data_16617 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16617 _Entry.Title ; Solution structure of Avian Thymic Hormone ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-24 _Entry.Accession_date 2009-11-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Michael Henzl . T. . 16617 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16617 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EF-HAND PROTEIN' . 16617 'metal-binding protein' . 16617 parvalbumin . 16617 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16617 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 16617 '15N chemical shifts' 110 16617 '1H chemical shifts' 729 16617 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 2 . . 2010-05-18 2009-11-24 update BMRB 'complete entry citation' 16617 1 . . 2010-03-22 2009-11-24 original author 'original release' 16617 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KQY 'BMRB Entry Tracking System' 16617 PDB 3FS7 'Crystal structure of same protein in calcium-bound form' 16617 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16617 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20156445 _Citation.Full_citation . _Citation.Title 'Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 397 _Citation.Journal_issue 4 _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 991 _Citation.Page_last 1002 _Citation.Year 2010 _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 Jonathan Schuermann . P. . 16617 1 2 Anmin Tan . . . 16617 1 3 John Tanner . J. . 16617 1 4 Michael Henzl . T. . 16617 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16617 _Assembly.ID 1 _Assembly.Name ATH _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ATH 1 $ATH A . no native no no . . . 16617 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATH _Entity.Sf_category entity _Entity.Sf_framecode ATH _Entity.Entry_ID 16617 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ATH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AITDILSAKDIESALSSCQA ADSFNYKSFFSTVGLSSKTP DQIKKVFGILDQDKSGFIEE EELQLFLKNFSSSARVLTSA ETKAFLAAGDTDGDGKIGVE EFQSLVKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KQY . "Solution Structure Of Avian Thymic Hormone" . . . . . 100.00 108 100.00 100.00 2.72e-67 . . . . 16617 1 2 no PDB 3FS7 . "Crystal Structure Of Gallus Gallus Beta-Parvalbumin (Avian Thymic Hormone)" . . . . . 100.00 109 100.00 100.00 2.31e-67 . . . . 16617 1 3 no GB AAA48605 . "avian thymic hormone [Gallus gallus]" . . . . . 100.00 109 100.00 100.00 2.31e-67 . . . . 16617 1 4 no GB AAA48606 . "avian thymic hormone, partial [Gallus gallus]" . . . . . 57.41 62 98.39 98.39 1.32e-32 . . . . 16617 1 5 no GB EMC89994 . "Parvalbumin, thymic, partial [Columba livia]" . . . . . 100.00 110 97.22 98.15 8.69e-65 . . . . 16617 1 6 no GB EOB00978 . "Parvalbumin, thymic, partial [Anas platyrhynchos]" . . . . . 75.00 81 98.77 100.00 1.83e-47 . . . . 16617 1 7 no GB KFM12340 . "Parvalbumin, thymic [Aptenodytes forsteri]" . . . . . 100.00 109 99.07 99.07 2.38e-66 . . . . 16617 1 8 no REF NP_001007478 . "parvalbumin, thymic [Gallus gallus]" . . . . . 100.00 109 100.00 100.00 2.31e-67 . . . . 16617 1 9 no REF XP_003210593 . "PREDICTED: parvalbumin, thymic [Meleagris gallopavo]" . . . . . 100.00 109 100.00 100.00 2.31e-67 . . . . 16617 1 10 no REF XP_005020104 . "PREDICTED: parvalbumin, thymic [Anas platyrhynchos]" . . . . . 100.00 109 97.22 99.07 9.01e-66 . . . . 16617 1 11 no REF XP_005229015 . "PREDICTED: parvalbumin, thymic [Falco peregrinus]" . . . . . 100.00 109 97.22 99.07 3.89e-65 . . . . 16617 1 12 no REF XP_005442564 . "PREDICTED: parvalbumin, thymic [Falco cherrug]" . . . . . 100.00 109 97.22 99.07 3.89e-65 . . . . 16617 1 13 no SP P19753 . "RecName: Full=Parvalbumin, thymic; AltName: Full=Avian thymic hormone; Short=ATH; AltName: Full=Thymus-specific antigen T1" . . . . . 100.00 109 100.00 100.00 2.31e-67 . . . . 16617 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 . ALA . 16617 1 2 . ILE . 16617 1 3 . THR . 16617 1 4 . ASP . 16617 1 5 . ILE . 16617 1 6 . LEU . 16617 1 7 . SER . 16617 1 8 . ALA . 16617 1 9 . LYS . 16617 1 10 . ASP . 16617 1 11 . ILE . 16617 1 12 . GLU . 16617 1 13 . SER . 16617 1 14 . ALA . 16617 1 15 . LEU . 16617 1 16 . SER . 16617 1 17 . SER . 16617 1 18 . CYS . 16617 1 19 . GLN . 16617 1 20 . ALA . 16617 1 21 . ALA . 16617 1 22 . ASP . 16617 1 23 . SER . 16617 1 24 . PHE . 16617 1 25 . ASN . 16617 1 26 . TYR . 16617 1 27 . LYS . 16617 1 28 . SER . 16617 1 29 . PHE . 16617 1 30 . PHE . 16617 1 31 . SER . 16617 1 32 . THR . 16617 1 33 . VAL . 16617 1 34 . GLY . 16617 1 35 . LEU . 16617 1 36 . SER . 16617 1 37 . SER . 16617 1 38 . LYS . 16617 1 39 . THR . 16617 1 40 . PRO . 16617 1 41 . ASP . 16617 1 42 . GLN . 16617 1 43 . ILE . 16617 1 44 . LYS . 16617 1 45 . LYS . 16617 1 46 . VAL . 16617 1 47 . PHE . 16617 1 48 . GLY . 16617 1 49 . ILE . 16617 1 50 . LEU . 16617 1 51 . ASP . 16617 1 52 . GLN . 16617 1 53 . ASP . 16617 1 54 . LYS . 16617 1 55 . SER . 16617 1 56 . GLY . 16617 1 57 . PHE . 16617 1 58 . ILE . 16617 1 59 . GLU . 16617 1 60 . GLU . 16617 1 61 . GLU . 16617 1 62 . GLU . 16617 1 63 . LEU . 16617 1 64 . GLN . 16617 1 65 . LEU . 16617 1 66 . PHE . 16617 1 67 . LEU . 16617 1 68 . LYS . 16617 1 69 . ASN . 16617 1 70 . PHE . 16617 1 71 . SER . 16617 1 72 . SER . 16617 1 73 . SER . 16617 1 74 . ALA . 16617 1 75 . ARG . 16617 1 76 . VAL . 16617 1 77 . LEU . 16617 1 78 . THR . 16617 1 79 . SER . 16617 1 80 . ALA . 16617 1 81 . GLU . 16617 1 82 . THR . 16617 1 83 . LYS . 16617 1 84 . ALA . 16617 1 85 . PHE . 16617 1 86 . LEU . 16617 1 87 . ALA . 16617 1 88 . ALA . 16617 1 89 . GLY . 16617 1 90 . ASP . 16617 1 91 . THR . 16617 1 92 . ASP . 16617 1 93 . GLY . 16617 1 94 . ASP . 16617 1 95 . GLY . 16617 1 96 . LYS . 16617 1 97 . ILE . 16617 1 98 . GLY . 16617 1 99 . VAL . 16617 1 100 . GLU . 16617 1 101 . GLU . 16617 1 102 . PHE . 16617 1 103 . GLN . 16617 1 104 . SER . 16617 1 105 . LEU . 16617 1 106 . VAL . 16617 1 107 . LYS . 16617 1 108 . ALA . 16617 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 . ALA 1 1 16617 1 . ILE 2 2 16617 1 . THR 3 3 16617 1 . ASP 4 4 16617 1 . ILE 5 5 16617 1 . LEU 6 6 16617 1 . SER 7 7 16617 1 . ALA 8 8 16617 1 . LYS 9 9 16617 1 . ASP 10 10 16617 1 . ILE 11 11 16617 1 . GLU 12 12 16617 1 . SER 13 13 16617 1 . ALA 14 14 16617 1 . LEU 15 15 16617 1 . SER 16 16 16617 1 . SER 17 17 16617 1 . CYS 18 18 16617 1 . GLN 19 19 16617 1 . ALA 20 20 16617 1 . ALA 21 21 16617 1 . ASP 22 22 16617 1 . SER 23 23 16617 1 . PHE 24 24 16617 1 . ASN 25 25 16617 1 . TYR 26 26 16617 1 . LYS 27 27 16617 1 . SER 28 28 16617 1 . PHE 29 29 16617 1 . PHE 30 30 16617 1 . SER 31 31 16617 1 . THR 32 32 16617 1 . VAL 33 33 16617 1 . GLY 34 34 16617 1 . LEU 35 35 16617 1 . SER 36 36 16617 1 . SER 37 37 16617 1 . LYS 38 38 16617 1 . THR 39 39 16617 1 . PRO 40 40 16617 1 . ASP 41 41 16617 1 . GLN 42 42 16617 1 . ILE 43 43 16617 1 . LYS 44 44 16617 1 . LYS 45 45 16617 1 . VAL 46 46 16617 1 . PHE 47 47 16617 1 . GLY 48 48 16617 1 . ILE 49 49 16617 1 . LEU 50 50 16617 1 . ASP 51 51 16617 1 . GLN 52 52 16617 1 . ASP 53 53 16617 1 . LYS 54 54 16617 1 . SER 55 55 16617 1 . GLY 56 56 16617 1 . PHE 57 57 16617 1 . ILE 58 58 16617 1 . GLU 59 59 16617 1 . GLU 60 60 16617 1 . GLU 61 61 16617 1 . GLU 62 62 16617 1 . LEU 63 63 16617 1 . GLN 64 64 16617 1 . LEU 65 65 16617 1 . PHE 66 66 16617 1 . LEU 67 67 16617 1 . LYS 68 68 16617 1 . ASN 69 69 16617 1 . PHE 70 70 16617 1 . SER 71 71 16617 1 . SER 72 72 16617 1 . SER 73 73 16617 1 . ALA 74 74 16617 1 . ARG 75 75 16617 1 . VAL 76 76 16617 1 . LEU 77 77 16617 1 . THR 78 78 16617 1 . SER 79 79 16617 1 . ALA 80 80 16617 1 . GLU 81 81 16617 1 . THR 82 82 16617 1 . LYS 83 83 16617 1 . ALA 84 84 16617 1 . PHE 85 85 16617 1 . LEU 86 86 16617 1 . ALA 87 87 16617 1 . ALA 88 88 16617 1 . GLY 89 89 16617 1 . ASP 90 90 16617 1 . THR 91 91 16617 1 . ASP 92 92 16617 1 . GLY 93 93 16617 1 . ASP 94 94 16617 1 . GLY 95 95 16617 1 . LYS 96 96 16617 1 . ILE 97 97 16617 1 . GLY 98 98 16617 1 . VAL 99 99 16617 1 . GLU 100 100 16617 1 . GLU 101 101 16617 1 . PHE 102 102 16617 1 . GLN 103 103 16617 1 . SER 104 104 16617 1 . LEU 105 105 16617 1 . VAL 106 106 16617 1 . LYS 107 107 16617 1 . ALA 108 108 16617 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 16617 _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 $ATH . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 16617 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 16617 _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 $ATH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET11 . . . . . . 16617 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16617 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.3 . . . 16617 1 2 MES 'natural abundance' . . . . . . 10 . . mM 0.2 . . . 16617 1 3 THP 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16617 1 4 ATH '[U-98% 13C; U-98% 15N]' . . 1 $ATH . . 3 . . mM 0.3 . . . 16617 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16617 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.3 . . . 16617 2 2 MES 'natural abundance' . . . . . . 10 . . mM 0.2 . . . 16617 2 3 THP 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16617 2 4 ATH '[U-15% 13C; U-98% 15N]' . . 1 $ATH . . 3 . . mM 0.3 . . . 16617 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16617 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.3 . . . 16617 3 2 MES 'natural abundance' . . . . . . 10 . . mM 0.2 . . . 16617 3 3 THP 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16617 3 4 ATH '[U-98% 15N]' . . 1 $ATH . . 3 . . mM 0.3 . . . 16617 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16617 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.16 0.05 M 16617 1 pH 6.0 0.05 pH 16617 1 pressure 1 . atm 16617 1 temperature 273 0.5 K 16617 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16617 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16617 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16617 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16617 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16617 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16617 2 'peak picking' 16617 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16617 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16617 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16617 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16617 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16617 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16617 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16617 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16617 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16617 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 16617 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 8 '3D HCACOCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 14 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 15 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16617 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16617 _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 0.00 . indirect 0.251449530 . . . . . . . . . 16617 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16617 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16617 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16617 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16617 1 2 '2D 1H-13C HSQC' . . . 16617 1 3 '3D HNCA' . . . 16617 1 4 '3D HN(CO)CA' . . . 16617 1 5 '3D CBCA(CO)NH' . . . 16617 1 6 '3D HNCACB' . . . 16617 1 7 '3D HNCO' . . . 16617 1 8 '3D HCACOCANH' . . . 16617 1 9 '3D C(CO)NH' . . . 16617 1 10 '3D HCCH-TOCSY' . . . 16617 1 11 '3D HBHA(CO)NH' . . . 16617 1 12 '3D H(CCO)NH' . . . 16617 1 13 '3D 1H-15N TOCSY' . . . 16617 1 14 '2D HBCBCGCDHD' . . . 16617 1 15 '2D HBCBCGCDCEHE' . . . 16617 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE HA H 1 3.897 0.02 . . . . . . 2 ILE HA . 16617 1 2 . 1 1 2 2 ILE HB H 1 1.795 0.02 . . . . . . 2 ILE HB . 16617 1 3 . 1 1 2 2 ILE HD11 H 1 0.480 0.02 . . . . . . 2 ILE MD . 16617 1 4 . 1 1 2 2 ILE HD12 H 1 0.480 0.02 . . . . . . 2 ILE MD . 16617 1 5 . 1 1 2 2 ILE HD13 H 1 0.480 0.02 . . . . . . 2 ILE MD . 16617 1 6 . 1 1 2 2 ILE HG12 H 1 1.133 0.02 . . . . . . 2 ILE HG12 . 16617 1 7 . 1 1 2 2 ILE HG13 H 1 1.426 0.02 . . . . . . 2 ILE HG13 . 16617 1 8 . 1 1 2 2 ILE HG21 H 1 0.999 0.02 . . . . . . 2 ILE MG . 16617 1 9 . 1 1 2 2 ILE HG22 H 1 0.999 0.02 . . . . . . 2 ILE MG . 16617 1 10 . 1 1 2 2 ILE HG23 H 1 0.999 0.02 . . . . . . 2 ILE MG . 16617 1 11 . 1 1 2 2 ILE C C 13 176.400 0.3 . . . . . . 2 ILE C . 16617 1 12 . 1 1 2 2 ILE CA C 13 63.860 0.3 . . . . . . 2 ILE CA . 16617 1 13 . 1 1 2 2 ILE CB C 13 38.260 0.3 . . . . . . 2 ILE CB . 16617 1 14 . 1 1 2 2 ILE CD1 C 13 13.900 0.3 . . . . . . 