data_27683 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27683 _Entry.Title ; Euprosthenops australis major ampullate spidroin 1 N-terminal domain (NTD) mutant at pH7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-06 _Entry.Accession_date 2018-11-06 _Entry.Last_release_date 2018-11-06 _Entry.Original_release_date 2018-11-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Euprosthenops australis major ampullate spidroin 1 N-terminal domain (NTD) at pH7 with mutations M20L, M24L, M41L, M48L, M77L, M101L. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Benedikt Goretzki . BG . . 27683 2 Julia Heiby . JH . . 27683 3 'Ute A.' Hellmich . UAH . . 27683 4 Hannes Neuweiler . HN . . 27683 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Biomolecular Resonance (BMRZ) Frankfurt' . 27683 2 . 'Johannes Gutenberg University Mainz' . 27683 3 . 'Julius Maximilians University Wuerzburg' . 27683 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27683 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 27683 '15N chemical shifts' 126 27683 '1H chemical shifts' 827 27683 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 . . 2019-10-11 2018-11-06 update BMRB 'update entry citation' 27683 1 . . 2019-09-04 2018-11-06 original author 'original release' 27683 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27683 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31558722 _Citation.Full_citation . _Citation.Title ; Methionine in a protein hydrophobic core drives tight interactions required for assembly of spider silk ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4378 _Citation.Page_last 4378 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julia Heiby J. C. . . 27683 1 2 Benedikt Goretzki B. . . . 27683 1 3 Christopher Johnson C. M. . . 27683 1 4 Ute Hellmich U. A. . . 27683 1 5 Hannes Neuweiler H. . . . 27683 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27683 _Assembly.ID 1 _Assembly.Name 'MaSp1 L6-NTD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 NTD 1 $MaSp1_L6-NTD A . yes native no no . . . 27683 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'pH dependent silk formation' 27683 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MaSp1_L6-NTD _Entity.Sf_category entity _Entity.Sf_framecode MaSp1_L6-NTD _Entity.Entry_ID 27683 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MaSp1_L6-NTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGNSHTTPWTNPGLAENFL NSFLQGLSSMPGFTASQLDD LSTIAQSLVQSIQSLAAQGR TSPNKLQALNMAFASSLAEI AASEEGGGSLSTKTSSIASA LSNAFLQTTGVVNQPFINEI TQLVSMFAQAGMNDVSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two amino acids in the protein sequence (GS) are remains of a thrombin cleavage site.' _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain (NTD) of major ampullate spidroin 1 protein' _Entity.Mutation ; M20L M24L M41L M48L M77L M101L ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14071.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'pH dependent silk formation' 27683 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27683 1 2 . SER . 27683 1 3 . GLY . 27683 1 4 . ASN . 27683 1 5 . SER . 27683 1 6 . HIS . 27683 1 7 . THR . 27683 1 8 . THR . 27683 1 9 . PRO . 27683 1 10 . TRP . 27683 1 11 . THR . 27683 1 12 . ASN . 27683 1 13 . PRO . 27683 1 14 . GLY . 27683 1 15 . LEU . 27683 1 16 . ALA . 27683 1 17 . GLU . 27683 1 18 . ASN . 27683 1 19 . PHE . 27683 1 20 . LEU . 27683 1 21 . ASN . 27683 1 22 . SER . 27683 1 23 . PHE . 27683 1 24 . LEU . 27683 1 25 . GLN . 27683 1 26 . GLY . 27683 1 27 . LEU . 27683 1 28 . SER . 27683 1 29 . SER . 27683 1 30 . MET . 27683 1 31 . PRO . 27683 1 32 . GLY . 27683 1 33 . PHE . 27683 1 34 . THR . 27683 1 35 . ALA . 27683 1 36 . SER . 27683 1 37 . GLN . 27683 1 38 . LEU . 27683 1 39 . ASP . 27683 1 40 . ASP . 27683 1 41 . LEU . 27683 1 42 . SER . 27683 1 43 . THR . 27683 1 44 . ILE . 27683 1 45 . ALA . 27683 1 46 . GLN . 27683 1 47 . SER . 27683 1 48 . LEU . 27683 1 49 . VAL . 27683 1 50 . GLN . 27683 1 51 . SER . 27683 1 52 . ILE . 27683 1 53 . GLN . 27683 1 54 . SER . 27683 1 55 . LEU . 27683 1 56 . ALA . 27683 1 57 . ALA . 27683 1 58 . GLN . 27683 1 59 . GLY . 27683 1 60 . ARG . 27683 1 61 . THR . 27683 1 62 . SER . 27683 1 63 . PRO . 27683 1 64 . ASN . 27683 1 65 . LYS . 27683 1 66 . LEU . 27683 1 67 . GLN . 27683 1 68 . ALA . 27683 1 69 . LEU . 27683 1 70 . ASN . 27683 1 71 . MET . 27683 1 72 . ALA . 27683 1 73 . PHE . 27683 1 74 . ALA . 27683 1 75 . SER . 27683 1 76 . SER . 27683 1 77 . LEU . 27683 1 78 . ALA . 27683 1 79 . GLU . 27683 1 80 . ILE . 27683 1 81 . ALA . 27683 1 82 . ALA . 27683 1 83 . SER . 27683 1 84 . GLU . 27683 1 85 . GLU . 27683 1 86 . GLY . 27683 1 87 . GLY . 27683 1 88 . GLY . 27683 1 89 . SER . 27683 1 90 . LEU . 27683 1 91 . SER . 27683 1 92 . THR . 27683 1 93 . LYS . 27683 1 94 . THR . 27683 1 95 . SER . 27683 1 96 . SER . 27683 1 97 . ILE . 27683 1 98 . ALA . 27683 1 99 . SER . 27683 1 100 . ALA . 27683 1 101 . LEU . 27683 1 102 . SER . 27683 1 103 . ASN . 27683 1 104 . ALA . 27683 1 105 . PHE . 27683 1 106 . LEU . 27683 1 107 . GLN . 27683 1 108 . THR . 27683 1 109 . THR . 27683 1 110 . GLY . 27683 1 111 . VAL . 27683 1 112 . VAL . 27683 1 113 . ASN . 27683 1 114 . GLN . 27683 1 115 . PRO . 27683 1 116 . PHE . 27683 1 117 . ILE . 27683 1 118 . ASN . 27683 1 119 . GLU . 27683 1 120 . ILE . 27683 1 121 . THR . 27683 1 122 . GLN . 27683 1 123 . LEU . 27683 1 124 . VAL . 27683 1 125 . SER . 27683 1 126 . MET . 27683 1 127 . PHE . 27683 1 128 . ALA . 27683 1 129 . GLN . 27683 1 130 . ALA . 27683 1 131 . GLY . 27683 1 132 . MET . 27683 1 133 . ASN . 27683 1 134 . ASP . 27683 1 135 . VAL . 27683 1 136 . SER . 27683 1 137 . ALA . 27683 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27683 1 . SER 2 2 27683 1 . GLY 3 3 27683 1 . ASN 4 4 27683 1 . SER 5 5 27683 1 . HIS 6 6 27683 1 . THR 7 7 27683 1 . THR 8 8 27683 1 . PRO 9 9 27683 1 . TRP 10 10 27683 1 . THR 11 11 27683 1 . ASN 12 12 27683 1 . PRO 13 13 27683 1 . GLY 14 14 27683 1 . LEU 15 15 27683 1 . ALA 16 16 27683 1 . GLU 17 17 27683 1 . ASN 18 18 27683 1 . PHE 19 19 27683 1 . LEU 20 20 27683 1 . ASN 21 21 27683 1 . SER 22 22 27683 1 . PHE 23 23 27683 1 . LEU 24 24 27683 1 . GLN 25 25 27683 1 . GLY 26 26 27683 1 . LEU 27 27 27683 1 . SER 28 28 27683 1 . SER 29 29 27683 1 . MET 30 30 27683 1 . PRO 31 31 27683 1 . GLY 32 32 27683 1 . PHE 33 33 27683 1 . THR 34 34 27683 1 . ALA 35 35 27683 1 . SER 36 36 27683 1 . GLN 37 37 27683 1 . LEU 38 38 27683 1 . ASP 39 39 27683 1 . ASP 40 40 27683 1 . LEU 41 41 27683 1 . SER 42 42 27683 1 . THR 43 43 27683 1 . ILE 44 44 27683 1 . ALA 45 45 27683 1 . GLN 46 46 27683 1 . SER 47 47 27683 1 . LEU 48 48 27683 1 . VAL 49 49 27683 1 . GLN 50 50 27683 1 . SER 51 51 27683 1 . ILE 52 52 27683 1 . GLN 53 53 27683 1 . SER 54 54 27683 1 . LEU 55 55 27683 1 . ALA 56 56 27683 1 . ALA 57 57 27683 1 . GLN 58 58 27683 1 . GLY 59 59 27683 1 . ARG 60 60 27683 1 . THR 61 61 27683 1 . SER 62 62 27683 1 . PRO 63 63 27683 1 . ASN 64 64 27683 1 . LYS 65 65 27683 1 . LEU 66 66 27683 1 . GLN 67 67 27683 1 . ALA 68 68 27683 1 . LEU 69 69 27683 1 . ASN 70 70 27683 1 . MET 71 71 27683 1 . ALA 72 72 27683 1 . PHE 73 73 27683 1 . ALA 74 74 27683 1 . SER 75 75 27683 1 . SER 76 76 27683 1 . LEU 77 77 27683 1 . ALA 78 78 27683 1 . GLU 79 79 27683 1 . ILE 80 80 27683 1 . ALA 81 81 27683 1 . ALA 82 82 27683 1 . SER 83 83 27683 1 . GLU 84 84 27683 1 . GLU 85 85 27683 1 . GLY 86 86 27683 1 . GLY 87 87 27683 1 . GLY 88 88 27683 1 . SER 89 89 27683 1 . LEU 90 90 27683 1 . SER 91 91 27683 1 . THR 92 92 27683 1 . LYS 93 93 27683 1 . THR 94 94 27683 1 . SER 95 95 27683 1 . SER 96 96 27683 1 . ILE 97 97 27683 1 . ALA 98 98 27683 1 . SER 99 99 27683 1 . ALA 100 100 27683 1 . LEU 101 101 27683 1 . SER 102 102 27683 1 . ASN 103 103 27683 1 . ALA 104 104 27683 1 . PHE 105 105 27683 1 . LEU 106 106 27683 1 . GLN 107 107 27683 1 . THR 108 108 27683 1 . THR 109 109 27683 1 . GLY 110 110 27683 1 . VAL 111 111 27683 1 . VAL 112 112 27683 1 . ASN 113 113 27683 1 . GLN 114 114 27683 1 . PRO 115 115 27683 1 . PHE 116 116 27683 1 . ILE 117 117 27683 1 . ASN 118 118 27683 1 . GLU 119 119 27683 1 . ILE 120 120 27683 1 . THR 121 121 27683 1 . GLN 122 122 27683 1 . LEU 123 123 27683 1 . VAL 124 124 27683 1 . SER 125 125 27683 1 . MET 126 126 27683 1 . PHE 127 127 27683 1 . ALA 128 128 27683 1 . GLN 129 129 27683 1 . ALA 130 130 27683 1 . GLY 131 131 27683 1 . MET 132 132 27683 1 . ASN 133 133 27683 1 . ASP 134 134 27683 1 . VAL 135 135 27683 1 . SER 136 136 27683 1 . ALA 137 137 27683 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 27683 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MaSp1_L6-NTD . 332052 organism . 'Euprosthenops australis' 'Euprosthenops australis' . . Eukaryota Metazoa Euprosthenops australis . . . . . . . . . . . . . 27683 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 27683 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MaSp1_L6-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41 DE3 . . . . 'pRSET A' . . 'plasmid encodes for a His-tag with thrombin cleavage site' 27683 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27683 _Sample.ID 1 _Sample.Name . _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 'MaSp1 L6-NTD' '[U-13C; U-15N]' . . 1 $MaSp1_L6-NTD . . 300 . . uM . . . . 27683 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27683 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27683 1 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 27683 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 27683 1 pH 7.0 . pH 27683 1 pressure 1.0 . atm 27683 1 temperature 298 . K 27683 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27683 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27683 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27683 1 . 'peak picking' 27683 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27683 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27683 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27683 2 stop_ save_ save_CARA_NMR _Software.Sf_category software _Software.Sf_framecode CARA_NMR _Software.Entry_ID 27683 _Software.ID 3 _Software.Type . _Software.Name CARA_NMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27683 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27683 3 . 'peak picking' 27683 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av600 _NMR_spectrometer.Entry_ID 27683 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_av800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av800 _NMR_spectrometer.Entry_ID 27683 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27683 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 av600 Bruker Avance . 600 . . . 27683 1 2 av800 Bruker Avance . 800 . . . 27683 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 27683 _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 $av600 . . . . . . . . . . . . . . . . 27683 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $av800 . . . . . . . . . . . . . . . . 27683 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $av800 . . . . . . . . . . . . . . . . 27683 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 27683 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 27683 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27683 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27683 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27683 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 27683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27683 1 2 '3D 1H-15N NOESY' . . . 27683 1 3 '2D 1H-13C HSQC' . . . 27683 1 4 '3D 1H-13C NOESY aliphatic' . . . 27683 1 5 '3D HNCO' . . . 27683 1 6 '3D HN(CA)CO' . . . 