . . . 6431 1 995 . 1 1 89 89 VAL HG12 H 1 0.895 0.007 . . . . . . . . . . 6431 1 996 . 1 1 89 89 VAL HG13 H 1 0.895 0.007 . . . . . . . . . . 6431 1 997 . 1 1 89 89 VAL CG2 C 13 20.83 0.02 . . . . . . . . . . 6431 1 998 . 1 1 89 89 VAL HG21 H 1 0.902 0.02 . . . . . . . . . . 6431 1 999 . 1 1 89 89 VAL HG22 H 1 0.902 0.02 . . . . . . . . . . 6431 1 1000 . 1 1 89 89 VAL HG23 H 1 0.902 0.02 . . . . . . . . . . 6431 1 1001 . 1 1 90 90 SER H H 1 8.458 0.003 . . . . . . . . . . 6431 1 1002 . 1 1 90 90 SER N N 15 122.285 0.079 . . . . . . . . . . 6431 1 1003 . 1 1 90 90 SER CA C 13 56.331 0.02 . . . . . . . . . . 6431 1 1004 . 1 1 90 90 SER HA H 1 4.692 0.02 . . . . . . . . . . 6431 1 1005 . 1 1 90 90 SER CB C 13 63.368 0.02 . . . . . . . . . . 6431 1 1006 . 1 1 90 90 SER HB2 H 1 3.791 0.02 . . . . . . . . . . 6431 1 1007 . 1 1 90 90 SER HB3 H 1 3.734 0.02 . . . . . . . . . . 6431 1 1008 . 1 1 91 91 PRO CA C 13 62.762 0.065 . . . . . . . . . . 6431 1 1009 . 1 1 91 91 PRO HA H 1 4.345 0.005 . . . . . . . . . . 6431 1 1010 . 1 1 91 91 PRO C C 13 176.645 0.02 . . . . . . . . . . 6431 1 1011 . 1 1 91 91 PRO CB C 13 32.258 0.067 . . . . . . . . . . 6431 1 1012 . 1 1 91 91 PRO HB2 H 1 2.213 0.02 . . . . . . . . . . 6431 1 1013 . 1 1 91 91 PRO HB3 H 1 2.213 0.02 . . . . . . . . . . 6431 1 1014 . 1 1 91 91 PRO CG C 13 27.28 0.02 . . . . . . . . . . 6431 1 1015 . 1 1 91 91 PRO CD C 13 50.55 0.02 . . . . . . . . . . 6431 1 1016 . 1 1 91 91 PRO HD2 H 1 3.561 0.02 . . . . . . . . . . 6431 1 1017 . 1 1 91 91 PRO HD3 H 1 3.561 0.02 . . . . . . . . . . 6431 1 1018 . 1 1 92 92 ARG H H 1 8.493 0.002 . . . . . . . . . . 6431 1 1019 . 1 1 92 92 ARG N N 15 123.827 0.047 . . . . . . . . . . 6431 1 1020 . 1 1 92 92 ARG CA C 13 53.624 0.02 . . . . . . . . . . 6431 1 1021 . 1 1 92 92 ARG HA H 1 4.515 0.005 . . . . . . . . . . 6431 1 1022 . 1 1 92 92 ARG CB C 13 29.85 0.02 . . . . . . . . . . 6431 1 1023 . 1 1 92 92 ARG HB2 H 1 1.796 0.02 . . . . . . . . . . 6431 1 1024 . 1 1 92 92 ARG HB3 H 1 1.792 0.02 . . . . . . . . . . 6431 1 1025 . 1 1 92 92 ARG CG C 13 26.9 0.02 . . . . . . . . . . 6431 1 1026 . 1 1 92 92 ARG HG2 H 1 1.658 0.02 . . . . . . . . . . 6431 1 1027 . 1 1 92 92 ARG HG3 H 1 1.658 0.02 . . . . . . . . . . 6431 1 1028 . 1 1 92 92 ARG CD C 13 43.32 0.02 . . . . . . . . . . 6431 1 1029 . 1 1 92 92 ARG HD2 H 1 3.156 0.02 . . . . . . . . . . 6431 1 1030 . 1 1 92 92 ARG HD3 H 1 3.156 0.02 . . . . . . . . . . 6431 1 1031 . 1 1 93 93 PRO CA C 13 62.823 0.035 . . . . . . . . . . 6431 1 1032 . 1 1 93 93 PRO HA H 1 4.376 0.001 . . . . . . . . . . 6431 1 1033 . 1 1 93 93 PRO C C 13 176.668 0.02 . . . . . . . . . . 6431 1 1034 . 1 1 93 93 PRO CB C 13 32.244 0.091 . . . . . . . . . . 6431 1 1035 . 1 1 93 93 PRO HB2 H 1 2.216 0.02 . . . . . . . . . . 6431 1 1036 . 1 1 93 93 PRO CG C 13 27.28 0.02 . . . . . . . . . . 6431 1 1037 . 1 1 93 93 PRO CD C 13 50.4 0.02 . . . . . . . . . . 6431 1 1038 . 1 1 93 93 PRO HD2 H 1 3.54 0.02 . . . . . . . . . . 6431 1 1039 . 1 1 93 93 PRO HD3 H 1 3.54 0.02 . . . . . . . . . . 6431 1 1040 . 1 1 94 94 ARG H H 1 8.464 0.003 . . . . . . . . . . 6431 1 1041 . 1 1 94 94 ARG N N 15 123.93 0.081 . . . . . . . . . . 6431 1 1042 . 1 1 94 94 ARG CA C 13 56.207 0.02 . . . . . . . . . . 6431 1 1043 . 1 1 94 94 ARG HA H 1 4.523 0.005 . . . . . . . . . . 6431 1 1044 . 1 1 94 94 ARG CB C 13 30.308 0.02 . . . . . . . . . . 6431 1 1045 . 1 1 94 94 ARG HB2 H 1 1.784 0.02 . . . . . . . . . . 6431 1 1046 . 1 1 94 94 ARG HB3 H 1 1.784 0.02 . . . . . . . . . . 6431 1 1047 . 1 1 94 94 ARG CG C 13 27.01 0.02 . . . . . . . . . . 6431 1 1048 . 1 1 94 94 ARG HG2 H 1 1.654 0.02 . . . . . . . . . . 6431 1 1049 . 1 1 94 94 ARG HG3 H 1 1.654 0.02 . . . . . . . . . . 6431 1 1050 . 1 1 94 94 ARG CD C 13 43.12 0.02 . . . . . . . . . . 6431 1 1051 . 