2 ILE CD1 . 16617 1 15 . 1 1 2 2 ILE CG1 C 13 29.844 0.3 . . . . . . 2 ILE CG1 . 16617 1 16 . 1 1 2 2 ILE CG2 C 13 18.400 0.3 . . . . . . 2 ILE CG2 . 16617 1 17 . 1 1 3 3 THR H H 1 7.293 0.02 . . . . . . 3 THR H . 16617 1 18 . 1 1 3 3 THR HA H 1 4.990 0.02 . . . . . . 3 THR HA . 16617 1 19 . 1 1 3 3 THR HB H 1 4.620 0.02 . . . . . . 3 THR HB . 16617 1 20 . 1 1 3 3 THR HG21 H 1 1.260 0.02 . . . . . . 3 THR MG . 16617 1 21 . 1 1 3 3 THR HG22 H 1 1.260 0.02 . . . . . . 3 THR MG . 16617 1 22 . 1 1 3 3 THR HG23 H 1 1.260 0.02 . . . . . . 3 THR MG . 16617 1 23 . 1 1 3 3 THR C C 13 175.010 0.3 . . . . . . 3 THR C . 16617 1 24 . 1 1 3 3 THR CA C 13 62.290 0.3 . . . . . . 3 THR CA . 16617 1 25 . 1 1 3 3 THR CB C 13 67.900 0.3 . . . . . . 3 THR CB . 16617 1 26 . 1 1 3 3 THR CG2 C 13 22.533 0.3 . . . . . . 3 THR CG2 . 16617 1 27 . 1 1 3 3 THR N N 15 108.950 0.2 . . . . . . 3 THR N . 16617 1 28 . 1 1 4 4 ASP H H 1 7.749 0.02 . . . . . . 4 ASP H . 16617 1 29 . 1 1 4 4 ASP HA H 1 4.690 0.02 . . . . . . 4 ASP HA . 16617 1 30 . 1 1 4 4 ASP HB2 H 1 2.780 0.02 . . . . . . 4 ASP HB2 . 16617 1 31 . 1 1 4 4 ASP HB3 H 1 2.850 0.02 . . . . . . 4 ASP HB3 . 16617 1 32 . 1 1 4 4 ASP C C 13 176.010 0.3 . . . . . . 4 ASP C . 16617 1 33 . 1 1 4 4 ASP CA C 13 55.760 0.3 . . . . . . 4 ASP CA . 16617 1 34 . 1 1 4 4 ASP CB C 13 41.190 0.3 . . . . . . 4 ASP CB . 16617 1 35 . 1 1 4 4 ASP N N 15 118.685 0.2 . . . . . . 4 ASP N . 16617 1 36 . 1 1 5 5 ILE H H 1 7.456 0.02 . . . . . . 5 ILE H . 16617 1 37 . 1 1 5 5 ILE HA H 1 4.076 0.02 . . . . . . 5 ILE HA . 16617 1 38 . 1 1 5 5 ILE HB H 1 1.668 0.02 . . . . . . 5 ILE HB . 16617 1 39 . 1 1 5 5 ILE HD11 H 1 0.850 0.02 . . . . . . 5 ILE MD . 16617 1 40 . 1 1 5 5 ILE HD12 H 1 0.850 0.02 . . . . . . 5 ILE MD . 16617 1 41 . 1 1 5 5 ILE HD13 H 1 0.850 0.02 . . . . . . 5 ILE MD . 16617 1 42 . 1 1 5 5 ILE HG12 H 1 1.098 0.02 . . . . . . 5 ILE HG12 . 16617 1 43 . 1 1 5 5 ILE HG13 H 1 1.520 0.02 . . . . . . 5 ILE HG13 . 16617 1 44 . 1 1 5 5 ILE HG21 H 1 0.880 0.02 . . . . . . 5 ILE MG . 16617 1 45 . 1 1 5 5 ILE HG22 H 1 0.880 0.02 . . . . . . 5 ILE MG . 16617 1 46 . 1 1 5 5 ILE HG23 H 1 0.880 0.02 . . . . . . 5 ILE MG . 16617 1 47 . 1 1 5 5 ILE C C 13 174.200 0.3 . . . . . . 5 ILE C . 16617 1 48 . 1 1 5 5 ILE CA C 13 62.550 0.3 . . . . . . 5 ILE CA . 16617 1 49 . 1 1 5 5 ILE CB C 13 41.380 0.3 . . . . . . 5 ILE CB . 16617 1 50 . 1 1 5 5 ILE CD1 C 13 14.460 0.3 . . . . . . 5 ILE CD1 . 16617 1 51 . 1 1 5 5 ILE CG1 C 13 28.200 0.3 . . . . . . 5 ILE CG1 . 16617 1 52 . 1 1 5 5 ILE CG2 C 13 17.850 0.3 . . . . . . 5 ILE CG2 . 16617 1 53 . 1 1 5 5 ILE N N 15 118.090 0.2 . . . . . . 5 ILE N . 16617 1 54 . 1 1 6 6 LEU H H 1 7.917 0.02 . . . . . . 6 LEU H . 16617 1 55 . 1 1 6 6 LEU HA H 1 4.730 0.02 . . . . . . 6 LEU HA . 16617 1 56 . 1 1 6 6 LEU HB2 H 1 1.596 0.02 . . . . . . 6 LEU HB2 . 16617 1 57 . 1 1 6 6 LEU HB3 H 1 1.686 0.02 . . . . . . 6 LEU HB3 . 16617 1 58 . 1 1 6 6 LEU HD11 H 1 0.922 0.02 . . . . . . 6 LEU MD1 . 16617 1 59 . 1 1 6 6 LEU HD12 H 1 0.922 0.02 . . . . . . 6 LEU MD1 . 16617 1 60 . 1 1 6 6 LEU HD13 H 1 0.922 0.02 . . . . . . 6 LEU MD1 . 16617 1 61 . 1 1 6 6 LEU HD21 H 1 1.153 0.02 . . . . . . 6 LEU MD2 . 16617 1 62 . 1 1 6 6 LEU HD22 H 1 1.153 0.02 . . . . . . 6 LEU MD2 . 16617 1 63 . 1 1 6 6 LEU HD23 H 1 1.153 0.02 . . . . . . 6 LEU MD2 . 16617 1 64 . 1 1 6 6 LEU HG H 1 1.690 0.02 . . . . . . 6 LEU HG . 16617 1 65 . 1 1 6 6 LEU C C 13 175.010 0.3 . . . . . . 6 LEU C . 16617 1 66 . 1 1 6 6 LEU CA C 13 51.900 0.3 . . . . . . 6 LEU CA . 16617 1 67 . 1 1 6 6 LEU CB C 13 43.310 0.3 . . . . . . 6 LEU CB . 16617 1 68 . 1 1 6 6 LEU CD1 C 13 22.200 0.3 . . . . . . 6 LEU CD1 . 16617 1 69 . 1 1 6 6 LEU CD2 C 13 26.300 0.3 . . . . . . 6 LEU CD2 . 16617 1 70 . 1 1 6 6 LEU CG C 13 26.900 0.3 . . . . . . 6 LEU CG . 16617 1 71 . 1 1 6 6 LEU N N 15 117.867 0.2 . . . . . . 6 LEU N . 16617 1 72 . 1 1 7 7 SER H H 1 8.669 0.02 . . . . . . 7 SER H . 16617 1 73 . 1 1 7 7 SER HA H 1 4.560 0.02 . . . . . . 7 SER HA . 16617 1 74 . 1 1 7 7 SER HB2 H 1 3.931 0.02 . . . . . . 7 SER HB2 . 16617 1 75 . 1 1 7 7 SER HB3 H 1 4.095 0.02 . . . . . . 7 SER HB3 . 16617 1 76 . 1 1 7 7 SER C C 13 176.300 0.3 . . . . . . 7 SER C . 16617 1 77 . 1 1 7 7 SER CA C 13 56.900 0.3 . . . . . . 7 SER CA . 16617 1 78 . 1 1 7 7 SER CB C 13 63.800 0.3 . . . . . . 7 SER CB . 16617 1 79 . 1 1 7 7 SER N N 15 114.669 0.2 . . . . . . 7 SER N . 16617 1 80 . 1 1 8 8 ALA H H 1 9.168 0.02 . . . . . . 8 ALA H . 16617 1 81 . 1 1 8 8 ALA HA H 1 4.051 0.02 . . . . . . 8 ALA HA . 16617 1 82 . 1 1 8 8 ALA HB1 H 1 1.522 0.02 . . . . . . 8 ALA MB . 16617 1 83 . 1 1 8 8 ALA HB2 H 1 1.522 0.02 . . . . . . 8 ALA MB . 16617 1 84 . 1 1 8 8 ALA HB3 H 1 1.522 0.02 . . . . . . 8 ALA MB . 16617 1 85 . 1 1 8 8 ALA C C 13 180.200 0.3 . . . . . . 8 ALA C . 16617 1 86 . 1 1 8 8 ALA CA C 13 55.580 0.3 . . . . . . 8 ALA CA . 16617 1 87 . 1 1 8 8 ALA CB C 13 18.190 0.3 . . . . . . 8 ALA CB . 16617 1 88 . 1 1 8 8 ALA N N 15 129.537 0.2 . . . . . . 8 ALA N . 16617 1 89 . 1 1 9 9 LYS H H 1 8.278 0.02 . . . . . . 9 LYS H . 16617 1 90 . 1 1 9 9 LYS HA H 1 4.118 0.02 . . . . . . 9 LYS HA . 16617 1 91 . 1 1 9 9 LYS HB2 H 1 1.740 0.02 . . . . . . 9 LYS HB2 . 16617 1 92 . 1 1 9 9 LYS HB3 H 1 1.801 0.02 . . . . . . 9 LYS HB3 . 16617 1 93 . 1 1 9 9 LYS HD2 H 1 1.655 0.02 . . . . . . 9 LYS HD2 . 16617 1 94 . 1 1 9 9 LYS HD3 H 1 1.655 0.02 . . . . . . 9 LYS HD3 . 16617 1 95 . 1 1 9 9 LYS HE2 H 1 2.930 0.02 . . . . . . 9 LYS HE2 . 16617 1 96 . 1 1 9 9 LYS HE3 H 1 2.930 0.02 . . . . . . 9 LYS HE3 . 16617 1 97 . 1 1 9 9 LYS HG2 H 1 1.420 0.02 . . . . . . 9 LYS HG2 . 16617 1 98 . 1 1 9 9 LYS HG3 H 1 1.470 0.02 . . . . . . 9 LYS HG3 . 16617 1 99 . 1 1 9 9 LYS C C 13 178.700 0.3 . . . . . . 9 LYS C . 16617 1 100 . 1 1 9 9 LYS CA C 13 58.800 0.3 . . . . . . 9 LYS CA . 16617 1 101 . 1 1 9 9 LYS CB C 13 32.040 0.3 . . . . . . 9 LYS CB . 16617 1 102 . 1 1 9 9 LYS CD C 13 28.900 0.3 . . . . . . 9 LYS CD . 16617 1 103 . 1 1 9 9 LYS CE C 13 42.158 0.3 . . . . . . 9 LYS CE . 16617 1 104 . 1 1 9 9 LYS CG C 13 24.420 0.3 . . . . . . 9 LYS CG . 16617 1 105 . 1 1 9 9 LYS N N 15 117.852 0.2 . . . . . . 9 LYS N . 16617 1 106 . 1 1 10 10 ASP H H 1 7.239 0.02 . . . . . . 10 ASP H . 16617 1 107 . 1 1 10 10 ASP HA H 1 4.395 0.02 . . . . . . 10 ASP HA . 16617 1 108 . 1 1 10 10 ASP HB2 H 1 3.020 0.02 . . . . . . 10 ASP HB2 . 16617 1 109 . 1 1 10 10 ASP HB3 H 1 2.810 0.02 . . . . . . 10 ASP HB3 . 16617 1 110 . 1 1 10 10 ASP C C 13 178.500 0.3 . . . . . . 10 ASP C . 16617 1 111 . 1 1 10 10 ASP CA C 13 56.990 0.3 . . . . . . 10 ASP CA . 16617 1 112 . 1 1 10 10 ASP CB C 13 39.500 0.3 . . . . . . 10 ASP CB . 16617 1 113 . 1 1 10 10 ASP N N 15 121.518 0.2 . . . . . . 10 ASP N . 16617 1 114 . 1 1 11 11 ILE H H 1 8.257 0.02 . . . . . . 11 ILE H . 16617 1 115 . 1 1 11 11 ILE HA H 1 3.465 0.02 . . . . . . 11 ILE HA . 16617 1 116 . 1 1 11 11 ILE HB H 1 1.987 0.02 . . . . . . 11 ILE HB . 16617 1 117 . 1 1 11 11 ILE HD11 H 1 0.950 0.02 . . . . . . 11 ILE MD . 16617 1 118 . 1 1 11 11 ILE HD12 H 1 0.950 0.02 . . . . . . 11 ILE MD . 16617 1 119 . 1 1 11 11 ILE HD13 H 1 0.950 0.02 . . . . . . 11 ILE MD . 16617 1 120 . 1 1 11 11 ILE HG12 H 1 1.710 0.02 . . . . . . 11 ILE HG12 . 16617 1 121 . 1 1 11 11 ILE HG13 H 1 0.810 0.02 . . . . . . 11 ILE HG13 . 16617 1 122 . 1 1 11 11 ILE HG21 H 1 1.001 0.02 . . . . . . 11 ILE MG . 16617 1 123 . 1 1 11 11 ILE HG22 H 1 1.001 0.02 . . . . . . 11 ILE MG . 16617 1 124 . 1 1 11 11 ILE HG23 H 1 1.001 0.02 . . . . . . 11 ILE MG . 16617 1 125 . 1 1 11 11 ILE C C 13 177.100 0.3 . . . . . . 11 ILE C . 16617 1 126 . 1 1 11 11 ILE CA C 13 66.300 0.3 . . . . . . 11 ILE CA . 16617 1 127 . 1 1 11 11 ILE CB C 13 38.240 0.3 . . . . . . 11 ILE CB . 16617 1 128 . 1 1 11 11 ILE CD1 C 13 14.410 0.3 . . . . . . 11 ILE CD1 . 16617 1 129 . 1 1 11 11 ILE CG1 C 13 30.060 0.3 . . . . . . 11 ILE CG1 . 16617 1 130 . 1 1 11 11 ILE CG2 C 13 18.200 0.3 . . . . . . 11 ILE CG2 . 16617 1 131 . 1 1 11 11 ILE N N 15 121.045 0.2 . . . . . . 11 ILE N . 16617 1 132 . 1 1 12 12 GLU H H 1 8.111 0.02 . . . . . . 12 GLU H . 16617 1 133 . 1 1 12 12 GLU HA H 1 3.947 0.02 . . . . . . 12 GLU HA . 16617 1 134 . 1 1 12 12 GLU HB2 H 1 2.140 0.02 . . . . . . 12 GLU HB2 . 16617 1 135 . 1 1 12 12 GLU HB3 H 1 2.140 0.02 . . . . . . 12 GLU HB3 . 16617 1 136 . 1 1 12 12 GLU HG2 H 1 2.234 0.02 . . . . . . 12 GLU HG2 . 16617 1 137 . 1 1 12 12 GLU HG3 H 1 2.368 0.02 . . . . . . 12 GLU HG3 . 16617 1 138 . 1 1 12 12 GLU C C 13 179.900 0.3 . . . . . . 12 GLU C . 16617 1 139 . 1 1 12 12 GLU CA C 13 59.810 0.3 . . . . . . 12 GLU CA . 16617 1 140 . 1 1 12 12 GLU CB C 13 29.200 0.3 . . . . . . 12 GLU CB . 16617 1 141 . 1 1 12 12 GLU CG C 13 36.090 0.3 . . . . . . 12 GLU CG . 16617 1 142 . 1 1 12 12 GLU N N 15 119.151 0.2 . . . . . . 12 GLU N . 16617 1 143 . 1 1 13 13 SER H H 1 8.052 0.02 . . . . . . 13 SER H . 16617 1 144 . 1 1 13 13 SER HA H 1 4.179 0.02 . . . . . . 13 SER HA . 16617 1 145 . 1 1 13 13 SER HB2 H 1 3.967 0.02 . . . . . . 13 SER HB2 . 16617 1 146 . 1 1 13 13 SER HB3 H 1 3.813 0.02 . . . . . . 13 SER HB3 . 16617 1 147 . 1 1 13 13 SER C C 13 177.010 0.3 . . . . . . 13 SER C . 16617 1 148 . 1 1 13 13 SER CA C 13 61.400 0.3 . . . . . . 13 SER CA . 16617 1 149 . 1 1 13 13 SER CB C 13 62.800 0.3 . . . . . . 13 SER CB . 16617 1 150 . 1 1 13 13 SER N N 15 115.424 0.2 . . . . . . 13 SER N . 16617 1 151 . 1 1 14 14 ALA H H 1 8.488 0.02 . . . . . . 14 ALA H . 16617 1 152 . 1 1 14 14 ALA HA H 1 3.766 0.02 . . . . . . 14 ALA HA . 16617 1 153 . 1 1 14 14 ALA HB1 H 1 0.756 0.02 . . . . . . 14 ALA MB . 16617 1 154 . 1 1 14 14 ALA HB2 H 1 0.756 0.02 . . . . . . 14 ALA MB . 16617 1 155 . 1 1 14 14 ALA HB3 H 1 0.756 0.02 . . . . . . 14 ALA MB . 16617 1 156 . 1 1 14 14 ALA C C 13 180.900 0.3 . . . . . . 14 ALA C . 16617 1 157 . 1 1 14 14 ALA CA C 13 55.080 0.3 . . . . . . 14 ALA CA . 16617 1 158 . 1 1 14 14 ALA CB C 13 18.360 0.3 . . . . . . 14 ALA CB . 16617 1 159 . 1 1 14 14 ALA N N 15 125.024 0.2 . . . . . . 14 ALA N . 16617 1 160 . 1 1 15 15 LEU H H 1 8.695 0.02 . . . . . . 15 LEU H . 16617 1 161 . 1 1 15 15 LEU HA H 1 4.236 0.02 . . . . . . 15 LEU HA . 16617 1 162 . 1 1 15 15 LEU HB2 H 1 1.989 0.02 . . . . . . 15 LEU HB2 . 16617 1 163 . 1 1 15 15 LEU HB3 H 1 1.519 0.02 . . . . . . 15 LEU HB3 . 16617 1 164 . 1 1 15 15 LEU HD11 H 1 0.909 0.02 . . . . . . 15 LEU MD1 . 16617 1 165 . 1 1 15 15 LEU HD12 H 1 0.909 0.02 . . . . . . 15 LEU MD1 . 16617 1 166 . 1 1 15 15 LEU HD13 H 1 0.909 0.02 . . . . . . 15 LEU MD1 . 16617 1 167 . 1 1 15 15 LEU HD21 H 1 1.015 0.02 . . . . . . 15 LEU MD2 . 16617 1 168 . 1 1 15 15 LEU HD22 H 1 1.015 0.02 . . . . . . 15 LEU MD2 . 16617 1 169 . 1 1 15 15 LEU HD23 H 1 1.015 0.02 . . . . . . 15 LEU MD2 . 16617 1 170 . 1 1 15 15 LEU HG H 1 1.920 0.02 . . . . . . 15 LEU HG . 16617 1 171 . 1 1 15 15 LEU C C 13 180.700 0.3 . . . . . . 15 LEU C . 16617 1 172 . 1 1 15 15 LEU CA C 13 57.460 0.3 . . . . . . 15 LEU CA . 16617 1 173 . 1 1 15 15 LEU CB C 13 41.280 0.3 . . . . . . 15 LEU CB . 16617 1 174 . 1 1 15 15 LEU CD1 C 13 27.550 0.3 . . . . . . 15 LEU CD1 . 16617 1 175 . 1 1 15 15 LEU CD2 C 13 24.350 0.3 . . . . . . 15 LEU CD2 . 16617 1 176 . 1 1 15 15 LEU CG C 13 27.300 0.3 . . . . . . 15 LEU CG . 16617 1 177 . 1 1 15 15 LEU N N 15 118.322 0.2 . . . . . . 15 LEU N . 16617 1 178 . 1 1 16 16 SER H H 1 8.341 0.02 . . . . . . 16 SER H . 16617 1 179 . 1 1 16 16 SER HA H 1 4.277 0.02 . . . . . . 16 SER HA . 16617 1 180 . 1 1 16 16 SER HB2 H 1 4.036 0.02 . . . . . . 16 SER HB2 . 16617 1 181 . 1 1 16 16 SER HB3 H 1 4.036 0.02 . . . . . . 16 SER HB3 . 16617 1 182 . 1 1 16 16 SER C C 13 177.400 0.3 . . . . . . 16 SER C . 16617 1 183 . 1 1 16 16 SER CA C 13 61.550 0.3 . . . . . . 16 SER CA . 16617 1 184 . 1 1 16 16 SER CB C 13 62.580 0.3 . . . . . . 16 SER CB . 16617 1 185 . 1 1 16 16 SER N N 15 115.956 0.2 . . . . . . 16 SER N . 16617 1 186 . 1 1 17 17 SER H H 1 7.593 0.02 . . . . . . 17 SER H . 16617 1 187 . 1 1 17 17 SER HA H 1 4.463 0.02 . . . . . . 17 SER HA . 16617 1 188 . 1 1 17 17 SER HB2 H 1 4.001 0.02 . . . . . . 17 SER HB2 . 16617 1 189 . 1 1 17 17 SER HB3 H 1 4.001 0.02 . . . . . . 17 SER HB3 . 16617 1 190 . 1 1 17 17 SER C C 13 174.900 0.3 . . . . . . 17 SER C . 16617 1 191 . 1 1 17 17 SER CA C 13 60.520 0.3 . . . . . . 17 SER CA . 16617 1 192 . 1 1 17 17 SER CB C 13 63.810 0.3 . . . . . . 17 SER CB . 16617 1 193 . 1 1 17 17 SER N N 15 113.991 0.2 . . . . . . 17 SER N . 16617 1 194 . 1 1 18 18 CYS H H 1 7.506 0.02 . . . . . . 18 CYS H . 16617 1 195 . 1 1 18 18 CYS HA H 1 5.740 0.02 . . . . . . 18 CYS HA . 16617 1 196 . 1 1 18 18 CYS HB2 H 1 3.128 0.02 . . . . . . 18 CYS HB2 . 16617 1 197 . 1 1 18 18 CYS HB3 H 1 2.944 0.02 . . . . . . 18 CYS HB3 . 16617 1 198 . 1 1 18 18 CYS C C 13 174.700 0.3 . . . . . . 18 CYS C . 16617 1 199 . 