27683 1 8 '3D HNCA' . . . 27683 1 9 '3D HNCACB' . . . 27683 1 10 '3D HCCH-TOCSY' . . . 27683 1 11 '3D HBHA(CO)NH' . . . 27683 1 12 '3D H(CCO)NH' . . . 27683 1 13 '3D C(CO)NH' . . . 27683 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPNMR . . 27683 1 2 $TOPSPIN . . 27683 1 3 $CARA_NMR . . 27683 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY HA2 H 1 4.039 0.000 . 2 . . . . . 3 Gly HA2 . 27683 1 2 . 1 1 3 3 GLY HA3 H 1 3.884 0.000 . 2 . . . . . 3 Gly HA3 . 27683 1 3 . 1 1 3 3 GLY CA C 13 45.223 0.000 . 1 . . . . . 3 Gly CA . 27683 1 4 . 1 1 4 4 ASN H H 1 7.985 0.000 . 1 . . . . . 4 Asn H . 27683 1 5 . 1 1 4 4 ASN HA H 1 4.527 0.000 . 1 . . . . . 4 Asn HA . 27683 1 6 . 1 1 4 4 ASN CA C 13 54.719 0.000 . 1 . . . . . 4 Asn CA . 27683 1 7 . 1 1 4 4 ASN N N 15 124.199 0.000 . 1 . . . . . 4 Asn N . 27683 1 8 . 1 1 6 6 HIS HA H 1 4.701 0.000 . 1 . . . . . 6 His HA . 27683 1 9 . 1 1 6 6 HIS HB2 H 1 3.101 0.000 . 2 . . . . . 6 His HB2 . 27683 1 10 . 1 1 6 6 HIS HB3 H 1 2.980 0.000 . 2 . . . . . 6 His HB3 . 27683 1 11 . 1 1 6 6 HIS HD2 H 1 6.954 0.000 . 1 . . . . . 6 His HD2 . 27683 1 12 . 1 1 6 6 HIS C C 13 175.579 0.000 . 1 . . . . . 6 His C . 27683 1 13 . 1 1 6 6 HIS CA C 13 55.846 0.000 . 1 . . . . . 6 His CA . 27683 1 14 . 1 1 6 6 HIS CB C 13 30.832 0.000 . 1 . . . . . 6 His CB . 27683 1 15 . 1 1 6 6 HIS CD2 C 13 117.010 0.000 . 1 . . . . . 6 His CD2 . 27683 1 16 . 1 1 7 7 THR H H 1 8.157 0.000 . 1 . . . . . 7 Thr H . 27683 1 17 . 1 1 7 7 THR HA H 1 4.302 0.000 . 1 . . . . . 7 Thr HA . 27683 1 18 . 1 1 7 7 THR HB H 1 4.144 0.000 . 1 . . . . . 7 Thr HB . 27683 1 19 . 1 1 7 7 THR HG21 H 1 1.110 0.000 . 1 . . . . . 7 Thr HG21 . 27683 1 20 . 1 1 7 7 THR HG22 H 1 1.110 0.000 . 1 . . . . . 7 Thr HG22 . 27683 1 21 . 1 1 7 7 THR HG23 H 1 1.110 0.000 . 1 . . . . . 7 Thr HG23 . 27683 1 22 . 1 1 7 7 THR C C 13 174.078 0.000 . 1 . . . . . 7 Thr C . 27683 1 23 . 1 1 7 7 THR CA C 13 62.219 0.000 . 1 . . . . . 7 Thr CA . 27683 1 24 . 1 1 7 7 THR CB C 13 69.816 0.000 . 1 . . . . . 7 Thr CB . 27683 1 25 . 1 1 7 7 THR CG2 C 13 21.673 0.000 . 1 . . . . . 7 Thr CG2 . 27683 1 26 . 1 1 7 7 THR N N 15 115.501 0.000 . 1 . . . . . 7 Thr N . 27683 1 27 . 1 1 8 8 THR H H 1 7.996 0.000 . 1 . . . . . 8 Thr H . 27683 1 28 . 1 1 8 8 THR HA H 1 4.201 0.000 . 1 . . . . . 8 Thr HA . 27683 1 29 . 1 1 8 8 THR HB H 1 3.835 0.000 . 1 . . . . . 8 Thr HB . 27683 1 30 . 1 1 8 8 THR HG21 H 1 1.216 0.000 . 1 . . . . . 8 Thr HG21 . 27683 1 31 . 1 1 8 8 THR HG22 H 1 1.216 0.000 . 1 . . . . . 8 Thr HG22 . 27683 1 32 . 1 1 8 8 THR HG23 H 1 1.216 0.000 . 1 . . . . . 8 Thr HG23 . 27683 1 33 . 1 1 8 8 THR C C 13 172.560 0.000 . 1 . . . . . 8 Thr C . 27683 1 34 . 1 1 8 8 THR CA C 13 58.024 0.000 . 1 . . . . . 8 Thr CA . 27683 1 35 . 1 1 8 8 THR CB C 13 69.250 0.000 . 1 . . . . . 8 Thr CB . 27683 1 36 . 1 1 8 8 THR CG2 C 13 21.888 0.000 . 1 . . . . . 8 Thr CG2 . 27683 1 37 . 1 1 8 8 THR N N 15 116.994 0.000 . 1 . . . . . 8 Thr N . 27683 1 38 . 1 1 9 9 PRO HA H 1 3.920 0.000 . 1 . . . . . 9 Pro HA . 27683 1 39 . 1 1 9 9 PRO HB2 H 1 0.615 0.000 . 2 . . . . . 9 Pro HB2 . 27683 1 40 . 1 1 9 9 PRO HB3 H 1 0.594 0.000 . 2 . . . . . 9 Pro HB3 . 27683 1 41 . 1 1 9 9 PRO HG2 H 1 -0.580 0.000 . 2 . . . . . 9 Pro HG2 . 27683 1 42 . 1 1 9 9 PRO HG3 H 1 -0.880 0.000 . 2 . . . . . 9 Pro HG3 . 27683 1 43 . 1 1 9 9 PRO HD2 H 1 2.030 0.000 . 2 . . . . . 9 Pro HD2 . 27683 1 44 . 1 1 9 9 PRO HD3 H 1 1.942 0.000 . 2 . . . . . 9 Pro HD3 . 27683 1 45 . 1 1 9 9 PRO C C 13 174.091 0.000 . 1 . . . . . 9 Pro C . 27683 1 46 . 1 1 9 9 PRO CA C 13 62.781 0.000 . 1 . . . . . 9 Pro CA . 27683 1 47 . 1 1 9 9 PRO CB C 13 30.579 0.000 . 1 . . . . . 9 Pro CB . 27683 1 48 . 1 1 9 9 PRO CG C 13 25.156 0.000 . 1 . . . . . 9 Pro CG . 27683 1 49 . 1 1 9 9 PRO CD C 13 49.327 0.000 . 1 . . . . . 9 Pro CD . 27683 1 50 . 1 1 10 10 TRP H H 1 6.763 0.000 . 1 . . . . . 10 Trp H . 27683 1 51 . 1 1 10 10 TRP HA H 1 4.937 0.000 . 1 . . . . . 10 Trp HA . 27683 1 52 . 1 1 10 10 TRP HB2 H 1 3.416 0.000 . 2 . . . . . 10 Trp HB2 . 27683 1 53 . 1 1 10 10 TRP HB3 H 1 2.908 0.000 . 2 . . . . . 10 Trp HB3 . 27683 1 54 . 1 1 10 10 TRP HD1 H 1 7.133 0.000 . 1 . . . . . 10 Trp HD1 . 27683 1 55 . 1 1 10 10 TRP HE1 H 1 10.830 0.000 . 1 . . . . . 10 Trp HE1 . 27683 1 56 . 1 1 10 10 TRP C C 13 175.797 0.000 . 1 . . . . . 10 Trp C . 27683 1 57 . 1 1 10 10 TRP CA C 13 54.003 0.000 . 1 . . . . . 10 Trp CA . 27683 1 58 . 1 1 10 10 TRP CB C 13 31.209 0.000 . 1 . . . . . 10 Trp CB . 27683 1 59 . 1 1 10 10 TRP CD1 C 13 129.760 0.000 . 1 . . . . . 10 Trp CD1 . 27683 1 60 . 1 1 10 10 TRP N N 15 111.495 0.000 . 1 . . . . . 10 Trp N . 27683 1 61 . 1 1 10 10 TRP NE1 N 15 129.714 0.000 . 1 . . . . . 10 Trp NE1 . 27683 1 62 . 1 1 11 11 THR H H 1 7.152 0.000 . 1 . . . . . 11 Thr H . 27683 1 63 . 1 1 11 11 THR HA H 1 3.888 0.000 . 1 . . . . . 11 Thr HA . 27683 1 64 . 1 1 11 11 THR HB H 1 4.255 0.000 . 1 . . . . . 11 Thr HB . 27683 1 65 . 1 1 11 11 THR HG21 H 1 1.273 0.000 . 1 . . . . . 11 Thr HG21 . 27683 1 66 . 1 1 11 11 THR HG22 H 1 1.273 0.000 . 1 . . . . . 11 Thr HG22 . 27683 1 67 . 1 1 11 11 THR HG23 H 1 1.273 0.000 . 1 . . . . . 11 Thr HG23 . 27683 1 68 . 1 1 11 11 THR C C 13 173.972 0.000 . 1 . . . . . 11 Thr C . 27683 1 69 . 1 1 11 11 THR CA C 13 64.239 0.000 . 1 . . . . . 11 Thr CA . 27683 1 70 . 1 1 11 11 THR CB C 13 69.326 0.000 . 1 . . . . . 11 Thr CB . 27683 1 71 . 1 1 11 11 THR CG2 C 13 22.064 0.000 . 1 . . . . . 11 Thr CG2 . 27683 1 72 . 1 1 11 11 THR N N 15 106.341 0.000 . 1 . . . . . 11 Thr N . 27683 1 73 . 1 1 12 12 ASN H H 1 7.290 0.000 . 1 . . . . . 12 Asn H . 27683 1 74 . 1 1 12 12 ASN HA H 1 5.004 0.000 . 1 . . . . . 12 Asn HA . 27683 1 75 . 1 1 12 12 ASN HB2 H 1 2.883 0.000 . 2 . . . . . 12 Asn HB2 . 27683 1 76 . 1 1 12 12 ASN HB3 H 1 2.888 0.000 . 2 . . . . . 12 Asn HB3 . 27683 1 77 . 1 1 12 12 ASN C C 13 172.717 0.000 . 1 . . . . . 12 Asn C . 27683 1 78 . 1 1 12 12 ASN CA C 13 51.482 0.000 . 1 . . . . . 12 Asn CA . 27683 1 79 . 1 1 12 12 ASN CB C 13 40.371 0.000 . 1 . . . . . 12 Asn CB . 27683 1 80 . 1 1 12 12 ASN N N 15 115.009 0.000 . 1 . . . . . 12 Asn N . 27683 1 81 . 1 1 13 13 PRO HA H 1 4.211 0.000 . 1 . . . . . 13 Pro HA . 27683 1 82 . 1 1 13 13 PRO HB2 H 1 2.143 0.000 . 2 . . . . . 13 Pro HB2 . 27683 1 83 . 1 1 13 13 PRO HB3 H 1 2.166 0.000 . 2 . . . . . 13 Pro HB3 . 27683 1 84 . 1 1 13 13 PRO HG2 H 1 2.305 0.000 . 2 . . . . . 13 Pro HG2 . 27683 1 85 . 1 1 13 13 PRO HG3 H 1 1.893 0.000 . 2 . . . . . 13 Pro HG3 . 27683 1 86 . 1 1 13 13 PRO HD2 H 1 3.964 0.000 . 2 . . . . . 13 Pro HD2 . 27683 1 87 . 1 1 13 13 PRO HD3 H 1 3.972 0.000 . 2 . . . . . 13 Pro HD3 . 27683 1 88 . 1 1 13 13 PRO C C 13 177.790 0.000 . 1 . . . . . 13 Pro C . 27683 1 89 . 1 1 13 13 PRO CA C 13 65.761 0.000 . 1 . . . . . 13 Pro CA . 27683 1 90 . 1 1 13 13 PRO CB C 13 32.145 0.000 . 1 . . . . . 13 Pro CB . 27683 1 91 . 1 1 13 13 PRO CG C 13 27.708 0.000 . 1 . . . . . 13 Pro CG . 27683 1 92 . 1 1 13 13 PRO CD C 13 50.728 0.000 . 1 . . . . . 13 Pro CD . 27683 1 93 . 1 1 14 14 GLY H H 1 8.380 0.000 . 1 . . . . . 14 Gly H . 27683 1 94 . 1 1 14 14 GLY HA2 H 1 3.962 0.000 . 2 . . . . . 14 Gly HA2 . 27683 1 95 . 1 1 14 14 GLY HA3 H 1 3.889 0.000 . 2 . . . . . 14 Gly HA3 . 27683 1 96 . 1 1 14 14 GLY C C 13 175.978 0.000 . 1 . . . . . 14 Gly C . 27683 1 97 . 1 1 14 14 GLY CA C 13 47.185 0.000 . 1 . . . . . 14 Gly CA . 27683 1 98 . 1 1 14 14 GLY N N 15 108.973 0.000 . 1 . . . . . 14 Gly N . 27683 1 99 . 1 1 15 15 LEU H H 1 7.977 0.000 . 1 . . . . . 15 Leu H . 27683 1 100 . 1 1 15 15 LEU HA H 1 4.296 0.000 . 1 . . . . . 15 Leu HA . 27683 1 101 . 1 1 15 15 LEU HB2 H 1 1.723 0.000 . 2 . . . . . 15 Leu HB2 . 27683 1 102 . 1 1 15 15 LEU HB3 H 1 1.578 0.000 . 2 . . . . . 15 Leu HB3 . 27683 1 103 . 1 1 15 15 LEU HD11 H 1 0.802 0.000 . 2 . . . . . 15 Leu HD11 . 27683 1 104 . 1 1 15 15 LEU HD12 H 1 0.802 0.000 . 2 . . . . . 15 Leu HD12 . 27683 1 105 . 1 1 15 15 LEU HD13 H 1 0.802 0.000 . 2 . . . . . 15 Leu HD13 . 27683 1 106 . 1 1 15 15 LEU HD21 H 1 0.942 0.000 . 2 . . . . . 15 Leu HD21 . 27683 1 107 . 1 1 15 15 LEU HD22 H 1 0.942 0.000 . 2 . . . . . 15 Leu HD22 . 27683 1 108 . 1 1 15 15 LEU HD23 H 1 0.942 0.000 . 2 . . . . . 15 Leu HD23 . 27683 1 109 . 1 1 15 15 LEU C C 13 178.622 0.000 . 1 . . . . . 15 Leu C . 27683 1 110 . 1 1 15 15 LEU CA C 13 57.617 0.000 . 1 . . . . . 15 Leu CA . 27683 1 111 . 1 1 15 15 LEU CB C 13 41.668 0.000 . 1 . . . . . 15 Leu CB . 27683 1 112 . 1 1 15 15 LEU CD1 C 13 25.739 0.000 . 2 . . . . . 15 Leu CD1 . 27683 1 113 . 1 1 15 15 LEU CD2 C 13 23.241 0.000 . 2 . . . . . 15 Leu CD2 . 27683 1 114 . 1 1 15 15 LEU N N 15 124.723 0.000 . 1 . . . . . 15 Leu N . 27683 1 115 . 1 1 16 16 ALA H H 1 8.374 0.000 . 1 . . . . . 16 Ala H . 27683 1 116 . 1 1 16 16 ALA HA H 1 3.985 0.000 . 1 . . . . . 16 Ala HA . 27683 1 117 . 1 1 16 16 ALA HB1 H 1 1.710 0.000 . 1 . . . . . 16 Ala HB1 . 27683 1 118 . 1 1 16 16 ALA HB2 H 1 1.710 0.000 . 1 . . . . . 16 Ala HB2 . 27683 1 119 . 1 1 16 16 ALA HB3 H 1 1.710 0.000 . 1 . . . . . 16 Ala HB3 . 27683 1 120 . 1 1 16 16 ALA C C 13 179.167 0.000 . 1 . . . . . 16 Ala C . 27683 1 121 . 1 1 16 16 ALA CA C 13 56.306 0.000 . 1 . . . . . 16 Ala CA . 27683 1 122 . 1 1 16 16 ALA CB C 13 19.809 0.000 . 1 . . . . . 16 Ala CB . 27683 1 123 . 1 1 16 16 ALA N N 15 121.118 0.000 . 1 . . . . . 16 Ala N . 27683 1 124 . 1 1 17 17 GLU H H 1 8.197 0.000 . 1 . . . . . 17 Glu H . 27683 1 125 . 1 1 17 17 GLU HA H 1 3.897 0.000 . 1 . . . . . 17 Glu HA . 27683 1 126 . 1 1 17 17 GLU HB2 H 1 2.168 0.000 . 2 . . . . . 17 Glu HB2 . 27683 1 127 . 1 1 17 17 GLU HB3 H 1 2.202 0.000 . 2 . . . . . 17 Glu HB3 . 27683 1 128 . 1 1 17 17 GLU HG2 H 1 2.274 0.000 . 2 . . . . . 17 Glu HG2 . 27683 1 129 . 1 1 17 17 GLU HG3 H 1 2.300 0.000 . 2 . . . . . 17 Glu HG3 . 27683 1 130 . 1 1 17 17 GLU C C 13 178.231 0.000 . 1 . . . . . 17 Glu C . 27683 1 131 . 1 1 17 17 GLU CA C 13 59.807 0.000 . 1 . . . . . 17 Glu CA . 27683 1 132 . 1 1 17 17 GLU CB C 13 29.951 0.000 . 1 . . . . . 17 Glu CB . 27683 1 133 . 1 1 17 17 GLU CG C 13 36.124 0.000 . 1 . . . . . 17 Glu CG . 27683 1 134 . 1 1 17 17 GLU N N 15 117.004 0.000 . 1 . . . . . 17 Glu N . 27683 1 135 . 1 1 18 18 ASN H H 1 8.047 0.000 . 1 . . . . . 18 Asn H . 27683 1 136 . 1 1 18 18 ASN HA H 1 4.539 0.000 . 1 . . . . . 18 Asn HA . 27683 1 137 . 1 1 18 18 ASN HB2 H 1 2.870 0.000 . 2 . . . . . 18 Asn HB2 . 27683 1 138 . 1 1 18 18 ASN HB3 H 1 2.995 0.000 . 2 . . . . . 18 Asn HB3 . 27683 1 139 . 1 1 18 18 ASN C C 13 178.192 0.000 . 1 . . . . . 18 Asn C . 27683 1 140 . 1 1 18 18 ASN CA C 13 56.255 0.000 . 1 . . . . . 18 Asn CA . 27683 1 141 . 1 1 18 18 ASN CB C 13 38.267 0.000 . 1 . . . . . 18 Asn CB . 27683 1 142 . 1 1 18 18 ASN N N 15 118.314 0.000 . 1 . . . . . 18 Asn N . 27683 1 143 . 1 1 19 19 PHE H H 1 9.533 0.000 . 1 . . . . . 19 Phe H . 27683 1 144 . 1 1 19 19 PHE HA H 1 3.897 0.000 . 1 . . . . . 19 Phe HA . 27683 1 145 . 1 1 19 19 PHE HB2 H 1 2.908 0.000 . 2 . . . . . 19 Phe HB2 . 27683 1 146 . 1 1 19 19 PHE HB3 H 1 3.121 0.000 . 2 . . . . . 19 Phe HB3 . 27683 1 147 . 1 1 19 19 PHE HD1 H 1 6.534 0.000 . 1 . . . . . 19 Phe HD1 . 27683 1 148 . 1 1 19 19 PHE HD2 H 1 6.534 0.000 . 1 . . . . . 19 Phe HD2 . 27683 1 149 . 1 1 19 19 PHE C C 13 176.859 0.000 . 1 . . . . . 19 Phe C . 27683 1 150 . 1 1 19 19 PHE CA C 13 61.965 0.000 . 1 . . . . . 19 Phe CA . 27683 1 151 . 1 1 19 19 PHE CB C 13 39.521 0.000 . 1 . . . . . 19 Phe CB . 27683 1 152 . 1 1 19 19 PHE N N 15 122.603 0.000 . 1 . . . . . 19 Phe N . 27683 1 153 . 1 1 20 20 LEU H H 1 9.000 0.000 . 1 . . . . . 20 Leu H . 27683 1 154 . 1 1 20 20 LEU HA H 1 3.992 0.000 . 1 . . . . . 20 Leu HA . 27683 1 155 . 1 1 20 20 LEU HB2 H 1 1.425 0.000 . 2 . . . . . 20 Leu HB2 . 27683 1 156 . 1 1 20 20 LEU HB3 H 1 2.168 0.000 . 