1 1 94 94 ARG HD2 H 1 3.162 0.02 . . . . . . . . . . 6431 1 1052 . 1 1 94 94 ARG HD3 H 1 3.162 0.02 . . . . . . . . . . 6431 1 1053 . 1 1 95 95 PRO CA C 13 62.816 0.048 . . . . . . . . . . 6431 1 1054 . 1 1 95 95 PRO HA H 1 4.341 0.02 . . . . . . . . . . 6431 1 1055 . 1 1 95 95 PRO C C 13 177.062 0.02 . . . . . . . . . . 6431 1 1056 . 1 1 95 95 PRO CB C 13 32.276 0.196 . . . . . . . . . . 6431 1 1057 . 1 1 95 95 PRO HB2 H 1 2.252 0.02 . . . . . . . . . . 6431 1 1058 . 1 1 95 95 PRO CG C 13 27.05 0.02 . . . . . . . . . . 6431 1 1059 . 1 1 95 95 PRO HG2 H 1 1.815 0.02 . . . . . . . . . . 6431 1 1060 . 1 1 95 95 PRO CD C 13 50.44 0.02 . . . . . . . . . . 6431 1 1061 . 1 1 95 95 PRO HD2 H 1 3.451 0.02 . . . . . . . . . . 6431 1 1062 . 1 1 95 95 PRO HD3 H 1 3.451 0.02 . . . . . . . . . . 6431 1 1063 . 1 1 96 96 LEU H H 1 8.415 0.001 . . . . . . . . . . 6431 1 1064 . 1 1 96 96 LEU N N 15 123.904 0.08 . . . . . . . . . . 6431 1 1065 . 1 1 96 96 LEU CA C 13 55.774 0.066 . . . . . . . . . . 6431 1 1066 . 1 1 96 96 LEU HA H 1 4.162 0.003 . . . . . . . . . . 6431 1 1067 . 1 1 96 96 LEU C C 13 177.843 0.02 . . . . . . . . . . 6431 1 1068 . 1 1 96 96 LEU CB C 13 42.045 0.118 . . . . . . . . . . 6431 1 1069 . 1 1 96 96 LEU HB2 H 1 1.611 0.007 . . . . . . . . . . 6431 1 1070 . 1 1 96 96 LEU HB3 H 1 1.611 0.02 . . . . . . . . . . 6431 1 1071 . 1 1 96 96 LEU CG C 13 26.86 0.02 . . . . . . . . . . 6431 1 1072 . 1 1 96 96 LEU CD1 C 13 24.59 0.02 . . . . . . . . . . 6431 1 1073 . 1 1 96 96 LEU HD11 H 1 0.843 0.004 . . . . . . . . . . 6431 1 1074 . 1 1 96 96 LEU HD12 H 1 0.843 0.004 . . . . . . . . . . 6431 1 1075 . 1 1 96 96 LEU HD13 H 1 0.843 0.004 . . . . . . . . . . 6431 1 1076 . 1 1 96 96 LEU CD2 C 13 23.2 0.02 . . . . . . . . . . 6431 1 1077 . 1 1 96 96 LEU HD21 H 1 0.839 0.02 . . . . . . . . . . 6431 1 1078 . 1 1 96 96 LEU HD22 H 1 0.839 0.02 . . . . . . . . . . 6431 1 1079 . 1 1 96 96 LEU HD23 H 1 0.839 0.02 . . . . . . . . . . 6431 1 1080 . 1 1 96 96 LEU HG H 1 1.515 0.001 . . . . . . . . . . 6431 1 1081 . 1 1 97 97 ALA H H 1 8.368 0.003 . . . . . . . . . . 6431 1 1082 . 1 1 97 97 ALA N N 15 124.602 0.06 . . . . . . . . . . 6431 1 1083 . 1 1 97 97 ALA CA C 13 52.98 0.064 . . . . . . . . . . 6431 1 1084 . 1 1 97 97 ALA HA H 1 4.167 0.007 . . . . . . . . . . 6431 1 1085 . 1 1 97 97 ALA C C 13 178.284 0.02 . . . . . . . . . . 6431 1 1086 . 1 1 97 97 ALA CB C 13 19.246 0.078 . . . . . . . . . . 6431 1 1087 . 1 1 97 97 ALA HB1 H 1 1.331 0.002 . . . . . . . . . . 6431 1 1088 . 1 1 97 97 ALA HB2 H 1 1.331 0.002 . . . . . . . . . . 6431 1 1089 . 1 1 97 97 ALA HB3 H 1 1.331 0.002 . . . . . . . . . . 6431 1 1090 . 1 1 98 98 GLU H H 1 8.262 0.003 . . . . . . . . . . 6431 1 1091 . 1 1 98 98 GLU N N 15 120.041 0.039 . . . . . . . . . . 6431 1 1092 . 1 1 98 98 GLU CA C 13 56.672 0.193 . . . . . . . . . . 6431 1 1093 . 1 1 98 98 GLU HA H 1 4.163 0.021 . . . . . . . . . . 6431 1 1094 . 1 1 98 98 GLU C C 13 177.002 0.02 . . . . . . . . . . 6431 1 1095 . 1 1 98 98 GLU CB C 13 30.148 0.048 . . . . . . . . . . 6431 1 1096 . 1 1 98 98 GLU HB2 H 1 1.999 0.003 . . . . . . . . . . 6431 1 1097 . 1 1 98 98 GLU HB3 H 1 1.886 0.004 . . . . . . . . . . 6431 1 1098 . 1 1 98 98 GLU CG C 13 36.14 0.02 . . . . . . . . . . 6431 1 1099 . 1 1 98 98 GLU HG2 H 1 2.203 0.005 . . . . . . . . . . 6431 1 1100 . 1 1 98 98 GLU HG3 H 1 2.195 0.02 . . . . . . . . . . 6431 1 1101 . 1 1 99 99 LEU H H 1 8.133 0.004 . . . . . . . . . . 6431 1 1102 . 1 1 99 99 LEU N N 15 123.476 0.153 . . . . . . . . . . 6431 1 1103 . 1 1 99 99 LEU CA C 13 55.473 0.142 . . . . . . . . . . 6431 1 1104 . 1 1 99 99 LEU HA H 1 4.219 0.013 . . . . . . . . . . 6431 1 1105 . 1 1 99 99 LEU C C 13 177.619 0.02 . . . . . . . . . . 6431 1 1106 . 1 1 99 99 LEU CB C 13 42.066 0.08 . . . . . . . . . . 6431 1 1107 . 