1 1 18 18 CYS CA C 13 55.430 0.3 . . . . . . 18 CYS CA . 16617 1 200 . 1 1 18 18 CYS CB C 13 27.780 0.3 . . . . . . 18 CYS CB . 16617 1 201 . 1 1 18 18 CYS N N 15 114.491 0.2 . . . . . . 18 CYS N . 16617 1 202 . 1 1 19 19 GLN H H 1 7.339 0.02 . . . . . . 19 GLN H . 16617 1 203 . 1 1 19 19 GLN HA H 1 4.125 0.02 . . . . . . 19 GLN HA . 16617 1 204 . 1 1 19 19 GLN HB2 H 1 2.187 0.02 . . . . . . 19 GLN HB2 . 16617 1 205 . 1 1 19 19 GLN HB3 H 1 2.187 0.02 . . . . . . 19 GLN HB3 . 16617 1 206 . 1 1 19 19 GLN HE21 H 1 6.910 0.02 . . . . . . 19 GLN HE21 . 16617 1 207 . 1 1 19 19 GLN HE22 H 1 7.590 0.02 . . . . . . 19 GLN HE22 . 16617 1 208 . 1 1 19 19 GLN HG2 H 1 2.470 0.02 . . . . . . 19 GLN HG2 . 16617 1 209 . 1 1 19 19 GLN HG3 H 1 2.570 0.02 . . . . . . 19 GLN HG3 . 16617 1 210 . 1 1 19 19 GLN C C 13 176.400 0.3 . . . . . . 19 GLN C . 16617 1 211 . 1 1 19 19 GLN CA C 13 59.200 0.3 . . . . . . 19 GLN CA . 16617 1 212 . 1 1 19 19 GLN CB C 13 29.270 0.3 . . . . . . 19 GLN CB . 16617 1 213 . 1 1 19 19 GLN CG C 13 33.970 0.3 . . . . . . 19 GLN CG . 16617 1 214 . 1 1 19 19 GLN N N 15 122.591 0.2 . . . . . . 19 GLN N . 16617 1 215 . 1 1 19 19 GLN NE2 N 15 111.600 0.2 . . . . . . 19 GLN NE2 . 16617 1 216 . 1 1 20 20 ALA H H 1 8.163 0.02 . . . . . . 20 ALA H . 16617 1 217 . 1 1 20 20 ALA HA H 1 4.290 0.02 . . . . . . 20 ALA HA . 16617 1 218 . 1 1 20 20 ALA HB1 H 1 1.332 0.02 . . . . . . 20 ALA MB . 16617 1 219 . 1 1 20 20 ALA HB2 H 1 1.332 0.02 . . . . . . 20 ALA MB . 16617 1 220 . 1 1 20 20 ALA HB3 H 1 1.332 0.02 . . . . . . 20 ALA MB . 16617 1 221 . 1 1 20 20 ALA C C 13 178.500 0.3 . . . . . . 20 ALA C . 16617 1 222 . 1 1 20 20 ALA CA C 13 51.810 0.3 . . . . . . 20 ALA CA . 16617 1 223 . 1 1 20 20 ALA CB C 13 19.060 0.3 . . . . . . 20 ALA CB . 16617 1 224 . 1 1 20 20 ALA N N 15 119.740 0.2 . . . . . . 20 ALA N . 16617 1 225 . 1 1 21 21 ALA H H 1 8.906 0.02 . . . . . . 21 ALA H . 16617 1 226 . 1 1 21 21 ALA HA H 1 3.840 0.02 . . . . . . 21 ALA HA . 16617 1 227 . 1 1 21 21 ALA HB1 H 1 1.347 0.02 . . . . . . 21 ALA MB . 16617 1 228 . 1 1 21 21 ALA HB2 H 1 1.347 0.02 . . . . . . 21 ALA MB . 16617 1 229 . 1 1 21 21 ALA HB3 H 1 1.347 0.02 . . . . . . 21 ALA MB . 16617 1 230 . 1 1 21 21 ALA C C 13 177.600 0.3 . . . . . . 21 ALA C . 16617 1 231 . 1 1 21 21 ALA CA C 13 54.150 0.3 . . . . . . 21 ALA CA . 16617 1 232 . 1 1 21 21 ALA CB C 13 17.920 0.3 . . . . . . 21 ALA CB . 16617 1 233 . 1 1 21 21 ALA N N 15 126.296 0.2 . . . . . . 21 ALA N . 16617 1 234 . 1 1 22 22 ASP H H 1 7.072 0.02 . . . . . . 22 ASP H . 16617 1 235 . 1 1 22 22 ASP HA H 1 4.517 0.02 . . . . . . 22 ASP HA . 16617 1 236 . 1 1 22 22 ASP HB2 H 1 2.920 0.02 . . . . . . 22 ASP HB2 . 16617 1 237 . 1 1 22 22 ASP HB3 H 1 2.920 0.02 . . . . . . 22 ASP HB3 . 16617 1 238 . 1 1 22 22 ASP C C 13 175.200 0.3 . . . . . . 22 ASP C . 16617 1 239 . 1 1 22 22 ASP CA C 13 58.550 0.3 . . . . . . 22 ASP CA . 16617 1 240 . 1 1 22 22 ASP CB C 13 38.420 0.3 . . . . . . 22 ASP CB . 16617 1 241 . 1 1 22 22 ASP N N 15 113.934 0.2 . . . . . . 22 ASP N . 16617 1 242 . 1 1 23 23 SER H H 1 7.694 0.02 . . . . . . 23 SER H . 16617 1 243 . 1 1 23 23 SER HA H 1 4.530 0.02 . . . . . . 23 SER HA . 16617 1 244 . 1 1 23 23 SER HB2 H 1 4.133 0.02 . . . . . . 23 SER HB2 . 16617 1 245 . 1 1 23 23 SER HB3 H 1 3.591 0.02 . . . . . . 23 SER HB3 . 16617 1 246 . 1 1 23 23 SER C C 13 175.800 0.3 . . . . . . 23 SER C . 16617 1 247 . 1 1 23 23 SER CA C 13 58.950 0.3 . . . . . . 23 SER CA . 16617 1 248 . 1 1 23 23 SER CB C 13 65.270 0.3 . . . . . . 23 SER CB . 16617 1 249 . 1 1 23 23 SER N N 15 111.400 0.2 . . . . . . 23 SER N . 16617 1 250 . 1 1 24 24 PHE H H 1 9.302 0.02 . . . . . . 24 PHE H . 16617 1 251 . 1 1 24 24 PHE HA H 1 4.169 0.02 . . . . . . 24 PHE HA . 16617 1 252 . 1 1 24 24 PHE HB2 H 1 2.876 0.02 . . . . . . 24 PHE HB2 . 16617 1 253 . 1 1 24 24 PHE HB3 H 1 2.876 0.02 . . . . . . 24 PHE HB3 . 16617 1 254 . 1 1 24 24 PHE HD1 H 1 7.198 0.02 . . . . . . 24 PHE HD1 . 16617 1 255 . 1 1 24 24 PHE HD2 H 1 7.198 0.02 . . . . . . 24 PHE HD2 . 16617 1 256 . 1 1 24 24 PHE HE1 H 1 6.171 0.02 . . . . . . 24 PHE HE1 . 16617 1 257 . 1 1 24 24 PHE HE2 H 1 6.171 0.02 . . . . . . 24 PHE HE2 . 16617 1 258 . 1 1 24 24 PHE C C 13 174.200 0.3 . . . . . . 24 PHE C . 16617 1 259 . 1 1 24 24 PHE CA C 13 59.940 0.3 . . . . . . 24 PHE CA . 16617 1 260 . 1 1 24 24 PHE CB C 13 40.150 0.3 . . . . . . 24 PHE CB . 16617 1 261 . 1 1 24 24 PHE N N 15 125.587 0.2 . . . . . . 24 PHE N . 16617 1 262 . 1 1 25 25 ASN H H 1 7.483 0.02 . . . . . . 25 ASN H . 16617 1 263 . 1 1 25 25 ASN HA H 1 4.463 0.02 . . . . . . 25 ASN HA . 16617 1 264 . 1 1 25 25 ASN HB2 H 1 2.447 0.02 . . . . . . 25 ASN HB2 . 16617 1 265 . 1 1 25 25 ASN HB3 H 1 2.508 0.02 . . . . . . 25 ASN HB3 . 16617 1 266 . 1 1 25 25 ASN HD21 H 1 6.742 0.02 . . . . . . 25 ASN HD21 . 16617 1 267 . 1 1 25 25 ASN HD22 H 1 7.615 0.02 . . . . . . 25 ASN HD22 . 16617 1 268 . 1 1 25 25 ASN C C 13 175.010 0.3 . . . . . . 25 ASN C . 16617 1 269 . 1 1 25 25 ASN CA C 13 51.600 0.3 . . . . . . 25 ASN CA . 16617 1 270 . 1 1 25 25 ASN CB C 13 40.720 0.3 . . . . . . 25 ASN CB . 16617 1 271 . 1 1 25 25 ASN N N 15 126.414 0.2 . . . . . . 25 ASN N . 16617 1 272 . 1 1 25 25 ASN ND2 N 15 113.200 0.2 . . . . . . 25 ASN ND2 . 16617 1 273 . 1 1 26 26 TYR H H 1 8.321 0.02 . . . . . . 26 TYR H . 16617 1 274 . 1 1 26 26 TYR HA H 1 2.926 0.02 . . . . . . 26 TYR HA . 16617 1 275 . 1 1 26 26 TYR HB2 H 1 1.954 0.02 . . . . . . 26 TYR HB2 . 16617 1 276 . 1 1 26 26 TYR HB3 H 1 1.747 0.02 . . . . . . 26 TYR HB3 . 16617 1 277 . 1 1 26 26 TYR HD1 H 1 6.777 0.02 . . . . . . 26 TYR HD1 . 16617 1 278 . 1 1 26 26 TYR HD2 H 1 6.777 0.02 . . . . . . 26 TYR HD2 . 16617 1 279 . 1 1 26 26 TYR HE1 H 1 6.753 0.02 . . . . . . 26 TYR HE1 . 16617 1 280 . 1 1 26 26 TYR HE2 H 1 6.753 0.02 . . . . . . 26 TYR HE2 . 16617 1 281 . 1 1 26 26 TYR C C 13 174.400 0.3 . . . . . . 26 TYR C . 16617 1 282 . 1 1 26 26 TYR CA C 13 60.400 0.3 . . . . . . 26 TYR CA . 16617 1 283 . 1 1 26 26 TYR CB C 13 35.980 0.3 . . . . . . 26 TYR CB . 16617 1 284 . 1 1 26 26 TYR N N 15 124.423 0.2 . . . . . . 26 TYR N . 16617 1 285 . 1 1 27 27 LYS H H 1 6.140 0.02 . . . . . . 27 LYS H . 16617 1 286 . 1 1 27 27 LYS HA H 1 3.702 0.02 . . . . . . 27 LYS HA . 16617 1 287 . 1 1 27 27 LYS HB2 H 1 1.460 0.02 . . . . . . 27 LYS HB2 . 16617 1 288 . 1 1 27 27 LYS HB3 H 1 1.160 0.02 . . . . . . 27 LYS HB3 . 16617 1 289 . 1 1 27 27 LYS HD2 H 1 1.528 0.02 . . . . . . 27 LYS HD2 . 16617 1 290 . 1 1 27 27 LYS HD3 H 1 1.528 0.02 . . . . . . 27 LYS HD3 . 16617 1 291 . 1 1 27 27 LYS HE2 H 1 2.910 0.02 . . . . . . 27 LYS HE2 . 16617 1 292 . 1 1 27 27 LYS HE3 H 1 2.910 0.02 . . . . . . 27 LYS HE3 . 16617 1 293 . 1 1 27 27 LYS HG2 H 1 0.969 0.02 . . . . . . 27 LYS HG2 . 16617 1 294 . 1 1 27 27 LYS HG3 H 1 1.066 0.02 . . . . . . 27 LYS HG3 . 16617 1 295 . 1 1 27 27 LYS C C 13 179.800 0.3 . . . . . . 27 LYS C . 16617 1 296 . 1 1 27 27 LYS CA C 13 59.080 0.3 . . . . . . 27 LYS CA . 16617 1 297 . 1 1 27 27 LYS CB C 13 31.750 0.3 . . . . . . 27 LYS CB . 16617 1 298 . 1 1 27 27 LYS CD C 13 29.181 0.3 . . . . . . 27 LYS CD . 16617 1 299 . 1 1 27 27 LYS CE C 13 42.050 0.3 . . . . . . 27 LYS CE . 16617 1 300 . 1 1 27 27 LYS CG C 13 24.950 0.3 . . . . . . 27 LYS CG . 16617 1 301 . 1 1 27 27 LYS N N 15 122.083 0.2 . . . . . . 27 LYS N . 16617 1 302 . 1 1 28 28 SER H H 1 7.313 0.02 . . . . . . 28 SER H . 16617 1 303 . 1 1 28 28 SER HA H 1 4.145 0.02 . . . . . . 28 SER HA . 16617 1 304 . 1 1 28 28 SER HB2 H 1 3.765 0.02 . . . . . . 28 SER HB2 . 16617 1 305 . 1 1 28 28 SER HB3 H 1 3.765 0.02 . . . . . . 28 SER HB3 . 16617 1 306 . 1 1 28 28 SER C C 13 176.800 0.3 . . . . . . 28 SER C . 16617 1 307 . 1 1 28 28 SER CA C 13 60.300 0.3 . . . . . . 28 SER CA . 16617 1 308 . 1 1 28 28 SER CB C 13 62.490 0.3 . . . . . . 28 SER CB . 16617 1 309 . 1 1 28 28 SER N N 15 114.583 0.2 . . . . . . 28 SER N . 16617 1 310 . 1 1 29 29 PHE H H 1 8.138 0.02 . . . . . . 29 PHE H . 16617 1 311 . 1 1 29 29 PHE HA H 1 3.567 0.02 . . . . . . 29 PHE HA . 16617 1 312 . 1 1 29 29 PHE HB2 H 1 2.705 0.02 . . . . . . 29 PHE HB2 . 16617 1 313 . 1 1 29 29 PHE HB3 H 1 2.557 0.02 . . . . . . 29 PHE HB3 . 16617 1 314 . 1 1 29 29 PHE HD1 H 1 6.999 0.02 . . . . . . 29 PHE HD1 . 16617 1 315 . 1 1 29 29 PHE HD2 H 1 6.999 0.02 . . . . . . 29 PHE HD2 . 16617 1 316 . 1 1 29 29 PHE HE1 H 1 6.563 0.02 . . . . . . 29 PHE HE1 . 16617 1 317 . 1 1 29 29 PHE HE2 H 1 6.563 0.02 . . . . . . 29 PHE HE2 . 16617 1 318 . 1 1 29 29 PHE C C 13 177.400 0.3 . . . . . . 29 PHE C . 16617 1 319 . 1 1 29 29 PHE CA C 13 61.570 0.3 . . . . . . 29 PHE CA . 16617 1 320 . 1 1 29 29 PHE CB C 13 39.780 0.3 . . . . . . 29 PHE CB . 16617 1 321 . 1 1 29 29 PHE N N 15 123.437 0.2 . . . . . . 29 PHE N . 16617 1 322 . 1 1 30 30 PHE H H 1 8.921 0.02 . . . . . . 30 PHE H . 16617 1 323 . 1 1 30 30 PHE HA H 1 4.567 0.02 . . . . . . 30 PHE HA . 16617 1 324 . 1 1 30 30 PHE HB2 H 1 3.467 0.02 . . . . . . 30 PHE HB2 . 16617 1 325 . 1 1 30 30 PHE HB3 H 1 3.287 0.02 . . . . . . 30 PHE HB3 . 16617 1 326 . 1 1 30 30 PHE HD1 H 1 7.509 0.02 . . . . . . 30 PHE HD1 . 16617 1 327 . 1 1 30 30 PHE HD2 H 1 7.509 0.02 . . . . . . 30 PHE HD2 . 16617 1 328 . 1 1 30 30 PHE HE1 H 1 7.346 0.02 . . . . . . 30 PHE HE1 . 16617 1 329 . 1 1 30 30 PHE HE2 H 1 7.346 0.02 . . . . . . 30 PHE HE2 . 16617 1 330 . 1 1 30 30 PHE C C 13 178.600 0.3 . . . . . . 30 PHE C . 16617 1 331 . 1 1 30 30 PHE CA C 13 59.170 0.3 . . . . . . 30 PHE CA . 16617 1 332 . 1 1 30 30 PHE CB C 13 37.310 0.3 . . . . . . 30 PHE CB . 16617 1 333 . 1 1 30 30 PHE N N 15 116.125 0.2 . . . . . . 30 PHE N . 16617 1 334 . 1 1 31 31 SER H H 1 7.785 0.02 . . . . . . 31 SER H . 16617 1 335 . 1 1 31 31 SER HA H 1 4.468 0.02 . . . . . . 31 SER HA . 16617 1 336 . 1 1 31 31 SER HB2 H 1 3.998 0.02 . . . . . . 31 SER HB2 . 16617 1 337 . 1 1 31 31 SER HB3 H 1 3.998 0.02 . . . . . . 31 SER HB3 . 16617 1 338 . 1 1 31 31 SER C C 13 178.010 0.3 . . . . . . 31 SER C . 16617 1 339 . 1 1 31 31 SER CA C 13 60.600 0.3 . . . . . . 31 SER CA . 16617 1 340 . 1 1 31 31 SER CB C 13 62.890 0.3 . . . . . . 31 SER CB . 16617 1 341 . 1 1 31 31 SER N N 15 113.661 0.2 . . . . . . 31 SER N . 16617 1 342 . 1 1 32 32 THR H H 1 8.595 0.02 . . . . . . 32 THR H . 16617 1 343 . 1 1 32 32 THR HA H 1 3.799 0.02 . . . . . . 32 THR HA . 16617 1 344 . 1 1 32 32 THR HB H 1 3.803 0.02 . . . . . . 32 THR HB . 16617 1 345 . 1 1 32 32 THR HG21 H 1 1.040 0.02 . . . . . . 32 THR MG . 16617 1 346 . 1 1 32 32 THR HG22 H 1 1.040 0.02 . . . . . . 32 THR MG . 16617 1 347 . 1 1 32 32 THR HG23 H 1 1.040 0.02 . . . . . . 32 THR MG . 16617 1 348 . 1 1 32 32 THR C C 13 178.800 0.3 . . . . . . 32 THR C . 16617 1 349 . 1 1 32 32 THR CA C 13 66.630 0.3 . . . . . . 32 THR CA . 16617 1 350 . 1 1 32 32 THR CB C 13 68.250 0.3 . . . . . . 32 THR CB . 16617 1 351 . 1 1 32 32 THR CG2 C 13 21.410 0.3 . . . . . . 32 THR CG2 . 16617 1 352 . 1 1 32 32 THR N N 15 120.336 0.2 . . . . . . 32 THR N . 16617 1 353 . 1 1 33 33 VAL H H 1 8.390 0.02 . . . . . . 33 VAL H . 16617 1 354 . 1 1 33 33 VAL HA H 1 3.786 0.02 . . . . . . 33 VAL HA . 16617 1 355 . 1 1 33 33 VAL HB H 1 1.443 0.02 . . . . . . 33 VAL HB . 16617 1 356 . 1 1 33 33 VAL HG11 H 1 0.934 0.02 . . . . . . 33 VAL MG1 . 16617 1 357 . 1 1 33 33 VAL HG12 H 1 0.934 0.02 . . . . . . 33 VAL MG1 . 16617 1 358 . 1 1 33 33 VAL HG13 H 1 0.934 0.02 . . . . . . 33 VAL MG1 . 16617 1 359 . 1 1 33 33 VAL HG21 H 1 0.885 0.02 . . . . . . 33 VAL MG2 . 16617 1 360 . 1 1 33 33 VAL HG22 H 1 0.885 0.02 . . . . . . 33 VAL MG2 . 16617 1 361 . 1 1 33 33 VAL HG23 H 1 0.885 0.02 . . . . . . 33 VAL MG2 . 16617 1 362 . 1 1 33 33 VAL C C 13 174.600 0.3 . . . . . . 33 VAL C . 16617 1 363 . 1 1 33 33 VAL CA C 13 62.220 0.3 . . . . . . 33 VAL CA . 16617 1 364 . 1 1 33 33 VAL CB C 13 31.800 0.3 . . . . . . 33 VAL CB . 16617 1 365 . 1 1 33 33 VAL CG1 C 13 24.100 0.3 . . . . . . 33 VAL CG1 . 16617 1 366 . 1 1 33 33 VAL CG2 C 13 21.620 0.3 . . . . . . 33 VAL CG2 . 16617 1 367 . 1 1 33 33 VAL N N 15 115.700 0.2 . . . . . . 33 VAL N . 16617 1 368 . 1 1 34 34 GLY H H 1 7.264 0.02 . . . . . . 34 GLY H . 16617 1 369 . 1 1 34 34 GLY HA2 H 1 4.225 0.02 . . . . . . 34 GLY HA2 . 16617 1 370 . 1 1 34 34 GLY HA3 H 1 3.957 0.02 . . . . . . 34 GLY HA3 . 16617 1 371 . 1 1 34 34 GLY C C 13 175.700 0.3 . . . . . . 34 GLY C . 16617 1 372 . 1 1 34 34 GLY CA C 13 45.410 0.3 . . . . . . 34 GLY CA . 16617 1 373 . 1 1 34 34 GLY N N 15 106.007 0.2 . . . . . . 34 GLY N . 16617 1 374 . 1 1 35 35 LEU H H 1 7.727 0.02 . . . . . . 35 LEU H . 16617 1 375 . 1 1 35 35 LEU HA H 1 4.108 0.02 . . . . . . 35 LEU HA . 16617 1 376 . 1 1 35 35 LEU HB2 H 1 1.704 0.02 . . . . . . 35 LEU HB2 . 16617 1 377 . 1 1 35 35 LEU HB3 H 1 1.540 0.02 . . . . . . 35 LEU HB3 . 16617 1 378 . 1 1 35 35 LEU HD11 H 1 0.955 0.02 . . . . . . 35 LEU MD1 . 16617 1 379 . 