2 . . . . . 20 Leu HB3 . 27683 1 157 . 1 1 20 20 LEU HG H 1 2.070 0.000 . 1 . . . . . 20 Leu HG . 27683 1 158 . 1 1 20 20 LEU HD11 H 1 0.987 0.000 . 2 . . . . . 20 Leu HD11 . 27683 1 159 . 1 1 20 20 LEU HD12 H 1 0.987 0.000 . 2 . . . . . 20 Leu HD12 . 27683 1 160 . 1 1 20 20 LEU HD13 H 1 0.987 0.000 . 2 . . . . . 20 Leu HD13 . 27683 1 161 . 1 1 20 20 LEU HD21 H 1 0.858 0.000 . 2 . . . . . 20 Leu HD21 . 27683 1 162 . 1 1 20 20 LEU HD22 H 1 0.858 0.000 . 2 . . . . . 20 Leu HD22 . 27683 1 163 . 1 1 20 20 LEU HD23 H 1 0.858 0.000 . 2 . . . . . 20 Leu HD23 . 27683 1 164 . 1 1 20 20 LEU C C 13 178.821 0.000 . 1 . . . . . 20 Leu C . 27683 1 165 . 1 1 20 20 LEU CA C 13 58.353 0.000 . 1 . . . . . 20 Leu CA . 27683 1 166 . 1 1 20 20 LEU CB C 13 41.575 0.000 . 1 . . . . . 20 Leu CB . 27683 1 167 . 1 1 20 20 LEU CG C 13 28.400 0.000 . 1 . . . . . 20 Leu CG . 27683 1 168 . 1 1 20 20 LEU CD1 C 13 26.217 0.000 . 2 . . . . . 20 Leu CD1 . 27683 1 169 . 1 1 20 20 LEU CD2 C 13 23.527 0.000 . 2 . . . . . 20 Leu CD2 . 27683 1 170 . 1 1 20 20 LEU N N 15 120.277 0.000 . 1 . . . . . 20 Leu N . 27683 1 171 . 1 1 21 21 ASN H H 1 8.531 0.000 . 1 . . . . . 21 Asn H . 27683 1 172 . 1 1 21 21 ASN HA H 1 4.548 0.000 . 1 . . . . . 21 Asn HA . 27683 1 173 . 1 1 21 21 ASN HB2 H 1 2.984 0.000 . 2 . . . . . 21 Asn HB2 . 27683 1 174 . 1 1 21 21 ASN HB3 H 1 2.799 0.000 . 2 . . . . . 21 Asn HB3 . 27683 1 175 . 1 1 21 21 ASN C C 13 178.359 0.000 . 1 . . . . . 21 Asn C . 27683 1 176 . 1 1 21 21 ASN CA C 13 56.499 0.000 . 1 . . . . . 21 Asn CA . 27683 1 177 . 1 1 21 21 ASN CB C 13 37.826 0.000 . 1 . . . . . 21 Asn CB . 27683 1 178 . 1 1 21 21 ASN N N 15 118.093 0.000 . 1 . . . . . 21 Asn N . 27683 1 179 . 1 1 22 22 SER H H 1 8.000 0.000 . 1 . . . . . 22 Ser H . 27683 1 180 . 1 1 22 22 SER HA H 1 4.175 0.000 . 1 . . . . . 22 Ser HA . 27683 1 181 . 1 1 22 22 SER HB2 H 1 3.918 0.000 . 2 . . . . . 22 Ser HB2 . 27683 1 182 . 1 1 22 22 SER HB3 H 1 3.746 0.000 . 2 . . . . . 22 Ser HB3 . 27683 1 183 . 1 1 22 22 SER C C 13 178.298 0.000 . 1 . . . . . 22 Ser C . 27683 1 184 . 1 1 22 22 SER CA C 13 62.069 0.000 . 1 . . . . . 22 Ser CA . 27683 1 185 . 1 1 22 22 SER CB C 13 62.894 0.000 . 1 . . . . . 22 Ser CB . 27683 1 186 . 1 1 22 22 SER N N 15 116.083 0.000 . 1 . . . . . 22 Ser N . 27683 1 187 . 1 1 23 23 PHE H H 1 8.808 0.000 . 1 . . . . . 23 Phe H . 27683 1 188 . 1 1 23 23 PHE HA H 1 4.029 0.000 . 1 . . . . . 23 Phe HA . 27683 1 189 . 1 1 23 23 PHE HB2 H 1 3.234 0.000 . 2 . . . . . 23 Phe HB2 . 27683 1 190 . 1 1 23 23 PHE HB3 H 1 2.541 0.000 . 2 . . . . . 23 Phe HB3 . 27683 1 191 . 1 1 23 23 PHE HD1 H 1 6.996 0.000 . 1 . . . . . 23 Phe HD1 . 27683 1 192 . 1 1 23 23 PHE HD2 H 1 6.996 0.000 . 1 . . . . . 23 Phe HD2 . 27683 1 193 . 1 1 23 23 PHE C C 13 175.304 0.000 . 1 . . . . . 23 Phe C . 27683 1 194 . 1 1 23 23 PHE CA C 13 60.716 0.000 . 1 . . . . . 23 Phe CA . 27683 1 195 . 1 1 23 23 PHE CB C 13 38.756 0.000 . 1 . . . . . 23 Phe CB . 27683 1 196 . 1 1 23 23 PHE N N 15 124.415 0.000 . 1 . . . . . 23 Phe N . 27683 1 197 . 1 1 24 24 LEU H H 1 8.507 0.000 . 1 . . . . . 24 Leu H . 27683 1 198 . 1 1 24 24 LEU HA H 1 3.444 0.000 . 1 . . . . . 24 Leu HA . 27683 1 199 . 1 1 24 24 LEU HB2 H 1 1.917 0.000 . 2 . . . . . 24 Leu HB2 . 27683 1 200 . 1 1 24 24 LEU HB3 H 1 1.454 0.000 . 2 . . . . . 24 Leu HB3 . 27683 1 201 . 1 1 24 24 LEU HG H 1 1.966 0.000 . 1 . . . . . 24 Leu HG . 27683 1 202 . 1 1 24 24 LEU HD11 H 1 0.952 0.000 . 2 . . . . . 24 Leu HD11 . 27683 1 203 . 1 1 24 24 LEU HD12 H 1 0.952 0.000 . 2 . . . . . 24 Leu HD12 . 27683 1 204 . 1 1 24 24 LEU HD13 H 1 0.952 0.000 . 2 . . . . . 24 Leu HD13 . 27683 1 205 . 1 1 24 24 LEU HD21 H 1 0.782 0.000 . 2 . . . . . 24 Leu HD21 . 27683 1 206 . 1 1 24 24 LEU HD22 H 1 0.782 0.000 . 2 . . . . . 24 Leu HD22 . 27683 1 207 . 1 1 24 24 LEU HD23 H 1 0.782 0.000 . 2 . . . . . 24 Leu HD23 . 27683 1 208 . 1 1 24 24 LEU C C 13 179.819 0.000 . 1 . . . . . 24 Leu C . 27683 1 209 . 1 1 24 24 LEU CA C 13 57.973 0.000 . 1 . . . . . 24 Leu CA . 27683 1 210 . 1 1 24 24 LEU CB C 13 41.107 0.000 . 1 . . . . . 24 Leu CB . 27683 1 211 . 1 1 24 24 LEU CG C 13 27.541 0.000 . 1 . . . . . 24 Leu CG . 27683 1 212 . 1 1 24 24 LEU CD1 C 13 25.450 0.000 . 2 . . . . . 24 Leu CD1 . 27683 1 213 . 1 1 24 24 LEU CD2 C 13 23.621 0.000 . 2 . . . . . 24 Leu CD2 . 27683 1 214 . 1 1 24 24 LEU N N 15 119.722 0.000 . 1 . . . . . 24 Leu N . 27683 1 215 . 1 1 25 25 GLN H H 1 8.083 0.000 . 1 . . . . . 25 Gln H . 27683 1 216 . 1 1 25 25 GLN HA H 1 3.935 0.000 . 1 . . . . . 25 Gln HA . 27683 1 217 . 1 1 25 25 GLN HB2 H 1 2.129 0.000 . 2 . . . . . 25 Gln HB2 . 27683 1 218 . 1 1 25 25 GLN HB3 H 1 2.115 0.000 . 2 . . . . . 25 Gln HB3 . 27683 1 219 . 1 1 25 25 GLN HG2 H 1 2.463 0.000 . 2 . . . . . 25 Gln HG2 . 27683 1 220 . 1 1 25 25 GLN HG3 H 1 2.347 0.000 . 2 . . . . . 25 Gln HG3 . 27683 1 221 . 1 1 25 25 GLN C C 13 180.103 0.000 . 1 . . . . . 25 Gln C . 27683 1 222 . 1 1 25 25 GLN CA C 13 58.998 0.000 . 1 . . . . . 25 Gln CA . 27683 1 223 . 1 1 25 25 GLN CB C 13 28.141 0.000 . 1 . . . . . 25 Gln CB . 27683 1 224 . 1 1 25 25 GLN CG C 13 33.816 0.000 . 1 . . . . . 25 Gln CG . 27683 1 225 . 1 1 25 25 GLN N N 15 119.195 0.000 . 1 . . . . . 25 Gln N . 27683 1 226 . 1 1 26 26 GLY H H 1 8.098 0.000 . 1 . . . . . 26 Gly H . 27683 1 227 . 1 1 26 26 GLY HA2 H 1 4.060 0.000 . 2 . . . . . 26 Gly HA2 . 27683 1 228 . 1 1 26 26 GLY HA3 H 1 3.800 0.000 . 2 . . . . . 26 Gly HA3 . 27683 1 229 . 1 1 26 26 GLY C C 13 176.488 0.000 . 1 . . . . . 26 Gly C . 27683 1 230 . 1 1 26 26 GLY CA C 13 46.878 0.000 . 1 . . . . . 26 Gly CA . 27683 1 231 . 1 1 26 26 GLY N N 15 108.634 0.000 . 1 . . . . . 26 Gly N . 27683 1 232 . 1 1 27 27 LEU H H 1 8.148 0.000 . 1 . . . . . 27 Leu H . 27683 1 233 . 1 1 27 27 LEU HA H 1 3.746 0.000 . 1 . . . . . 27 Leu HA . 27683 1 234 . 1 1 27 27 LEU HB2 H 1 0.934 0.000 . 2 . . . . . 27 Leu HB2 . 27683 1 235 . 1 1 27 27 LEU HB3 H 1 0.872 0.000 . 2 . . . . . 27 Leu HB3 . 27683 1 236 . 1 1 27 27 LEU HG H 1 0.813 0.000 . 1 . . . . . 27 Leu HG . 27683 1 237 . 1 1 27 27 LEU HD11 H 1 0.104 0.000 . 2 . . . . . 27 Leu HD11 . 27683 1 238 . 1 1 27 27 LEU HD12 H 1 0.104 0.000 . 2 . . . . . 27 Leu HD12 . 27683 1 239 . 1 1 27 27 LEU HD13 H 1 0.104 0.000 . 2 . . . . . 27 Leu HD13 . 27683 1 240 . 1 1 27 27 LEU HD21 H 1 0.009 0.000 . 2 . . . . . 27 Leu HD21 . 27683 1 241 . 1 1 27 27 LEU HD22 H 1 0.009 0.000 . 2 . . . . . 27 Leu HD22 . 27683 1 242 . 1 1 27 27 LEU HD23 H 1 0.009 0.000 . 2 . . . . . 27 Leu HD23 . 27683 1 243 . 1 1 27 27 LEU C C 13 178.602 0.000 . 1 . . . . . 27 Leu C . 27683 1 244 . 1 1 27 27 LEU CA C 13 56.975 0.000 . 1 . . . . . 27 Leu CA . 27683 1 245 . 1 1 27 27 LEU CB C 13 42.070 0.000 . 1 . . . . . 27 Leu CB . 27683 1 246 . 1 1 27 27 LEU CG C 13 25.615 0.000 . 1 . . . . . 27 Leu CG . 27683 1 247 . 1 1 27 27 LEU CD1 C 13 24.781 0.000 . 2 . . . . . 27 Leu CD1 . 27683 1 248 . 1 1 27 27 LEU CD2 C 13 24.036 0.000 . 2 . . . . . 27 Leu CD2 . 27683 1 249 . 1 1 27 27 LEU N N 15 122.431 0.000 . 1 . . . . . 27 Leu N . 27683 1 250 . 1 1 28 28 SER H H 1 7.577 0.000 . 1 . . . . . 28 Ser H . 27683 1 251 . 1 1 28 28 SER HA H 1 4.083 0.000 . 1 . . . . . 28 Ser HA . 27683 1 252 . 1 1 28 28 SER HB2 H 1 3.976 0.000 . 2 . . . . . 28 Ser HB2 . 27683 1 253 . 1 1 28 28 SER HB3 H 1 3.941 0.000 . 2 . . . . . 28 Ser HB3 . 27683 1 254 . 1 1 28 28 SER C C 13 174.555 0.000 . 1 . . . . . 28 Ser C . 27683 1 255 . 1 1 28 28 SER CA C 13 61.027 0.000 . 1 . . . . . 28 Ser CA . 27683 1 256 . 1 1 28 28 SER CB C 13 63.228 0.000 . 1 . . . . . 28 Ser CB . 27683 1 257 . 1 1 28 28 SER N N 15 110.291 0.000 . 1 . . . . . 28 Ser N . 27683 1 258 . 1 1 29 29 SER H H 1 7.364 0.000 . 1 . . . . . 29 Ser H . 27683 1 259 . 1 1 29 29 SER HA H 1 4.686 0.000 . 1 . . . . . 29 Ser HA . 27683 1 260 . 1 1 29 29 SER HB2 H 1 4.043 0.000 . 2 . . . . . 29 Ser HB2 . 27683 1 261 . 1 1 29 29 SER HB3 H 1 3.941 0.000 . 2 . . . . . 29 Ser HB3 . 27683 1 262 . 1 1 29 29 SER C C 13 174.043 0.000 . 1 . . . . . 29 Ser C . 27683 1 263 . 1 1 29 29 SER CA C 13 58.042 0.000 . 1 . . . . . 29 Ser CA . 27683 1 264 . 1 1 29 29 SER CB C 13 64.400 0.000 . 1 . . . . . 29 Ser CB . 27683 1 265 . 1 1 29 29 SER N N 15 114.521 0.000 . 1 . . . . . 29 Ser N . 27683 1 266 . 1 1 30 30 MET H H 1 7.714 0.000 . 1 . . . . . 30 Met H . 27683 1 267 . 1 1 30 30 MET HA H 1 4.911 0.000 . 1 . . . . . 30 Met HA . 27683 1 268 . 1 1 30 30 MET HB2 H 1 2.251 0.000 . 2 . . . . . 30 Met HB2 . 27683 1 269 . 1 1 30 30 MET HB3 H 1 2.212 0.000 . 2 . . . . . 30 Met HB3 . 27683 1 270 . 1 1 30 30 MET HG2 H 1 2.803 0.000 . 2 . . . . . 30 Met HG2 . 27683 1 271 . 1 1 30 30 MET HG3 H 1 2.714 0.000 . 2 . . . . . 30 Met HG3 . 27683 1 272 . 1 1 30 30 MET HE1 H 1 2.076 0.000 . 1 . . . . . 30 Met HE1 . 27683 1 273 . 1 1 30 30 MET HE2 H 1 2.076 0.000 . 1 . . . . . 30 Met HE2 . 27683 1 274 . 1 1 30 30 MET HE3 H 1 2.076 0.000 . 1 . . . . . 30 Met HE3 . 27683 1 275 . 1 1 30 30 MET C C 13 173.750 0.000 . 1 . . . . . 30 Met C . 27683 1 276 . 1 1 30 30 MET CA C 13 53.562 0.000 . 1 . . . . . 30 Met CA . 27683 1 277 . 1 1 30 30 MET CB C 13 32.179 0.000 . 1 . . . . . 30 Met CB . 27683 1 278 . 1 1 30 30 MET CG C 13 33.260 0.000 . 1 . . . . . 30 Met CG . 27683 1 279 . 1 1 30 30 MET CE C 13 17.947 0.000 . 1 . . . . . 30 Met CE . 27683 1 280 . 1 1 30 30 MET N N 15 122.864 0.000 . 1 . . . . . 30 Met N . 27683 1 281 . 1 1 31 31 PRO HA H 1 4.545 0.000 . 1 . . . . . 31 Pro HA . 27683 1 282 . 1 1 31 31 PRO HB2 H 1 2.313 0.000 . 2 . . . . . 31 Pro HB2 . 27683 1 283 . 1 1 31 31 PRO HB3 H 1 1.828 0.000 . 2 . . . . . 31 Pro HB3 . 27683 1 284 . 1 1 31 31 PRO HG2 H 1 2.029 0.000 . 2 . . . . . 31 Pro HG2 . 27683 1 285 . 1 1 31 31 PRO HG3 H 1 2.062 0.000 . 2 . . . . . 31 Pro HG3 . 27683 1 286 . 1 1 31 31 PRO HD2 H 1 3.908 0.000 . 2 . . . . . 31 Pro HD2 . 27683 1 287 . 1 1 31 31 PRO HD3 H 1 3.724 0.000 . 2 . . . . . 31 Pro HD3 . 27683 1 288 . 1 1 31 31 PRO C C 13 177.311 0.000 . 1 . . . . . 31 Pro C . 27683 1 289 . 1 1 31 31 PRO CA C 13 63.104 0.000 . 1 . . . . . 31 Pro CA . 27683 1 290 . 1 1 31 31 PRO CB C 13 32.244 0.000 . 1 . . . . . 31 Pro CB . 27683 1 291 . 1 1 31 31 PRO CG C 13 27.444 0.000 . 1 . . . . . 31 Pro CG . 27683 1 292 . 1 1 31 31 PRO CD C 13 50.485 0.000 . 1 . . . . . 31 Pro CD . 27683 1 293 . 1 1 32 32 GLY H H 1 8.435 0.000 . 1 . . . . . 32 Gly H . 27683 1 294 . 1 1 32 32 GLY HA2 H 1 3.899 0.000 . 2 . . . . . 32 Gly HA2 . 27683 1 295 . 1 1 32 32 GLY HA3 H 1 3.364 0.000 . 2 . . . . . 32 Gly HA3 . 27683 1 296 . 1 1 32 32 GLY C C 13 172.413 0.000 . 1 . . . . . 32 Gly C . 27683 1 297 . 1 1 32 32 GLY CA C 13 45.328 0.000 . 1 . . . . . 32 Gly CA . 27683 1 298 . 1 1 32 32 GLY N N 15 107.509 0.000 . 1 . . . . . 32 Gly N . 27683 1 299 . 1 1 33 33 PHE H H 1 7.411 0.000 . 1 . . . . . 33 Phe H . 27683 1 300 . 1 1 33 33 PHE HA H 1 5.109 0.000 . 1 . . . . . 33 Phe HA . 27683 1 301 . 1 1 33 33 PHE HB2 H 1 2.898 0.000 . 2 . . . . . 33 Phe HB2 . 27683 1 302 . 1 1 33 33 PHE HB3 H 1 2.834 0.000 . 2 . . . . . 33 Phe HB3 . 27683 1 303 . 1 1 33 33 PHE HD1 H 1 7.082 0.000 . 1 . . . . . 33 Phe HD1 . 27683 1 304 . 1 1 33 33 PHE HD2 H 1 7.082 0.000 . 1 . . . . . 33 Phe HD2 . 27683 1 305 . 1 1 33 33 PHE C C 13 176.255 0.000 . 1 . . . . . 33 Phe C . 27683 1 306 . 1 1 33 33 PHE CA C 13 56.744 0.000 . 1 . . . . . 33 Phe CA . 27683 1 307 . 1 1 33 33 PHE CB C 13 41.289 0.000 . 1 . . . . . 33 Phe CB . 27683 1 308 . 1 1 33 33 PHE N N 15 116.162 0.000 . 1 . . . . . 33 Phe N . 27683 1 309 . 1 1 34 34 THR H H 1 8.682 0.000 . 1 . . . . . 34 Thr H . 27683 1 310 . 1 1 34 34 THR HA H 1 4.594 0.000 . 1 . . . . . 34 Thr HA . 27683 1 311 . 1 1 34 34 THR HB H 1 4.689 0.000 . 1 . . . . . 34 Thr HB . 27683 1 312 . 1 1 34 34 THR HG21 H 1 1.165 0.000 . 1 . . . . . 34 Thr HG21 . 