1 1 99 99 LEU HB2 H 1 1.619 0.02 . . . . . . . . . . 6431 1 1108 . 1 1 99 99 LEU HB3 H 1 1.619 0.02 . . . . . . . . . . 6431 1 1109 . 1 1 99 99 LEU CG C 13 26.74 0.02 . . . . . . . . . . 6431 1 1110 . 1 1 99 99 LEU CD1 C 13 24.87 0.02 . . . . . . . . . . 6431 1 1111 . 1 1 99 99 LEU HD11 H 1 0.812 0.02 . . . . . . . . . . 6431 1 1112 . 1 1 99 99 LEU HD12 H 1 0.812 0.02 . . . . . . . . . . 6431 1 1113 . 1 1 99 99 LEU HD13 H 1 0.812 0.02 . . . . . . . . . . 6431 1 1114 . 1 1 99 99 LEU CD2 C 13 23.14 0.02 . . . . . . . . . . 6431 1 1115 . 1 1 99 99 LEU HD21 H 1 0.808 0.004 . . . . . . . . . . 6431 1 1116 . 1 1 99 99 LEU HD22 H 1 0.808 0.004 . . . . . . . . . . 6431 1 1117 . 1 1 99 99 LEU HD23 H 1 0.808 0.004 . . . . . . . . . . 6431 1 1118 . 1 1 99 99 LEU HG H 1 1.525 0.008 . . . . . . . . . . 6431 1 1119 . 1 1 100 100 GLN H H 1 8.293 0.004 . . . . . . . . . . 6431 1 1120 . 1 1 100 100 GLN N N 15 121.54 0.057 . . . . . . . . . . 6431 1 1121 . 1 1 100 100 GLN CA C 13 55.759 0.104 . . . . . . . . . . 6431 1 1122 . 1 1 100 100 GLN HA H 1 4.227 0.01 . . . . . . . . . . 6431 1 1123 . 1 1 100 100 GLN C C 13 176.092 0.02 . . . . . . . . . . 6431 1 1124 . 1 1 100 100 GLN CB C 13 29.188 0.028 . . . . . . . . . . 6431 1 1125 . 1 1 100 100 GLN HB2 H 1 2.026 0.001 . . . . . . . . . . 6431 1 1126 . 1 1 100 100 GLN HB3 H 1 1.93 0.001 . . . . . . . . . . 6431 1 1127 . 1 1 100 100 GLN CG C 13 33.68 0.02 . . . . . . . . . . 6431 1 1128 . 1 1 100 100 GLN HG2 H 1 2.306 0.02 . . . . . . . . . . 6431 1 1129 . 1 1 100 100 GLN HG3 H 1 2.306 0.02 . . . . . . . . . . 6431 1 1130 . 1 1 101 101 LEU H H 1 8.197 0.003 . . . . . . . . . . 6431 1 1131 . 1 1 101 101 LEU N N 15 124.259 0.071 . . . . . . . . . . 6431 1 1132 . 1 1 101 101 LEU CA C 13 53.888 1.103 . . . . . . . . . . 6431 1 1133 . 1 1 101 101 LEU HA H 1 4.234 0.004 . . . . . . . . . . 6431 1 1134 . 1 1 101 101 LEU C C 13 177.57 0.02 . . . . . . . . . . 6431 1 1135 . 1 1 101 101 LEU CB C 13 42.104 0.115 . . . . . . . . . . 6431 1 1136 . 1 1 101 101 LEU HB2 H 1 1.595 0.02 . . . . . . . . . . 6431 1 1137 . 1 1 101 101 LEU HB3 H 1 1.595 0.02 . . . . . . . . . . 6431 1 1138 . 1 1 101 101 LEU CG C 13 26.8 0.02 . . . . . . . . . . 6431 1 1139 . 1 1 101 101 LEU CD1 C 13 25.18 0.02 . . . . . . . . . . 6431 1 1140 . 1 1 101 101 LEU HD11 H 1 0.854 0.02 . . . . . . . . . . 6431 1 1141 . 1 1 101 101 LEU HD12 H 1 0.854 0.02 . . . . . . . . . . 6431 1 1142 . 1 1 101 101 LEU HD13 H 1 0.854 0.02 . . . . . . . . . . 6431 1 1143 . 1 1 101 101 LEU CD2 C 13 23.11 0.02 . . . . . . . . . . 6431 1 1144 . 1 1 101 101 LEU HD21 H 1 0.793 0.02 . . . . . . . . . . 6431 1 1145 . 1 1 101 101 LEU HD22 H 1 0.793 0.02 . . . . . . . . . . 6431 1 1146 . 1 1 101 101 LEU HD23 H 1 0.793 0.02 . . . . . . . . . . 6431 1 1147 . 1 1 101 101 LEU HG H 1 1.524 0.02 . . . . . . . . . . 6431 1 1148 . 1 1 102 102 LYS H H 1 8.289 0.005 . . . . . . . . . . 6431 1 1149 . 1 1 102 102 LYS N N 15 123.036 0.115 . . . . . . . . . . 6431 1 1150 . 1 1 102 102 LYS CA C 13 56.16 0.225 . . . . . . . . . . 6431 1 1151 . 1 1 102 102 LYS HA H 1 4.216 0.007 . . . . . . . . . . 6431 1 1152 . 1 1 102 102 LYS C C 13 176.695 0.02 . . . . . . . . . . 6431 1 1153 . 1 1 102 102 LYS CB C 13 32.869 0.124 . . . . . . . . . . 6431 1 1154 . 1 1 102 102 LYS HB2 H 1 1.744 0.03 . . . . . . . . . . 6431 1 1155 . 1 1 102 102 LYS HB3 H 1 1.629 0.02 . . . . . . . . . . 6431 1 1156 . 1 1 102 102 LYS CG C 13 24.62 0.02 . . . . . . . . . . 6431 1 1157 . 1 1 102 102 LYS HG2 H 1 1.378 0.02 . . . . . . . . . . 6431 1 1158 . 1 1 102 102 LYS HG3 H 1 1.382 0.004 . . . . . . . . . . 6431 1 1159 . 1 1 102 102 LYS CD C 13 28.98 0.02 . . . . . . . . . . 6431 1 1160 . 1 1 102 102 LYS HD2 H 1 1.51 0.02 . . . . . . . . . . 6431 1 1161 . 1 1 102 102 LYS HD3 H 1 1.507 0.02 . . . . . . . . . . 