1 1 35 35 LEU HD12 H 1 0.955 0.02 . . . . . . 35 LEU MD1 . 16617 1 380 . 1 1 35 35 LEU HD13 H 1 0.955 0.02 . . . . . . 35 LEU MD1 . 16617 1 381 . 1 1 35 35 LEU HD21 H 1 1.060 0.02 . . . . . . 35 LEU MD2 . 16617 1 382 . 1 1 35 35 LEU HD22 H 1 1.060 0.02 . . . . . . 35 LEU MD2 . 16617 1 383 . 1 1 35 35 LEU HD23 H 1 1.060 0.02 . . . . . . 35 LEU MD2 . 16617 1 384 . 1 1 35 35 LEU HG H 1 1.788 0.02 . . . . . . 35 LEU HG . 16617 1 385 . 1 1 35 35 LEU C C 13 177.010 0.3 . . . . . . 35 LEU C . 16617 1 386 . 1 1 35 35 LEU CA C 13 56.920 0.3 . . . . . . 35 LEU CA . 16617 1 387 . 1 1 35 35 LEU CB C 13 43.130 0.3 . . . . . . 35 LEU CB . 16617 1 388 . 1 1 35 35 LEU CD1 C 13 26.080 0.3 . . . . . . 35 LEU CD1 . 16617 1 389 . 1 1 35 35 LEU CD2 C 13 24.900 0.3 . . . . . . 35 LEU CD2 . 16617 1 390 . 1 1 35 35 LEU CG C 13 27.190 0.3 . . . . . . 35 LEU CG . 16617 1 391 . 1 1 35 35 LEU N N 15 120.477 0.2 . . . . . . 35 LEU N . 16617 1 392 . 1 1 36 36 SER H H 1 7.751 0.02 . . . . . . 36 SER H . 16617 1 393 . 1 1 36 36 SER HA H 1 4.027 0.02 . . . . . . 36 SER HA . 16617 1 394 . 1 1 36 36 SER HB2 H 1 3.927 0.02 . . . . . . 36 SER HB2 . 16617 1 395 . 1 1 36 36 SER HB3 H 1 3.927 0.02 . . . . . . 36 SER HB3 . 16617 1 396 . 1 1 36 36 SER C C 13 174.300 0.3 . . . . . . 36 SER C . 16617 1 397 . 1 1 36 36 SER CA C 13 60.880 0.3 . . . . . . 36 SER CA . 16617 1 398 . 1 1 36 36 SER CB C 13 63.080 0.3 . . . . . . 36 SER CB . 16617 1 399 . 1 1 36 36 SER N N 15 109.974 0.2 . . . . . . 36 SER N . 16617 1 400 . 1 1 37 37 SER H H 1 7.273 0.02 . . . . . . 37 SER H . 16617 1 401 . 1 1 37 37 SER HA H 1 4.621 0.02 . . . . . . 37 SER HA . 16617 1 402 . 1 1 37 37 SER HB2 H 1 4.057 0.02 . . . . . . 37 SER HB2 . 16617 1 403 . 1 1 37 37 SER HB3 H 1 3.838 0.02 . . . . . . 37 SER HB3 . 16617 1 404 . 1 1 37 37 SER C C 13 174.800 0.3 . . . . . . 37 SER C . 16617 1 405 . 1 1 37 37 SER CA C 13 57.390 0.3 . . . . . . 37 SER CA . 16617 1 406 . 1 1 37 37 SER CB C 13 63.760 0.3 . . . . . . 37 SER CB . 16617 1 407 . 1 1 37 37 SER N N 15 112.837 0.2 . . . . . . 37 SER N . 16617 1 408 . 1 1 38 38 LYS H H 1 7.267 0.02 . . . . . . 38 LYS H . 16617 1 409 . 1 1 38 38 LYS HA H 1 4.607 0.02 . . . . . . 38 LYS HA . 16617 1 410 . 1 1 38 38 LYS HB2 H 1 2.168 0.02 . . . . . . 38 LYS HB2 . 16617 1 411 . 1 1 38 38 LYS HB3 H 1 2.022 0.02 . . . . . . 38 LYS HB3 . 16617 1 412 . 1 1 38 38 LYS HD2 H 1 1.647 0.02 . . . . . . 38 LYS HD2 . 16617 1 413 . 1 1 38 38 LYS HD3 H 1 1.647 0.02 . . . . . . 38 LYS HD3 . 16617 1 414 . 1 1 38 38 LYS HE2 H 1 2.870 0.02 . . . . . . 38 LYS HE2 . 16617 1 415 . 1 1 38 38 LYS HE3 H 1 3.090 0.02 . . . . . . 38 LYS HE3 . 16617 1 416 . 1 1 38 38 LYS HG2 H 1 1.170 0.02 . . . . . . 38 LYS HG2 . 16617 1 417 . 1 1 38 38 LYS HG3 H 1 1.996 0.02 . . . . . . 38 LYS HG3 . 16617 1 418 . 1 1 38 38 LYS C C 13 175.700 0.3 . . . . . . 38 LYS C . 16617 1 419 . 1 1 38 38 LYS CA C 13 53.550 0.3 . . . . . . 38 LYS CA . 16617 1 420 . 1 1 38 38 LYS CB C 13 31.480 0.3 . . . . . . 38 LYS CB . 16617 1 421 . 1 1 38 38 LYS CD C 13 26.970 0.3 . . . . . . 38 LYS CD . 16617 1 422 . 1 1 38 38 LYS CE C 13 42.540 0.3 . . . . . . 38 LYS CE . 16617 1 423 . 1 1 38 38 LYS CG C 13 24.780 0.3 . . . . . . 38 LYS CG . 16617 1 424 . 1 1 38 38 LYS N N 15 120.732 0.2 . . . . . . 38 LYS N . 16617 1 425 . 1 1 39 39 THR H H 1 8.539 0.02 . . . . . . 39 THR H . 16617 1 426 . 1 1 39 39 THR HA H 1 4.609 0.02 . . . . . . 39 THR HA . 16617 1 427 . 1 1 39 39 THR HB H 1 4.740 0.02 . . . . . . 39 THR HB . 16617 1 428 . 1 1 39 39 THR HG21 H 1 1.364 0.02 . . . . . . 39 THR MG . 16617 1 429 . 1 1 39 39 THR HG22 H 1 1.364 0.02 . . . . . . 39 THR MG . 16617 1 430 . 1 1 39 39 THR HG23 H 1 1.364 0.02 . . . . . . 39 THR MG . 16617 1 431 . 1 1 39 39 THR C C 13 174.200 0.3 . . . . . . 39 THR C . 16617 1 432 . 1 1 39 39 THR CA C 13 60.300 0.3 . . . . . . 39 THR CA . 16617 1 433 . 1 1 39 39 THR CB C 13 68.300 0.3 . . . . . . 39 THR CB . 16617 1 434 . 1 1 39 39 THR CG2 C 13 22.010 0.3 . . . . . . 39 THR CG2 . 16617 1 435 . 1 1 39 39 THR N N 15 110.259 0.2 . . . . . . 39 THR N . 16617 1 436 . 1 1 40 40 PRO HA H 1 4.267 0.02 . . . . . . 40 PRO HA . 16617 1 437 . 1 1 40 40 PRO HB2 H 1 2.371 0.02 . . . . . . 40 PRO HB2 . 16617 1 438 . 1 1 40 40 PRO HB3 H 1 2.371 0.02 . . . . . . 40 PRO HB3 . 16617 1 439 . 1 1 40 40 PRO HD2 H 1 3.899 0.02 . . . . . . 40 PRO HD2 . 16617 1 440 . 1 1 40 40 PRO HD3 H 1 3.944 0.02 . . . . . . 40 PRO HD3 . 16617 1 441 . 1 1 40 40 PRO HG2 H 1 2.209 0.02 . . . . . . 40 PRO HG2 . 16617 1 442 . 1 1 40 40 PRO HG3 H 1 1.953 0.02 . . . . . . 40 PRO HG3 . 16617 1 443 . 1 1 40 40 PRO C C 13 175.600 0.3 . . . . . . 40 PRO C . 16617 1 444 . 1 1 40 40 PRO CA C 13 66.240 0.3 . . . . . . 40 PRO CA . 16617 1 445 . 1 1 40 40 PRO CB C 13 31.780 0.3 . . . . . . 40 PRO CB . 16617 1 446 . 1 1 40 40 PRO CD C 13 50.340 0.3 . . . . . . 40 PRO CD . 16617 1 447 . 1 1 40 40 PRO CG C 13 28.300 0.3 . . . . . . 40 PRO CG . 16617 1 448 . 1 1 41 41 ASP H H 1 8.380 0.02 . . . . . . 41 ASP H . 16617 1 449 . 1 1 41 41 ASP HA H 1 4.340 0.02 . . . . . . 41 ASP HA . 16617 1 450 . 1 1 41 41 ASP HB2 H 1 2.568 0.02 . . . . . . 41 ASP HB2 . 16617 1 451 . 1 1 41 41 ASP HB3 H 1 2.568 0.02 . . . . . . 41 ASP HB3 . 16617 1 452 . 1 1 41 41 ASP C C 13 179.010 0.3 . . . . . . 41 ASP C . 16617 1 453 . 1 1 41 41 ASP CA C 13 57.500 0.3 . . . . . . 41 ASP CA . 16617 1 454 . 1 1 41 41 ASP CB C 13 40.700 0.3 . . . . . . 41 ASP CB . 16617 1 455 . 1 1 41 41 ASP N N 15 115.600 0.2 . . . . . . 41 ASP N . 16617 1 456 . 1 1 42 42 GLN H H 1 7.770 0.02 . . . . . . 42 GLN H . 16617 1 457 . 1 1 42 42 GLN HA H 1 3.993 0.02 . . . . . . 42 GLN HA . 16617 1 458 . 1 1 42 42 GLN HB2 H 1 2.627 0.02 . . . . . . 42 GLN HB2 . 16617 1 459 . 1 1 42 42 GLN HB3 H 1 1.740 0.02 . . . . . . 42 GLN HB3 . 16617 1 460 . 1 1 42 42 GLN HE21 H 1 6.960 0.02 . . . . . . 42 GLN HE21 . 16617 1 461 . 1 1 42 42 GLN HE22 H 1 7.700 0.02 . . . . . . 42 GLN HE22 . 16617 1 462 . 1 1 42 42 GLN HG2 H 1 2.603 0.02 . . . . . . 42 GLN HG2 . 16617 1 463 . 1 1 42 42 GLN HG3 H 1 2.358 0.02 . . . . . . 42 GLN HG3 . 16617 1 464 . 1 1 42 42 GLN C C 13 178.500 0.3 . . . . . . 42 GLN C . 16617 1 465 . 1 1 42 42 GLN CA C 13 59.140 0.3 . . . . . . 42 GLN CA . 16617 1 466 . 1 1 42 42 GLN CB C 13 29.400 0.3 . . . . . . 42 GLN CB . 16617 1 467 . 1 1 42 42 GLN CG C 13 35.050 0.3 . . . . . . 42 GLN CG . 16617 1 468 . 1 1 42 42 GLN N N 15 120.100 0.2 . . . . . . 42 GLN N . 16617 1 469 . 1 1 42 42 GLN NE2 N 15 112.300 0.2 . . . . . . 42 GLN NE2 . 16617 1 470 . 1 1 43 43 ILE H H 1 8.600 0.02 . . . . . . 43 ILE H . 16617 1 471 . 1 1 43 43 ILE HA H 1 3.544 0.02 . . . . . . 43 ILE HA . 16617 1 472 . 1 1 43 43 ILE HB H 1 2.008 0.02 . . . . . . 43 ILE HB . 16617 1 473 . 1 1 43 43 ILE HD11 H 1 0.695 0.02 . . . . . . 43 ILE MD . 16617 1 474 . 1 1 43 43 ILE HD12 H 1 0.695 0.02 . . . . . . 43 ILE MD . 16617 1 475 . 1 1 43 43 ILE HD13 H 1 0.695 0.02 . . . . . . 43 ILE MD . 16617 1 476 . 1 1 43 43 ILE HG12 H 1 1.710 0.02 . . . . . . 43 ILE HG12 . 16617 1 477 . 1 1 43 43 ILE HG13 H 1 0.799 0.02 . . . . . . 43 ILE HG13 . 16617 1 478 . 1 1 43 43 ILE HG21 H 1 0.914 0.02 . . . . . . 43 ILE MG . 16617 1 479 . 1 1 43 43 ILE HG22 H 1 0.914 0.02 . . . . . . 43 ILE MG . 16617 1 480 . 1 1 43 43 ILE HG23 H 1 0.914 0.02 . . . . . . 43 ILE MG . 16617 1 481 . 1 1 43 43 ILE C C 13 178.200 0.3 . . . . . . 43 ILE C . 16617 1 482 . 1 1 43 43 ILE CA C 13 66.050 0.3 . . . . . . 43 ILE CA . 16617 1 483 . 1 1 43 43 ILE CB C 13 37.300 0.3 . . . . . . 43 ILE CB . 16617 1 484 . 1 1 43 43 ILE CD1 C 13 13.750 0.3 . . . . . . 43 ILE CD1 . 16617 1 485 . 1 1 43 43 ILE CG1 C 13 30.083 0.3 . . . . . . 43 ILE CG1 . 16617 1 486 . 1 1 43 43 ILE CG2 C 13 18.750 0.3 . . . . . . 43 ILE CG2 . 16617 1 487 . 1 1 43 43 ILE N N 15 120.700 0.2 . . . . . . 43 ILE N . 16617 1 488 . 1 1 44 44 LYS H H 1 8.430 0.02 . . . . . . 44 LYS H . 16617 1 489 . 1 1 44 44 LYS HA H 1 3.925 0.02 . . . . . . 44 LYS HA . 16617 1 490 . 1 1 44 44 LYS HB2 H 1 1.930 0.02 . . . . . . 44 LYS HB2 . 16617 1 491 . 1 1 44 44 LYS HB3 H 1 1.930 0.02 . . . . . . 44 LYS HB3 . 16617 1 492 . 1 1 44 44 LYS HD2 H 1 1.626 0.02 . . . . . . 44 LYS HD2 . 16617 1 493 . 1 1 44 44 LYS HD3 H 1 1.639 0.02 . . . . . . 44 LYS HD3 . 16617 1 494 . 1 1 44 44 LYS HE2 H 1 2.846 0.02 . . . . . . 44 LYS HE2 . 16617 1 495 . 1 1 44 44 LYS HE3 H 1 2.846 0.02 . . . . . . 44 LYS HE3 . 16617 1 496 . 1 1 44 44 LYS HG2 H 1 1.293 0.02 . . . . . . 44 LYS HG2 . 16617 1 497 . 1 1 44 44 LYS HG3 H 1 1.502 0.02 . . . . . . 44 LYS HG3 . 16617 1 498 . 1 1 44 44 LYS C C 13 179.500 0.3 . . . . . . 44 LYS C . 16617 1 499 . 1 1 44 44 LYS CA C 13 60.200 0.3 . . . . . . 44 LYS CA . 16617 1 500 . 1 1 44 44 LYS CB C 13 32.100 0.3 . . . . . . 44 LYS CB . 16617 1 501 . 1 1 44 44 LYS CD C 13 29.400 0.3 . . . . . . 44 LYS CD . 16617 1 502 . 1 1 44 44 LYS CE C 13 42.000 0.3 . . . . . . 44 LYS CE . 16617 1 503 . 1 1 44 44 LYS CG C 13 25.910 0.3 . . . . . . 44 LYS CG . 16617 1 504 . 1 1 44 44 LYS N N 15 120.400 0.2 . . . . . . 44 LYS N . 16617 1 505 . 1 1 45 45 LYS H H 1 7.710 0.02 . . . . . . 45 LYS H . 16617 1 506 . 1 1 45 45 LYS HA H 1 4.078 0.02 . . . . . . 45 LYS HA . 16617 1 507 . 1 1 45 45 LYS HB2 H 1 2.083 0.02 . . . . . . 45 LYS HB2 . 16617 1 508 . 1 1 45 45 LYS HB3 H 1 1.845 0.02 . . . . . . 45 LYS HB3 . 16617 1 509 . 1 1 45 45 LYS HD2 H 1 1.654 0.02 . . . . . . 45 LYS HD2 . 16617 1 510 . 1 1 45 45 LYS HD3 H 1 1.654 0.02 . . . . . . 45 LYS HD3 . 16617 1 511 . 1 1 45 45 LYS HE2 H 1 2.930 0.02 . . . . . . 45 LYS HE2 . 16617 1 512 . 1 1 45 45 LYS HE3 H 1 2.930 0.02 . . . . . . 45 LYS HE3 . 16617 1 513 . 1 1 45 45 LYS HG2 H 1 1.647 0.02 . . . . . . 45 LYS HG2 . 16617 1 514 . 1 1 45 45 LYS HG3 H 1 1.417 0.02 . . . . . . 45 LYS HG3 . 16617 1 515 . 1 1 45 45 LYS C C 13 179.900 0.3 . . . . . . 45 LYS C . 16617 1 516 . 1 1 45 45 LYS CA C 13 59.500 0.3 . . . . . . 45 LYS CA . 16617 1 517 . 1 1 45 45 LYS CB C 13 32.200 0.3 . . . . . . 45 LYS CB . 16617 1 518 . 1 1 45 45 LYS CD C 13 29.200 0.3 . . . . . . 45 LYS CD . 16617 1 519 . 1 1 45 45 LYS CE C 13 42.290 0.3 . . . . . . 45 LYS CE . 16617 1 520 . 1 1 45 45 LYS CG C 13 25.660 0.3 . . . . . . 45 LYS CG . 16617 1 521 . 1 1 45 45 LYS N N 15 121.200 0.2 . . . . . . 45 LYS N . 16617 1 522 . 1 1 46 46 VAL H H 1 7.920 0.02 . . . . . . 46 VAL H . 16617 1 523 . 1 1 46 46 VAL HA H 1 3.457 0.02 . . . . . . 46 VAL HA . 16617 1 524 . 1 1 46 46 VAL HB H 1 2.514 0.02 . . . . . . 46 VAL HB . 16617 1 525 . 1 1 46 46 VAL HG11 H 1 1.114 0.02 . . . . . . 46 VAL MG1 . 16617 1 526 . 1 1 46 46 VAL HG12 H 1 1.114 0.02 . . . . . . 46 VAL MG1 . 16617 1 527 . 1 1 46 46 VAL HG13 H 1 1.114 0.02 . . . . . . 46 VAL MG1 . 16617 1 528 . 1 1 46 46 VAL HG21 H 1 1.021 0.02 . . . . . . 46 VAL MG2 . 16617 1 529 . 1 1 46 46 VAL HG22 H 1 1.021 0.02 . . . . . . 46 VAL MG2 . 16617 1 530 . 1 1 46 46 VAL HG23 H 1 1.021 0.02 . . . . . . 46 VAL MG2 . 16617 1 531 . 1 1 46 46 VAL C C 13 177.100 0.3 . . . . . . 46 VAL C . 16617 1 532 . 1 1 46 46 VAL CA C 13 67.250 0.3 . . . . . . 46 VAL CA . 16617 1 533 . 1 1 46 46 VAL CB C 13 31.020 0.3 . . . . . . 46 VAL CB . 16617 1 534 . 1 1 46 46 VAL CG1 C 13 23.750 0.3 . . . . . . 46 VAL CG1 . 16617 1 535 . 1 1 46 46 VAL CG2 C 13 20.920 0.3 . . . . . . 46 VAL CG2 . 16617 1 536 . 1 1 46 46 VAL N N 15 120.000 0.2 . . . . . . 46 VAL N . 16617 1 537 . 1 1 47 47 PHE H H 1 8.700 0.02 . . . . . . 47 PHE H . 16617 1 538 . 1 1 47 47 PHE HA H 1 3.130 0.02 . . . . . . 47 PHE HA . 16617 1 539 . 1 1 47 47 PHE HB2 H 1 2.830 0.02 . . . . . . 47 PHE HB2 . 16617 1 540 . 1 1 47 47 PHE HB3 H 1 3.260 0.02 . . . . . . 47 PHE HB3 . 16617 1 541 . 1 1 47 47 PHE HD1 H 1 6.549 0.02 . . . . . . 47 PHE HD1 . 16617 1 542 . 1 1 47 47 PHE HD2 H 1 6.549 0.02 . . . . . . 47 PHE HD2 . 16617 1 543 . 1 1 47 47 PHE HE1 H 1 6.853 0.02 . . . . . . 47 PHE HE1 . 16617 1 544 . 1 1 47 47 PHE HE2 H 1 6.853 0.02 . . . . . . 47 PHE HE2 . 16617 1 545 . 1 1 47 47 PHE C C 13 177.500 0.3 . . . . . . 47 PHE C . 16617 1 546 . 1 1 47 47 PHE CA C 13 62.680 0.3 . . . . . . 47 PHE CA . 16617 1 547 . 1 1 47 47 PHE CB C 13 38.710 0.3 . . . . . . 47 PHE CB . 16617 1 548 . 1 1 47 47 PHE N N 15 121.200 0.2 . . . . . . 47 PHE N . 16617 1 549 . 1 1 48 48 GLY H H 1 7.807 0.02 . . . . . . 48 GLY H . 16617 1 550 . 1 1 48 48 GLY HA2 H 1 3.759 0.02 . . . . . . 48 GLY HA2 . 16617 1 551 . 1 1 48 48 GLY HA3 H 1 3.759 0.02 . . . . . . 48 GLY HA3 . 16617 1 552 . 1 1 48 48 GLY C C 13 174.800 0.3 . . . . . . 48 GLY C . 16617 1 553 . 1 1 48 48 GLY CA C 13 46.740 0.3 . . . . . . 48 GLY CA . 16617 1 554 . 1 1 48 48 GLY N N 15 101.500 0.2 . . . . . . 48 GLY N . 16617 1 555 . 1 1 49 49 ILE H H 1 7.164 0.02 . . . . . . 49 ILE H . 16617 1 556 . 1 1 49 49 ILE HA H 1 3.537 0.02 . . . . . . 49 ILE HA . 16617 1 557 . 1 1 49 49 ILE HB H 1 1.784 0.02 . . . . . . 49 ILE HB . 16617 1 558 . 1 1 49 49 ILE HD11 H 1 0.661 0.02 . . . . . . 