27683 1 313 . 1 1 34 34 THR HG22 H 1 1.165 0.000 . 1 . . . . . 34 Thr HG22 . 27683 1 314 . 1 1 34 34 THR HG23 H 1 1.165 0.000 . 1 . . . . . 34 Thr HG23 . 27683 1 315 . 1 1 34 34 THR C C 13 174.997 0.000 . 1 . . . . . 34 Thr C . 27683 1 316 . 1 1 34 34 THR CA C 13 59.975 0.000 . 1 . . . . . 34 Thr CA . 27683 1 317 . 1 1 34 34 THR CB C 13 71.100 0.000 . 1 . . . . . 34 Thr CB . 27683 1 318 . 1 1 34 34 THR CG2 C 13 21.876 0.000 . 1 . . . . . 34 Thr CG2 . 27683 1 319 . 1 1 34 34 THR N N 15 113.878 0.000 . 1 . . . . . 34 Thr N . 27683 1 320 . 1 1 35 35 ALA H H 1 8.836 0.000 . 1 . . . . . 35 Ala H . 27683 1 321 . 1 1 35 35 ALA HA H 1 4.100 0.000 . 1 . . . . . 35 Ala HA . 27683 1 322 . 1 1 35 35 ALA HB1 H 1 1.507 0.000 . 1 . . . . . 35 Ala HB1 . 27683 1 323 . 1 1 35 35 ALA HB2 H 1 1.507 0.000 . 1 . . . . . 35 Ala HB2 . 27683 1 324 . 1 1 35 35 ALA HB3 H 1 1.507 0.000 . 1 . . . . . 35 Ala HB3 . 27683 1 325 . 1 1 35 35 ALA C C 13 180.595 0.000 . 1 . . . . . 35 Ala C . 27683 1 326 . 1 1 35 35 ALA CA C 13 55.581 0.000 . 1 . . . . . 35 Ala CA . 27683 1 327 . 1 1 35 35 ALA CB C 13 17.909 0.000 . 1 . . . . . 35 Ala CB . 27683 1 328 . 1 1 35 35 ALA N N 15 122.992 0.000 . 1 . . . . . 35 Ala N . 27683 1 329 . 1 1 36 36 SER H H 1 8.359 0.000 . 1 . . . . . 36 Ser H . 27683 1 330 . 1 1 36 36 SER HA H 1 4.267 0.000 . 1 . . . . . 36 Ser HA . 27683 1 331 . 1 1 36 36 SER HB2 H 1 3.952 0.000 . 2 . . . . . 36 Ser HB2 . 27683 1 332 . 1 1 36 36 SER HB3 H 1 3.913 0.000 . 2 . . . . . 36 Ser HB3 . 27683 1 333 . 1 1 36 36 SER C C 13 176.948 0.000 . 1 . . . . . 36 Ser C . 27683 1 334 . 1 1 36 36 SER CA C 13 61.370 0.000 . 1 . . . . . 36 Ser CA . 27683 1 335 . 1 1 36 36 SER CB C 13 62.407 0.000 . 1 . . . . . 36 Ser CB . 27683 1 336 . 1 1 36 36 SER N N 15 112.754 0.000 . 1 . . . . . 36 Ser N . 27683 1 337 . 1 1 37 37 GLN H H 1 7.572 0.000 . 1 . . . . . 37 Gln H . 27683 1 338 . 1 1 37 37 GLN HA H 1 4.222 0.000 . 1 . . . . . 37 Gln HA . 27683 1 339 . 1 1 37 37 GLN HB2 H 1 2.643 0.000 . 2 . . . . . 37 Gln HB2 . 27683 1 340 . 1 1 37 37 GLN HB3 H 1 2.639 0.000 . 2 . . . . . 37 Gln HB3 . 27683 1 341 . 1 1 37 37 GLN HG2 H 1 2.568 0.000 . 2 . . . . . 37 Gln HG2 . 27683 1 342 . 1 1 37 37 GLN HG3 H 1 2.534 0.000 . 2 . . . . . 37 Gln HG3 . 27683 1 343 . 1 1 37 37 GLN C C 13 178.809 0.000 . 1 . . . . . 37 Gln C . 27683 1 344 . 1 1 37 37 GLN CA C 13 58.596 0.000 . 1 . . . . . 37 Gln CA . 27683 1 345 . 1 1 37 37 GLN CB C 13 28.379 0.000 . 1 . . . . . 37 Gln CB . 27683 1 346 . 1 1 37 37 GLN CG C 13 34.737 0.000 . 1 . . . . . 37 Gln CG . 27683 1 347 . 1 1 37 37 GLN N N 15 121.953 0.000 . 1 . . . . . 37 Gln N . 27683 1 348 . 1 1 38 38 LEU H H 1 8.123 0.000 . 1 . . . . . 38 Leu H . 27683 1 349 . 1 1 38 38 LEU HA H 1 3.976 0.000 . 1 . . . . . 38 Leu HA . 27683 1 350 . 1 1 38 38 LEU HB2 H 1 1.945 0.000 . 2 . . . . . 38 Leu HB2 . 27683 1 351 . 1 1 38 38 LEU HB3 H 1 1.517 0.000 . 2 . . . . . 38 Leu HB3 . 27683 1 352 . 1 1 38 38 LEU HG H 1 1.783 0.000 . 1 . . . . . 38 Leu HG . 27683 1 353 . 1 1 38 38 LEU HD11 H 1 0.813 0.000 . 2 . . . . . 38 Leu HD11 . 27683 1 354 . 1 1 38 38 LEU HD12 H 1 0.813 0.000 . 2 . . . . . 38 Leu HD12 . 27683 1 355 . 1 1 38 38 LEU HD13 H 1 0.813 0.000 . 2 . . . . . 38 Leu HD13 . 27683 1 356 . 1 1 38 38 LEU HD21 H 1 0.562 0.000 . 2 . . . . . 38 Leu HD21 . 27683 1 357 . 1 1 38 38 LEU HD22 H 1 0.562 0.000 . 2 . . . . . 38 Leu HD22 . 27683 1 358 . 1 1 38 38 LEU HD23 H 1 0.562 0.000 . 2 . . . . . 38 Leu HD23 . 27683 1 359 . 1 1 38 38 LEU C C 13 180.021 0.000 . 1 . . . . . 38 Leu C . 27683 1 360 . 1 1 38 38 LEU CA C 13 57.340 0.000 . 1 . . . . . 38 Leu CA . 27683 1 361 . 1 1 38 38 LEU CB C 13 40.237 0.000 . 1 . . . . . 38 Leu CB . 27683 1 362 . 1 1 38 38 LEU CG C 13 27.344 0.000 . 1 . . . . . 38 Leu CG . 27683 1 363 . 1 1 38 38 LEU CD1 C 13 25.493 0.000 . 2 . . . . . 38 Leu CD1 . 27683 1 364 . 1 1 38 38 LEU CD2 C 13 22.502 0.000 . 2 . . . . . 38 Leu CD2 . 27683 1 365 . 1 1 38 38 LEU N N 15 119.468 0.000 . 1 . . . . . 38 Leu N . 27683 1 366 . 1 1 39 39 ASP H H 1 8.206 0.000 . 1 . . . . . 39 Asp H . 27683 1 367 . 1 1 39 39 ASP HA H 1 4.465 0.000 . 1 . . . . . 39 Asp HA . 27683 1 368 . 1 1 39 39 ASP HB2 H 1 2.868 0.000 . 2 . . . . . 39 Asp HB2 . 27683 1 369 . 1 1 39 39 ASP HB3 H 1 2.797 0.000 . 2 . . . . . 39 Asp HB3 . 27683 1 370 . 1 1 39 39 ASP C C 13 179.263 0.000 . 1 . . . . . 39 Asp C . 27683 1 371 . 1 1 39 39 ASP CA C 13 57.732 0.000 . 1 . . . . . 39 Asp CA . 27683 1 372 . 1 1 39 39 ASP CB C 13 40.442 0.000 . 1 . . . . . 39 Asp CB . 27683 1 373 . 1 1 39 39 ASP N N 15 122.658 0.000 . 1 . . . . . 39 Asp N . 27683 1 374 . 1 1 40 40 ASP H H 1 8.128 0.000 . 1 . . . . . 40 Asp H . 27683 1 375 . 1 1 40 40 ASP HA H 1 4.477 0.000 . 1 . . . . . 40 Asp HA . 27683 1 376 . 1 1 40 40 ASP HB2 H 1 2.996 0.000 . 2 . . . . . 40 Asp HB2 . 27683 1 377 . 1 1 40 40 ASP HB3 H 1 2.667 0.000 . 2 . . . . . 40 Asp HB3 . 27683 1 378 . 1 1 40 40 ASP C C 13 179.839 0.000 . 1 . . . . . 40 Asp C . 27683 1 379 . 1 1 40 40 ASP CA C 13 57.738 0.000 . 1 . . . . . 40 Asp CA . 27683 1 380 . 1 1 40 40 ASP CB C 13 39.866 0.000 . 1 . . . . . 40 Asp CB . 27683 1 381 . 1 1 40 40 ASP N N 15 122.203 0.000 . 1 . . . . . 40 Asp N . 27683 1 382 . 1 1 41 41 LEU H H 1 8.471 0.000 . 1 . . . . . 41 Leu H . 27683 1 383 . 1 1 41 41 LEU HA H 1 4.192 0.000 . 1 . . . . . 41 Leu HA . 27683 1 384 . 1 1 41 41 LEU HB2 H 1 1.896 0.000 . 2 . . . . . 41 Leu HB2 . 27683 1 385 . 1 1 41 41 LEU HB3 H 1 1.581 0.000 . 2 . . . . . 41 Leu HB3 . 27683 1 386 . 1 1 41 41 LEU HG H 1 1.832 0.000 . 1 . . . . . 41 Leu HG . 27683 1 387 . 1 1 41 41 LEU HD11 H 1 0.726 0.000 . 2 . . . . . 41 Leu HD11 . 27683 1 388 . 1 1 41 41 LEU HD12 H 1 0.726 0.000 . 2 . . . . . 41 Leu HD12 . 27683 1 389 . 1 1 41 41 LEU HD13 H 1 0.726 0.000 . 2 . . . . . 41 Leu HD13 . 27683 1 390 . 1 1 41 41 LEU HD21 H 1 0.804 0.000 . 2 . . . . . 41 Leu HD21 . 27683 1 391 . 1 1 41 41 LEU HD22 H 1 0.804 0.000 . 2 . . . . . 41 Leu HD22 . 27683 1 392 . 1 1 41 41 LEU HD23 H 1 0.804 0.000 . 2 . . . . . 41 Leu HD23 . 27683 1 393 . 1 1 41 41 LEU C C 13 178.565 0.000 . 1 . . . . . 41 Leu C . 27683 1 394 . 1 1 41 41 LEU CA C 13 57.438 0.000 . 1 . . . . . 41 Leu CA . 27683 1 395 . 1 1 41 41 LEU CB C 13 42.035 0.000 . 1 . . . . . 41 Leu CB . 27683 1 396 . 1 1 41 41 LEU CG C 13 27.111 0.000 . 1 . . . . . 41 Leu CG . 27683 1 397 . 1 1 41 41 LEU CD1 C 13 24.802 0.000 . 2 . . . . . 41 Leu CD1 . 27683 1 398 . 1 1 41 41 LEU CD2 C 13 24.785 0.000 . 2 . . . . . 41 Leu CD2 . 27683 1 399 . 1 1 41 41 LEU N N 15 120.913 0.000 . 1 . . . . . 41 Leu N . 27683 1 400 . 1 1 42 42 SER H H 1 8.386 0.000 . 1 . . . . . 42 Ser H . 27683 1 401 . 1 1 42 42 SER HA H 1 4.248 0.000 . 1 . . . . . 42 Ser HA . 27683 1 402 . 1 1 42 42 SER HB2 H 1 3.904 0.000 . 1 . . . . . 42 Ser HB2 . 27683 1 403 . 1 1 42 42 SER HB3 H 1 3.904 0.000 . 1 . . . . . 42 Ser HB3 . 27683 1 404 . 1 1 42 42 SER C C 13 177.308 0.000 . 1 . . . . . 42 Ser C . 27683 1 405 . 1 1 42 42 SER CA C 13 61.953 0.000 . 1 . . . . . 42 Ser CA . 27683 1 406 . 1 1 42 42 SER CB C 13 62.341 0.000 . 1 . . . . . 42 Ser CB . 27683 1 407 . 1 1 42 42 SER N N 15 116.653 0.000 . 1 . . . . . 42 Ser N . 27683 1 408 . 1 1 43 43 THR H H 1 7.941 0.000 . 1 . . . . . 43 Thr H . 27683 1 409 . 1 1 43 43 THR HA H 1 4.058 0.000 . 1 . . . . . 43 Thr HA . 27683 1 410 . 1 1 43 43 THR HB H 1 4.447 0.000 . 1 . . . . . 43 Thr HB . 27683 1 411 . 1 1 43 43 THR HG21 H 1 1.285 0.000 . 1 . . . . . 43 Thr HG21 . 27683 1 412 . 1 1 43 43 THR HG22 H 1 1.285 0.000 . 1 . . . . . 43 Thr HG22 . 27683 1 413 . 1 1 43 43 THR HG23 H 1 1.285 0.000 . 1 . . . . . 43 Thr HG23 . 27683 1 414 . 1 1 43 43 THR C C 13 177.253 0.000 . 1 . . . . . 43 Thr C . 27683 1 415 . 1 1 43 43 THR CA C 13 66.664 0.000 . 1 . . . . . 43 Thr CA . 27683 1 416 . 1 1 43 43 THR CB C 13 68.525 0.000 . 1 . . . . . 43 Thr CB . 27683 1 417 . 1 1 43 43 THR CG2 C 13 22.201 0.000 . 1 . . . . . 43 Thr CG2 . 27683 1 418 . 1 1 43 43 THR N N 15 119.464 0.000 . 1 . . . . . 43 Thr N . 27683 1 419 . 1 1 44 44 ILE H H 1 7.918 0.000 . 1 . . . . . 44 Ile H . 27683 1 420 . 1 1 44 44 ILE HA H 1 3.968 0.000 . 1 . . . . . 44 Ile HA . 27683 1 421 . 1 1 44 44 ILE HB H 1 2.236 0.000 . 1 . . . . . 44 Ile HB . 27683 1 422 . 1 1 44 44 ILE HG12 H 1 1.711 0.000 . 2 . . . . . 44 Ile HG12 . 27683 1 423 . 1 1 44 44 ILE HG13 H 1 1.489 0.000 . 2 . . . . . 44 Ile HG13 . 27683 1 424 . 1 1 44 44 ILE HG21 H 1 1.088 0.000 . 1 . . . . . 44 Ile HG21 . 27683 1 425 . 1 1 44 44 ILE HG22 H 1 1.088 0.000 . 1 . . . . . 44 Ile HG22 . 27683 1 426 . 1 1 44 44 ILE HG23 H 1 1.088 0.000 . 1 . . . . . 44 Ile HG23 . 27683 1 427 . 1 1 44 44 ILE HD11 H 1 0.876 0.000 . 1 . . . . . 44 Ile HD11 . 27683 1 428 . 1 1 44 44 ILE HD12 H 1 0.876 0.000 . 1 . . . . . 44 Ile HD12 . 27683 1 429 . 1 1 44 44 ILE HD13 H 1 0.876 0.000 . 1 . . . . . 44 Ile HD13 . 27683 1 430 . 1 1 44 44 ILE C C 13 178.453 0.000 . 1 . . . . . 44 Ile C . 27683 1 431 . 1 1 44 44 ILE CA C 13 63.452 0.000 . 1 . . . . . 44 Ile CA . 27683 1 432 . 1 1 44 44 ILE CB C 13 37.425 0.000 . 1 . . . . . 44 Ile CB . 27683 1 433 . 1 1 44 44 ILE CG1 C 13 28.685 0.000 . 1 . . . . . 44 Ile CG1 . 27683 1 434 . 1 1 44 44 ILE CG2 C 13 17.059 0.000 . 1 . . . . . 44 Ile CG2 . 27683 1 435 . 1 1 44 44 ILE CD1 C 13 12.495 0.000 . 1 . . . . . 44 Ile CD1 . 27683 1 436 . 1 1 44 44 ILE N N 15 123.431 0.000 . 1 . . . . . 44 Ile N . 27683 1 437 . 1 1 45 45 ALA H H 1 8.905 0.000 . 1 . . . . . 45 Ala H . 27683 1 438 . 1 1 45 45 ALA HA H 1 4.096 0.000 . 1 . . . . . 45 Ala HA . 27683 1 439 . 1 1 45 45 ALA HB1 H 1 1.707 0.000 . 1 . . . . . 45 Ala HB1 . 27683 1 440 . 1 1 45 45 ALA HB2 H 1 1.707 0.000 . 1 . . . . . 45 Ala HB2 . 27683 1 441 . 1 1 45 45 ALA HB3 H 1 1.707 0.000 . 1 . . . . . 45 Ala HB3 . 27683 1 442 . 1 1 45 45 ALA C C 13 178.809 0.000 . 1 . . . . . 45 Ala C . 27683 1 443 . 1 1 45 45 ALA CA C 13 55.375 0.000 . 1 . . . . . 45 Ala CA . 27683 1 444 . 1 1 45 45 ALA CB C 13 18.898 0.000 . 1 . . . . . 45 Ala CB . 27683 1 445 . 1 1 45 45 ALA N N 15 123.895 0.000 . 1 . . . . . 45 Ala N . 27683 1 446 . 1 1 46 46 GLN H H 1 7.982 0.000 . 1 . . . . . 46 Gln H . 27683 1 447 . 1 1 46 46 GLN HA H 1 4.035 0.000 . 1 . . . . . 46 Gln HA . 27683 1 448 . 1 1 46 46 GLN HB2 H 1 2.260 0.000 . 2 . . . . . 46 Gln HB2 . 27683 1 449 . 1 1 46 46 GLN HB3 H 1 2.212 0.000 . 2 . . . . . 46 Gln HB3 . 27683 1 450 . 1 1 46 46 GLN HG2 H 1 2.592 0.000 . 2 . . . . . 46 Gln HG2 . 27683 1 451 . 1 1 46 46 GLN HG3 H 1 2.440 0.000 . 2 . . . . . 46 Gln HG3 . 27683 1 452 . 1 1 46 46 GLN C C 13 179.013 0.000 . 1 . . . . . 46 Gln C . 27683 1 453 . 1 1 46 46 GLN CA C 13 59.121 0.000 . 1 . . . . . 46 Gln CA . 27683 1 454 . 1 1 46 46 GLN CB C 13 28.393 0.000 . 1 . . . . . 46 Gln CB . 27683 1 455 . 1 1 46 46 GLN CG C 13 34.179 0.000 . 1 . . . . . 46 Gln CG . 27683 1 456 . 1 1 46 46 GLN N N 15 116.340 0.000 . 1 . . . . . 46 Gln N . 27683 1 457 . 1 1 47 47 SER H H 1 7.901 0.000 . 1 . . . . . 47 Ser H . 27683 1 458 . 1 1 47 47 SER HA H 1 4.265 0.000 . 1 . . . . . 47 Ser HA . 27683 1 459 . 1 1 47 47 SER HB2 H 1 4.039 0.000 . 2 . . . . . 47 Ser HB2 . 27683 1 460 . 1 1 47 47 SER HB3 H 1 4.031 0.000 . 2 . . . . . 47 Ser HB3 . 27683 1 461 . 1 1 47 47 SER C C 13 177.207 0.000 . 1 . . . . . 47 Ser C . 27683 1 462 . 1 1 47 47 SER CA C 13 61.590 0.000 . 1 . . . . . 47 Ser CA . 27683 1 463 . 1 1 47 47 SER CB C 13 62.772 0.000 . 1 . . . . . 47 Ser CB . 27683 1 464 . 1 1 47 47 SER N N 15 115.989 0.000 . 1 . . . . . 47 Ser N . 27683 1 465 . 1 1 48 48 LEU H H 1 8.387 0.000 . 1 . . . . . 48 Leu H . 27683 1 466 . 1 1 48 48 LEU HA H 1 3.920 0.000 . 1 . . . . . 48 Leu HA . 27683 1 467 . 1 1 48 48 LEU HB2 H 1 1.816 0.000 . 2 . . . . . 48 Leu HB2 . 27683 1 468 . 1 1 48 48 LEU HB3 H 1 1.121 0.000 . 2 . . . . . 48 Leu HB3 . 27683 1 469 . 1 1 48 48 LEU HG H 1 1.557 0.000 . 