6431 1 1162 . 1 1 102 102 LYS CE C 13 41.85 0.02 . . . . . . . . . . 6431 1 1163 . 1 1 103 103 GLU H H 1 8.385 0.004 . . . . . . . . . . 6431 1 1164 . 1 1 103 103 GLU N N 15 122.979 0.127 . . . . . . . . . . 6431 1 1165 . 1 1 103 103 GLU CA C 13 56.487 0.02 . . . . . . . . . . 6431 1 1166 . 1 1 103 103 GLU HA H 1 4.177 0.02 . . . . . . . . . . 6431 1 1167 . 1 1 103 103 GLU C C 13 177.513 0.02 . . . . . . . . . . 6431 1 1168 . 1 1 103 103 GLU CB C 13 30.362 0.02 . . . . . . . . . . 6431 1 1169 . 1 1 103 103 GLU HB2 H 1 1.964 0.02 . . . . . . . . . . 6431 1 1170 . 1 1 103 103 GLU HB3 H 1 1.883 0.02 . . . . . . . . . . 6431 1 1171 . 1 1 103 103 GLU CG C 13 36.16 0.02 . . . . . . . . . . 6431 1 1172 . 1 1 103 103 GLU HG2 H 1 2.189 0.02 . . . . . . . . . . 6431 1 1173 . 1 1 103 103 GLU HG3 H 1 2.19 0.02 . . . . . . . . . . 6431 1 1174 . 1 1 104 104 LYS H H 1 8.253 0.004 . . . . . . . . . . 6431 1 1175 . 1 1 104 104 LYS N N 15 122.969 0.023 . . . . . . . . . . 6431 1 1176 . 1 1 104 104 LYS CA C 13 56.073 0.055 . . . . . . . . . . 6431 1 1177 . 1 1 104 104 LYS HA H 1 4.241 0.061 . . . . . . . . . . 6431 1 1178 . 1 1 104 104 LYS C C 13 176.149 0.02 . . . . . . . . . . 6431 1 1179 . 1 1 104 104 LYS CB C 13 33.007 0.032 . . . . . . . . . . 6431 1 1180 . 1 1 104 104 LYS HB2 H 1 1.757 0.02 . . . . . . . . . . 6431 1 1181 . 1 1 104 104 LYS HB3 H 1 1.688 0.02 . . . . . . . . . . 6431 1 1182 . 1 1 104 104 LYS CG C 13 24.56 0.02 . . . . . . . . . . 6431 1 1183 . 1 1 104 104 LYS HG2 H 1 1.307 0.02 . . . . . . . . . . 6431 1 1184 . 1 1 104 104 LYS HG3 H 1 1.307 0.02 . . . . . . . . . . 6431 1 1185 . 1 1 104 104 LYS CD C 13 28.92 0.02 . . . . . . . . . . 6431 1 1186 . 1 1 104 104 LYS CE C 13 41.87 0.02 . . . . . . . . . . 6431 1 1187 . 1 1 104 104 LYS HE2 H 1 2.86 0.02 . . . . . . . . . . 6431 1 1188 . 1 1 104 104 LYS HE3 H 1 2.86 0.02 . . . . . . . . . . 6431 1 1189 . 1 1 105 105 ALA H H 1 8.341 0.003 . . . . . . . . . . 6431 1 1190 . 1 1 105 105 ALA N N 15 127.046 0.101 . . . . . . . . . . 6431 1 1191 . 1 1 105 105 ALA CA C 13 52.326 0.155 . . . . . . . . . . 6431 1 1192 . 1 1 105 105 ALA HA H 1 4.258 0.003 . . . . . . . . . . 6431 1 1193 . 1 1 105 105 ALA C C 13 176.516 0.02 . . . . . . . . . . 6431 1 1194 . 1 1 105 105 ALA CB C 13 19.125 0.153 . . . . . . . . . . 6431 1 1195 . 1 1 105 105 ALA HB1 H 1 1.29 0.001 . . . . . . . . . . 6431 1 1196 . 1 1 105 105 ALA HB2 H 1 1.29 0.001 . . . . . . . . . . 6431 1 1197 . 1 1 105 105 ALA HB3 H 1 1.29 0.001 . . . . . . . . . . 6431 1 1198 . 1 1 106 106 VAL H H 1 8.255 0.005 . . . . . . . . . . 6431 1 1199 . 1 1 106 106 VAL N N 15 122.995 0.117 . . . . . . . . . . 6431 1 1200 . 1 1 106 106 VAL CA C 13 59.824 0.02 . . . . . . . . . . 6431 1 1201 . 1 1 106 106 VAL HA H 1 4.015 0.004 . . . . . . . . . . 6431 1 1202 . 1 1 106 106 VAL CB C 13 32.656 0.02 . . . . . . . . . . 6431 1 1203 . 1 1 106 106 VAL HB H 1 2.01 0.02 . . . . . . . . . . 6431 1 1204 . 1 1 106 106 VAL CG1 C 13 20.87 0.02 . . . . . . . . . . 6431 1 1205 . 1 1 106 106 VAL HG11 H 1 0.876 0.02 . . . . . . . . . . 6431 1 1206 . 1 1 106 106 VAL HG12 H 1 0.876 0.02 . . . . . . . . . . 6431 1 1207 . 1 1 106 106 VAL HG13 H 1 0.876 0.02 . . . . . . . . . . 6431 1 1208 . 1 1 106 106 VAL CG2 C 13 20.87 0.02 . . . . . . . . . . 6431 1 1209 . 1 1 106 106 VAL HG21 H 1 0.895 0.02 . . . . . . . . . . 6431 1 1210 . 1 1 106 106 VAL HG22 H 1 0.895 0.02 . . . . . . . . . . 6431 1 1211 . 1 1 106 106 VAL HG23 H 1 0.895 0.02 . . . . . . . . . . 6431 1 1212 . 1 1 107 107 PRO CA C 13 62.783 0.065 . . . . . . . . . . 6431 1 1213 . 1 1 107 107 PRO HA H 1 4.34 0.02 . . . . . . . . . . 6431 1 1214 . 1 1 107 107 PRO C C 13 176.547 0.02 . . . . . . . . . . 6431 1 1215 . 1 1 107 107 PRO CB C 13 32.129 0.052 . . . . . . . . . . 6431 1 1216 . 