49 ILE MD . 16617 1 559 . 1 1 49 49 ILE HD12 H 1 0.661 0.02 . . . . . . 49 ILE MD . 16617 1 560 . 1 1 49 49 ILE HD13 H 1 0.661 0.02 . . . . . . 49 ILE MD . 16617 1 561 . 1 1 49 49 ILE HG12 H 1 1.688 0.02 . . . . . . 49 ILE HG12 . 16617 1 562 . 1 1 49 49 ILE HG13 H 1 0.947 0.02 . . . . . . 49 ILE HG13 . 16617 1 563 . 1 1 49 49 ILE HG21 H 1 0.691 0.02 . . . . . . 49 ILE MG . 16617 1 564 . 1 1 49 49 ILE HG22 H 1 0.691 0.02 . . . . . . 49 ILE MG . 16617 1 565 . 1 1 49 49 ILE HG23 H 1 0.691 0.02 . . . . . . 49 ILE MG . 16617 1 566 . 1 1 49 49 ILE C C 13 176.600 0.3 . . . . . . 49 ILE C . 16617 1 567 . 1 1 49 49 ILE CA C 13 63.770 0.3 . . . . . . 49 ILE CA . 16617 1 568 . 1 1 49 49 ILE CB C 13 38.430 0.3 . . . . . . 49 ILE CB . 16617 1 569 . 1 1 49 49 ILE CD1 C 13 13.580 0.3 . . . . . . 49 ILE CD1 . 16617 1 570 . 1 1 49 49 ILE CG1 C 13 28.640 0.3 . . . . . . 49 ILE CG1 . 16617 1 571 . 1 1 49 49 ILE CG2 C 13 17.010 0.3 . . . . . . 49 ILE CG2 . 16617 1 572 . 1 1 49 49 ILE N N 15 119.916 0.2 . . . . . . 49 ILE N . 16617 1 573 . 1 1 50 50 LEU H H 1 7.130 0.02 . . . . . . 50 LEU H . 16617 1 574 . 1 1 50 50 LEU HA H 1 3.637 0.02 . . . . . . 50 LEU HA . 16617 1 575 . 1 1 50 50 LEU HB2 H 1 1.323 0.02 . . . . . . 50 LEU HB2 . 16617 1 576 . 1 1 50 50 LEU HB3 H 1 1.049 0.02 . . . . . . 50 LEU HB3 . 16617 1 577 . 1 1 50 50 LEU HD11 H 1 0.648 0.02 . . . . . . 50 LEU MD1 . 16617 1 578 . 1 1 50 50 LEU HD12 H 1 0.648 0.02 . . . . . . 50 LEU MD1 . 16617 1 579 . 1 1 50 50 LEU HD13 H 1 0.648 0.02 . . . . . . 50 LEU MD1 . 16617 1 580 . 1 1 50 50 LEU HD21 H 1 0.539 0.02 . . . . . . 50 LEU MD2 . 16617 1 581 . 1 1 50 50 LEU HD22 H 1 0.539 0.02 . . . . . . 50 LEU MD2 . 16617 1 582 . 1 1 50 50 LEU HD23 H 1 0.539 0.02 . . . . . . 50 LEU MD2 . 16617 1 583 . 1 1 50 50 LEU HG H 1 1.795 0.02 . . . . . . 50 LEU HG . 16617 1 584 . 1 1 50 50 LEU C C 13 177.600 0.3 . . . . . . 50 LEU C . 16617 1 585 . 1 1 50 50 LEU CA C 13 56.400 0.3 . . . . . . 50 LEU CA . 16617 1 586 . 1 1 50 50 LEU CB C 13 41.280 0.3 . . . . . . 50 LEU CB . 16617 1 587 . 1 1 50 50 LEU CD1 C 13 26.620 0.3 . . . . . . 50 LEU CD1 . 16617 1 588 . 1 1 50 50 LEU CD2 C 13 23.270 0.3 . . . . . . 50 LEU CD2 . 16617 1 589 . 1 1 50 50 LEU CG C 13 26.500 0.3 . . . . . . 50 LEU CG . 16617 1 590 . 1 1 50 50 LEU N N 15 117.667 0.2 . . . . . . 50 LEU N . 16617 1 591 . 1 1 51 51 ASP H H 1 7.284 0.02 . . . . . . 51 ASP H . 16617 1 592 . 1 1 51 51 ASP HA H 1 4.217 0.02 . . . . . . 51 ASP HA . 16617 1 593 . 1 1 51 51 ASP HB2 H 1 2.409 0.02 . . . . . . 51 ASP HB2 . 16617 1 594 . 1 1 51 51 ASP HB3 H 1 2.409 0.02 . . . . . . 51 ASP HB3 . 16617 1 595 . 1 1 51 51 ASP C C 13 176.900 0.3 . . . . . . 51 ASP C . 16617 1 596 . 1 1 51 51 ASP CA C 13 52.140 0.3 . . . . . . 51 ASP CA . 16617 1 597 . 1 1 51 51 ASP CB C 13 38.680 0.3 . . . . . . 51 ASP CB . 16617 1 598 . 1 1 51 51 ASP N N 15 117.036 0.2 . . . . . . 51 ASP N . 16617 1 599 . 1 1 52 52 GLN H H 1 7.666 0.02 . . . . . . 52 GLN H . 16617 1 600 . 1 1 52 52 GLN HA H 1 3.810 0.02 . . . . . . 52 GLN HA . 16617 1 601 . 1 1 52 52 GLN HB2 H 1 2.020 0.02 . . . . . . 52 GLN HB2 . 16617 1 602 . 1 1 52 52 GLN HB3 H 1 2.070 0.02 . . . . . . 52 GLN HB3 . 16617 1 603 . 1 1 52 52 GLN HG2 H 1 2.382 0.02 . . . . . . 52 GLN HG2 . 16617 1 604 . 1 1 52 52 GLN HG3 H 1 2.487 0.02 . . . . . . 52 GLN HG3 . 16617 1 605 . 1 1 52 52 GLN C C 13 177.700 0.3 . . . . . . 52 GLN C . 16617 1 606 . 1 1 52 52 GLN CA C 13 58.860 0.3 . . . . . . 52 GLN CA . 16617 1 607 . 1 1 52 52 GLN CB C 13 28.700 0.3 . . . . . . 52 GLN CB . 16617 1 608 . 1 1 52 52 GLN CG C 13 33.950 0.3 . . . . . . 52 GLN CG . 16617 1 609 . 1 1 52 52 GLN N N 15 125.059 0.2 . . . . . . 52 GLN N . 16617 1 610 . 1 1 53 53 ASP H H 1 8.601 0.02 . . . . . . 53 ASP H . 16617 1 611 . 1 1 53 53 ASP HA H 1 4.493 0.02 . . . . . . 53 ASP HA . 16617 1 612 . 1 1 53 53 ASP HB2 H 1 2.972 0.02 . . . . . . 53 ASP HB2 . 16617 1 613 . 1 1 53 53 ASP HB3 H 1 2.637 0.02 . . . . . . 53 ASP HB3 . 16617 1 614 . 1 1 53 53 ASP C C 13 175.900 0.3 . . . . . . 53 ASP C . 16617 1 615 . 1 1 53 53 ASP CA C 13 52.600 0.3 . . . . . . 53 ASP CA . 16617 1 616 . 1 1 53 53 ASP CB C 13 38.760 0.3 . . . . . . 53 ASP CB . 16617 1 617 . 1 1 53 53 ASP N N 15 115.929 0.2 . . . . . . 53 ASP N . 16617 1 618 . 1 1 54 54 LYS H H 1 7.799 0.02 . . . . . . 54 LYS H . 16617 1 619 . 1 1 54 54 LYS HA H 1 3.941 0.02 . . . . . . 54 LYS HA . 16617 1 620 . 1 1 54 54 LYS HB2 H 1 1.964 0.02 . . . . . . 54 LYS HB2 . 16617 1 621 . 1 1 54 54 LYS HB3 H 1 1.817 0.02 . . . . . . 54 LYS HB3 . 16617 1 622 . 1 1 54 54 LYS HD2 H 1 1.562 0.02 . . . . . . 54 LYS HD2 . 16617 1 623 . 1 1 54 54 LYS HD3 H 1 1.687 0.02 . . . . . . 54 LYS HD3 . 16617 1 624 . 1 1 54 54 LYS HE2 H 1 2.985 0.02 . . . . . . 54 LYS HE2 . 16617 1 625 . 1 1 54 54 LYS HE3 H 1 2.985 0.02 . . . . . . 54 LYS HE3 . 16617 1 626 . 1 1 54 54 LYS HG2 H 1 1.273 0.02 . . . . . . 54 LYS HG2 . 16617 1 627 . 1 1 54 54 LYS HG3 H 1 1.342 0.02 . . . . . . 54 LYS HG3 . 16617 1 628 . 1 1 54 54 LYS C C 13 176.800 0.3 . . . . . . 54 LYS C . 16617 1 629 . 1 1 54 54 LYS CA C 13 56.300 0.3 . . . . . . 54 LYS CA . 16617 1 630 . 1 1 54 54 LYS CB C 13 28.350 0.3 . . . . . . 54 LYS CB . 16617 1 631 . 1 1 54 54 LYS CD C 13 28.200 0.3 . . . . . . 54 LYS CD . 16617 1 632 . 1 1 54 54 LYS CE C 13 42.560 0.3 . . . . . . 54 LYS CE . 16617 1 633 . 1 1 54 54 LYS CG C 13 24.450 0.3 . . . . . . 54 LYS CG . 16617 1 634 . 1 1 54 54 LYS N N 15 117.457 0.2 . . . . . . 54 LYS N . 16617 1 635 . 1 1 55 55 SER H H 1 9.236 0.02 . . . . . . 55 SER H . 16617 1 636 . 1 1 55 55 SER HA H 1 4.327 0.02 . . . . . . 55 SER HA . 16617 1 637 . 1 1 55 55 SER HB2 H 1 4.082 0.02 . . . . . . 55 SER HB2 . 16617 1 638 . 1 1 55 55 SER HB3 H 1 3.807 0.02 . . . . . . 55 SER HB3 . 16617 1 639 . 1 1 55 55 SER C C 13 176.400 0.3 . . . . . . 55 SER C . 16617 1 640 . 1 1 55 55 SER CA C 13 59.050 0.3 . . . . . . 55 SER CA . 16617 1 641 . 1 1 55 55 SER CB C 13 64.500 0.3 . . . . . . 55 SER CB . 16617 1 642 . 1 1 55 55 SER N N 15 118.163 0.2 . . . . . . 55 SER N . 16617 1 643 . 1 1 56 56 GLY H H 1 10.882 0.02 . . . . . . 56 GLY H . 16617 1 644 . 1 1 56 56 GLY HA2 H 1 4.053 0.02 . . . . . . 56 GLY HA2 . 16617 1 645 . 1 1 56 56 GLY HA3 H 1 3.344 0.02 . . . . . . 56 GLY HA3 . 16617 1 646 . 1 1 56 56 GLY C C 13 171.800 0.3 . . . . . . 56 GLY C . 16617 1 647 . 1 1 56 56 GLY CA C 13 44.670 0.3 . . . . . . 56 GLY CA . 16617 1 648 . 1 1 56 56 GLY N N 15 116.117 0.2 . . . . . . 56 GLY N . 16617 1 649 . 1 1 57 57 PHE H H 1 7.916 0.02 . . . . . . 57 PHE H . 16617 1 650 . 1 1 57 57 PHE HA H 1 5.258 0.02 . . . . . . 57 PHE HA . 16617 1 651 . 1 1 57 57 PHE HB2 H 1 2.627 0.02 . . . . . . 57 PHE HB2 . 16617 1 652 . 1 1 57 57 PHE HB3 H 1 2.627 0.02 . . . . . . 57 PHE HB3 . 16617 1 653 . 1 1 57 57 PHE HD1 H 1 6.945 0.02 . . . . . . 57 PHE HD1 . 16617 1 654 . 1 1 57 57 PHE HD2 H 1 6.945 0.02 . . . . . . 57 PHE HD2 . 16617 1 655 . 1 1 57 57 PHE HE1 H 1 7.384 0.02 . . . . . . 57 PHE HE1 . 16617 1 656 . 1 1 57 57 PHE HE2 H 1 7.384 0.02 . . . . . . 57 PHE HE2 . 16617 1 657 . 1 1 57 57 PHE C C 13 173.500 0.3 . . . . . . 57 PHE C . 16617 1 658 . 1 1 57 57 PHE CA C 13 56.150 0.3 . . . . . . 57 PHE CA . 16617 1 659 . 1 1 57 57 PHE CB C 13 43.770 0.3 . . . . . . 57 PHE CB . 16617 1 660 . 1 1 57 57 PHE N N 15 115.699 0.2 . . . . . . 57 PHE N . 16617 1 661 . 1 1 58 58 ILE H H 1 9.242 0.02 . . . . . . 58 ILE H . 16617 1 662 . 1 1 58 58 ILE HA H 1 4.346 0.02 . . . . . . 58 ILE HA . 16617 1 663 . 1 1 58 58 ILE HB H 1 1.614 0.02 . . . . . . 58 ILE HB . 16617 1 664 . 1 1 58 58 ILE HD11 H 1 0.261 0.02 . . . . . . 58 ILE MD . 16617 1 665 . 1 1 58 58 ILE HD12 H 1 0.261 0.02 . . . . . . 58 ILE MD . 16617 1 666 . 1 1 58 58 ILE HD13 H 1 0.261 0.02 . . . . . . 58 ILE MD . 16617 1 667 . 1 1 58 58 ILE HG12 H 1 1.159 0.02 . . . . . . 58 ILE HG12 . 16617 1 668 . 1 1 58 58 ILE HG13 H 1 0.366 0.02 . . . . . . 58 ILE HG13 . 16617 1 669 . 1 1 58 58 ILE HG21 H 1 0.688 0.02 . . . . . . 58 ILE MG . 16617 1 670 . 1 1 58 58 ILE HG22 H 1 0.688 0.02 . . . . . . 58 ILE MG . 16617 1 671 . 1 1 58 58 ILE HG23 H 1 0.688 0.02 . . . . . . 58 ILE MG . 16617 1 672 . 1 1 58 58 ILE C C 13 176.100 0.3 . . . . . . 58 ILE C . 16617 1 673 . 1 1 58 58 ILE CA C 13 60.630 0.3 . . . . . . 58 ILE CA . 16617 1 674 . 1 1 58 58 ILE CB C 13 38.790 0.3 . . . . . . 58 ILE CB . 16617 1 675 . 1 1 58 58 ILE CD1 C 13 14.390 0.3 . . . . . . 58 ILE CD1 . 16617 1 676 . 1 1 58 58 ILE CG1 C 13 25.990 0.3 . . . . . . 58 ILE CG1 . 16617 1 677 . 1 1 58 58 ILE CG2 C 13 18.082 0.3 . . . . . . 58 ILE CG2 . 16617 1 678 . 1 1 58 58 ILE N N 15 120.193 0.2 . . . . . . 58 ILE N . 16617 1 679 . 1 1 59 59 GLU H H 1 8.681 0.02 . . . . . . 59 GLU H . 16617 1 680 . 1 1 59 59 GLU HA H 1 4.584 0.02 . . . . . . 59 GLU HA . 16617 1 681 . 1 1 59 59 GLU HB2 H 1 2.410 0.02 . . . . . . 59 GLU HB2 . 16617 1 682 . 1 1 59 59 GLU HB3 H 1 1.890 0.02 . . . . . . 59 GLU HB3 . 16617 1 683 . 1 1 59 59 GLU HG2 H 1 2.240 0.02 . . . . . . 59 GLU HG2 . 16617 1 684 . 1 1 59 59 GLU HG3 H 1 2.370 0.02 . . . . . . 59 GLU HG3 . 16617 1 685 . 1 1 59 59 GLU C C 13 177.400 0.3 . . . . . . 59 GLU C . 16617 1 686 . 1 1 59 59 GLU CA C 13 55.160 0.3 . . . . . . 59 GLU CA . 16617 1 687 . 1 1 59 59 GLU CB C 13 30.890 0.3 . . . . . . 59 GLU CB . 16617 1 688 . 1 1 59 59 GLU CG C 13 36.400 0.3 . . . . . . 59 GLU CG . 16617 1 689 . 1 1 59 59 GLU N N 15 125.766 0.2 . . . . . . 59 GLU N . 16617 1 690 . 1 1 60 60 GLU H H 1 9.385 0.02 . . . . . . 60 GLU H . 16617 1 691 . 1 1 60 60 GLU HA H 1 3.566 0.02 . . . . . . 60 GLU HA . 16617 1 692 . 1 1 60 60 GLU HB2 H 1 1.986 0.02 . . . . . . 60 GLU HB2 . 16617 1 693 . 1 1 60 60 GLU HB3 H 1 2.071 0.02 . . . . . . 60 GLU HB3 . 16617 1 694 . 1 1 60 60 GLU HG2 H 1 2.147 0.02 . . . . . . 60 GLU HG2 . 16617 1 695 . 1 1 60 60 GLU HG3 H 1 2.051 0.02 . . . . . . 60 GLU HG3 . 16617 1 696 . 1 1 60 60 GLU C C 13 177.900 0.3 . . . . . . 60 GLU C . 16617 1 697 . 1 1 60 60 GLU CA C 13 61.590 0.3 . . . . . . 60 GLU CA . 16617 1 698 . 1 1 60 60 GLU CB C 13 29.510 0.3 . . . . . . 60 GLU CB . 16617 1 699 . 1 1 60 60 GLU CG C 13 36.250 0.3 . . . . . . 60 GLU CG . 16617 1 700 . 1 1 60 60 GLU N N 15 123.309 0.2 . . . . . . 60 GLU N . 16617 1 701 . 1 1 61 61 GLU H H 1 9.085 0.02 . . . . . . 61 GLU H . 16617 1 702 . 1 1 61 61 GLU HA H 1 4.024 0.02 . . . . . . 61 GLU HA . 16617 1 703 . 1 1 61 61 GLU HB2 H 1 1.970 0.02 . . . . . . 61 GLU HB2 . 16617 1 704 . 1 1 61 61 GLU HB3 H 1 2.060 0.02 . . . . . . 61 GLU HB3 . 16617 1 705 . 1 1 61 61 GLU HG2 H 1 2.293 0.02 . . . . . . 61 GLU HG2 . 16617 1 706 . 1 1 61 61 GLU HG3 H 1 2.293 0.02 . . . . . . 61 GLU HG3 . 16617 1 707 . 1 1 61 61 GLU C C 13 178.800 0.3 . . . . . . 61 GLU C . 16617 1 708 . 1 1 61 61 GLU CA C 13 59.750 0.3 . . . . . . 61 GLU CA . 16617 1 709 . 1 1 61 61 GLU CB C 13 29.260 0.3 . . . . . . 61 GLU CB . 16617 1 710 . 1 1 61 61 GLU CG C 13 36.600 0.3 . . . . . . 61 GLU CG . 16617 1 711 . 1 1 61 61 GLU N N 15 115.709 0.2 . . . . . . 61 GLU N . 16617 1 712 . 1 1 62 62 GLU H H 1 7.122 0.02 . . . . . . 62 GLU H . 16617 1 713 . 1 1 62 62 GLU HA H 1 4.055 0.02 . . . . . . 62 GLU HA . 16617 1 714 . 1 1 62 62 GLU HB2 H 1 2.448 0.02 . . . . . . 62 GLU HB2 . 16617 1 715 . 1 1 62 62 GLU HB3 H 1 1.988 0.02 . . . . . . 62 GLU HB3 . 16617 1 716 . 1 1 62 62 GLU HG2 H 1 2.290 0.02 . . . . . . 62 GLU HG2 . 16617 1 717 . 1 1 62 62 GLU HG3 H 1 2.360 0.02 . . . . . . 62 GLU HG3 . 16617 1 718 . 1 1 62 62 GLU C C 13 180.010 0.3 . . . . . . 62 GLU C . 16617 1 719 . 1 1 62 62 GLU CA C 13 58.150 0.3 . . . . . . 62 GLU CA . 16617 1 720 . 1 1 62 62 GLU CB C 13 30.100 0.3 . . . . . . 62 GLU CB . 16617 1 721 . 1 1 62 62 GLU CG C 13 37.250 0.3 . . . . . . 62 GLU CG . 16617 1 722 . 1 1 62 62 GLU N N 15 116.582 0.2 . . . . . . 62 GLU N . 16617 1 723 . 1 1 63 63 LEU H H 1 8.335 0.02 . . . . . . 63 LEU H . 16617 1 724 . 1 1 63 63 LEU HA H 1 3.938 0.02 . . . . . . 63 LEU HA . 16617 1 725 . 1 1 63 63 LEU HB2 H 1 1.590 0.02 . . . . . . 63 LEU HB2 . 16617 1 726 . 1 1 63 63 LEU HB3 H 1 1.439 0.02 . . . . . . 63 LEU HB3 . 16617 1 727 . 1 1 63 63 LEU HD11 H 1 0.267 0.02 . . . . . . 63 LEU MD1 . 16617 1 728 . 1 1 63 63 LEU HD12 H 1 0.267 0.02 . . . . . . 63 LEU MD1 . 16617 1 729 . 1 1 63 63 LEU HD13 H 1 0.267 0.02 . . . . . . 63 LEU MD1 . 16617 1 730 . 1 1 63 63 LEU HD21 H 1 0.149 0.02 . . . . . . 63 LEU MD2 . 16617 1 731 . 1 1 63 63 LEU HD22 H 1 0.149 0.02 . . . . . . 63 LEU MD2 . 16617 1 732 . 1 1 63 63 LEU HD23 H 1 0.149 0.02 . . . . . . 63 LEU MD2 . 16617 1 733 . 1 1 63 63 LEU HG H 1 1.420 0.02 . . . . . . 63 LEU HG . 16617 1 734 . 1 1 63 63 LEU C C 13 178.900 0.3 . . . . . . 63 LEU C . 16617 1 735 . 1 1 63 63 LEU CA C 13 56.820 0.3 . . . . . . 63 LEU CA . 16617 1 736 . 1 1 63 63 LEU CB C 13 41.550 0.3 . . . . . . 63 LEU CB . 16617 1 737 . 1 1 63 63 LEU CD1 C 13 24.150 0.3 . . . . . . 63 LEU CD1 . 