1 . . . . . 48 Leu HG . 27683 1 470 . 1 1 48 48 LEU HD11 H 1 0.570 0.000 . 2 . . . . . 48 Leu HD11 . 27683 1 471 . 1 1 48 48 LEU HD12 H 1 0.570 0.000 . 2 . . . . . 48 Leu HD12 . 27683 1 472 . 1 1 48 48 LEU HD13 H 1 0.570 0.000 . 2 . . . . . 48 Leu HD13 . 27683 1 473 . 1 1 48 48 LEU HD21 H 1 0.332 0.000 . 2 . . . . . 48 Leu HD21 . 27683 1 474 . 1 1 48 48 LEU HD22 H 1 0.332 0.000 . 2 . . . . . 48 Leu HD22 . 27683 1 475 . 1 1 48 48 LEU HD23 H 1 0.332 0.000 . 2 . . . . . 48 Leu HD23 . 27683 1 476 . 1 1 48 48 LEU C C 13 178.976 0.000 . 1 . . . . . 48 Leu C . 27683 1 477 . 1 1 48 48 LEU CA C 13 58.274 0.000 . 1 . . . . . 48 Leu CA . 27683 1 478 . 1 1 48 48 LEU CB C 13 41.358 0.000 . 1 . . . . . 48 Leu CB . 27683 1 479 . 1 1 48 48 LEU CG C 13 26.897 0.000 . 1 . . . . . 48 Leu CG . 27683 1 480 . 1 1 48 48 LEU CD1 C 13 25.654 0.000 . 2 . . . . . 48 Leu CD1 . 27683 1 481 . 1 1 48 48 LEU CD2 C 13 23.777 0.000 . 2 . . . . . 48 Leu CD2 . 27683 1 482 . 1 1 48 48 LEU N N 15 124.688 0.000 . 1 . . . . . 48 Leu N . 27683 1 483 . 1 1 49 49 VAL H H 1 8.074 0.000 . 1 . . . . . 49 Val H . 27683 1 484 . 1 1 49 49 VAL HA H 1 3.344 0.000 . 1 . . . . . 49 Val HA . 27683 1 485 . 1 1 49 49 VAL HB H 1 2.184 0.000 . 1 . . . . . 49 Val HB . 27683 1 486 . 1 1 49 49 VAL HG11 H 1 1.046 0.000 . 2 . . . . . 49 Val HG11 . 27683 1 487 . 1 1 49 49 VAL HG12 H 1 1.046 0.000 . 2 . . . . . 49 Val HG12 . 27683 1 488 . 1 1 49 49 VAL HG13 H 1 1.046 0.000 . 2 . . . . . 49 Val HG13 . 27683 1 489 . 1 1 49 49 VAL HG21 H 1 0.962 0.000 . 2 . . . . . 49 Val HG21 . 27683 1 490 . 1 1 49 49 VAL HG22 H 1 0.962 0.000 . 2 . . . . . 49 Val HG22 . 27683 1 491 . 1 1 49 49 VAL HG23 H 1 0.962 0.000 . 2 . . . . . 49 Val HG23 . 27683 1 492 . 1 1 49 49 VAL C C 13 178.029 0.000 . 1 . . . . . 49 Val C . 27683 1 493 . 1 1 49 49 VAL CA C 13 67.878 0.000 . 1 . . . . . 49 Val CA . 27683 1 494 . 1 1 49 49 VAL CB C 13 31.553 0.000 . 1 . . . . . 49 Val CB . 27683 1 495 . 1 1 49 49 VAL CG1 C 13 23.884 0.000 . 2 . . . . . 49 Val CG1 . 27683 1 496 . 1 1 49 49 VAL CG2 C 13 21.692 0.000 . 2 . . . . . 49 Val CG2 . 27683 1 497 . 1 1 49 49 VAL N N 15 118.955 0.000 . 1 . . . . . 49 Val N . 27683 1 498 . 1 1 50 50 GLN H H 1 7.979 0.000 . 1 . . . . . 50 Gln H . 27683 1 499 . 1 1 50 50 GLN HA H 1 4.080 0.000 . 1 . . . . . 50 Gln HA . 27683 1 500 . 1 1 50 50 GLN HB2 H 1 2.201 0.000 . 2 . . . . . 50 Gln HB2 . 27683 1 501 . 1 1 50 50 GLN HB3 H 1 2.124 0.000 . 2 . . . . . 50 Gln HB3 . 27683 1 502 . 1 1 50 50 GLN HG2 H 1 2.525 0.000 . 2 . . . . . 50 Gln HG2 . 27683 1 503 . 1 1 50 50 GLN HG3 H 1 2.332 0.000 . 2 . . . . . 50 Gln HG3 . 27683 1 504 . 1 1 50 50 GLN C C 13 179.447 0.000 . 1 . . . . . 50 Gln C . 27683 1 505 . 1 1 50 50 GLN CA C 13 59.109 0.000 . 1 . . . . . 50 Gln CA . 27683 1 506 . 1 1 50 50 GLN CB C 13 27.942 0.000 . 1 . . . . . 50 Gln CB . 27683 1 507 . 1 1 50 50 GLN CG C 13 34.211 0.000 . 1 . . . . . 50 Gln CG . 27683 1 508 . 1 1 50 50 GLN N N 15 118.495 0.000 . 1 . . . . . 50 Gln N . 27683 1 509 . 1 1 51 51 SER H H 1 8.258 0.000 . 1 . . . . . 51 Ser H . 27683 1 510 . 1 1 51 51 SER HA H 1 4.097 0.000 . 1 . . . . . 51 Ser HA . 27683 1 511 . 1 1 51 51 SER HB2 H 1 3.819 0.000 . 1 . . . . . 51 Ser HB2 . 27683 1 512 . 1 1 51 51 SER HB3 H 1 3.819 0.000 . 1 . . . . . 51 Ser HB3 . 27683 1 513 . 1 1 51 51 SER C C 13 176.606 0.000 . 1 . . . . . 51 Ser C . 27683 1 514 . 1 1 51 51 SER CA C 13 62.490 0.000 . 1 . . . . . 51 Ser CA . 27683 1 515 . 1 1 51 51 SER CB C 13 62.881 0.000 . 1 . . . . . 51 Ser CB . 27683 1 516 . 1 1 51 51 SER N N 15 117.414 0.000 . 1 . . . . . 51 Ser N . 27683 1 517 . 1 1 52 52 ILE H H 1 8.331 0.000 . 1 . . . . . 52 Ile H . 27683 1 518 . 1 1 52 52 ILE HA H 1 3.569 0.000 . 1 . . . . . 52 Ile HA . 27683 1 519 . 1 1 52 52 ILE HB H 1 1.857 0.000 . 1 . . . . . 52 Ile HB . 27683 1 520 . 1 1 52 52 ILE HG12 H 1 1.675 0.000 . 2 . . . . . 52 Ile HG12 . 27683 1 521 . 1 1 52 52 ILE HG13 H 1 0.929 0.000 . 2 . . . . . 52 Ile HG13 . 27683 1 522 . 1 1 52 52 ILE HG21 H 1 0.786 0.000 . 1 . . . . . 52 Ile HG21 . 27683 1 523 . 1 1 52 52 ILE HG22 H 1 0.786 0.000 . 1 . . . . . 52 Ile HG22 . 27683 1 524 . 1 1 52 52 ILE HG23 H 1 0.786 0.000 . 1 . . . . . 52 Ile HG23 . 27683 1 525 . 1 1 52 52 ILE HD11 H 1 0.700 0.000 . 1 . . . . . 52 Ile HD11 . 27683 1 526 . 1 1 52 52 ILE HD12 H 1 0.700 0.000 . 1 . . . . . 52 Ile HD12 . 27683 1 527 . 1 1 52 52 ILE HD13 H 1 0.700 0.000 . 1 . . . . . 52 Ile HD13 . 27683 1 528 . 1 1 52 52 ILE C C 13 178.424 0.000 . 1 . . . . . 52 Ile C . 27683 1 529 . 1 1 52 52 ILE CA C 13 65.622 0.000 . 1 . . . . . 52 Ile CA . 27683 1 530 . 1 1 52 52 ILE CB C 13 38.444 0.000 . 1 . . . . . 52 Ile CB . 27683 1 531 . 1 1 52 52 ILE CG1 C 13 30.476 0.000 . 1 . . . . . 52 Ile CG1 . 27683 1 532 . 1 1 52 52 ILE CG2 C 13 17.120 0.000 . 1 . . . . . 52 Ile CG2 . 27683 1 533 . 1 1 52 52 ILE CD1 C 13 15.283 0.000 . 1 . . . . . 52 Ile CD1 . 27683 1 534 . 1 1 52 52 ILE N N 15 123.653 0.000 . 1 . . . . . 52 Ile N . 27683 1 535 . 1 1 53 53 GLN H H 1 8.700 0.000 . 1 . . . . . 53 Gln H . 27683 1 536 . 1 1 53 53 GLN HA H 1 3.948 0.000 . 1 . . . . . 53 Gln HA . 27683 1 537 . 1 1 53 53 GLN HB2 H 1 2.311 0.000 . 2 . . . . . 53 Gln HB2 . 27683 1 538 . 1 1 53 53 GLN HB3 H 1 2.130 0.000 . 2 . . . . . 53 Gln HB3 . 27683 1 539 . 1 1 53 53 GLN HG2 H 1 2.558 0.000 . 2 . . . . . 53 Gln HG2 . 27683 1 540 . 1 1 53 53 GLN HG3 H 1 2.400 0.000 . 2 . . . . . 53 Gln HG3 . 27683 1 541 . 1 1 53 53 GLN C C 13 178.837 0.000 . 1 . . . . . 53 Gln C . 27683 1 542 . 1 1 53 53 GLN CA C 13 59.398 0.000 . 1 . . . . . 53 Gln CA . 27683 1 543 . 1 1 53 53 GLN CB C 13 28.102 0.000 . 1 . . . . . 53 Gln CB . 27683 1 544 . 1 1 53 53 GLN CG C 13 34.031 0.000 . 1 . . . . . 53 Gln CG . 27683 1 545 . 1 1 53 53 GLN N N 15 120.396 0.000 . 1 . . . . . 53 Gln N . 27683 1 546 . 1 1 54 54 SER H H 1 8.015 0.000 . 1 . . . . . 54 Ser H . 27683 1 547 . 1 1 54 54 SER HA H 1 4.319 0.000 . 1 . . . . . 54 Ser HA . 27683 1 548 . 1 1 54 54 SER HB2 H 1 4.034 0.000 . 2 . . . . . 54 Ser HB2 . 27683 1 549 . 1 1 54 54 SER HB3 H 1 3.989 0.000 . 2 . . . . . 54 Ser HB3 . 27683 1 550 . 1 1 54 54 SER C C 13 176.629 0.000 . 1 . . . . . 54 Ser C . 27683 1 551 . 1 1 54 54 SER CA C 13 61.371 0.000 . 1 . . . . . 54 Ser CA . 27683 1 552 . 1 1 54 54 SER CB C 13 62.983 0.000 . 1 . . . . . 54 Ser CB . 27683 1 553 . 1 1 54 54 SER N N 15 114.834 0.000 . 1 . . . . . 54 Ser N . 27683 1 554 . 1 1 55 55 LEU H H 1 8.028 0.000 . 1 . . . . . 55 Leu H . 27683 1 555 . 1 1 55 55 LEU HA H 1 4.108 0.000 . 1 . . . . . 55 Leu HA . 27683 1 556 . 1 1 55 55 LEU HB2 H 1 1.859 0.000 . 2 . . . . . 55 Leu HB2 . 27683 1 557 . 1 1 55 55 LEU HB3 H 1 1.501 0.000 . 2 . . . . . 55 Leu HB3 . 27683 1 558 . 1 1 55 55 LEU HG H 1 1.862 0.000 . 1 . . . . . 55 Leu HG . 27683 1 559 . 1 1 55 55 LEU HD11 H 1 0.811 0.000 . 2 . . . . . 55 Leu HD11 . 27683 1 560 . 1 1 55 55 LEU HD12 H 1 0.811 0.000 . 2 . . . . . 55 Leu HD12 . 27683 1 561 . 1 1 55 55 LEU HD13 H 1 0.811 0.000 . 2 . . . . . 55 Leu HD13 . 27683 1 562 . 1 1 55 55 LEU HD21 H 1 0.855 0.000 . 2 . . . . . 55 Leu HD21 . 27683 1 563 . 1 1 55 55 LEU HD22 H 1 0.855 0.000 . 2 . . . . . 55 Leu HD22 . 27683 1 564 . 1 1 55 55 LEU HD23 H 1 0.855 0.000 . 2 . . . . . 55 Leu HD23 . 27683 1 565 . 1 1 55 55 LEU C C 13 179.225 0.000 . 1 . . . . . 55 Leu C . 27683 1 566 . 1 1 55 55 LEU CA C 13 57.404 0.000 . 1 . . . . . 55 Leu CA . 27683 1 567 . 1 1 55 55 LEU CB C 13 42.225 0.000 . 1 . . . . . 55 Leu CB . 27683 1 568 . 1 1 55 55 LEU CG C 13 26.676 0.000 . 1 . . . . . 55 Leu CG . 27683 1 569 . 1 1 55 55 LEU CD1 C 13 25.615 0.000 . 2 . . . . . 55 Leu CD1 . 27683 1 570 . 1 1 55 55 LEU CD2 C 13 23.435 0.000 . 2 . . . . . 55 Leu CD2 . 27683 1 571 . 1 1 55 55 LEU N N 15 121.923 0.000 . 1 . . . . . 55 Leu N . 27683 1 572 . 1 1 56 56 ALA H H 1 8.192 0.000 . 1 . . . . . 56 Ala H . 27683 1 573 . 1 1 56 56 ALA HA H 1 4.249 0.000 . 1 . . . . . 56 Ala HA . 27683 1 574 . 1 1 56 56 ALA HB1 H 1 1.506 0.000 . 1 . . . . . 56 Ala HB1 . 27683 1 575 . 1 1 56 56 ALA HB2 H 1 1.506 0.000 . 1 . . . . . 56 Ala HB2 . 27683 1 576 . 1 1 56 56 ALA HB3 H 1 1.506 0.000 . 1 . . . . . 56 Ala HB3 . 27683 1 577 . 1 1 56 56 ALA C C 13 179.851 0.000 . 1 . . . . . 56 Ala C . 27683 1 578 . 1 1 56 56 ALA CA C 13 54.176 0.000 . 1 . . . . . 56 Ala CA . 27683 1 579 . 1 1 56 56 ALA CB C 13 18.002 0.000 . 1 . . . . . 56 Ala CB . 27683 1 580 . 1 1 56 56 ALA N N 15 121.674 0.000 . 1 . . . . . 56 Ala N . 27683 1 581 . 1 1 57 57 ALA H H 1 7.944 0.000 . 1 . . . . . 57 Ala H . 27683 1 582 . 1 1 57 57 ALA HA H 1 4.216 0.000 . 1 . . . . . 57 Ala HA . 27683 1 583 . 1 1 57 57 ALA HB1 H 1 1.556 0.000 . 1 . . . . . 57 Ala HB1 . 27683 1 584 . 1 1 57 57 ALA HB2 H 1 1.556 0.000 . 1 . . . . . 57 Ala HB2 . 27683 1 585 . 1 1 57 57 ALA HB3 H 1 1.556 0.000 . 1 . . . . . 57 Ala HB3 . 27683 1 586 . 1 1 57 57 ALA C C 13 179.172 0.000 . 1 . . . . . 57 Ala C . 27683 1 587 . 1 1 57 57 ALA CA C 13 54.329 0.000 . 1 . . . . . 57 Ala CA . 27683 1 588 . 1 1 57 57 ALA CB C 13 18.541 0.000 . 1 . . . . . 57 Ala CB . 27683 1 589 . 1 1 57 57 ALA N N 15 121.050 0.000 . 1 . . . . . 57 Ala N . 27683 1 590 . 1 1 58 58 GLN H H 1 7.873 0.000 . 1 . . . . . 58 Gln H . 27683 1 591 . 1 1 58 58 GLN HA H 1 4.346 0.000 . 1 . . . . . 58 Gln HA . 27683 1 592 . 1 1 58 58 GLN HB2 H 1 2.278 0.000 . 2 . . . . . 58 Gln HB2 . 27683 1 593 . 1 1 58 58 GLN HB3 H 1 2.076 0.000 . 2 . . . . . 58 Gln HB3 . 27683 1 594 . 1 1 58 58 GLN HG2 H 1 2.542 0.000 . 2 . . . . . 58 Gln HG2 . 27683 1 595 . 1 1 58 58 GLN HG3 H 1 2.439 0.000 . 2 . . . . . 58 Gln HG3 . 27683 1 596 . 1 1 58 58 GLN C C 13 176.709 0.000 . 1 . . . . . 58 Gln C . 27683 1 597 . 1 1 58 58 GLN CA C 13 56.178 0.000 . 1 . . . . . 58 Gln CA . 27683 1 598 . 1 1 58 58 GLN CB C 13 29.426 0.000 . 1 . . . . . 58 Gln CB . 27683 1 599 . 1 1 58 58 GLN CG C 13 34.110 0.000 . 1 . . . . . 58 Gln CG . 27683 1 600 . 1 1 58 58 GLN N N 15 114.855 0.000 . 1 . . . . . 58 Gln N . 27683 1 601 . 1 1 59 59 GLY H H 1 7.912 0.000 . 1 . . . . . 59 Gly H . 27683 1 602 . 1 1 59 59 GLY HA2 H 1 4.138 0.000 . 2 . . . . . 59 Gly HA2 . 27683 1 603 . 1 1 59 59 GLY HA3 H 1 3.925 0.000 . 2 . . . . . 59 Gly HA3 . 27683 1 604 . 1 1 59 59 GLY C C 13 174.372 0.000 . 1 . . . . . 59 Gly C . 27683 1 605 . 1 1 59 59 GLY CA C 13 46.042 0.000 . 1 . . . . . 59 Gly CA . 27683 1 606 . 1 1 59 59 GLY N N 15 108.112 0.000 . 1 . . . . . 59 Gly N . 27683 1 607 . 1 1 60 60 ARG H H 1 8.084 0.000 . 1 . . . . . 60 Arg H . 27683 1 608 . 1 1 60 60 ARG HA H 1 4.518 0.000 . 1 . . . . . 60 Arg HA . 27683 1 609 . 1 1 60 60 ARG HB2 H 1 1.979 0.000 . 2 . . . . . 60 Arg HB2 . 27683 1 610 . 1 1 60 60 ARG HB3 H 1 1.722 0.000 . 2 . . . . . 60 Arg HB3 . 27683 1 611 . 1 1 60 60 ARG HG2 H 1 1.660 0.000 . 2 . . . . . 60 Arg HG2 . 27683 1 612 . 1 1 60 60 ARG HG3 H 1 1.602 0.000 . 2 . . . . . 60 Arg HG3 . 27683 1 613 . 1 1 60 60 ARG HD2 H 1 3.213 0.000 . 2 . . . . . 60 Arg HD2 . 27683 1 614 . 1 1 60 60 ARG HD3 H 1 3.217 0.000 . 2 . . . . . 60 Arg HD3 . 27683 1 615 . 1 1 60 60 ARG C C 13 175.999 0.000 . 1 . . . . . 60 Arg C . 27683 1 616 . 1 1 60 60 ARG CA C 13 55.829 0.000 . 1 . . . . . 60 Arg CA . 27683 1 617 . 1 1 60 60 ARG CB C 13 31.411 0.000 . 1 . . . . . 60 Arg CB . 27683 1 618 . 1 1 60 60 ARG CG C 13 27.257 0.000 . 1 . . . . . 60 Arg CG . 27683 1 619 . 1 1 60 60 ARG CD C 13 43.508 0.000 . 1 . . . . . 60 Arg CD . 27683 1 620 . 1 1 60 60 ARG N N 15 119.070 0.000 . 1 . . . . . 60 Arg N . 27683 1 621 . 1 1 61 61 THR H H 1 8.153 0.000 . 1 . . . . . 61 Thr H . 27683 1 622 . 1 1 61 61 THR HA H 1 4.127 0.000 . 1 . . . . . 61 Thr HA . 27683 1 623 . 1 1 61 61 THR HB H 1 4.124 0.000 . 1 . . . . . 61 Thr HB . 27683 1 624 . 1 1 61 61 THR HG21 H 1 1.187 0.000 . 1 . . . . . 61 Thr HG21 . 27683 1 625 . 1 1 61 61 THR HG22 H 1 1.187 0.000 . 