1 1 107 107 PRO HB2 H 1 2.198 0.02 . . . . . . . . . . 6431 1 1217 . 1 1 107 107 PRO CG C 13 27.2 0.02 . . . . . . . . . . 6431 1 1218 . 1 1 107 107 PRO CD C 13 50.34 0.02 . . . . . . . . . . 6431 1 1219 . 1 1 107 107 PRO HD2 H 1 3.377 0.02 . . . . . . . . . . 6431 1 1220 . 1 1 107 107 PRO HD3 H 1 3.377 0.02 . . . . . . . . . . 6431 1 1221 . 1 1 108 108 ILE H H 1 8.358 0.004 . . . . . . . . . . 6431 1 1222 . 1 1 108 108 ILE N N 15 124.135 0.09 . . . . . . . . . . 6431 1 1223 . 1 1 108 108 ILE CA C 13 58.708 0.02 . . . . . . . . . . 6431 1 1224 . 1 1 108 108 ILE HA H 1 4.352 0.012 . . . . . . . . . . 6431 1 1225 . 1 1 108 108 ILE CB C 13 38.429 0.02 . . . . . . . . . . 6431 1 1226 . 1 1 108 108 ILE HB H 1 1.79 0.02 . . . . . . . . . . 6431 1 1227 . 1 1 108 108 ILE CG2 C 13 17.07 0.02 . . . . . . . . . . 6431 1 1228 . 1 1 108 108 ILE HG21 H 1 0.907 0.02 . . . . . . . . . . 6431 1 1229 . 1 1 108 108 ILE HG22 H 1 0.907 0.02 . . . . . . . . . . 6431 1 1230 . 1 1 108 108 ILE HG23 H 1 0.907 0.02 . . . . . . . . . . 6431 1 1231 . 1 1 108 108 ILE CG1 C 13 26.82 0.02 . . . . . . . . . . 6431 1 1232 . 1 1 108 108 ILE HG12 H 1 1.504 0.02 . . . . . . . . . . 6431 1 1233 . 1 1 108 108 ILE HG13 H 1 1.138 0.02 . . . . . . . . . . 6431 1 1234 . 1 1 108 108 ILE CD1 C 13 12.67 0.02 . . . . . . . . . . 6431 1 1235 . 1 1 108 108 ILE HD11 H 1 0.834 0.02 . . . . . . . . . . 6431 1 1236 . 1 1 108 108 ILE HD12 H 1 0.834 0.02 . . . . . . . . . . 6431 1 1237 . 1 1 108 108 ILE HD13 H 1 0.834 0.02 . . . . . . . . . . 6431 1 1238 . 1 1 109 109 PRO CA C 13 63.063 0.046 . . . . . . . . . . 6431 1 1239 . 1 1 109 109 PRO HA H 1 4.308 0.002 . . . . . . . . . . 6431 1 1240 . 1 1 109 109 PRO C C 13 176.903 0.02 . . . . . . . . . . 6431 1 1241 . 1 1 109 109 PRO CB C 13 32.247 0.139 . . . . . . . . . . 6431 1 1242 . 1 1 110 110 GLU H H 1 8.575 0.005 . . . . . . . . . . 6431 1 1243 . 1 1 110 110 GLU N N 15 122.493 0.102 . . . . . . . . . . 6431 1 1244 . 1 1 110 110 GLU CA C 13 56.545 0.088 . . . . . . . . . . 6431 1 1245 . 1 1 110 110 GLU HA H 1 4.109 0.004 . . . . . . . . . . 6431 1 1246 . 1 1 110 110 GLU C C 13 176.695 0.02 . . . . . . . . . . 6431 1 1247 . 1 1 110 110 GLU CB C 13 30.156 0.057 . . . . . . . . . . 6431 1 1248 . 1 1 110 110 GLU HB2 H 1 1.969 0.02 . . . . . . . . . . 6431 1 1249 . 1 1 110 110 GLU HB3 H 1 1.939 0.045 . . . . . . . . . . 6431 1 1250 . 1 1 110 110 GLU CG C 13 36.13 0.02 . . . . . . . . . . 6431 1 1251 . 1 1 110 110 GLU HG2 H 1 2.234 0.02 . . . . . . . . . . 6431 1 1252 . 1 1 111 111 ALA H H 1 8.477 0.003 . . . . . . . . . . 6431 1 1253 . 1 1 111 111 ALA N N 15 126.545 0.079 . . . . . . . . . . 6431 1 1254 . 1 1 111 111 ALA CA C 13 52.871 0.05 . . . . . . . . . . 6431 1 1255 . 1 1 111 111 ALA HA H 1 4.223 0.003 . . . . . . . . . . 6431 1 1256 . 1 1 111 111 ALA C C 13 178.097 0.02 . . . . . . . . . . 6431 1 1257 . 1 1 111 111 ALA CB C 13 19.202 0.016 . . . . . . . . . . 6431 1 1258 . 1 1 111 111 ALA HB1 H 1 1.352 0.02 . . . . . . . . . . 6431 1 1259 . 1 1 111 111 ALA HB2 H 1 1.352 0.02 . . . . . . . . . . 6431 1 1260 . 1 1 111 111 ALA HB3 H 1 1.352 0.02 . . . . . . . . . . 6431 1 1261 . 1 1 112 112 SER H H 1 8.339 0.003 . . . . . . . . . . 6431 1 1262 . 1 1 112 112 SER N N 15 115.731 0.079 . . . . . . . . . . 6431 1 1263 . 1 1 112 112 SER CA C 13 58.326 0.077 . . . . . . . . . . 6431 1 1264 . 1 1 112 112 SER HA H 1 4.312 0.002 . . . . . . . . . . 6431 1 1265 . 1 1 112 112 SER C C 13 174.916 0.02 . . . . . . . . . . 6431 1 1266 . 1 1 112 112 SER CB C 13 63.84 0.158 . . . . . . . . . . 6431 1 1267 . 1 1 112 112 SER HB2 H 1 3.823 0.02 . . . . . . . . . . 6431 1 1268 . 1 1 112 112 SER HB3 H 1 3.756 0.02 . . . . . . . . . . 6431 1 1269 . 1 1 113 113 SER H H 1 8.269 0.012 . . . . . . . . . . 6431 1 1270 . 1 1 113 113 SER N N 15 118.893 0.066 . . . . . . . . . . 