16617 1 738 . 1 1 63 63 LEU CD2 C 13 23.820 0.3 . . . . . . 63 LEU CD2 . 16617 1 739 . 1 1 63 63 LEU CG C 13 25.900 0.3 . . . . . . 63 LEU CG . 16617 1 740 . 1 1 63 63 LEU N N 15 123.335 0.2 . . . . . . 63 LEU N . 16617 1 741 . 1 1 64 64 GLN H H 1 7.792 0.02 . . . . . . 64 GLN H . 16617 1 742 . 1 1 64 64 GLN HA H 1 4.151 0.02 . . . . . . 64 GLN HA . 16617 1 743 . 1 1 64 64 GLN HB2 H 1 2.155 0.02 . . . . . . 64 GLN HB2 . 16617 1 744 . 1 1 64 64 GLN HB3 H 1 2.155 0.02 . . . . . . 64 GLN HB3 . 16617 1 745 . 1 1 64 64 GLN HE21 H 1 6.805 0.02 . . . . . . 64 GLN HE21 . 16617 1 746 . 1 1 64 64 GLN HE22 H 1 7.499 0.02 . . . . . . 64 GLN HE22 . 16617 1 747 . 1 1 64 64 GLN HG2 H 1 2.550 0.02 . . . . . . 64 GLN HG2 . 16617 1 748 . 1 1 64 64 GLN HG3 H 1 2.460 0.02 . . . . . . 64 GLN HG3 . 16617 1 749 . 1 1 64 64 GLN C C 13 178.010 0.3 . . . . . . 64 GLN C . 16617 1 750 . 1 1 64 64 GLN CA C 13 58.810 0.3 . . . . . . 64 GLN CA . 16617 1 751 . 1 1 64 64 GLN CB C 13 28.100 0.3 . . . . . . 64 GLN CB . 16617 1 752 . 1 1 64 64 GLN CG C 13 34.001 0.3 . . . . . . 64 GLN CG . 16617 1 753 . 1 1 64 64 GLN N N 15 116.942 0.2 . . . . . . 64 GLN N . 16617 1 754 . 1 1 64 64 GLN NE2 N 15 110.300 0.2 . . . . . . 64 GLN NE2 . 16617 1 755 . 1 1 65 65 LEU H H 1 7.152 0.02 . . . . . . 65 LEU H . 16617 1 756 . 1 1 65 65 LEU HA H 1 4.425 0.02 . . . . . . 65 LEU HA . 16617 1 757 . 1 1 65 65 LEU HB2 H 1 1.788 0.02 . . . . . . 65 LEU HB2 . 16617 1 758 . 1 1 65 65 LEU HB3 H 1 1.788 0.02 . . . . . . 65 LEU HB3 . 16617 1 759 . 1 1 65 65 LEU HD11 H 1 0.930 0.02 . . . . . . 65 LEU MD1 . 16617 1 760 . 1 1 65 65 LEU HD12 H 1 0.930 0.02 . . . . . . 65 LEU MD1 . 16617 1 761 . 1 1 65 65 LEU HD13 H 1 0.930 0.02 . . . . . . 65 LEU MD1 . 16617 1 762 . 1 1 65 65 LEU HD21 H 1 0.818 0.02 . . . . . . 65 LEU MD2 . 16617 1 763 . 1 1 65 65 LEU HD22 H 1 0.818 0.02 . . . . . . 65 LEU MD2 . 16617 1 764 . 1 1 65 65 LEU HD23 H 1 0.818 0.02 . . . . . . 65 LEU MD2 . 16617 1 765 . 1 1 65 65 LEU HG H 1 1.773 0.02 . . . . . . 65 LEU HG . 16617 1 766 . 1 1 65 65 LEU C C 13 177.010 0.3 . . . . . . 65 LEU C . 16617 1 767 . 1 1 65 65 LEU CA C 13 53.860 0.3 . . . . . . 65 LEU CA . 16617 1 768 . 1 1 65 65 LEU CB C 13 40.960 0.3 . . . . . . 65 LEU CB . 16617 1 769 . 1 1 65 65 LEU CD1 C 13 25.370 0.3 . . . . . . 65 LEU CD1 . 16617 1 770 . 1 1 65 65 LEU CD2 C 13 22.550 0.3 . . . . . . 65 LEU CD2 . 16617 1 771 . 1 1 65 65 LEU CG C 13 26.640 0.3 . . . . . . 65 LEU CG . 16617 1 772 . 1 1 65 65 LEU N N 15 117.250 0.2 . . . . . . 65 LEU N . 16617 1 773 . 1 1 66 66 PHE H H 1 7.757 0.02 . . . . . . 66 PHE H . 16617 1 774 . 1 1 66 66 PHE HA H 1 3.910 0.02 . . . . . . 66 PHE HA . 16617 1 775 . 1 1 66 66 PHE HB2 H 1 2.526 0.02 . . . . . . 66 PHE HB2 . 16617 1 776 . 1 1 66 66 PHE HB3 H 1 2.526 0.02 . . . . . . 66 PHE HB3 . 16617 1 777 . 1 1 66 66 PHE HD1 H 1 6.929 0.02 . . . . . . 66 PHE HD1 . 16617 1 778 . 1 1 66 66 PHE HD2 H 1 6.929 0.02 . . . . . . 66 PHE HD2 . 16617 1 779 . 1 1 66 66 PHE HE1 H 1 6.901 0.02 . . . . . . 66 PHE HE1 . 16617 1 780 . 1 1 66 66 PHE HE2 H 1 6.901 0.02 . . . . . . 66 PHE HE2 . 16617 1 781 . 1 1 66 66 PHE C C 13 178.010 0.3 . . . . . . 66 PHE C . 16617 1 782 . 1 1 66 66 PHE CA C 13 62.550 0.3 . . . . . . 66 PHE CA . 16617 1 783 . 1 1 66 66 PHE CB C 13 42.080 0.3 . . . . . . 66 PHE CB . 16617 1 784 . 1 1 66 66 PHE N N 15 119.588 0.2 . . . . . . 66 PHE N . 16617 1 785 . 1 1 67 67 LEU H H 1 9.197 0.02 . . . . . . 67 LEU H . 16617 1 786 . 1 1 67 67 LEU HA H 1 3.930 0.02 . . . . . . 67 LEU HA . 16617 1 787 . 1 1 67 67 LEU HB2 H 1 2.030 0.02 . . . . . . 67 LEU HB2 . 16617 1 788 . 1 1 67 67 LEU HB3 H 1 1.290 0.02 . . . . . . 67 LEU HB3 . 16617 1 789 . 1 1 67 67 LEU HD11 H 1 0.820 0.02 . . . . . . 67 LEU MD1 . 16617 1 790 . 1 1 67 67 LEU HD12 H 1 0.820 0.02 . . . . . . 67 LEU MD1 . 16617 1 791 . 1 1 67 67 LEU HD13 H 1 0.820 0.02 . . . . . . 67 LEU MD1 . 16617 1 792 . 1 1 67 67 LEU HD21 H 1 0.496 0.02 . . . . . . 67 LEU MD2 . 16617 1 793 . 1 1 67 67 LEU HD22 H 1 0.496 0.02 . . . . . . 67 LEU MD2 . 16617 1 794 . 1 1 67 67 LEU HD23 H 1 0.496 0.02 . . . . . . 67 LEU MD2 . 16617 1 795 . 1 1 67 67 LEU HG H 1 1.490 0.02 . . . . . . 67 LEU HG . 16617 1 796 . 1 1 67 67 LEU C C 13 180.010 0.3 . . . . . . 67 LEU C . 16617 1 797 . 1 1 67 67 LEU CA C 13 57.200 0.3 . . . . . . 67 LEU CA . 16617 1 798 . 1 1 67 67 LEU CB C 13 41.250 0.3 . . . . . . 67 LEU CB . 16617 1 799 . 1 1 67 67 LEU CD1 C 13 25.570 0.3 . . . . . . 67 LEU CD1 . 16617 1 800 . 1 1 67 67 LEU CD2 C 13 22.970 0.3 . . . . . . 67 LEU CD2 . 16617 1 801 . 1 1 67 67 LEU CG C 13 26.800 0.3 . . . . . . 67 LEU CG . 16617 1 802 . 1 1 67 67 LEU N N 15 114.236 0.2 . . . . . . 67 LEU N . 16617 1 803 . 1 1 68 68 LYS H H 1 7.568 0.02 . . . . . . 68 LYS H . 16617 1 804 . 1 1 68 68 LYS HA H 1 4.645 0.02 . . . . . . 68 LYS HA . 16617 1 805 . 1 1 68 68 LYS HB2 H 1 1.950 0.02 . . . . . . 68 LYS HB2 . 16617 1 806 . 1 1 68 68 LYS HB3 H 1 1.600 0.02 . . . . . . 68 LYS HB3 . 16617 1 807 . 1 1 68 68 LYS HD2 H 1 1.674 0.02 . . . . . . 68 LYS HD2 . 16617 1 808 . 1 1 68 68 LYS HD3 H 1 1.587 0.02 . . . . . . 68 LYS HD3 . 16617 1 809 . 1 1 68 68 LYS HE2 H 1 2.790 0.02 . . . . . . 68 LYS HE2 . 16617 1 810 . 1 1 68 68 LYS HE3 H 1 3.070 0.02 . . . . . . 68 LYS HE3 . 16617 1 811 . 1 1 68 68 LYS HG2 H 1 1.335 0.02 . . . . . . 68 LYS HG2 . 16617 1 812 . 1 1 68 68 LYS HG3 H 1 1.335 0.02 . . . . . . 68 LYS HG3 . 16617 1 813 . 1 1 68 68 LYS C C 13 177.800 0.3 . . . . . . 68 LYS C . 16617 1 814 . 1 1 68 68 LYS CA C 13 56.940 0.3 . . . . . . 68 LYS CA . 16617 1 815 . 1 1 68 68 LYS CB C 13 31.800 0.3 . . . . . . 68 LYS CB . 16617 1 816 . 1 1 68 68 LYS CD C 13 29.680 0.3 . . . . . . 68 LYS CD . 16617 1 817 . 1 1 68 68 LYS CE C 13 42.500 0.3 . . . . . . 68 LYS CE . 16617 1 818 . 1 1 68 68 LYS CG C 13 26.020 0.3 . . . . . . 68 LYS CG . 16617 1 819 . 1 1 68 68 LYS N N 15 117.421 0.2 . . . . . . 68 LYS N . 16617 1 820 . 1 1 69 69 ASN H H 1 7.037 0.02 . . . . . . 69 ASN H . 16617 1 821 . 1 1 69 69 ASN HA H 1 4.063 0.02 . . . . . . 69 ASN HA . 16617 1 822 . 1 1 69 69 ASN HB2 H 1 1.835 0.02 . . . . . . 69 ASN HB2 . 16617 1 823 . 1 1 69 69 ASN HB3 H 1 1.790 0.02 . . . . . . 69 ASN HB3 . 16617 1 824 . 1 1 69 69 ASN C C 13 174.200 0.3 . . . . . . 69 ASN C . 16617 1 825 . 1 1 69 69 ASN CA C 13 55.100 0.3 . . . . . . 69 ASN CA . 16617 1 826 . 1 1 69 69 ASN CB C 13 39.850 0.3 . . . . . . 69 ASN CB . 16617 1 827 . 1 1 69 69 ASN N N 15 112.696 0.2 . . . . . . 69 ASN N . 16617 1 828 . 1 1 70 70 PHE H H 1 7.814 0.02 . . . . . . 70 PHE H . 16617 1 829 . 1 1 70 70 PHE HA H 1 4.158 0.02 . . . . . . 70 PHE HA . 16617 1 830 . 1 1 70 70 PHE HB2 H 1 3.183 0.02 . . . . . . 70 PHE HB2 . 16617 1 831 . 1 1 70 70 PHE HB3 H 1 3.108 0.02 . . . . . . 70 PHE HB3 . 16617 1 832 . 1 1 70 70 PHE HD1 H 1 7.205 0.02 . . . . . . 70 PHE HD1 . 16617 1 833 . 1 1 70 70 PHE HD2 H 1 7.205 0.02 . . . . . . 70 PHE HD2 . 16617 1 834 . 1 1 70 70 PHE HE1 H 1 6.298 0.02 . . . . . . 70 PHE HE1 . 16617 1 835 . 1 1 70 70 PHE HE2 H 1 6.298 0.02 . . . . . . 70 PHE HE2 . 16617 1 836 . 1 1 70 70 PHE C C 13 175.300 0.3 . . . . . . 70 PHE C . 16617 1 837 . 1 1 70 70 PHE CA C 13 59.200 0.3 . . . . . . 70 PHE CA . 16617 1 838 . 1 1 70 70 PHE CB C 13 38.800 0.3 . . . . . . 70 PHE CB . 16617 1 839 . 1 1 70 70 PHE N N 15 116.154 0.2 . . . . . . 70 PHE N . 16617 1 840 . 1 1 71 71 SER H H 1 7.441 0.02 . . . . . . 71 SER H . 16617 1 841 . 1 1 71 71 SER HA H 1 4.524 0.02 . . . . . . 71 SER HA . 16617 1 842 . 1 1 71 71 SER HB2 H 1 3.868 0.02 . . . . . . 71 SER HB2 . 16617 1 843 . 1 1 71 71 SER HB3 H 1 3.388 0.02 . . . . . . 71 SER HB3 . 16617 1 844 . 1 1 71 71 SER C C 13 177.500 0.3 . . . . . . 71 SER C . 16617 1 845 . 1 1 71 71 SER CA C 13 57.250 0.3 . . . . . . 71 SER CA . 16617 1 846 . 1 1 71 71 SER CB C 13 64.800 0.3 . . . . . . 71 SER CB . 16617 1 847 . 1 1 71 71 SER N N 15 111.204 0.2 . . . . . . 71 SER N . 16617 1 848 . 1 1 72 72 SER H H 1 9.224 0.02 . . . . . . 72 SER H . 16617 1 849 . 1 1 72 72 SER HA H 1 4.270 0.02 . . . . . . 72 SER HA . 16617 1 850 . 1 1 72 72 SER HB2 H 1 3.968 0.02 . . . . . . 72 SER HB2 . 16617 1 851 . 1 1 72 72 SER HB3 H 1 3.968 0.02 . . . . . . 72 SER HB3 . 16617 1 852 . 1 1 72 72 SER C C 13 174.600 0.3 . . . . . . 72 SER C . 16617 1 853 . 1 1 72 72 SER CA C 13 61.500 0.3 . . . . . . 72 SER CA . 16617 1 854 . 1 1 72 72 SER CB C 13 62.400 0.3 . . . . . . 72 SER CB . 16617 1 855 . 1 1 72 72 SER N N 15 124.882 0.2 . . . . . . 72 SER N . 16617 1 856 . 1 1 73 73 SER H H 1 7.723 0.02 . . . . . . 73 SER H . 16617 1 857 . 1 1 73 73 SER HA H 1 4.504 0.02 . . . . . . 73 SER HA . 16617 1 858 . 1 1 73 73 SER HB2 H 1 3.789 0.02 . . . . . . 73 SER HB2 . 16617 1 859 . 1 1 73 73 SER HB3 H 1 3.926 0.02 . . . . . . 73 SER HB3 . 16617 1 860 . 1 1 73 73 SER C C 13 174.300 0.3 . . . . . . 73 SER C . 16617 1 861 . 1 1 73 73 SER CA C 13 57.700 0.3 . . . . . . 73 SER CA . 16617 1 862 . 1 1 73 73 SER CB C 13 63.400 0.3 . . . . . . 73 SER CB . 16617 1 863 . 1 1 73 73 SER N N 15 113.599 0.2 . . . . . . 73 SER N . 16617 1 864 . 1 1 74 74 ALA H H 1 7.590 0.02 . . . . . . 74 ALA H . 16617 1 865 . 1 1 74 74 ALA HA H 1 4.301 0.02 . . . . . . 74 ALA HA . 16617 1 866 . 1 1 74 74 ALA HB1 H 1 1.385 0.02 . . . . . . 74 ALA MB . 16617 1 867 . 1 1 74 74 ALA HB2 H 1 1.385 0.02 . . . . . . 74 ALA MB . 16617 1 868 . 1 1 74 74 ALA HB3 H 1 1.385 0.02 . . . . . . 74 ALA MB . 16617 1 869 . 1 1 74 74 ALA C C 13 175.600 0.3 . . . . . . 74 ALA C . 16617 1 870 . 1 1 74 74 ALA CA C 13 51.800 0.3 . . . . . . 74 ALA CA . 16617 1 871 . 1 1 74 74 ALA CB C 13 21.650 0.3 . . . . . . 74 ALA CB . 16617 1 872 . 1 1 74 74 ALA N N 15 124.800 0.2 . . . . . . 74 ALA N . 16617 1 873 . 1 1 75 75 ARG H H 1 8.210 0.02 . . . . . . 75 ARG H . 16617 1 874 . 1 1 75 75 ARG HA H 1 4.431 0.02 . . . . . . 75 ARG HA . 16617 1 875 . 1 1 75 75 ARG HB2 H 1 1.980 0.02 . . . . . . 75 ARG HB2 . 16617 1 876 . 1 1 75 75 ARG HB3 H 1 1.770 0.02 . . . . . . 75 ARG HB3 . 16617 1 877 . 1 1 75 75 ARG HD2 H 1 3.230 0.02 . . . . . . 75 ARG HD2 . 16617 1 878 . 1 1 75 75 ARG HD3 H 1 3.070 0.02 . . . . . . 75 ARG HD3 . 16617 1 879 . 1 1 75 75 ARG HG2 H 1 1.450 0.02 . . . . . . 75 ARG HG2 . 16617 1 880 . 1 1 75 75 ARG HG3 H 1 1.270 0.02 . . . . . . 75 ARG HG3 . 16617 1 881 . 1 1 75 75 ARG C C 13 175.500 0.3 . . . . . . 75 ARG C . 16617 1 882 . 1 1 75 75 ARG CA C 13 54.650 0.3 . . . . . . 75 ARG CA . 16617 1 883 . 1 1 75 75 ARG CB C 13 30.770 0.3 . . . . . . 75 ARG CB . 16617 1 884 . 1 1 75 75 ARG CD C 13 42.900 0.3 . . . . . . 75 ARG CD . 16617 1 885 . 1 1 75 75 ARG CG C 13 27.100 0.3 . . . . . . 75 ARG CG . 16617 1 886 . 1 1 75 75 ARG N N 15 116.400 0.2 . . . . . . 75 ARG N . 16617 1 887 . 1 1 76 76 VAL H H 1 7.890 0.02 . . . . . . 76 VAL H . 16617 1 888 . 1 1 76 76 VAL HA H 1 4.032 0.02 . . . . . . 76 VAL HA . 16617 1 889 . 1 1 76 76 VAL HB H 1 2.056 0.02 . . . . . . 76 VAL HB . 16617 1 890 . 1 1 76 76 VAL HG11 H 1 1.030 0.02 . . . . . . 76 VAL MG1 . 16617 1 891 . 1 1 76 76 VAL HG12 H 1 1.030 0.02 . . . . . . 76 VAL MG1 . 16617 1 892 . 1 1 76 76 VAL HG13 H 1 1.030 0.02 . . . . . . 76 VAL MG1 . 16617 1 893 . 1 1 76 76 VAL HG21 H 1 0.907 0.02 . . . . . . 76 VAL MG2 . 16617 1 894 . 1 1 76 76 VAL HG22 H 1 0.907 0.02 . . . . . . 76 VAL MG2 . 16617 1 895 . 1 1 76 76 VAL HG23 H 1 0.907 0.02 . . . . . . 76 VAL MG2 . 16617 1 896 . 1 1 76 76 VAL C C 13 175.010 0.3 . . . . . . 76 VAL C . 16617 1 897 . 1 1 76 76 VAL CA C 13 62.100 0.3 . . . . . . 76 VAL CA . 16617 1 898 . 1 1 76 76 VAL CB C 13 32.800 0.3 . . . . . . 76 VAL CB . 16617 1 899 . 1 1 76 76 VAL CG1 C 13 21.960 0.3 . . . . . . 76 VAL CG1 . 16617 1 900 . 1 1 76 76 VAL CG2 C 13 20.400 0.3 . . . . . . 76 VAL CG2 . 16617 1 901 . 1 1 76 76 VAL N N 15 114.400 0.2 . . . . . . 76 VAL N . 16617 1 902 . 1 1 77 77 LEU H H 1 8.350 0.02 . . . . . . 77 LEU H . 16617 1 903 . 1 1 77 77 LEU HA H 1 4.512 0.02 . . . . . . 77 LEU HA . 16617 1 904 . 1 1 77 77 LEU HB2 H 1 1.930 0.02 . . . . . . 77 LEU HB2 . 16617 1 905 . 1 1 77 77 LEU HB3 H 1 1.580 0.02 . . . . . . 77 LEU HB3 . 16617 1 906 . 1 1 77 77 LEU HD11 H 1 0.474 0.02 . . . . . . 77 LEU MD1 . 16617 1 907 . 1 1 77 77 LEU HD12 H 1 0.474 0.02 . . . . . . 77 LEU MD1 . 16617 1 908 . 1 1 77 77 LEU HD13 H 1 0.474 0.02 . . . . . . 77 LEU MD1 . 16617 1 909 . 1 1 77 77 LEU HD21 H 1 0.304 0.02 . . . . . . 77 LEU MD2 . 16617 1 910 . 1 1 77 77 LEU HD22 H 1 0.304 0.02 . . . . . . 77 LEU MD2 . 16617 1 911 . 1 1 77 77 LEU HD23 H 1 0.304 0.02 . . . . . . 77 LEU MD2 . 16617 1 912 . 1 1 77 77 LEU HG H 1 1.740 0.02 . . . . . . 77 LEU HG . 16617 1 913 . 1 1 77 77 LEU C C 13 178.300 0.3 . . . . . . 77 LEU C . 16617 1 914 . 1 1 77 77 LEU CA C 13 55.070 0.3 . . . . . . 77 LEU CA . 16617 1 915 . 1 1 77 77 LEU CB C 13 42.100 0.3 . . . . . . 77 LEU CB . 16617 1 916 . 1 1 77 77 LEU CD1 C 13 25.520 0.3 . . . . . . 77 LEU CD1 . 16617 1 917 . 