1 . . . . . 61 Thr HG22 . 27683 1 626 . 1 1 61 61 THR HG23 H 1 1.187 0.000 . 1 . . . . . 61 Thr HG23 . 27683 1 627 . 1 1 61 61 THR C C 13 173.895 0.000 . 1 . . . . . 61 Thr C . 27683 1 628 . 1 1 61 61 THR CA C 13 62.468 0.000 . 1 . . . . . 61 Thr CA . 27683 1 629 . 1 1 61 61 THR CB C 13 68.804 0.000 . 1 . . . . . 61 Thr CB . 27683 1 630 . 1 1 61 61 THR CG2 C 13 22.397 0.000 . 1 . . . . . 61 Thr CG2 . 27683 1 631 . 1 1 61 61 THR N N 15 116.205 0.000 . 1 . . . . . 61 Thr N . 27683 1 632 . 1 1 62 62 SER H H 1 8.024 0.000 . 1 . . . . . 62 Ser H . 27683 1 633 . 1 1 62 62 SER HA H 1 4.835 0.000 . 1 . . . . . 62 Ser HA . 27683 1 634 . 1 1 62 62 SER HB2 H 1 4.203 0.000 . 2 . . . . . 62 Ser HB2 . 27683 1 635 . 1 1 62 62 SER HB3 H 1 3.962 0.000 . 2 . . . . . 62 Ser HB3 . 27683 1 636 . 1 1 62 62 SER C C 13 173.502 0.000 . 1 . . . . . 62 Ser C . 27683 1 637 . 1 1 62 62 SER CA C 13 56.224 0.000 . 1 . . . . . 62 Ser CA . 27683 1 638 . 1 1 62 62 SER CB C 13 63.580 0.000 . 1 . . . . . 62 Ser CB . 27683 1 639 . 1 1 62 62 SER N N 15 120.366 0.000 . 1 . . . . . 62 Ser N . 27683 1 640 . 1 1 63 63 PRO HA H 1 4.291 0.000 . 1 . . . . . 63 Pro HA . 27683 1 641 . 1 1 63 63 PRO HB2 H 1 2.451 0.000 . 2 . . . . . 63 Pro HB2 . 27683 1 642 . 1 1 63 63 PRO HB3 H 1 2.015 0.000 . 2 . . . . . 63 Pro HB3 . 27683 1 643 . 1 1 63 63 PRO HG2 H 1 2.200 0.000 . 2 . . . . . 63 Pro HG2 . 27683 1 644 . 1 1 63 63 PRO HG3 H 1 2.066 0.000 . 2 . . . . . 63 Pro HG3 . 27683 1 645 . 1 1 63 63 PRO HD2 H 1 3.961 0.000 . 1 . . . . . 63 Pro HD2 . 27683 1 646 . 1 1 63 63 PRO HD3 H 1 3.961 0.000 . 1 . . . . . 63 Pro HD3 . 27683 1 647 . 1 1 63 63 PRO CA C 13 65.700 0.000 . 1 . . . . . 63 Pro CA . 27683 1 648 . 1 1 63 63 PRO CB C 13 32.047 0.000 . 1 . . . . . 63 Pro CB . 27683 1 649 . 1 1 63 63 PRO CG C 13 27.803 0.000 . 1 . . . . . 63 Pro CG . 27683 1 650 . 1 1 63 63 PRO CD C 13 50.840 0.000 . 1 . . . . . 63 Pro CD . 27683 1 651 . 1 1 64 64 ASN HA H 1 4.533 0.000 . 1 . . . . . 64 Asn HA . 27683 1 652 . 1 1 64 64 ASN HB2 H 1 2.825 0.000 . 2 . . . . . 64 Asn HB2 . 27683 1 653 . 1 1 64 64 ASN HB3 H 1 2.822 0.000 . 2 . . . . . 64 Asn HB3 . 27683 1 654 . 1 1 64 64 ASN C C 13 177.837 0.000 . 1 . . . . . 64 Asn C . 27683 1 655 . 1 1 64 64 ASN CA C 13 55.899 0.000 . 1 . . . . . 64 Asn CA . 27683 1 656 . 1 1 64 64 ASN CB C 13 37.742 0.000 . 1 . . . . . 64 Asn CB . 27683 1 657 . 1 1 65 65 LYS H H 1 7.768 0.000 . 1 . . . . . 65 Lys H . 27683 1 658 . 1 1 65 65 LYS HA H 1 4.200 0.000 . 1 . . . . . 65 Lys HA . 27683 1 659 . 1 1 65 65 LYS HB2 H 1 1.846 0.000 . 2 . . . . . 65 Lys HB2 . 27683 1 660 . 1 1 65 65 LYS HB3 H 1 1.835 0.000 . 2 . . . . . 65 Lys HB3 . 27683 1 661 . 1 1 65 65 LYS HG2 H 1 1.569 0.000 . 2 . . . . . 65 Lys HG2 . 27683 1 662 . 1 1 65 65 LYS HG3 H 1 1.494 0.000 . 2 . . . . . 65 Lys HG3 . 27683 1 663 . 1 1 65 65 LYS HD2 H 1 1.699 0.000 . 2 . . . . . 65 Lys HD2 . 27683 1 664 . 1 1 65 65 LYS HD3 H 1 1.705 0.000 . 2 . . . . . 65 Lys HD3 . 27683 1 665 . 1 1 65 65 LYS HE2 H 1 2.962 0.000 . 2 . . . . . 65 Lys HE2 . 27683 1 666 . 1 1 65 65 LYS HE3 H 1 2.961 0.000 . 2 . . . . . 65 Lys HE3 . 27683 1 667 . 1 1 65 65 LYS C C 13 178.640 0.000 . 1 . . . . . 65 Lys C . 27683 1 668 . 1 1 65 65 LYS CA C 13 57.722 0.000 . 1 . . . . . 65 Lys CA . 27683 1 669 . 1 1 65 65 LYS CB C 13 32.059 0.000 . 1 . . . . . 65 Lys CB . 27683 1 670 . 1 1 65 65 LYS CG C 13 25.111 0.000 . 1 . . . . . 65 Lys CG . 27683 1 671 . 1 1 65 65 LYS CD C 13 28.527 0.000 . 1 . . . . . 65 Lys CD . 27683 1 672 . 1 1 65 65 LYS CE C 13 42.292 0.000 . 1 . . . . . 65 Lys CE . 27683 1 673 . 1 1 65 65 LYS N N 15 120.894 0.000 . 1 . . . . . 65 Lys N . 27683 1 674 . 1 1 66 66 LEU H H 1 7.856 0.000 . 1 . . . . . 66 Leu H . 27683 1 675 . 1 1 66 66 LEU HA H 1 4.114 0.000 . 1 . . . . . 66 Leu HA . 27683 1 676 . 1 1 66 66 LEU HB2 H 1 1.698 0.000 . 2 . . . . . 66 Leu HB2 . 27683 1 677 . 1 1 66 66 LEU HB3 H 1 2.006 0.000 . 2 . . . . . 66 Leu HB3 . 27683 1 678 . 1 1 66 66 LEU HG H 1 1.808 0.000 . 1 . . . . . 66 Leu HG . 27683 1 679 . 1 1 66 66 LEU HD11 H 1 0.890 0.000 . 2 . . . . . 66 Leu HD11 . 27683 1 680 . 1 1 66 66 LEU HD12 H 1 0.890 0.000 . 2 . . . . . 66 Leu HD12 . 27683 1 681 . 1 1 66 66 LEU HD13 H 1 0.890 0.000 . 2 . . . . . 66 Leu HD13 . 27683 1 682 . 1 1 66 66 LEU HD21 H 1 0.913 0.000 . 2 . . . . . 66 Leu HD21 . 27683 1 683 . 1 1 66 66 LEU HD22 H 1 0.913 0.000 . 2 . . . . . 66 Leu HD22 . 27683 1 684 . 1 1 66 66 LEU HD23 H 1 0.913 0.000 . 2 . . . . . 66 Leu HD23 . 27683 1 685 . 1 1 66 66 LEU C C 13 178.942 0.000 . 1 . . . . . 66 Leu C . 27683 1 686 . 1 1 66 66 LEU CA C 13 57.881 0.000 . 1 . . . . . 66 Leu CA . 27683 1 687 . 1 1 66 66 LEU CB C 13 41.158 0.000 . 1 . . . . . 66 Leu CB . 27683 1 688 . 1 1 66 66 LEU CG C 13 26.948 0.000 . 1 . . . . . 66 Leu CG . 27683 1 689 . 1 1 66 66 LEU CD1 C 13 23.097 0.000 . 2 . . . . . 66 Leu CD1 . 27683 1 690 . 1 1 66 66 LEU CD2 C 13 25.560 0.000 . 2 . . . . . 66 Leu CD2 . 27683 1 691 . 1 1 66 66 LEU N N 15 118.961 0.000 . 1 . . . . . 66 Leu N . 27683 1 692 . 1 1 67 67 GLN H H 1 8.128 0.000 . 1 . . . . . 67 Gln H . 27683 1 693 . 1 1 67 67 GLN HA H 1 4.185 0.000 . 1 . . . . . 67 Gln HA . 27683 1 694 . 1 1 67 67 GLN HB2 H 1 2.222 0.000 . 2 . . . . . 67 Gln HB2 . 27683 1 695 . 1 1 67 67 GLN HB3 H 1 2.220 0.000 . 2 . . . . . 67 Gln HB3 . 27683 1 696 . 1 1 67 67 GLN HG2 H 1 2.510 0.000 . 2 . . . . . 67 Gln HG2 . 27683 1 697 . 1 1 67 67 GLN HG3 H 1 2.499 0.000 . 2 . . . . . 67 Gln HG3 . 27683 1 698 . 1 1 67 67 GLN C C 13 178.425 0.000 . 1 . . . . . 67 Gln C . 27683 1 699 . 1 1 67 67 GLN CA C 13 58.874 0.000 . 1 . . . . . 67 Gln CA . 27683 1 700 . 1 1 67 67 GLN CB C 13 28.056 0.000 . 1 . . . . . 67 Gln CB . 27683 1 701 . 1 1 67 67 GLN CG C 13 33.664 0.000 . 1 . . . . . 67 Gln CG . 27683 1 702 . 1 1 67 67 GLN N N 15 118.581 0.000 . 1 . . . . . 67 Gln N . 27683 1 703 . 1 1 68 68 ALA H H 1 7.732 0.000 . 1 . . . . . 68 Ala H . 27683 1 704 . 1 1 68 68 ALA HA H 1 4.167 0.000 . 1 . . . . . 68 Ala HA . 27683 1 705 . 1 1 68 68 ALA HB1 H 1 1.508 0.000 . 1 . . . . . 68 Ala HB1 . 27683 1 706 . 1 1 68 68 ALA HB2 H 1 1.508 0.000 . 1 . . . . . 68 Ala HB2 . 27683 1 707 . 1 1 68 68 ALA HB3 H 1 1.508 0.000 . 1 . . . . . 68 Ala HB3 . 27683 1 708 . 1 1 68 68 ALA C C 13 181.076 0.000 . 1 . . . . . 68 Ala C . 27683 1 709 . 1 1 68 68 ALA CA C 13 55.201 0.000 . 1 . . . . . 68 Ala CA . 27683 1 710 . 1 1 68 68 ALA CB C 13 17.834 0.000 . 1 . . . . . 68 Ala CB . 27683 1 711 . 1 1 68 68 ALA N N 15 121.245 0.000 . 1 . . . . . 68 Ala N . 27683 1 712 . 1 1 69 69 LEU H H 1 7.704 0.000 . 1 . . . . . 69 Leu H . 27683 1 713 . 1 1 69 69 LEU HA H 1 3.902 0.000 . 1 . . . . . 69 Leu HA . 27683 1 714 . 1 1 69 69 LEU HB2 H 1 0.386 0.000 . 2 . . . . . 69 Leu HB2 . 27683 1 715 . 1 1 69 69 LEU HB3 H 1 1.730 0.000 . 2 . . . . . 69 Leu HB3 . 27683 1 716 . 1 1 69 69 LEU HG H 1 1.610 0.000 . 1 . . . . . 69 Leu HG . 27683 1 717 . 1 1 69 69 LEU HD11 H 1 0.482 0.000 . 2 . . . . . 69 Leu HD11 . 27683 1 718 . 1 1 69 69 LEU HD12 H 1 0.482 0.000 . 2 . . . . . 69 Leu HD12 . 27683 1 719 . 1 1 69 69 LEU HD13 H 1 0.482 0.000 . 2 . . . . . 69 Leu HD13 . 27683 1 720 . 1 1 69 69 LEU HD21 H 1 0.539 0.000 . 2 . . . . . 69 Leu HD21 . 27683 1 721 . 1 1 69 69 LEU HD22 H 1 0.539 0.000 . 2 . . . . . 69 Leu HD22 . 27683 1 722 . 1 1 69 69 LEU HD23 H 1 0.539 0.000 . 2 . . . . . 69 Leu HD23 . 27683 1 723 . 1 1 69 69 LEU C C 13 178.476 0.000 . 1 . . . . . 69 Leu C . 27683 1 724 . 1 1 69 69 LEU CA C 13 57.999 0.000 . 1 . . . . . 69 Leu CA . 27683 1 725 . 1 1 69 69 LEU CB C 13 40.611 0.000 . 1 . . . . . 69 Leu CB . 27683 1 726 . 1 1 69 69 LEU CG C 13 26.616 0.000 . 1 . . . . . 69 Leu CG . 27683 1 727 . 1 1 69 69 LEU CD1 C 13 22.525 0.000 . 2 . . . . . 69 Leu CD1 . 27683 1 728 . 1 1 69 69 LEU CD2 C 13 26.449 0.000 . 2 . . . . . 69 Leu CD2 . 27683 1 729 . 1 1 69 69 LEU N N 15 121.048 0.000 . 1 . . . . . 69 Leu N . 27683 1 730 . 1 1 70 70 ASN H H 1 8.139 0.000 . 1 . . . . . 70 Asn H . 27683 1 731 . 1 1 70 70 ASN HB2 H 1 3.323 0.000 . 2 . . . . . 70 Asn HB2 . 27683 1 732 . 1 1 70 70 ASN HB3 H 1 2.619 0.000 . 2 . . . . . 70 Asn HB3 . 27683 1 733 . 1 1 70 70 ASN C C 13 177.898 0.000 . 1 . . . . . 70 Asn C . 27683 1 734 . 1 1 70 70 ASN CB C 13 37.541 0.000 . 1 . . . . . 70 Asn CB . 27683 1 735 . 1 1 70 70 ASN N N 15 118.814 0.000 . 1 . . . . . 70 Asn N . 27683 1 736 . 1 1 71 71 MET H H 1 8.255 0.000 . 1 . . . . . 71 Met H . 27683 1 737 . 1 1 71 71 MET HA H 1 4.270 0.000 . 1 . . . . . 71 Met HA . 27683 1 738 . 1 1 71 71 MET HB2 H 1 2.327 0.000 . 2 . . . . . 71 Met HB2 . 27683 1 739 . 1 1 71 71 MET HB3 H 1 2.281 0.000 . 2 . . . . . 71 Met HB3 . 27683 1 740 . 1 1 71 71 MET HG2 H 1 2.887 0.000 . 2 . . . . . 71 Met HG2 . 27683 1 741 . 1 1 71 71 MET HG3 H 1 2.711 0.000 . 2 . . . . . 71 Met HG3 . 27683 1 742 . 1 1 71 71 MET HE1 H 1 2.139 0.000 . 1 . . . . . 71 Met HE1 . 27683 1 743 . 1 1 71 71 MET HE2 H 1 2.139 0.000 . 1 . . . . . 71 Met HE2 . 27683 1 744 . 1 1 71 71 MET HE3 H 1 2.139 0.000 . 1 . . . . . 71 Met HE3 . 27683 1 745 . 1 1 71 71 MET C C 13 178.115 0.000 . 1 . . . . . 71 Met C . 27683 1 746 . 1 1 71 71 MET CA C 13 59.248 0.000 . 1 . . . . . 71 Met CA . 27683 1 747 . 1 1 71 71 MET CB C 13 32.601 0.000 . 1 . . . . . 71 Met CB . 27683 1 748 . 1 1 71 71 MET CG C 13 33.016 0.000 . 1 . . . . . 71 Met CG . 27683 1 749 . 1 1 71 71 MET CE C 13 17.542 0.000 . 1 . . . . . 71 Met CE . 27683 1 750 . 1 1 71 71 MET N N 15 117.211 0.000 . 1 . . . . . 71 Met N . 27683 1 751 . 1 1 72 72 ALA H H 1 8.119 0.000 . 1 . . . . . 72 Ala H . 27683 1 752 . 1 1 72 72 ALA HA H 1 4.085 0.000 . 1 . . . . . 72 Ala HA . 27683 1 753 . 1 1 72 72 ALA HB1 H 1 1.462 0.000 . 1 . . . . . 72 Ala HB1 . 27683 1 754 . 1 1 72 72 ALA HB2 H 1 1.462 0.000 . 1 . . . . . 72 Ala HB2 . 27683 1 755 . 1 1 72 72 ALA HB3 H 1 1.462 0.000 . 1 . . . . . 72 Ala HB3 . 27683 1 756 . 1 1 72 72 ALA C C 13 180.378 0.000 . 1 . . . . . 72 Ala C . 27683 1 757 . 1 1 72 72 ALA CA C 13 55.201 0.000 . 1 . . . . . 72 Ala CA . 27683 1 758 . 1 1 72 72 ALA CB C 13 18.010 0.000 . 1 . . . . . 72 Ala CB . 27683 1 759 . 1 1 72 72 ALA N N 15 123.657 0.000 . 1 . . . . . 72 Ala N . 27683 1 760 . 1 1 73 73 PHE H H 1 8.547 0.000 . 1 . . . . . 73 Phe H . 27683 1 761 . 1 1 73 73 PHE HA H 1 4.455 0.000 . 1 . . . . . 73 Phe HA . 27683 1 762 . 1 1 73 73 PHE HB2 H 1 3.379 0.000 . 2 . . . . . 73 Phe HB2 . 27683 1 763 . 1 1 73 73 PHE HB3 H 1 3.347 0.000 . 2 . . . . . 73 Phe HB3 . 27683 1 764 . 1 1 73 73 PHE HD1 H 1 7.293 0.000 . 1 . . . . . 73 Phe HD1 . 27683 1 765 . 1 1 73 73 PHE HD2 H 1 7.293 0.000 . 1 . . . . . 73 Phe HD2 . 27683 1 766 . 1 1 73 73 PHE C C 13 176.901 0.000 . 1 . . . . . 73 Phe C . 27683 1 767 . 1 1 73 73 PHE CA C 13 59.072 0.000 . 1 . . . . . 73 Phe CA . 27683 1 768 . 1 1 73 73 PHE CB C 13 39.813 0.000 . 1 . . . . . 73 Phe CB . 27683 1 769 . 1 1 73 73 PHE N N 15 118.900 0.000 . 1 . . . . . 73 Phe N . 27683 1 770 . 1 1 74 74 ALA H H 1 8.858 0.000 . 1 . . . . . 74 Ala H . 27683 1 771 . 1 1 74 74 ALA HA H 1 3.795 0.000 . 1 . . . . . 74 Ala HA . 27683 1 772 . 1 1 74 74 ALA HB1 H 1 1.671 0.000 . 1 . . . . . 74 Ala HB1 . 27683 1 773 . 1 1 74 74 ALA HB2 H 1 1.671 0.000 . 1 . . . . . 74 Ala HB2 . 27683 1 774 . 1 1 74 74 ALA HB3 H 1 1.671 0.000 . 1 . . . . . 74 Ala HB3 . 27683 1 775 . 1 1 74 74 ALA C C 13 179.106 0.000 . 1 . . . . . 74 Ala C . 27683 1 776 . 1 1 74 74 ALA CA C 13 55.221 0.000 . 1 . . . . . 74 Ala CA . 27683 1 777 . 1 1 74 74 ALA CB C 13 20.936 0.000 . 1 . . . . . 74 Ala CB . 27683 1 778 . 1 1 74 74 ALA N N 15 118.732 0.000 . 1 . . . . . 74 Ala N . 27683 1 779 . 1 1 75 75 SER H H 1 8.584 0.000 . 1 . . . . . 75 Ser H . 27683 1 780 . 1 1 75 75 SER HA H 1 3.588 0.000 . 1 . . . . . 75 Ser HA . 27683 1 781 . 1 1 75 75 SER HB2 H 1 3.389 0.000 . 2 . . . . . 75 Ser HB2 . 27683 1 782 . 