6431 1 1271 . 1 1 113 113 SER CA C 13 58.411 0.165 . . . . . . . . . . 6431 1 1272 . 1 1 113 113 SER HA H 1 4.316 0.005 . . . . . . . . . . 6431 1 1273 . 1 1 113 113 SER C C 13 174.07 0.02 . . . . . . . . . . 6431 1 1274 . 1 1 113 113 SER CB C 13 63.851 0.231 . . . . . . . . . . 6431 1 1275 . 1 1 113 113 SER HB2 H 1 3.712 0.02 . . . . . . . . . . 6431 1 1276 . 1 1 113 113 SER HB3 H 1 3.712 0.02 . . . . . . . . . . 6431 1 1277 . 1 1 114 114 PHE H H 1 8.037 0.004 . . . . . . . . . . 6431 1 1278 . 1 1 114 114 PHE N N 15 122.324 0.141 . . . . . . . . . . 6431 1 1279 . 1 1 114 114 PHE CA C 13 57.68 0.183 . . . . . . . . . . 6431 1 1280 . 1 1 114 114 PHE HA H 1 4.277 0.225 . . . . . . . . . . 6431 1 1281 . 1 1 114 114 PHE C C 13 175.164 0.02 . . . . . . . . . . 6431 1 1282 . 1 1 114 114 PHE CB C 13 39.521 0.044 . . . . . . . . . . 6431 1 1283 . 1 1 114 114 PHE HB2 H 1 2.968 0.02 . . . . . . . . . . 6431 1 1284 . 1 1 114 114 PHE HB3 H 1 2.861 0.02 . . . . . . . . . . 6431 1 1285 . 1 1 114 114 PHE HD1 H 1 7.091 0.02 . . . . . . . . . . 6431 1 1286 . 1 1 114 114 PHE HD2 H 1 7.091 0.02 . . . . . . . . . . 6431 1 1287 . 1 1 114 114 PHE HE1 H 1 7.545 0.02 . . . . . . . . . . 6431 1 1288 . 1 1 114 114 PHE HE2 H 1 7.545 0.02 . . . . . . . . . . 6431 1 1289 . 1 1 115 115 PHE H H 1 8.028 0.005 . . . . . . . . . . 6431 1 1290 . 1 1 115 115 PHE N N 15 122.459 0.057 . . . . . . . . . . 6431 1 1291 . 1 1 115 115 PHE CA C 13 57.629 0.045 . . . . . . . . . . 6431 1 1292 . 1 1 115 115 PHE HA H 1 4.47 0.015 . . . . . . . . . . 6431 1 1293 . 1 1 115 115 PHE C C 13 174.923 0.02 . . . . . . . . . . 6431 1 1294 . 1 1 115 115 PHE CB C 13 39.862 0.02 . . . . . . . . . . 6431 1 1295 . 1 1 115 115 PHE HB2 H 1 2.923 0.03 . . . . . . . . . . 6431 1 1296 . 1 1 115 115 PHE HB3 H 1 2.875 0.02 . . . . . . . . . . 6431 1 1297 . 1 1 115 115 PHE HD1 H 1 7.08 0.02 . . . . . . . . . . 6431 1 1298 . 1 1 115 115 PHE HD2 H 1 7.08 0.02 . . . . . . . . . . 6431 1 1299 . 1 1 115 115 PHE HE1 H 1 7.251 0.02 . . . . . . . . . . 6431 1 1300 . 1 1 115 115 PHE HE2 H 1 7.251 0.02 . . . . . . . . . . 6431 1 1301 . 1 1 116 116 ILE H H 1 7.906 0.002 . . . . . . . . . . 6431 1 1302 . 1 1 116 116 ILE N N 15 124.44 0.075 . . . . . . . . . . 6431 1 1303 . 1 1 116 116 ILE CA C 13 60.542 0.042 . . . . . . . . . . 6431 1 1304 . 1 1 116 116 ILE HA H 1 3.97 0.001 . . . . . . . . . . 6431 1 1305 . 1 1 116 116 ILE C C 13 175.325 0.02 . . . . . . . . . . 6431 1 1306 . 1 1 116 116 ILE CB C 13 39.051 0.208 . . . . . . . . . . 6431 1 1307 . 1 1 116 116 ILE HB H 1 1.619 0.004 . . . . . . . . . . 6431 1 1308 . 1 1 116 116 ILE CG2 C 13 17.08 0.02 . . . . . . . . . . 6431 1 1309 . 1 1 116 116 ILE HG21 H 1 0.707 0.02 . . . . . . . . . . 6431 1 1310 . 1 1 116 116 ILE HG22 H 1 0.707 0.02 . . . . . . . . . . 6431 1 1311 . 1 1 116 116 ILE HG23 H 1 0.707 0.02 . . . . . . . . . . 6431 1 1312 . 1 1 116 116 ILE CG1 C 13 26.99 0.02 . . . . . . . . . . 6431 1 1313 . 1 1 116 116 ILE HG12 H 1 1.329 0.02 . . . . . . . . . . 6431 1 1314 . 1 1 116 116 ILE HG13 H 1 1.017 0.02 . . . . . . . . . . 6431 1 1315 . 1 1 116 116 ILE CD1 C 13 12.42 0.02 . . . . . . . . . . 6431 1 1316 . 1 1 116 116 ILE HD11 H 1 0.711 0.001 . . . . . . . . . . 6431 1 1317 . 1 1 116 116 ILE HD12 H 1 0.711 0.001 . . . . . . . . . . 6431 1 1318 . 1 1 116 116 ILE HD13 H 1 0.711 0.001 . . . . . . . . . . 6431 1 1319 . 1 1 117 117 PHE H H 1 8.333 0.002 . . . . . . . . . . 6431 1 1320 . 1 1 117 117 PHE N N 15 126.278 0.13 . . . . . . . . . . 6431 1 1321 . 1 1 117 117 PHE CA C 13 57.707 0.06 . . . . . . . . . . 6431 1 1322 . 1 1 117 117 PHE HA H 1 4.494 0.002 . . . . . . . . . . 6431 1 1323 . 1 1 117 117 PHE C C 13 175.28 0.02 . . . . . . . . . . 6431 1 1324 . 1 1 117 117 PHE CB C 13 39.71 0.096 . . . . . . . . . . 6431 1 1325 . 