1 1 77 77 LEU CD2 C 13 22.250 0.3 . . . . . . 77 LEU CD2 . 16617 1 918 . 1 1 77 77 LEU CG C 13 27.250 0.3 . . . . . . 77 LEU CG . 16617 1 919 . 1 1 77 77 LEU N N 15 124.400 0.2 . . . . . . 77 LEU N . 16617 1 920 . 1 1 78 78 THR H H 1 10.060 0.02 . . . . . . 78 THR H . 16617 1 921 . 1 1 78 78 THR HA H 1 4.401 0.02 . . . . . . 78 THR HA . 16617 1 922 . 1 1 78 78 THR HB H 1 4.870 0.02 . . . . . . 78 THR HB . 16617 1 923 . 1 1 78 78 THR HG21 H 1 1.400 0.02 . . . . . . 78 THR MG . 16617 1 924 . 1 1 78 78 THR HG22 H 1 1.400 0.02 . . . . . . 78 THR MG . 16617 1 925 . 1 1 78 78 THR HG23 H 1 1.400 0.02 . . . . . . 78 THR MG . 16617 1 926 . 1 1 78 78 THR C C 13 176.900 0.3 . . . . . . 78 THR C . 16617 1 927 . 1 1 78 78 THR CA C 13 60.900 0.3 . . . . . . 78 THR CA . 16617 1 928 . 1 1 78 78 THR CB C 13 71.100 0.3 . . . . . . 78 THR CB . 16617 1 929 . 1 1 78 78 THR CG2 C 13 22.090 0.3 . . . . . . 78 THR CG2 . 16617 1 930 . 1 1 78 78 THR N N 15 113.000 0.2 . . . . . . 78 THR N . 16617 1 931 . 1 1 79 79 SER H H 1 9.263 0.02 . . . . . . 79 SER H . 16617 1 932 . 1 1 79 79 SER HA H 1 4.270 0.02 . . . . . . 79 SER HA . 16617 1 933 . 1 1 79 79 SER HB2 H 1 3.950 0.02 . . . . . . 79 SER HB2 . 16617 1 934 . 1 1 79 79 SER HB3 H 1 3.950 0.02 . . . . . . 79 SER HB3 . 16617 1 935 . 1 1 79 79 SER C C 13 176.500 0.3 . . . . . . 79 SER C . 16617 1 936 . 1 1 79 79 SER CA C 13 61.600 0.3 . . . . . . 79 SER CA . 16617 1 937 . 1 1 79 79 SER CB C 13 62.200 0.3 . . . . . . 79 SER CB . 16617 1 938 . 1 1 79 79 SER N N 15 118.800 0.2 . . . . . . 79 SER N . 16617 1 939 . 1 1 80 80 ALA H H 1 8.600 0.02 . . . . . . 80 ALA H . 16617 1 940 . 1 1 80 80 ALA HA H 1 4.130 0.02 . . . . . . 80 ALA HA . 16617 1 941 . 1 1 80 80 ALA HB1 H 1 1.480 0.02 . . . . . . 80 ALA MB . 16617 1 942 . 1 1 80 80 ALA HB2 H 1 1.480 0.02 . . . . . . 80 ALA MB . 16617 1 943 . 1 1 80 80 ALA HB3 H 1 1.480 0.02 . . . . . . 80 ALA MB . 16617 1 944 . 1 1 80 80 ALA C C 13 181.800 0.3 . . . . . . 80 ALA C . 16617 1 945 . 1 1 80 80 ALA CA C 13 55.400 0.3 . . . . . . 80 ALA CA . 16617 1 946 . 1 1 80 80 ALA CB C 13 18.400 0.3 . . . . . . 80 ALA CB . 16617 1 947 . 1 1 80 80 ALA N N 15 122.700 0.2 . . . . . . 80 ALA N . 16617 1 948 . 1 1 81 81 GLU H H 1 8.232 0.02 . . . . . . 81 GLU H . 16617 1 949 . 1 1 81 81 GLU HA H 1 4.185 0.02 . . . . . . 81 GLU HA . 16617 1 950 . 1 1 81 81 GLU HB2 H 1 2.660 0.02 . . . . . . 81 GLU HB2 . 16617 1 951 . 1 1 81 81 GLU HB3 H 1 1.930 0.02 . . . . . . 81 GLU HB3 . 16617 1 952 . 1 1 81 81 GLU HG2 H 1 2.550 0.02 . . . . . . 81 GLU HG2 . 16617 1 953 . 1 1 81 81 GLU HG3 H 1 2.890 0.02 . . . . . . 81 GLU HG3 . 16617 1 954 . 1 1 81 81 GLU C C 13 180.100 0.3 . . . . . . 81 GLU C . 16617 1 955 . 1 1 81 81 GLU CA C 13 58.770 0.3 . . . . . . 81 GLU CA . 16617 1 956 . 1 1 81 81 GLU CB C 13 31.800 0.3 . . . . . . 81 GLU CB . 16617 1 957 . 1 1 81 81 GLU CG C 13 38.150 0.3 . . . . . . 81 GLU CG . 16617 1 958 . 1 1 81 81 GLU N N 15 119.424 0.2 . . . . . . 81 GLU N . 16617 1 959 . 1 1 82 82 THR H H 1 8.798 0.02 . . . . . . 82 THR H . 16617 1 960 . 1 1 82 82 THR HA H 1 3.635 0.02 . . . . . . 82 THR HA . 16617 1 961 . 1 1 82 82 THR HB H 1 4.323 0.02 . . . . . . 82 THR HB . 16617 1 962 . 1 1 82 82 THR HG21 H 1 1.120 0.02 . . . . . . 82 THR MG . 16617 1 963 . 1 1 82 82 THR HG22 H 1 1.120 0.02 . . . . . . 82 THR MG . 16617 1 964 . 1 1 82 82 THR HG23 H 1 1.120 0.02 . . . . . . 82 THR MG . 16617 1 965 . 1 1 82 82 THR C C 13 176.300 0.3 . . . . . . 82 THR C . 16617 1 966 . 1 1 82 82 THR CA C 13 67.900 0.3 . . . . . . 82 THR CA . 16617 1 967 . 1 1 82 82 THR CB C 13 68.010 0.3 . . . . . . 82 THR CB . 16617 1 968 . 1 1 82 82 THR CG2 C 13 22.474 0.3 . . . . . . 82 THR CG2 . 16617 1 969 . 1 1 82 82 THR N N 15 116.782 0.2 . . . . . . 82 THR N . 16617 1 970 . 1 1 83 83 LYS H H 1 8.509 0.02 . . . . . . 83 LYS H . 16617 1 971 . 1 1 83 83 LYS HA H 1 3.913 0.02 . . . . . . 83 LYS HA . 16617 1 972 . 1 1 83 83 LYS HB2 H 1 1.940 0.02 . . . . . . 83 LYS HB2 . 16617 1 973 . 1 1 83 83 LYS HB3 H 1 1.840 0.02 . . . . . . 83 LYS HB3 . 16617 1 974 . 1 1 83 83 LYS HD2 H 1 1.620 0.02 . . . . . . 83 LYS HD2 . 16617 1 975 . 1 1 83 83 LYS HD3 H 1 1.620 0.02 . . . . . . 83 LYS HD3 . 16617 1 976 . 1 1 83 83 LYS HE2 H 1 2.910 0.02 . . . . . . 83 LYS HE2 . 16617 1 977 . 1 1 83 83 LYS HE3 H 1 2.910 0.02 . . . . . . 83 LYS HE3 . 16617 1 978 . 1 1 83 83 LYS HG2 H 1 1.503 0.02 . . . . . . 83 LYS HG2 . 16617 1 979 . 1 1 83 83 LYS HG3 H 1 1.580 0.02 . . . . . . 83 LYS HG3 . 16617 1 980 . 1 1 83 83 LYS C C 13 179.600 0.3 . . . . . . 83 LYS C . 16617 1 981 . 1 1 83 83 LYS CA C 13 59.500 0.3 . . . . . . 83 LYS CA . 16617 1 982 . 1 1 83 83 LYS CB C 13 32.200 0.3 . . . . . . 83 LYS CB . 16617 1 983 . 1 1 83 83 LYS CD C 13 29.001 0.3 . . . . . . 83 LYS CD . 16617 1 984 . 1 1 83 83 LYS CE C 13 42.400 0.3 . . . . . . 83 LYS CE . 16617 1 985 . 1 1 83 83 LYS CG C 13 25.400 0.3 . . . . . . 83 LYS CG . 16617 1 986 . 1 1 83 83 LYS N N 15 120.581 0.2 . . . . . . 83 LYS N . 16617 1 987 . 1 1 84 84 ALA H H 1 7.789 0.02 . . . . . . 84 ALA H . 16617 1 988 . 1 1 84 84 ALA HA H 1 4.263 0.02 . . . . . . 84 ALA HA . 16617 1 989 . 1 1 84 84 ALA HB1 H 1 1.598 0.02 . . . . . . 84 ALA MB . 16617 1 990 . 1 1 84 84 ALA HB2 H 1 1.598 0.02 . . . . . . 84 ALA MB . 16617 1 991 . 1 1 84 84 ALA HB3 H 1 1.598 0.02 . . . . . . 84 ALA MB . 16617 1 992 . 1 1 84 84 ALA C C 13 180.010 0.3 . . . . . . 84 ALA C . 16617 1 993 . 1 1 84 84 ALA CA C 13 55.010 0.3 . . . . . . 84 ALA CA . 16617 1 994 . 1 1 84 84 ALA CB C 13 18.160 0.3 . . . . . . 84 ALA CB . 16617 1 995 . 1 1 84 84 ALA N N 15 121.304 0.2 . . . . . . 84 ALA N . 16617 1 996 . 1 1 85 85 PHE H H 1 8.006 0.02 . . . . . . 85 PHE H . 16617 1 997 . 1 1 85 85 PHE HA H 1 4.460 0.02 . . . . . . 85 PHE HA . 16617 1 998 . 1 1 85 85 PHE HB2 H 1 3.450 0.02 . . . . . . 85 PHE HB2 . 16617 1 999 . 1 1 85 85 PHE HB3 H 1 3.450 0.02 . . . . . . 85 PHE HB3 . 16617 1 1000 . 1 1 85 85 PHE HD1 H 1 6.889 0.02 . . . . . . 85 PHE HD1 . 16617 1 1001 . 1 1 85 85 PHE HD2 H 1 6.889 0.02 . . . . . . 85 PHE HD2 . 16617 1 1002 . 1 1 85 85 PHE HE1 H 1 6.320 0.02 . . . . . . 85 PHE HE1 . 16617 1 1003 . 1 1 85 85 PHE HE2 H 1 6.320 0.02 . . . . . . 85 PHE HE2 . 16617 1 1004 . 1 1 85 85 PHE C C 13 177.600 0.3 . . . . . . 85 PHE C . 16617 1 1005 . 1 1 85 85 PHE CA C 13 57.400 0.3 . . . . . . 85 PHE CA . 16617 1 1006 . 1 1 85 85 PHE CB C 13 38.900 0.3 . . . . . . 85 PHE CB . 16617 1 1007 . 1 1 85 85 PHE N N 15 122.534 0.2 . . . . . . 85 PHE N . 16617 1 1008 . 1 1 86 86 LEU H H 1 8.500 0.02 . . . . . . 86 LEU H . 16617 1 1009 . 1 1 86 86 LEU HA H 1 3.694 0.02 . . . . . . 86 LEU HA . 16617 1 1010 . 1 1 86 86 LEU HB2 H 1 1.810 0.02 . . . . . . 86 LEU HB2 . 16617 1 1011 . 1 1 86 86 LEU HB3 H 1 1.370 0.02 . . . . . . 86 LEU HB3 . 16617 1 1012 . 1 1 86 86 LEU HD11 H 1 0.752 0.02 . . . . . . 86 LEU MD1 . 16617 1 1013 . 1 1 86 86 LEU HD12 H 1 0.752 0.02 . . . . . . 86 LEU MD1 . 16617 1 1014 . 1 1 86 86 LEU HD13 H 1 0.752 0.02 . . . . . . 86 LEU MD1 . 16617 1 1015 . 1 1 86 86 LEU HD21 H 1 0.634 0.02 . . . . . . 86 LEU MD2 . 16617 1 1016 . 1 1 86 86 LEU HD22 H 1 0.634 0.02 . . . . . . 86 LEU MD2 . 16617 1 1017 . 1 1 86 86 LEU HD23 H 1 0.634 0.02 . . . . . . 86 LEU MD2 . 16617 1 1018 . 1 1 86 86 LEU HG H 1 1.554 0.02 . . . . . . 86 LEU HG . 16617 1 1019 . 1 1 86 86 LEU C C 13 177.900 0.3 . . . . . . 86 LEU C . 16617 1 1020 . 1 1 86 86 LEU CA C 13 58.100 0.3 . . . . . . 86 LEU CA . 16617 1 1021 . 1 1 86 86 LEU CB C 13 41.950 0.3 . . . . . . 86 LEU CB . 16617 1 1022 . 1 1 86 86 LEU CD1 C 13 25.700 0.3 . . . . . . 86 LEU CD1 . 16617 1 1023 . 1 1 86 86 LEU CD2 C 13 23.130 0.3 . . . . . . 86 LEU CD2 . 16617 1 1024 . 1 1 86 86 LEU CG C 13 26.600 0.3 . . . . . . 86 LEU CG . 16617 1 1025 . 1 1 86 86 LEU N N 15 119.108 0.2 . . . . . . 86 LEU N . 16617 1 1026 . 1 1 87 87 ALA H H 1 8.144 0.02 . . . . . . 87 ALA H . 16617 1 1027 . 1 1 87 87 ALA HA H 1 4.103 0.02 . . . . . . 87 ALA HA . 16617 1 1028 . 1 1 87 87 ALA HB1 H 1 1.460 0.02 . . . . . . 87 ALA MB . 16617 1 1029 . 1 1 87 87 ALA HB2 H 1 1.460 0.02 . . . . . . 87 ALA MB . 16617 1 1030 . 1 1 87 87 ALA HB3 H 1 1.460 0.02 . . . . . . 87 ALA MB . 16617 1 1031 . 1 1 87 87 ALA C C 13 179.900 0.3 . . . . . . 87 ALA C . 16617 1 1032 . 1 1 87 87 ALA CA C 13 54.300 0.3 . . . . . . 87 ALA CA . 16617 1 1033 . 1 1 87 87 ALA CB C 13 18.200 0.3 . . . . . . 87 ALA CB . 16617 1 1034 . 1 1 87 87 ALA N N 15 117.694 0.2 . . . . . . 87 ALA N . 16617 1 1035 . 1 1 88 88 ALA H H 1 7.394 0.02 . . . . . . 88 ALA H . 16617 1 1036 . 1 1 88 88 ALA HA H 1 4.133 0.02 . . . . . . 88 ALA HA . 16617 1 1037 . 1 1 88 88 ALA HB1 H 1 1.374 0.02 . . . . . . 88 ALA MB . 16617 1 1038 . 1 1 88 88 ALA HB2 H 1 1.374 0.02 . . . . . . 88 ALA MB . 16617 1 1039 . 1 1 88 88 ALA HB3 H 1 1.374 0.02 . . . . . . 88 ALA MB . 16617 1 1040 . 1 1 88 88 ALA C C 13 179.100 0.3 . . . . . . 88 ALA C . 16617 1 1041 . 1 1 88 88 ALA CA C 13 53.800 0.3 . . . . . . 88 ALA CA . 16617 1 1042 . 1 1 88 88 ALA CB C 13 19.300 0.3 . . . . . . 88 ALA CB . 16617 1 1043 . 1 1 88 88 ALA N N 15 117.367 0.2 . . . . . . 88 ALA N . 16617 1 1044 . 1 1 89 89 GLY H H 1 7.782 0.02 . . . . . . 89 GLY H . 16617 1 1045 . 1 1 89 89 GLY HA2 H 1 4.198 0.02 . . . . . . 89 GLY HA2 . 16617 1 1046 . 1 1 89 89 GLY HA3 H 1 3.213 0.02 . . . . . . 89 GLY HA3 . 16617 1 1047 . 1 1 89 89 GLY C C 13 178.200 0.3 . . . . . . 89 GLY C . 16617 1 1048 . 1 1 89 89 GLY CA C 13 46.200 0.3 . . . . . . 89 GLY CA . 16617 1 1049 . 1 1 89 89 GLY N N 15 101.358 0.2 . . . . . . 89 GLY N . 16617 1 1050 . 1 1 90 90 ASP H H 1 8.404 0.02 . . . . . . 90 ASP H . 16617 1 1051 . 1 1 90 90 ASP HA H 1 4.850 0.02 . . . . . . 90 ASP HA . 16617 1 1052 . 1 1 90 90 ASP HB2 H 1 2.815 0.02 . . . . . . 90 ASP HB2 . 16617 1 1053 . 1 1 90 90 ASP HB3 H 1 2.320 0.02 . . . . . . 90 ASP HB3 . 16617 1 1054 . 1 1 90 90 ASP C C 13 177.010 0.3 . . . . . . 90 ASP C . 16617 1 1055 . 1 1 90 90 ASP CA C 13 53.300 0.3 . . . . . . 90 ASP CA . 16617 1 1056 . 1 1 90 90 ASP CB C 13 39.700 0.3 . . . . . . 90 ASP CB . 16617 1 1057 . 1 1 90 90 ASP N N 15 120.040 0.2 . . . . . . 90 ASP N . 16617 1 1058 . 1 1 91 91 THR H H 1 8.831 0.02 . . . . . . 91 THR H . 16617 1 1059 . 1 1 91 91 THR HA H 1 4.190 0.02 . . . . . . 91 THR HA . 16617 1 1060 . 1 1 91 91 THR HB H 1 4.325 0.02 . . . . . . 91 THR HB . 16617 1 1061 . 1 1 91 91 THR HG21 H 1 1.230 0.02 . . . . . . 91 THR MG . 16617 1 1062 . 1 1 91 91 THR HG22 H 1 1.230 0.02 . . . . . . 91 THR MG . 16617 1 1063 . 1 1 91 91 THR HG23 H 1 1.230 0.02 . . . . . . 91 THR MG . 16617 1 1064 . 1 1 91 91 THR C C 13 176.800 0.3 . . . . . . 91 THR C . 16617 1 1065 . 1 1 91 91 THR CA C 13 63.400 0.3 . . . . . . 91 THR CA . 16617 1 1066 . 1 1 91 91 THR CB C 13 68.970 0.3 . . . . . . 91 THR CB . 16617 1 1067 . 1 1 91 91 THR CG2 C 13 22.035 0.3 . . . . . . 91 THR CG2 . 16617 1 1068 . 1 1 91 91 THR N N 15 119.250 0.2 . . . . . . 91 THR N . 16617 1 1069 . 1 1 92 92 ASP H H 1 8.865 0.02 . . . . . . 92 ASP H . 16617 1 1070 . 1 1 92 92 ASP HA H 1 4.680 0.02 . . . . . . 92 ASP HA . 16617 1 1071 . 1 1 92 92 ASP HB2 H 1 2.740 0.02 . . . . . . 92 ASP HB2 . 16617 1 1072 . 1 1 92 92 ASP HB3 H 1 2.660 0.02 . . . . . . 92 ASP HB3 . 16617 1 1073 . 1 1 92 92 ASP C C 13 177.400 0.3 . . . . . . 92 ASP C . 16617 1 1074 . 1 1 92 92 ASP CA C 13 54.380 0.3 . . . . . . 92 ASP CA . 16617 1 1075 . 1 1 92 92 ASP CB C 13 39.800 0.3 . . . . . . 92 ASP CB . 16617 1 1076 . 1 1 92 92 ASP N N 15 121.275 0.2 . . . . . . 92 ASP N . 16617 1 1077 . 1 1 93 93 GLY H H 1 8.226 0.02 . . . . . . 93 GLY H . 16617 1 1078 . 1 1 93 93 GLY HA2 H 1 3.960 0.02 . . . . . . 93 GLY HA2 . 16617 1 1079 . 1 1 93 93 GLY HA3 H 1 3.845 0.02 . . . . . . 93 GLY HA3 . 16617 1 1080 . 1 1 93 93 GLY C C 13 176.800 0.3 . . . . . . 93 GLY C . 16617 1 1081 . 1 1 93 93 GLY CA C 13 46.900 0.3 . . . . . . 93 GLY CA . 16617 1 1082 . 1 1 93 93 GLY N N 15 110.695 0.2 . . . . . . 93 GLY N . 16617 1 1083 . 1 1 94 94 ASP H H 1 8.948 0.02 . . . . . . 94 ASP H . 16617 1 1084 . 1 1 94 94 ASP HA H 1 4.535 0.02 . . . . . . 94 ASP HA . 16617 1 1085 . 1 1 94 94 ASP HB2 H 1 2.800 0.02 . . . . . . 94 ASP HB2 . 16617 1 1086 . 1 1 94 94 ASP HB3 H 1 2.390 0.02 . . . . . . 94 ASP HB3 . 16617 1 1087 . 1 1 94 94 ASP C C 13 177.500 0.3 . . . . . . 94 ASP C . 16617 1 1088 . 1 1 94 94 ASP CA C 13 53.100 0.3 . . . . . . 94 ASP CA . 16617 1 1089 . 1 1 94 94 ASP CB C 13 40.340 0.3 . . . . . . 94 ASP CB . 16617 1 1090 . 1 1 94 94 ASP N N 15 120.996 0.2 . . . . . . 94 ASP N . 16617 1 1091 . 1 1 95 95 GLY H H 1 10.073 0.02 . . . . . . 95 GLY H . 16617 1 1092 . 1 1 95 95 GLY HA2 H 1 3.958 0.02 . . . . . . 95 GLY HA2 . 16617 1 1093 . 1 1 95 95 GLY HA3 H 1 3.508 0.02 . . . . . . 95 GLY HA3 . 16617 1 1094 . 1 1 95 95 GLY C C 13 172.700 0.3 . . . . . . 95 GLY C . 16617 1 1095 . 1 1 95 95 GLY CA C 13 46.300 0.3 . . . . . . 95 GLY CA . 16617 1 1096 . 