1 1 75 75 SER HB3 H 1 3.335 0.000 . 2 . . . . . 75 Ser HB3 . 27683 1 783 . 1 1 75 75 SER C C 13 177.408 0.000 . 1 . . . . . 75 Ser C . 27683 1 784 . 1 1 75 75 SER CA C 13 61.963 0.000 . 1 . . . . . 75 Ser CA . 27683 1 785 . 1 1 75 75 SER CB C 13 62.011 0.000 . 1 . . . . . 75 Ser CB . 27683 1 786 . 1 1 75 75 SER N N 15 113.163 0.000 . 1 . . . . . 75 Ser N . 27683 1 787 . 1 1 76 76 SER H H 1 7.626 0.000 . 1 . . . . . 76 Ser H . 27683 1 788 . 1 1 76 76 SER HA H 1 4.303 0.000 . 1 . . . . . 76 Ser HA . 27683 1 789 . 1 1 76 76 SER HB2 H 1 3.787 0.000 . 2 . . . . . 76 Ser HB2 . 27683 1 790 . 1 1 76 76 SER HB3 H 1 3.761 0.000 . 2 . . . . . 76 Ser HB3 . 27683 1 791 . 1 1 76 76 SER C C 13 176.714 0.000 . 1 . . . . . 76 Ser C . 27683 1 792 . 1 1 76 76 SER CA C 13 62.531 0.000 . 1 . . . . . 76 Ser CA . 27683 1 793 . 1 1 76 76 SER CB C 13 63.632 0.000 . 1 . . . . . 76 Ser CB . 27683 1 794 . 1 1 76 76 SER N N 15 118.166 0.000 . 1 . . . . . 76 Ser N . 27683 1 795 . 1 1 77 77 LEU H H 1 7.870 0.000 . 1 . . . . . 77 Leu H . 27683 1 796 . 1 1 77 77 LEU HA H 1 3.928 0.000 . 1 . . . . . 77 Leu HA . 27683 1 797 . 1 1 77 77 LEU HB2 H 1 1.866 0.000 . 2 . . . . . 77 Leu HB2 . 27683 1 798 . 1 1 77 77 LEU HB3 H 1 1.170 0.000 . 2 . . . . . 77 Leu HB3 . 27683 1 799 . 1 1 77 77 LEU HG H 1 1.414 0.000 . 1 . . . . . 77 Leu HG . 27683 1 800 . 1 1 77 77 LEU HD11 H 1 0.077 0.000 . 2 . . . . . 77 Leu HD11 . 27683 1 801 . 1 1 77 77 LEU HD12 H 1 0.077 0.000 . 2 . . . . . 77 Leu HD12 . 27683 1 802 . 1 1 77 77 LEU HD13 H 1 0.077 0.000 . 2 . . . . . 77 Leu HD13 . 27683 1 803 . 1 1 77 77 LEU HD21 H 1 0.755 0.000 . 2 . . . . . 77 Leu HD21 . 27683 1 804 . 1 1 77 77 LEU HD22 H 1 0.755 0.000 . 2 . . . . . 77 Leu HD22 . 27683 1 805 . 1 1 77 77 LEU HD23 H 1 0.755 0.000 . 2 . . . . . 77 Leu HD23 . 27683 1 806 . 1 1 77 77 LEU C C 13 178.577 0.000 . 1 . . . . . 77 Leu C . 27683 1 807 . 1 1 77 77 LEU CA C 13 57.687 0.000 . 1 . . . . . 77 Leu CA . 27683 1 808 . 1 1 77 77 LEU CB C 13 42.518 0.000 . 1 . . . . . 77 Leu CB . 27683 1 809 . 1 1 77 77 LEU CG C 13 26.347 0.000 . 1 . . . . . 77 Leu CG . 27683 1 810 . 1 1 77 77 LEU CD1 C 13 24.315 0.000 . 2 . . . . . 77 Leu CD1 . 27683 1 811 . 1 1 77 77 LEU CD2 C 13 23.214 0.000 . 2 . . . . . 77 Leu CD2 . 27683 1 812 . 1 1 77 77 LEU N N 15 120.936 0.000 . 1 . . . . . 77 Leu N . 27683 1 813 . 1 1 78 78 ALA H H 1 8.607 0.000 . 1 . . . . . 78 Ala H . 27683 1 814 . 1 1 78 78 ALA HA H 1 3.942 0.000 . 1 . . . . . 78 Ala HA . 27683 1 815 . 1 1 78 78 ALA HB1 H 1 1.676 0.000 . 1 . . . . . 78 Ala HB1 . 27683 1 816 . 1 1 78 78 ALA HB2 H 1 1.676 0.000 . 1 . . . . . 78 Ala HB2 . 27683 1 817 . 1 1 78 78 ALA HB3 H 1 1.676 0.000 . 1 . . . . . 78 Ala HB3 . 27683 1 818 . 1 1 78 78 ALA C C 13 178.855 0.000 . 1 . . . . . 78 Ala C . 27683 1 819 . 1 1 78 78 ALA CA C 13 55.420 0.000 . 1 . . . . . 78 Ala CA . 27683 1 820 . 1 1 78 78 ALA CB C 13 20.102 0.000 . 1 . . . . . 78 Ala CB . 27683 1 821 . 1 1 78 78 ALA N N 15 120.947 0.000 . 1 . . . . . 78 Ala N . 27683 1 822 . 1 1 79 79 GLU H H 1 7.647 0.000 . 1 . . . . . 79 Glu H . 27683 1 823 . 1 1 79 79 GLU HA H 1 3.989 0.000 . 1 . . . . . 79 Glu HA . 27683 1 824 . 1 1 79 79 GLU HB2 H 1 2.186 0.000 . 2 . . . . . 79 Glu HB2 . 27683 1 825 . 1 1 79 79 GLU HB3 H 1 2.125 0.000 . 2 . . . . . 79 Glu HB3 . 27683 1 826 . 1 1 79 79 GLU HG2 H 1 2.443 0.000 . 2 . . . . . 79 Glu HG2 . 27683 1 827 . 1 1 79 79 GLU HG3 H 1 2.438 0.000 . 2 . . . . . 79 Glu HG3 . 27683 1 828 . 1 1 79 79 GLU C C 13 179.248 0.000 . 1 . . . . . 79 Glu C . 27683 1 829 . 1 1 79 79 GLU CA C 13 59.339 0.000 . 1 . . . . . 79 Glu CA . 27683 1 830 . 1 1 79 79 GLU CB C 13 29.631 0.000 . 1 . . . . . 79 Glu CB . 27683 1 831 . 1 1 79 79 GLU CG C 13 36.291 0.000 . 1 . . . . . 79 Glu CG . 27683 1 832 . 1 1 79 79 GLU N N 15 117.076 0.000 . 1 . . . . . 79 Glu N . 27683 1 833 . 1 1 80 80 ILE H H 1 7.348 0.000 . 1 . . . . . 80 Ile H . 27683 1 834 . 1 1 80 80 ILE HA H 1 3.971 0.000 . 1 . . . . . 80 Ile HA . 27683 1 835 . 1 1 80 80 ILE HB H 1 2.047 0.000 . 1 . . . . . 80 Ile HB . 27683 1 836 . 1 1 80 80 ILE HG12 H 1 1.717 0.000 . 2 . . . . . 80 Ile HG12 . 27683 1 837 . 1 1 80 80 ILE HG13 H 1 1.461 0.000 . 2 . . . . . 80 Ile HG13 . 27683 1 838 . 1 1 80 80 ILE HG21 H 1 1.063 0.000 . 1 . . . . . 80 Ile HG21 . 27683 1 839 . 1 1 80 80 ILE HG22 H 1 1.063 0.000 . 1 . . . . . 80 Ile HG22 . 27683 1 840 . 1 1 80 80 ILE HG23 H 1 1.063 0.000 . 1 . . . . . 80 Ile HG23 . 27683 1 841 . 1 1 80 80 ILE HD11 H 1 0.897 0.000 . 1 . . . . . 80 Ile HD11 . 27683 1 842 . 1 1 80 80 ILE HD12 H 1 0.897 0.000 . 1 . . . . . 80 Ile HD12 . 27683 1 843 . 1 1 80 80 ILE HD13 H 1 0.897 0.000 . 1 . . . . . 80 Ile HD13 . 27683 1 844 . 1 1 80 80 ILE C C 13 178.544 0.000 . 1 . . . . . 80 Ile C . 27683 1 845 . 1 1 80 80 ILE CA C 13 63.543 0.000 . 1 . . . . . 80 Ile CA . 27683 1 846 . 1 1 80 80 ILE CB C 13 38.216 0.000 . 1 . . . . . 80 Ile CB . 27683 1 847 . 1 1 80 80 ILE CG1 C 13 29.132 0.000 . 1 . . . . . 80 Ile CG1 . 27683 1 848 . 1 1 80 80 ILE CG2 C 13 18.078 0.000 . 1 . . . . . 80 Ile CG2 . 27683 1 849 . 1 1 80 80 ILE CD1 C 13 13.508 0.000 . 1 . . . . . 80 Ile CD1 . 27683 1 850 . 1 1 80 80 ILE N N 15 117.547 0.000 . 1 . . . . . 80 Ile N . 27683 1 851 . 1 1 81 81 ALA H H 1 8.866 0.000 . 1 . . . . . 81 Ala H . 27683 1 852 . 1 1 81 81 ALA HA H 1 3.987 0.000 . 1 . . . . . 81 Ala HA . 27683 1 853 . 1 1 81 81 ALA HB1 H 1 1.333 0.000 . 1 . . . . . 81 Ala HB1 . 27683 1 854 . 1 1 81 81 ALA HB2 H 1 1.333 0.000 . 1 . . . . . 81 Ala HB2 . 27683 1 855 . 1 1 81 81 ALA HB3 H 1 1.333 0.000 . 1 . . . . . 81 Ala HB3 . 27683 1 856 . 1 1 81 81 ALA C C 13 176.997 0.000 . 1 . . . . . 81 Ala C . 27683 1 857 . 1 1 81 81 ALA CA C 13 54.523 0.000 . 1 . . . . . 81 Ala CA . 27683 1 858 . 1 1 81 81 ALA CB C 13 17.980 0.000 . 1 . . . . . 81 Ala CB . 27683 1 859 . 1 1 81 81 ALA N N 15 122.697 0.000 . 1 . . . . . 81 Ala N . 27683 1 860 . 1 1 82 82 ALA H H 1 7.867 0.000 . 1 . . . . . 82 Ala H . 27683 1 861 . 1 1 82 82 ALA HA H 1 4.283 0.000 . 1 . . . . . 82 Ala HA . 27683 1 862 . 1 1 82 82 ALA HB1 H 1 1.504 0.000 . 1 . . . . . 82 Ala HB1 . 27683 1 863 . 1 1 82 82 ALA HB2 H 1 1.504 0.000 . 1 . . . . . 82 Ala HB2 . 27683 1 864 . 1 1 82 82 ALA HB3 H 1 1.504 0.000 . 1 . . . . . 82 Ala HB3 . 27683 1 865 . 1 1 82 82 ALA C C 13 177.592 0.000 . 1 . . . . . 82 Ala C . 27683 1 866 . 1 1 82 82 ALA CA C 13 52.300 0.000 . 1 . . . . . 82 Ala CA . 27683 1 867 . 1 1 82 82 ALA CB C 13 19.146 0.000 . 1 . . . . . 82 Ala CB . 27683 1 868 . 1 1 82 82 ALA N N 15 115.830 0.000 . 1 . . . . . 82 Ala N . 27683 1 869 . 1 1 83 83 SER H H 1 7.284 0.000 . 1 . . . . . 83 Ser H . 27683 1 870 . 1 1 83 83 SER HA H 1 4.331 0.000 . 1 . . . . . 83 Ser HA . 27683 1 871 . 1 1 83 83 SER HB2 H 1 4.131 0.000 . 2 . . . . . 83 Ser HB2 . 27683 1 872 . 1 1 83 83 SER HB3 H 1 3.976 0.000 . 2 . . . . . 83 Ser HB3 . 27683 1 873 . 1 1 83 83 SER C C 13 175.370 0.000 . 1 . . . . . 83 Ser C . 27683 1 874 . 1 1 83 83 SER CA C 13 58.809 0.000 . 1 . . . . . 83 Ser CA . 27683 1 875 . 1 1 83 83 SER CB C 13 63.805 0.000 . 1 . . . . . 83 Ser CB . 27683 1 876 . 1 1 83 83 SER N N 15 113.034 0.000 . 1 . . . . . 83 Ser N . 27683 1 877 . 1 1 84 84 GLU H H 1 8.663 0.000 . 1 . . . . . 84 Glu H . 27683 1 878 . 1 1 84 84 GLU HA H 1 4.348 0.000 . 1 . . . . . 84 Glu HA . 27683 1 879 . 1 1 84 84 GLU HB2 H 1 2.159 0.000 . 2 . . . . . 84 Glu HB2 . 27683 1 880 . 1 1 84 84 GLU HB3 H 1 1.963 0.000 . 2 . . . . . 84 Glu HB3 . 27683 1 881 . 1 1 84 84 GLU HG2 H 1 2.331 0.000 . 2 . . . . . 84 Glu HG2 . 27683 1 882 . 1 1 84 84 GLU HG3 H 1 2.286 0.000 . 2 . . . . . 84 Glu HG3 . 27683 1 883 . 1 1 84 84 GLU C C 13 177.255 0.000 . 1 . . . . . 84 Glu C . 27683 1 884 . 1 1 84 84 GLU CA C 13 56.772 0.000 . 1 . . . . . 84 Glu CA . 27683 1 885 . 1 1 84 84 GLU CB C 13 30.136 0.000 . 1 . . . . . 84 Glu CB . 27683 1 886 . 1 1 84 84 GLU CG C 13 36.556 0.000 . 1 . . . . . 84 Glu CG . 27683 1 887 . 1 1 84 84 GLU N N 15 124.166 0.000 . 1 . . . . . 84 Glu N . 27683 1 888 . 1 1 85 85 GLU H H 1 8.346 0.000 . 1 . . . . . 85 Glu H . 27683 1 889 . 1 1 85 85 GLU HA H 1 4.176 0.000 . 1 . . . . . 85 Glu HA . 27683 1 890 . 1 1 85 85 GLU HB2 H 1 1.972 0.000 . 2 . . . . . 85 Glu HB2 . 27683 1 891 . 1 1 85 85 GLU HB3 H 1 1.927 0.000 . 2 . . . . . 85 Glu HB3 . 27683 1 892 . 1 1 85 85 GLU HG2 H 1 2.278 0.000 . 2 . . . . . 85 Glu HG2 . 27683 1 893 . 1 1 85 85 GLU HG3 H 1 2.223 0.000 . 2 . . . . . 85 Glu HG3 . 27683 1 894 . 1 1 85 85 GLU C C 13 177.255 0.000 . 1 . . . . . 85 Glu C . 27683 1 895 . 1 1 85 85 GLU CA C 13 57.503 0.000 . 1 . . . . . 85 Glu CA . 27683 1 896 . 1 1 85 85 GLU CB C 13 29.796 0.000 . 1 . . . . . 85 Glu CB . 27683 1 897 . 1 1 85 85 GLU CG C 13 36.360 0.000 . 1 . . . . . 85 Glu CG . 27683 1 898 . 1 1 85 85 GLU N N 15 121.667 0.000 . 1 . . . . . 85 Glu N . 27683 1 899 . 1 1 86 86 GLY H H 1 8.599 0.000 . 1 . . . . . 86 Gly H . 27683 1 900 . 1 1 86 86 GLY HA2 H 1 4.153 0.000 . 2 . . . . . 86 Gly HA2 . 27683 1 901 . 1 1 86 86 GLY HA3 H 1 3.665 0.000 . 2 . . . . . 86 Gly HA3 . 27683 1 902 . 1 1 86 86 GLY C C 13 174.988 0.000 . 1 . . . . . 86 Gly C . 27683 1 903 . 1 1 86 86 GLY CA C 13 45.345 0.000 . 1 . . . . . 86 Gly CA . 27683 1 904 . 1 1 86 86 GLY N N 15 110.971 0.000 . 1 . . . . . 86 Gly N . 27683 1 905 . 1 1 87 87 GLY H H 1 8.107 0.000 . 1 . . . . . 87 Gly H . 27683 1 906 . 1 1 87 87 GLY HA2 H 1 4.036 0.000 . 2 . . . . . 87 Gly HA2 . 27683 1 907 . 1 1 87 87 GLY HA3 H 1 3.876 0.000 . 2 . . . . . 87 Gly HA3 . 27683 1 908 . 1 1 87 87 GLY C C 13 174.312 0.000 . 1 . . . . . 87 Gly C . 27683 1 909 . 1 1 87 87 GLY CA C 13 45.047 0.000 . 1 . . . . . 87 Gly CA . 27683 1 910 . 1 1 87 87 GLY N N 15 108.343 0.000 . 1 . . . . . 87 Gly N . 27683 1 911 . 1 1 88 88 GLY H H 1 8.118 0.000 . 1 . . . . . 88 Gly H . 27683 1 912 . 1 1 88 88 GLY HA2 H 1 4.029 0.000 . 2 . . . . . 88 Gly HA2 . 27683 1 913 . 1 1 88 88 GLY HA3 H 1 3.874 0.000 . 2 . . . . . 88 Gly HA3 . 27683 1 914 . 1 1 88 88 GLY C C 13 173.104 0.000 . 1 . . . . . 88 Gly C . 27683 1 915 . 1 1 88 88 GLY CA C 13 44.765 0.000 . 1 . . . . . 88 Gly CA . 27683 1 916 . 1 1 88 88 GLY N N 15 107.440 0.000 . 1 . . . . . 88 Gly N . 27683 1 917 . 1 1 89 89 SER H H 1 8.231 0.000 . 1 . . . . . 89 Ser H . 27683 1 918 . 1 1 89 89 SER HA H 1 4.693 0.000 . 1 . . . . . 89 Ser HA . 27683 1 919 . 1 1 89 89 SER HB2 H 1 4.205 0.000 . 2 . . . . . 89 Ser HB2 . 27683 1 920 . 1 1 89 89 SER HB3 H 1 3.961 0.000 . 2 . . . . . 89 Ser HB3 . 27683 1 921 . 1 1 89 89 SER C C 13 174.709 0.000 . 1 . . . . . 89 Ser C . 27683 1 922 . 1 1 89 89 SER CA C 13 56.907 0.000 . 1 . . . . . 89 Ser CA . 27683 1 923 . 1 1 89 89 SER CB C 13 65.666 0.000 . 1 . . . . . 89 Ser CB . 27683 1 924 . 1 1 89 89 SER N N 15 115.118 0.000 . 1 . . . . . 89 Ser N . 27683 1 925 . 1 1 90 90 LEU H H 1 8.814 0.000 . 1 . . . . . 90 Leu H . 27683 1 926 . 1 1 90 90 LEU HA H 1 4.198 0.000 . 1 . . . . . 90 Leu HA . 27683 1 927 . 1 1 90 90 LEU HB2 H 1 1.811 0.000 . 2 . . . . . 90 Leu HB2 . 27683 1 928 . 1 1 90 90 LEU HB3 H 1 1.668 0.000 . 2 . . . . . 90 Leu HB3 . 27683 1 929 . 1 1 90 90 LEU HG H 1 1.593 0.000 . 1 . . . . . 90 Leu HG . 27683 1 930 . 1 1 90 90 LEU HD11 H 1 0.916 0.000 . 2 . . . . . 90 Leu HD11 . 27683 1 931 . 1 1 90 90 LEU HD12 H 1 0.916 0.000 . 2 . . . . . 90 Leu HD12 . 27683 1 932 . 1 1 90 90 LEU HD13 H 1 0.916 0.000 . 2 . . . . . 90 Leu HD13 . 27683 1 933 . 1 1 90 90 LEU HD21 H 1 0.781 0.000 . 2 . . . . . 90 Leu HD21 . 27683 1 934 . 1 1 90 90 LEU HD22 H 1 0.781 0.000 . 2 . . . . . 90 Leu HD22 . 27683 1 935 . 1 1 90 90 LEU HD23 H 1 0.781 0.000 . 2 . . . . . 90 Leu HD23 . 27683 1 936 . 1 1 90 90 LEU C C 13 179.853 0.000 . 1 . . . . . 90 Leu C . 27683 1 937 . 1 1 90 90 LEU CA C 13 58.432 0.000 . 1 . . . . . 90 Leu CA . 27683 1 938 . 1 1 90 90 LEU CB C 13 41.404 0.000 . 1 . . . . . 