1 1 117 117 PHE HB2 H 1 2.982 0.02 . . . . . . . . . . 6431 1 1326 . 1 1 117 117 PHE HB3 H 1 2.982 0.02 . . . . . . . . . . 6431 1 1327 . 1 1 118 118 SER H H 1 8.181 0.002 . . . . . . . . . . 6431 1 1328 . 1 1 118 118 SER N N 15 121.091 0.072 . . . . . . . . . . 6431 1 1329 . 1 1 118 118 SER CA C 13 55.465 0.02 . . . . . . . . . . 6431 1 1330 . 1 1 118 118 SER HA H 1 4.637 0.02 . . . . . . . . . . 6431 1 1331 . 1 1 118 118 SER CB C 13 63.174 0.02 . . . . . . . . . . 6431 1 1332 . 1 1 118 118 SER HB2 H 1 3.688 0.02 . . . . . . . . . . 6431 1 1333 . 1 1 118 118 SER HB3 H 1 3.688 0.02 . . . . . . . . . . 6431 1 1334 . 1 1 119 119 PRO CA C 13 63.233 0.035 . . . . . . . . . . 6431 1 1335 . 1 1 119 119 PRO HA H 1 4.354 0.001 . . . . . . . . . . 6431 1 1336 . 1 1 119 119 PRO C C 13 177.219 0.02 . . . . . . . . . . 6431 1 1337 . 1 1 119 119 PRO CB C 13 32.21 0.02 . . . . . . . . . . 6431 1 1338 . 1 1 119 119 PRO HG2 H 1 2.016 0.02 . . . . . . . . . . 6431 1 1339 . 1 1 119 119 PRO HG3 H 1 1.931 0.02 . . . . . . . . . . 6431 1 1340 . 1 1 120 120 THR H H 1 8.152 0.002 . . . . . . . . . . 6431 1 1341 . 1 1 120 120 THR N N 15 113.913 0.071 . . . . . . . . . . 6431 1 1342 . 1 1 120 120 THR CA C 13 61.894 0.1 . . . . . . . . . . 6431 1 1343 . 1 1 120 120 THR HA H 1 4.225 0.002 . . . . . . . . . . 6431 1 1344 . 1 1 120 120 THR C C 13 174.423 0.02 . . . . . . . . . . 6431 1 1345 . 1 1 120 120 THR CB C 13 69.563 0.022 . . . . . . . . . . 6431 1 1346 . 1 1 120 120 THR HB H 1 4.164 0.02 . . . . . . . . . . 6431 1 1347 . 1 1 120 120 THR HG21 H 1 1.141 0.02 . . . . . . . . . . 6431 1 1348 . 1 1 120 120 THR HG22 H 1 1.141 0.02 . . . . . . . . . . 6431 1 1349 . 1 1 120 120 THR HG23 H 1 1.141 0.02 . . . . . . . . . . 6431 1 1350 . 1 1 121 121 ASN H H 1 8.283 0.003 . . . . . . . . . . 6431 1 1351 . 1 1 121 121 ASN N N 15 122.075 0.082 . . . . . . . . . . 6431 1 1352 . 1 1 121 121 ASN CA C 13 53.11 0.054 . . . . . . . . . . 6431 1 1353 . 1 1 121 121 ASN HA H 1 4.646 0.002 . . . . . . . . . . 6431 1 1354 . 1 1 121 121 ASN C C 13 177.559 0.02 . . . . . . . . . . 6431 1 1355 . 1 1 121 121 ASN CB C 13 38.926 0.117 . . . . . . . . . . 6431 1 1356 . 1 1 121 121 ASN HB2 H 1 2.697 0.02 . . . . . . . . . . 6431 1 1357 . 1 1 121 121 ASN HB3 H 1 2.697 0.02 . . . . . . . . . . 6431 1 1358 . 1 1 122 122 LYS H H 1 8.285 0.004 . . . . . . . . . . 6431 1 1359 . 1 1 122 122 LYS N N 15 123.053 0.037 . . . . . . . . . . 6431 1 1360 . 1 1 122 122 LYS CA C 13 56.109 0.047 . . . . . . . . . . 6431 1 1361 . 1 1 122 122 LYS HA H 1 4.258 0.005 . . . . . . . . . . 6431 1 1362 . 1 1 122 122 LYS C C 13 176.423 0.02 . . . . . . . . . . 6431 1 1363 . 1 1 122 122 LYS CB C 13 33.786 0.02 . . . . . . . . . . 6431 1 1364 . 1 1 122 122 LYS HB2 H 1 1.738 0.022 . . . . . . . . . . 6431 1 1365 . 1 1 122 122 LYS HB3 H 1 1.65 0.021 . . . . . . . . . . 6431 1 1366 . 1 1 122 122 LYS CG C 13 24.8 0.02 . . . . . . . . . . 6431 1 1367 . 1 1 122 122 LYS HG2 H 1 1.378 0.02 . . . . . . . . . . 6431 1 1368 . 1 1 122 122 LYS HG3 H 1 1.378 0.02 . . . . . . . . . . 6431 1 1369 . 1 1 122 122 LYS CD C 13 29.57 0.02 . . . . . . . . . . 6431 1 1370 . 1 1 122 122 LYS HD2 H 1 1.507 0.02 . . . . . . . . . . 6431 1 1371 . 1 1 122 122 LYS HD3 H 1 1.507 0.02 . . . . . . . . . . 6431 1 1372 . 1 1 122 122 LYS CE C 13 41.88 0.02 . . . . . . . . . . 6431 1 1373 . 1 1 122 122 LYS HE2 H 1 2.878 0.02 . . . . . . . . . . 6431 1 1374 . 1 1 122 122 LYS HE3 H 1 2.878 0.02 . . . . . . . . . . 6431 1 1375 . 1 1 123 123 VAL H H 1 8.192 0.003 . . . . . . . . . . 6431 1 1376 . 1 1 123 123 VAL N N 15 123.336 0.032 . . . . . . . . . . 6431 1 1377 . 1 1 123 123 VAL CA C 13 62.264 0.028 . . . . . . . . . . 6431 1 1378 . 1 1 123 123 VAL HA H 1 3.985 0.002 . . . . . . . . . . 6431 1 1379 . 1 1 123 123 VAL C C 13 175.795 0.02 . . . . . . . . . . 