1 1 95 95 GLY N N 15 112.499 0.2 . . . . . . 95 GLY N . 16617 1 1097 . 1 1 96 96 LYS H H 1 7.694 0.02 . . . . . . 96 LYS H . 16617 1 1098 . 1 1 96 96 LYS HA H 1 4.690 0.02 . . . . . . 96 LYS HA . 16617 1 1099 . 1 1 96 96 LYS HB2 H 1 1.610 0.02 . . . . . . 96 LYS HB2 . 16617 1 1100 . 1 1 96 96 LYS HB3 H 1 1.465 0.02 . . . . . . 96 LYS HB3 . 16617 1 1101 . 1 1 96 96 LYS HD2 H 1 0.942 0.02 . . . . . . 96 LYS HD2 . 16617 1 1102 . 1 1 96 96 LYS HD3 H 1 0.736 0.02 . . . . . . 96 LYS HD3 . 16617 1 1103 . 1 1 96 96 LYS HE2 H 1 3.430 0.02 . . . . . . 96 LYS HE2 . 16617 1 1104 . 1 1 96 96 LYS HE3 H 1 3.430 0.02 . . . . . . 96 LYS HE3 . 16617 1 1105 . 1 1 96 96 LYS HG2 H 1 0.910 0.02 . . . . . . 96 LYS HG2 . 16617 1 1106 . 1 1 96 96 LYS HG3 H 1 0.910 0.02 . . . . . . 96 LYS HG3 . 16617 1 1107 . 1 1 96 96 LYS C C 13 174.010 0.3 . . . . . . 96 LYS C . 16617 1 1108 . 1 1 96 96 LYS CA C 13 54.100 0.3 . . . . . . 96 LYS CA . 16617 1 1109 . 1 1 96 96 LYS CB C 13 35.750 0.3 . . . . . . 96 LYS CB . 16617 1 1110 . 1 1 96 96 LYS CD C 13 29.100 0.3 . . . . . . 96 LYS CD . 16617 1 1111 . 1 1 96 96 LYS CE C 13 41.580 0.3 . . . . . . 96 LYS CE . 16617 1 1112 . 1 1 96 96 LYS CG C 13 23.030 0.3 . . . . . . 96 LYS CG . 16617 1 1113 . 1 1 96 96 LYS N N 15 116.366 0.2 . . . . . . 96 LYS N . 16617 1 1114 . 1 1 97 97 ILE H H 1 8.461 0.02 . . . . . . 97 ILE H . 16617 1 1115 . 1 1 97 97 ILE HA H 1 4.671 0.02 . . . . . . 97 ILE HA . 16617 1 1116 . 1 1 97 97 ILE HB H 1 1.857 0.02 . . . . . . 97 ILE HB . 16617 1 1117 . 1 1 97 97 ILE HD11 H 1 0.635 0.02 . . . . . . 97 ILE MD . 16617 1 1118 . 1 1 97 97 ILE HD12 H 1 0.635 0.02 . . . . . . 97 ILE MD . 16617 1 1119 . 1 1 97 97 ILE HD13 H 1 0.635 0.02 . . . . . . 97 ILE MD . 16617 1 1120 . 1 1 97 97 ILE HG12 H 1 1.440 0.02 . . . . . . 97 ILE HG12 . 16617 1 1121 . 1 1 97 97 ILE HG13 H 1 0.733 0.02 . . . . . . 97 ILE HG13 . 16617 1 1122 . 1 1 97 97 ILE HG21 H 1 1.116 0.02 . . . . . . 97 ILE MG . 16617 1 1123 . 1 1 97 97 ILE HG22 H 1 1.116 0.02 . . . . . . 97 ILE MG . 16617 1 1124 . 1 1 97 97 ILE HG23 H 1 1.116 0.02 . . . . . . 97 ILE MG . 16617 1 1125 . 1 1 97 97 ILE C C 13 176.400 0.3 . . . . . . 97 ILE C . 16617 1 1126 . 1 1 97 97 ILE CA C 13 60.100 0.3 . . . . . . 97 ILE CA . 16617 1 1127 . 1 1 97 97 ILE CB C 13 40.100 0.3 . . . . . . 97 ILE CB . 16617 1 1128 . 1 1 97 97 ILE CD1 C 13 13.500 0.3 . . . . . . 97 ILE CD1 . 16617 1 1129 . 1 1 97 97 ILE CG1 C 13 27.200 0.3 . . . . . . 97 ILE CG1 . 16617 1 1130 . 1 1 97 97 ILE CG2 C 13 17.600 0.3 . . . . . . 97 ILE CG2 . 16617 1 1131 . 1 1 97 97 ILE N N 15 118.363 0.2 . . . . . . 97 ILE N . 16617 1 1132 . 1 1 98 98 GLY H H 1 9.579 0.02 . . . . . . 98 GLY H . 16617 1 1133 . 1 1 98 98 GLY HA2 H 1 4.880 0.02 . . . . . . 98 GLY HA2 . 16617 1 1134 . 1 1 98 98 GLY HA3 H 1 3.996 0.02 . . . . . . 98 GLY HA3 . 16617 1 1135 . 1 1 98 98 GLY C C 13 174.600 0.3 . . . . . . 98 GLY C . 16617 1 1136 . 1 1 98 98 GLY CA C 13 44.400 0.3 . . . . . . 98 GLY CA . 16617 1 1137 . 1 1 98 98 GLY N N 15 115.847 0.2 . . . . . . 98 GLY N . 16617 1 1138 . 1 1 99 99 VAL H H 1 8.143 0.02 . . . . . . 99 VAL H . 16617 1 1139 . 1 1 99 99 VAL HA H 1 2.455 0.02 . . . . . . 99 VAL HA . 16617 1 1140 . 1 1 99 99 VAL HB H 1 1.254 0.02 . . . . . . 99 VAL HB . 16617 1 1141 . 1 1 99 99 VAL HG11 H 1 0.476 0.02 . . . . . . 99 VAL MG1 . 16617 1 1142 . 1 1 99 99 VAL HG12 H 1 0.476 0.02 . . . . . . 99 VAL MG1 . 16617 1 1143 . 1 1 99 99 VAL HG13 H 1 0.476 0.02 . . . . . . 99 VAL MG1 . 16617 1 1144 . 1 1 99 99 VAL HG21 H 1 0.673 0.02 . . . . . . 99 VAL MG2 . 16617 1 1145 . 1 1 99 99 VAL HG22 H 1 0.673 0.02 . . . . . . 99 VAL MG2 . 16617 1 1146 . 1 1 99 99 VAL HG23 H 1 0.673 0.02 . . . . . . 99 VAL MG2 . 16617 1 1147 . 1 1 99 99 VAL C C 13 177.200 0.3 . . . . . . 99 VAL C . 16617 1 1148 . 1 1 99 99 VAL CA C 13 65.800 0.3 . . . . . . 99 VAL CA . 16617 1 1149 . 1 1 99 99 VAL CB C 13 30.980 0.3 . . . . . . 99 VAL CB . 16617 1 1150 . 1 1 99 99 VAL CG1 C 13 22.259 0.3 . . . . . . 99 VAL CG1 . 16617 1 1151 . 1 1 99 99 VAL CG2 C 13 19.700 0.3 . . . . . . 99 VAL CG2 . 16617 1 1152 . 1 1 99 99 VAL N N 15 120.169 0.2 . . . . . . 99 VAL N . 16617 1 1153 . 1 1 100 100 GLU H H 1 8.298 0.02 . . . . . . 100 GLU H . 16617 1 1154 . 1 1 100 100 GLU HA H 1 4.059 0.02 . . . . . . 100 GLU HA . 16617 1 1155 . 1 1 100 100 GLU HB2 H 1 1.975 0.02 . . . . . . 100 GLU HB2 . 16617 1 1156 . 1 1 100 100 GLU HB3 H 1 1.975 0.02 . . . . . . 100 GLU HB3 . 16617 1 1157 . 1 1 100 100 GLU HG2 H 1 2.270 0.02 . . . . . . 100 GLU HG2 . 16617 1 1158 . 1 1 100 100 GLU HG3 H 1 2.270 0.02 . . . . . . 100 GLU HG3 . 16617 1 1159 . 1 1 100 100 GLU C C 13 180.300 0.3 . . . . . . 100 GLU C . 16617 1 1160 . 1 1 100 100 GLU CA C 13 59.700 0.3 . . . . . . 100 GLU CA . 16617 1 1161 . 1 1 100 100 GLU CB C 13 28.150 0.3 . . . . . . 100 GLU CB . 16617 1 1162 . 1 1 100 100 GLU CG C 13 36.600 0.3 . . . . . . 100 GLU CG . 16617 1 1163 . 1 1 100 100 GLU N N 15 121.589 0.2 . . . . . . 100 GLU N . 16617 1 1164 . 1 1 101 101 GLU H H 1 7.996 0.02 . . . . . . 101 GLU H . 16617 1 1165 . 1 1 101 101 GLU HA H 1 4.103 0.02 . . . . . . 101 GLU HA . 16617 1 1166 . 1 1 101 101 GLU HB2 H 1 2.460 0.02 . . . . . . 101 GLU HB2 . 16617 1 1167 . 1 1 101 101 GLU HB3 H 1 2.460 0.02 . . . . . . 101 GLU HB3 . 16617 1 1168 . 1 1 101 101 GLU HG2 H 1 2.670 0.02 . . . . . . 101 GLU HG2 . 16617 1 1169 . 1 1 101 101 GLU HG3 H 1 2.450 0.02 . . . . . . 101 GLU HG3 . 16617 1 1170 . 1 1 101 101 GLU C C 13 180.200 0.3 . . . . . . 101 GLU C . 16617 1 1171 . 1 1 101 101 GLU CA C 13 59.050 0.3 . . . . . . 101 GLU CA . 16617 1 1172 . 1 1 101 101 GLU CB C 13 30.300 0.3 . . . . . . 101 GLU CB . 16617 1 1173 . 1 1 101 101 GLU CG C 13 37.850 0.3 . . . . . . 101 GLU CG . 16617 1 1174 . 1 1 101 101 GLU N N 15 121.301 0.2 . . . . . . 101 GLU N . 16617 1 1175 . 1 1 102 102 PHE H H 1 8.945 0.02 . . . . . . 102 PHE H . 16617 1 1176 . 1 1 102 102 PHE HA H 1 4.058 0.02 . . . . . . 102 PHE HA . 16617 1 1177 . 1 1 102 102 PHE HB2 H 1 3.155 0.02 . . . . . . 102 PHE HB2 . 16617 1 1178 . 1 1 102 102 PHE HB3 H 1 3.155 0.02 . . . . . . 102 PHE HB3 . 16617 1 1179 . 1 1 102 102 PHE HD1 H 1 7.099 0.02 . . . . . . 102 PHE HD1 . 16617 1 1180 . 1 1 102 102 PHE HD2 H 1 7.099 0.02 . . . . . . 102 PHE HD2 . 16617 1 1181 . 1 1 102 102 PHE HE1 H 1 7.307 0.02 . . . . . . 102 PHE HE1 . 16617 1 1182 . 1 1 102 102 PHE HE2 H 1 7.307 0.02 . . . . . . 102 PHE HE2 . 16617 1 1183 . 1 1 102 102 PHE C C 13 176.100 0.3 . . . . . . 102 PHE C . 16617 1 1184 . 1 1 102 102 PHE CA C 13 62.130 0.3 . . . . . . 102 PHE CA . 16617 1 1185 . 1 1 102 102 PHE CB C 13 40.240 0.3 . . . . . . 102 PHE CB . 16617 1 1186 . 1 1 102 102 PHE N N 15 122.386 0.2 . . . . . . 102 PHE N . 16617 1 1187 . 1 1 103 103 GLN H H 1 8.357 0.02 . . . . . . 103 GLN H . 16617 1 1188 . 1 1 103 103 GLN HA H 1 3.652 0.02 . . . . . . 103 GLN HA . 16617 1 1189 . 1 1 103 103 GLN HB2 H 1 2.090 0.02 . . . . . . 103 GLN HB2 . 16617 1 1190 . 1 1 103 103 GLN HB3 H 1 2.230 0.02 . . . . . . 103 GLN HB3 . 16617 1 1191 . 1 1 103 103 GLN HE21 H 1 6.480 0.02 . . . . . . 103 GLN HE21 . 16617 1 1192 . 1 1 103 103 GLN HE22 H 1 7.521 0.02 . . . . . . 103 GLN HE22 . 16617 1 1193 . 1 1 103 103 GLN HG2 H 1 2.260 0.02 . . . . . . 103 GLN HG2 . 16617 1 1194 . 1 1 103 103 GLN HG3 H 1 2.380 0.02 . . . . . . 103 GLN HG3 . 16617 1 1195 . 1 1 103 103 GLN C C 13 178.100 0.3 . . . . . . 103 GLN C . 16617 1 1196 . 1 1 103 103 GLN CA C 13 59.850 0.3 . . . . . . 103 GLN CA . 16617 1 1197 . 1 1 103 103 GLN CB C 13 28.450 0.3 . . . . . . 103 GLN CB . 16617 1 1198 . 1 1 103 103 GLN CG C 13 34.100 0.3 . . . . . . 103 GLN CG . 16617 1 1199 . 1 1 103 103 GLN N N 15 116.956 0.2 . . . . . . 103 GLN N . 16617 1 1200 . 1 1 103 103 GLN NE2 N 15 112.300 0.2 . . . . . . 103 GLN NE2 . 16617 1 1201 . 1 1 104 104 SER H H 1 7.820 0.02 . . . . . . 104 SER H . 16617 1 1202 . 1 1 104 104 SER HA H 1 4.125 0.02 . . . . . . 104 SER HA . 16617 1 1203 . 1 1 104 104 SER HB2 H 1 3.910 0.02 . . . . . . 104 SER HB2 . 16617 1 1204 . 1 1 104 104 SER HB3 H 1 3.910 0.02 . . . . . . 104 SER HB3 . 16617 1 1205 . 1 1 104 104 SER C C 13 176.100 0.3 . . . . . . 104 SER C . 16617 1 1206 . 1 1 104 104 SER CA C 13 61.550 0.3 . . . . . . 104 SER CA . 16617 1 1207 . 1 1 104 104 SER CB C 13 62.860 0.3 . . . . . . 104 SER CB . 16617 1 1208 . 1 1 104 104 SER N N 15 112.672 0.2 . . . . . . 104 SER N . 16617 1 1209 . 1 1 105 105 LEU H H 1 7.759 0.02 . . . . . . 105 LEU H . 16617 1 1210 . 1 1 105 105 LEU HA H 1 4.159 0.02 . . . . . . 105 LEU HA . 16617 1 1211 . 1 1 105 105 LEU HB2 H 1 1.750 0.02 . . . . . . 105 LEU HB2 . 16617 1 1212 . 1 1 105 105 LEU HB3 H 1 1.670 0.02 . . . . . . 105 LEU HB3 . 16617 1 1213 . 1 1 105 105 LEU HD11 H 1 0.555 0.02 . . . . . . 105 LEU MD1 . 16617 1 1214 . 1 1 105 105 LEU HD12 H 1 0.555 0.02 . . . . . . 105 LEU MD1 . 16617 1 1215 . 1 1 105 105 LEU HD13 H 1 0.555 0.02 . . . . . . 105 LEU MD1 . 16617 1 1216 . 1 1 105 105 LEU HD21 H 1 0.560 0.02 . . . . . . 105 LEU MD2 . 16617 1 1217 . 1 1 105 105 LEU HD22 H 1 0.560 0.02 . . . . . . 105 LEU MD2 . 16617 1 1218 . 1 1 105 105 LEU HD23 H 1 0.560 0.02 . . . . . . 105 LEU MD2 . 16617 1 1219 . 1 1 105 105 LEU HG H 1 1.641 0.02 . . . . . . 105 LEU HG . 16617 1 1220 . 1 1 105 105 LEU C C 13 178.300 0.3 . . . . . . 105 LEU C . 16617 1 1221 . 1 1 105 105 LEU CA C 13 57.200 0.3 . . . . . . 105 LEU CA . 16617 1 1222 . 1 1 105 105 LEU CB C 13 42.800 0.3 . . . . . . 105 LEU CB . 16617 1 1223 . 1 1 105 105 LEU CD1 C 13 24.340 0.3 . . . . . . 105 LEU CD1 . 16617 1 1224 . 1 1 105 105 LEU CD2 C 13 24.800 0.3 . . . . . . 105 LEU CD2 . 16617 1 1225 . 1 1 105 105 LEU CG C 13 26.300 0.3 . . . . . . 105 LEU CG . 16617 1 1226 . 1 1 105 105 LEU N N 15 122.074 0.2 . . . . . . 105 LEU N . 16617 1 1227 . 1 1 106 106 VAL H H 1 7.506 0.02 . . . . . . 106 VAL H . 16617 1 1228 . 1 1 106 106 VAL HA H 1 3.250 0.02 . . . . . . 106 VAL HA . 16617 1 1229 . 1 1 106 106 VAL HB H 1 1.619 0.02 . . . . . . 106 VAL HB . 16617 1 1230 . 1 1 106 106 VAL HG11 H 1 0.315 0.02 . . . . . . 106 VAL MG1 . 16617 1 1231 . 1 1 106 106 VAL HG12 H 1 0.315 0.02 . . . . . . 106 VAL MG1 . 16617 1 1232 . 1 1 106 106 VAL HG13 H 1 0.315 0.02 . . . . . . 106 VAL MG1 . 16617 1 1233 . 1 1 106 106 VAL HG21 H 1 -0.234 0.02 . . . . . . 106 VAL MG2 . 16617 1 1234 . 1 1 106 106 VAL HG22 H 1 -0.234 0.02 . . . . . . 106 VAL MG2 . 16617 1 1235 . 1 1 106 106 VAL HG23 H 1 -0.234 0.02 . . . . . . 106 VAL MG2 . 16617 1 1236 . 1 1 106 106 VAL C C 13 176.600 0.3 . . . . . . 106 VAL C . 16617 1 1237 . 1 1 106 106 VAL CA C 13 64.700 0.3 . . . . . . 106 VAL CA . 16617 1 1238 . 1 1 106 106 VAL CB C 13 31.600 0.3 . . . . . . 106 VAL CB . 16617 1 1239 . 1 1 106 106 VAL CG1 C 13 22.850 0.3 . . . . . . 106 VAL CG1 . 16617 1 1240 . 1 1 106 106 VAL CG2 C 13 21.950 0.3 . . . . . . 106 VAL CG2 . 16617 1 1241 . 1 1 106 106 VAL N N 15 115.531 0.2 . . . . . . 106 VAL N . 16617 1 1242 . 1 1 107 107 LYS H H 1 7.240 0.02 . . . . . . 107 LYS H . 16617 1 1243 . 1 1 107 107 LYS HA H 1 4.290 0.02 . . . . . . 107 LYS HA . 16617 1 1244 . 1 1 107 107 LYS HB2 H 1 1.740 0.02 . . . . . . 107 LYS HB2 . 16617 1 1245 . 1 1 107 107 LYS HB3 H 1 1.950 0.02 . . . . . . 107 LYS HB3 . 16617 1 1246 . 1 1 107 107 LYS HD2 H 1 1.670 0.02 . . . . . . 107 LYS HD2 . 16617 1 1247 . 1 1 107 107 LYS HD3 H 1 1.670 0.02 . . . . . . 107 LYS HD3 . 16617 1 1248 . 1 1 107 107 LYS HE2 H 1 2.960 0.02 . . . . . . 107 LYS HE2 . 16617 1 1249 . 1 1 107 107 LYS HE3 H 1 2.960 0.02 . . . . . . 107 LYS HE3 . 16617 1 1250 . 1 1 107 107 LYS HG2 H 1 1.440 0.02 . . . . . . 107 LYS HG2 . 16617 1 1251 . 1 1 107 107 LYS HG3 H 1 1.485 0.02 . . . . . . 107 LYS HG3 . 16617 1 1252 . 1 1 107 107 LYS C C 13 175.500 0.3 . . . . . . 107 LYS C . 16617 1 1253 . 1 1 107 107 LYS CA C 13 55.600 0.3 . . . . . . 107 LYS CA . 16617 1 1254 . 1 1 107 107 LYS CB C 13 32.300 0.3 . . . . . . 107 LYS CB . 16617 1 1255 . 1 1 107 107 LYS CD C 13 28.400 0.3 . . . . . . 107 LYS CD . 16617 1 1256 . 1 1 107 107 LYS CE C 13 42.100 0.3 . . . . . . 107 LYS CE . 16617 1 1257 . 1 1 107 107 LYS CG C 13 24.400 0.3 . . . . . . 107 LYS CG . 16617 1 1258 . 1 1 107 107 LYS N N 15 116.800 0.2 . . . . . . 107 LYS N . 16617 1 1259 . 1 1 108 108 ALA H H 1 7.560 0.02 . . . . . . 108 ALA H . 16617 1 1260 . 1 1 108 108 ALA HA H 1 4.054 0.02 . . . . . . 108 ALA HA . 16617 1 1261 . 1 1 108 108 ALA HB1 H 1 1.480 0.02 . . . . . . 108 ALA MB . 16617 1 1262 . 1 1 108 108 ALA HB2 H 1 1.480 0.02 . . . . . . 108 ALA MB . 16617 1 1263 . 1 1 108 108 ALA HB3 H 1 1.480 0.02 . . . . . . 108 ALA MB . 16617 1 1264 . 1 1 108 108 ALA C C 13 183.100 0.3 . . . . . . 108 ALA C . 16617 1 1265 . 1 1 108 108 ALA CA C 13 54.700 0.3 . . . . . . 108 ALA CA . 16617 1 1266 . 1 1 108 108 ALA CB C 13 19.700 0.3 . . . . . . 108 ALA CB . 16617 1 1267 . 1 1 108 108 ALA N N 15 129.800 0.2 . . . . . . 108 ALA N . 16617 1 stop_ save_