6431 1 1380 . 1 1 123 123 VAL CB C 13 32.932 0.27 . . . . . . . . . . 6431 1 1381 . 1 1 123 123 VAL HB H 1 1.961 0.02 . . . . . . . . . . 6431 1 1382 . 1 1 123 123 VAL CG1 C 13 20.89 0.02 . . . . . . . . . . 6431 1 1383 . 1 1 123 123 VAL HG11 H 1 0.872 0.02 . . . . . . . . . . 6431 1 1384 . 1 1 123 123 VAL HG12 H 1 0.872 0.02 . . . . . . . . . . 6431 1 1385 . 1 1 123 123 VAL HG13 H 1 0.872 0.02 . . . . . . . . . . 6431 1 1386 . 1 1 123 123 VAL CG2 C 13 20.89 0.02 . . . . . . . . . . 6431 1 1387 . 1 1 123 123 VAL HG21 H 1 0.857 0.015 . . . . . . . . . . 6431 1 1388 . 1 1 123 123 VAL HG22 H 1 0.857 0.015 . . . . . . . . . . 6431 1 1389 . 1 1 123 123 VAL HG23 H 1 0.857 0.015 . . . . . . . . . . 6431 1 1390 . 1 1 124 124 ARG H H 1 8.471 0.002 . . . . . . . . . . 6431 1 1391 . 1 1 124 124 ARG N N 15 127.373 0.077 . . . . . . . . . . 6431 1 1392 . 1 1 124 124 ARG CA C 13 55.876 0.042 . . . . . . . . . . 6431 1 1393 . 1 1 124 124 ARG HA H 1 4.271 0.011 . . . . . . . . . . 6431 1 1394 . 1 1 124 124 ARG C C 13 175.794 0.02 . . . . . . . . . . 6431 1 1395 . 1 1 124 124 ARG CB C 13 31.012 0.044 . . . . . . . . . . 6431 1 1396 . 1 1 124 124 ARG HB2 H 1 1.686 0.025 . . . . . . . . . . 6431 1 1397 . 1 1 124 124 ARG HB3 H 1 1.661 0.02 . . . . . . . . . . 6431 1 1398 . 1 1 124 124 ARG CG C 13 27.01 0.02 . . . . . . . . . . 6431 1 1399 . 1 1 124 124 ARG HG2 H 1 1.568 0.02 . . . . . . . . . . 6431 1 1400 . 1 1 124 124 ARG HG3 H 1 1.466 0.02 . . . . . . . . . . 6431 1 1401 . 1 1 124 124 ARG CD C 13 43.58 0.02 . . . . . . . . . . 6431 1 1402 . 1 1 124 124 ARG HD2 H 1 3.098 0.02 . . . . . . . . . . 6431 1 1403 . 1 1 124 124 ARG HD3 H 1 3.098 0.02 . . . . . . . . . . 6431 1 1404 . 1 1 125 125 VAL H H 1 8.371 0.003 . . . . . . . . . . 6431 1 1405 . 1 1 125 125 VAL N N 15 125.16 0.056 . . . . . . . . . . 6431 1 1406 . 1 1 125 125 VAL CA C 13 62.386 0.02 . . . . . . . . . . 6431 1 1407 . 1 1 125 125 VAL HA H 1 4.019 0.02 . . . . . . . . . . 6431 1 1408 . 1 1 125 125 VAL C C 13 175.243 0.02 . . . . . . . . . . 6431 1 1409 . 1 1 125 125 VAL CB C 13 32.636 0.02 . . . . . . . . . . 6431 1 1410 . 1 1 125 125 VAL HB H 1 1.981 0.02 . . . . . . . . . . 6431 1 1411 . 1 1 125 125 VAL CG1 C 13 20.88 0.02 . . . . . . . . . . 6431 1 1412 . 1 1 125 125 VAL HG11 H 1 0.875 0.02 . . . . . . . . . . 6431 1 1413 . 1 1 125 125 VAL HG12 H 1 0.875 0.02 . . . . . . . . . . 6431 1 1414 . 1 1 125 125 VAL HG13 H 1 0.875 0.02 . . . . . . . . . . 6431 1 1415 . 1 1 125 125 VAL CG2 C 13 20.88 0.02 . . . . . . . . . . 6431 1 1416 . 1 1 125 125 VAL HG21 H 1 0.899 0.02 . . . . . . . . . . 6431 1 1417 . 1 1 125 125 VAL HG22 H 1 0.899 0.02 . . . . . . . . . . 6431 1 1418 . 1 1 125 125 VAL HG23 H 1 0.899 0.02 . . . . . . . . . . 6431 1 1419 . 1 1 126 126 LEU H H 1 8.017 0.002 . . . . . . . . . . 6431 1 1420 . 1 1 126 126 LEU N N 15 133.4 0.135 . . . . . . . . . . 6431 1 1421 . 1 1 126 126 LEU CA C 13 56.63 0.02 . . . . . . . . . . 6431 1 1422 . 1 1 126 126 LEU HA H 1 4.116 0.02 . . . . . . . . . . 6431 1 1423 . 1 1 126 126 LEU CB C 13 43.26 0.02 . . . . . . . . . . 6431 1 1424 . 1 1 126 126 LEU CG C 13 26.98 0.02 . . . . . . . . . . 6431 1 1425 . 1 1 126 126 LEU CD1 C 13 24.73 0.02 . . . . . . . . . . 6431 1 1426 . 1 1 126 126 LEU HD11 H 1 0.816 0.02 . . . . . . . . . . 6431 1 1427 . 1 1 126 126 LEU HD12 H 1 0.816 0.02 . . . . . . . . . . 6431 1 1428 . 1 1 126 126 LEU HD13 H 1 0.816 0.02 . . . . . . . . . . 6431 1 1429 . 1 1 126 126 LEU CD2 C 13 24.58 0.02 . . . . . . . . . . 6431 1 1430 . 1 1 126 126 LEU HD21 H 1 0.835 0.02 . . . . . . . . . . 6431 1 1431 . 1 1 126 126 LEU HD22 H 1 0.835 0.02 . . . . . . . . . . 6431 1 1432 . 1 1 126 126 LEU HD23 H 1 0.835 0.02 . . . . . . . . . . 6431 1 1433 . 1 1 126 126 LEU HG H 1 1.522 0.02 . . . . . . . . . . 6431 1 stop_ save_