90 Leu CB . 27683 1 939 . 1 1 90 90 LEU CG C 13 27.119 0.000 . 1 . . . . . 90 Leu CG . 27683 1 940 . 1 1 90 90 LEU CD1 C 13 25.899 0.000 . 2 . . . . . 90 Leu CD1 . 27683 1 941 . 1 1 90 90 LEU CD2 C 13 23.523 0.000 . 2 . . . . . 90 Leu CD2 . 27683 1 942 . 1 1 90 90 LEU N N 15 124.119 0.000 . 1 . . . . . 90 Leu N . 27683 1 943 . 1 1 91 91 SER H H 1 8.605 0.000 . 1 . . . . . 91 Ser H . 27683 1 944 . 1 1 91 91 SER HA H 1 4.232 0.000 . 1 . . . . . 91 Ser HA . 27683 1 945 . 1 1 91 91 SER HB2 H 1 3.909 0.000 . 2 . . . . . 91 Ser HB2 . 27683 1 946 . 1 1 91 91 SER HB3 H 1 3.904 0.000 . 2 . . . . . 91 Ser HB3 . 27683 1 947 . 1 1 91 91 SER C C 13 177.507 0.000 . 1 . . . . . 91 Ser C . 27683 1 948 . 1 1 91 91 SER CA C 13 61.481 0.000 . 1 . . . . . 91 Ser CA . 27683 1 949 . 1 1 91 91 SER CB C 13 62.277 0.000 . 1 . . . . . 91 Ser CB . 27683 1 950 . 1 1 91 91 SER N N 15 114.563 0.000 . 1 . . . . . 91 Ser N . 27683 1 951 . 1 1 92 92 THR H H 1 7.819 0.000 . 1 . . . . . 92 Thr H . 27683 1 952 . 1 1 92 92 THR HA H 1 4.125 0.000 . 1 . . . . . 92 Thr HA . 27683 1 953 . 1 1 92 92 THR HB H 1 4.291 0.000 . 1 . . . . . 92 Thr HB . 27683 1 954 . 1 1 92 92 THR HG21 H 1 1.213 0.000 . 1 . . . . . 92 Thr HG21 . 27683 1 955 . 1 1 92 92 THR HG22 H 1 1.213 0.000 . 1 . . . . . 92 Thr HG22 . 27683 1 956 . 1 1 92 92 THR HG23 H 1 1.213 0.000 . 1 . . . . . 92 Thr HG23 . 27683 1 957 . 1 1 92 92 THR C C 13 177.121 0.000 . 1 . . . . . 92 Thr C . 27683 1 958 . 1 1 92 92 THR CA C 13 65.994 0.000 . 1 . . . . . 92 Thr CA . 27683 1 959 . 1 1 92 92 THR CB C 13 68.200 0.000 . 1 . . . . . 92 Thr CB . 27683 1 960 . 1 1 92 92 THR CG2 C 13 21.959 0.000 . 1 . . . . . 92 Thr CG2 . 27683 1 961 . 1 1 92 92 THR N N 15 118.981 0.000 . 1 . . . . . 92 Thr N . 27683 1 962 . 1 1 93 93 LYS H H 1 8.465 0.000 . 1 . . . . . 93 Lys H . 27683 1 963 . 1 1 93 93 LYS HA H 1 4.125 0.000 . 1 . . . . . 93 Lys HA . 27683 1 964 . 1 1 93 93 LYS HB2 H 1 1.626 0.000 . 2 . . . . . 93 Lys HB2 . 27683 1 965 . 1 1 93 93 LYS HB3 H 1 2.080 0.000 . 2 . . . . . 93 Lys HB3 . 27683 1 966 . 1 1 93 93 LYS HG2 H 1 0.826 0.000 . 2 . . . . . 93 Lys HG2 . 27683 1 967 . 1 1 93 93 LYS HG3 H 1 0.820 0.000 . 2 . . . . . 93 Lys HG3 . 27683 1 968 . 1 1 93 93 LYS HD2 H 1 1.451 0.000 . 2 . . . . . 93 Lys HD2 . 27683 1 969 . 1 1 93 93 LYS HD3 H 1 1.401 0.000 . 2 . . . . . 93 Lys HD3 . 27683 1 970 . 1 1 93 93 LYS HE2 H 1 2.623 0.000 . 2 . . . . . 93 Lys HE2 . 27683 1 971 . 1 1 93 93 LYS HE3 H 1 2.680 0.000 . 2 . . . . . 93 Lys HE3 . 27683 1 972 . 1 1 93 93 LYS C C 13 179.437 0.000 . 1 . . . . . 93 Lys C . 27683 1 973 . 1 1 93 93 LYS CA C 13 60.904 0.000 . 1 . . . . . 93 Lys CA . 27683 1 974 . 1 1 93 93 LYS CB C 13 33.062 0.002 . 1 . . . . . 93 Lys CB . 27683 1 975 . 1 1 93 93 LYS CG C 13 26.519 0.000 . 1 . . . . . 93 Lys CG . 27683 1 976 . 1 1 93 93 LYS CD C 13 29.776 0.000 . 1 . . . . . 93 Lys CD . 27683 1 977 . 1 1 93 93 LYS CE C 13 42.449 0.000 . 1 . . . . . 93 Lys CE . 27683 1 978 . 1 1 93 93 LYS N N 15 121.910 0.000 . 1 . . . . . 93 Lys N . 27683 1 979 . 1 1 94 94 THR H H 1 8.775 0.000 . 1 . . . . . 94 Thr H . 27683 1 980 . 1 1 94 94 THR HA H 1 3.913 0.000 . 1 . . . . . 94 Thr HA . 27683 1 981 . 1 1 94 94 THR HB H 1 4.300 0.000 . 1 . . . . . 94 Thr HB . 27683 1 982 . 1 1 94 94 THR HG21 H 1 1.226 0.000 . 1 . . . . . 94 Thr HG21 . 27683 1 983 . 1 1 94 94 THR HG22 H 1 1.226 0.000 . 1 . . . . . 94 Thr HG22 . 27683 1 984 . 1 1 94 94 THR HG23 H 1 1.226 0.000 . 1 . . . . . 94 Thr HG23 . 27683 1 985 . 1 1 94 94 THR C C 13 176.707 0.000 . 1 . . . . . 94 Thr C . 27683 1 986 . 1 1 94 94 THR CA C 13 67.750 0.000 . 1 . . . . . 94 Thr CA . 27683 1 987 . 1 1 94 94 THR CB C 13 67.895 0.000 . 1 . . . . . 94 Thr CB . 27683 1 988 . 1 1 94 94 THR CG2 C 13 21.758 0.000 . 1 . . . . . 94 Thr CG2 . 27683 1 989 . 1 1 94 94 THR N N 15 113.874 0.000 . 1 . . . . . 94 Thr N . 27683 1 990 . 1 1 95 95 SER H H 1 8.014 0.000 . 1 . . . . . 95 Ser H . 27683 1 991 . 1 1 95 95 SER HA H 1 4.388 0.000 . 1 . . . . . 95 Ser HA . 27683 1 992 . 1 1 95 95 SER HB2 H 1 4.125 0.000 . 2 . . . . . 95 Ser HB2 . 27683 1 993 . 1 1 95 95 SER HB3 H 1 4.123 0.000 . 2 . . . . . 95 Ser HB3 . 27683 1 994 . 1 1 95 95 SER C C 13 177.823 0.000 . 1 . . . . . 95 Ser C . 27683 1 995 . 1 1 95 95 SER CA C 13 62.098 0.000 . 1 . . . . . 95 Ser CA . 27683 1 996 . 1 1 95 95 SER CB C 13 62.408 0.000 . 1 . . . . . 95 Ser CB . 27683 1 997 . 1 1 95 95 SER N N 15 118.701 0.000 . 1 . . . . . 95 Ser N . 27683 1 998 . 1 1 96 96 SER H H 1 8.495 0.000 . 1 . . . . . 96 Ser H . 27683 1 999 . 1 1 96 96 SER HA H 1 4.423 0.000 . 1 . . . . . 96 Ser HA . 27683 1 1000 . 1 1 96 96 SER HB2 H 1 4.100 0.000 . 1 . . . . . 96 Ser HB2 . 27683 1 1001 . 1 1 96 96 SER HB3 H 1 4.100 0.000 . 1 . . . . . 96 Ser HB3 . 27683 1 1002 . 1 1 96 96 SER C C 13 175.479 0.000 . 1 . . . . . 96 Ser C . 27683 1 1003 . 1 1 96 96 SER CA C 13 62.724 0.000 . 1 . . . . . 96 Ser CA . 27683 1 1004 . 1 1 96 96 SER CB C 13 62.694 0.000 . 1 . . . . . 96 Ser CB . 27683 1 1005 . 1 1 96 96 SER N N 15 120.922 0.000 . 1 . . . . . 96 Ser N . 27683 1 1006 . 1 1 97 97 ILE H H 1 8.472 0.000 . 1 . . . . . 97 Ile H . 27683 1 1007 . 1 1 97 97 ILE HA H 1 3.698 0.000 . 1 . . . . . 97 Ile HA . 27683 1 1008 . 1 1 97 97 ILE HB H 1 2.226 0.000 . 1 . . . . . 97 Ile HB . 27683 1 1009 . 1 1 97 97 ILE HG12 H 1 2.226 0.000 . 2 . . . . . 97 Ile HG12 . 27683 1 1010 . 1 1 97 97 ILE HG13 H 1 0.998 0.000 . 2 . . . . . 97 Ile HG13 . 27683 1 1011 . 1 1 97 97 ILE HG21 H 1 0.980 0.000 . 1 . . . . . 97 Ile HG21 . 27683 1 1012 . 1 1 97 97 ILE HG22 H 1 0.980 0.000 . 1 . . . . . 97 Ile HG22 . 27683 1 1013 . 1 1 97 97 ILE HG23 H 1 0.980 0.000 . 1 . . . . . 97 Ile HG23 . 27683 1 1014 . 1 1 97 97 ILE HD11 H 1 0.983 0.000 . 1 . . . . . 97 Ile HD11 . 27683 1 1015 . 1 1 97 97 ILE HD12 H 1 0.983 0.000 . 1 . . . . . 97 Ile HD12 . 27683 1 1016 . 1 1 97 97 ILE HD13 H 1 0.983 0.000 . 1 . . . . . 97 Ile HD13 . 27683 1 1017 . 1 1 97 97 ILE C C 13 177.372 0.000 . 1 . . . . . 97 Ile C . 27683 1 1018 . 1 1 97 97 ILE CA C 13 66.538 0.000 . 1 . . . . . 97 Ile CA . 27683 1 1019 . 1 1 97 97 ILE CB C 13 38.368 0.000 . 1 . . . . . 97 Ile CB . 27683 1 1020 . 1 1 97 97 ILE CG1 C 13 30.932 0.000 . 1 . . . . . 97 Ile CG1 . 27683 1 1021 . 1 1 97 97 ILE CG2 C 13 17.291 0.000 . 1 . . . . . 97 Ile CG2 . 27683 1 1022 . 1 1 97 97 ILE CD1 C 13 14.530 0.000 . 1 . . . . . 97 Ile CD1 . 27683 1 1023 . 1 1 97 97 ILE N N 15 122.339 0.000 . 1 . . . . . 97 Ile N . 27683 1 1024 . 1 1 98 98 ALA H H 1 8.475 0.000 . 1 . . . . . 98 Ala H . 27683 1 1025 . 1 1 98 98 ALA HA H 1 4.058 0.000 . 1 . . . . . 98 Ala HA . 27683 1 1026 . 1 1 98 98 ALA HB1 H 1 1.644 0.000 . 1 . . . . . 98 Ala HB1 . 27683 1 1027 . 1 1 98 98 ALA HB2 H 1 1.644 0.000 . 1 . . . . . 98 Ala HB2 . 27683 1 1028 . 1 1 98 98 ALA HB3 H 1 1.644 0.000 . 1 . . . . . 98 Ala HB3 . 27683 1 1029 . 1 1 98 98 ALA C C 13 180.495 0.000 . 1 . . . . . 98 Ala C . 27683 1 1030 . 1 1 98 98 ALA CA C 13 56.370 0.000 . 1 . . . . . 98 Ala CA . 27683 1 1031 . 1 1 98 98 ALA CB C 13 18.052 0.000 . 1 . . . . . 98 Ala CB . 27683 1 1032 . 1 1 98 98 ALA N N 15 122.087 0.000 . 1 . . . . . 98 Ala N . 27683 1 1033 . 1 1 99 99 SER H H 1 8.424 0.000 . 1 . . . . . 99 Ser H . 27683 1 1034 . 1 1 99 99 SER HA H 1 4.360 0.000 . 1 . . . . . 99 Ser HA . 27683 1 1035 . 1 1 99 99 SER HB2 H 1 4.150 0.000 . 2 . . . . . 99 Ser HB2 . 27683 1 1036 . 1 1 99 99 SER HB3 H 1 4.060 0.000 . 2 . . . . . 99 Ser HB3 . 27683 1 1037 . 1 1 99 99 SER C C 13 176.868 0.000 . 1 . . . . . 99 Ser C . 27683 1 1038 . 1 1 99 99 SER CA C 13 61.857 0.000 . 1 . . . . . 99 Ser CA . 27683 1 1039 . 1 1 99 99 SER CB C 13 63.068 0.000 . 1 . . . . . 99 Ser CB . 27683 1 1040 . 1 1 99 99 SER N N 15 115.338 0.000 . 1 . . . . . 99 Ser N . 27683 1 1041 . 1 1 100 100 ALA H H 1 8.826 0.000 . 1 . . . . . 100 Ala H . 27683 1 1042 . 1 1 100 100 ALA HA H 1 4.271 0.000 . 1 . . . . . 100 Ala HA . 27683 1 1043 . 1 1 100 100 ALA HB1 H 1 1.509 0.000 . 1 . . . . . 100 Ala HB1 . 27683 1 1044 . 1 1 100 100 ALA HB2 H 1 1.509 0.000 . 1 . . . . . 100 Ala HB2 . 27683 1 1045 . 1 1 100 100 ALA HB3 H 1 1.509 0.000 . 1 . . . . . 100 Ala HB3 . 27683 1 1046 . 1 1 100 100 ALA C C 13 181.958 0.000 . 1 . . . . . 100 Ala C . 27683 1 1047 . 1 1 100 100 ALA CA C 13 55.287 0.000 . 1 . . . . . 100 Ala CA . 27683 1 1048 . 1 1 100 100 ALA CB C 13 18.392 0.000 . 1 . . . . . 100 Ala CB . 27683 1 1049 . 1 1 100 100 ALA N N 15 124.401 0.000 . 1 . . . . . 100 Ala N . 27683 1 1050 . 1 1 101 101 LEU H H 1 9.122 0.000 . 1 . . . . . 101 Leu H . 27683 1 1051 . 1 1 101 101 LEU HA H 1 4.121 0.000 . 1 . . . . . 101 Leu HA . 27683 1 1052 . 1 1 101 101 LEU HB2 H 1 2.527 0.000 . 2 . . . . . 101 Leu HB2 . 27683 1 1053 . 1 1 101 101 LEU HB3 H 1 1.547 0.000 . 2 . . . . . 101 Leu HB3 . 27683 1 1054 . 1 1 101 101 LEU HG H 1 2.269 0.000 . 1 . . . . . 101 Leu HG . 27683 1 1055 . 1 1 101 101 LEU HD11 H 1 0.679 0.000 . 2 . . . . . 101 Leu HD11 . 27683 1 1056 . 1 1 101 101 LEU HD12 H 1 0.679 0.000 . 2 . . . . . 101 Leu HD12 . 27683 1 1057 . 1 1 101 101 LEU HD13 H 1 0.679 0.000 . 2 . . . . . 101 Leu HD13 . 27683 1 1058 . 1 1 101 101 LEU HD21 H 1 0.937 0.000 . 2 . . . . . 101 Leu HD21 . 27683 1 1059 . 1 1 101 101 LEU HD22 H 1 0.937 0.000 . 2 . . . . . 101 Leu HD22 . 27683 1 1060 . 1 1 101 101 LEU HD23 H 1 0.937 0.000 . 2 . . . . . 101 Leu HD23 . 27683 1 1061 . 1 1 101 101 LEU C C 13 178.115 0.000 . 1 . . . . . 101 Leu C . 27683 1 1062 . 1 1 101 101 LEU CA C 13 58.362 0.000 . 1 . . . . . 101 Leu CA . 27683 1 1063 . 1 1 101 101 LEU CB C 13 43.487 0.000 . 1 . . . . . 101 Leu CB . 27683 1 1064 . 1 1 101 101 LEU CG C 13 26.529 0.000 . 1 . . . . . 101 Leu CG . 27683 1 1065 . 1 1 101 101 LEU CD1 C 13 24.517 0.000 . 2 . . . . . 101 Leu CD1 . 27683 1 1066 . 1 1 101 101 LEU CD2 C 13 27.443 0.000 . 2 . . . . . 101 Leu CD2 . 27683 1 1067 . 1 1 101 101 LEU N N 15 121.025 0.000 . 1 . . . . . 101 Leu N . 27683 1 1068 . 1 1 102 102 SER H H 1 8.390 0.000 . 1 . . . . . 102 Ser H . 27683 1 1069 . 1 1 102 102 SER HA H 1 4.220 0.000 . 1 . . . . . 102 Ser HA . 27683 1 1070 . 1 1 102 102 SER HB2 H 1 4.172 0.000 . 2 . . . . . 102 Ser HB2 . 27683 1 1071 . 1 1 102 102 SER HB3 H 1 4.166 0.000 . 2 . . . . . 102 Ser HB3 . 27683 1 1072 . 1 1 102 102 SER C C 13 176.594 0.000 . 1 . . . . . 102 Ser C . 27683 1 1073 . 1 1 102 102 SER CA C 13 62.557 0.000 . 1 . . . . . 102 Ser CA . 27683 1 1074 . 1 1 102 102 SER CB C 13 62.540 0.000 . 1 . . . . . 102 Ser CB . 27683 1 1075 . 1 1 102 102 SER N N 15 115.308 0.000 . 1 . . . . . 102 Ser N . 27683 1 1076 . 1 1 103 103 ASN H H 1 8.273 0.000 . 1 . . . . . 103 Asn H . 27683 1 1077 . 1 1 103 103 ASN HA H 1 4.475 0.000 . 1 . . . . . 103 Asn HA . 27683 1 1078 . 1 1 103 103 ASN HB2 H 1 2.826 0.000 . 2 . . . . . 103 Asn HB2 . 27683 1 1079 . 1 1 103 103 ASN HB3 H 1 2.792 0.000 . 2 . . . . . 103 Asn HB3 . 27683 1 1080 . 1 1 103 103 ASN C C 13 176.648 0.000 . 1 . . . . . 103 Asn C . 27683 1 1081 . 1 1 103 103 ASN CA C 13 56.493 0.000 . 1 . . . . . 103 Asn CA . 27683 1 1082 . 1 1 103 103 ASN CB C 13 38.459 0.000 . 1 . . . . . 103 Asn CB . 27683 1 1083 . 1 1 103 103 ASN N N 15 117.977 0.000 . 1 . . . . . 103 Asn N . 27683 1 1084 . 1 1 104 104 ALA H H 1 7.951 0.000 . 1 . . . . . 104 Ala H . 27683 1 1085 . 1 1 104 104 ALA HA H 1 4.253 0.000 . 1 . . . . . 104 Ala HA . 27683 1 1086 . 1 1 104 104 ALA HB1 H 1 0.871 0.000 . 1 . . . . . 104 Ala HB1 . 27683 1 1087 . 1 1 104 104 ALA HB2 H 1 0.871 0.000 . 1 . . . . . 104 Ala HB2 . 27683 1 1088 . 1 1 104 104 ALA HB3 H 1 0.871 0.000 . 1 . . . . . 104 Ala HB3 . 27683 1 1089 . 1 1 104 104 ALA C C 13 181.668 0.000 . 1 . . . . . 104 Ala C . 27683 1 1090 . 1 1 104 104 ALA CA C 13 54.835 0.000 . 1 . . . . . 104 Ala CA . 27683 1 1091 . 1 1 104 104 ALA CB C 13 17.850 0.000 . 1 . . . . . 104 Ala CB . 27683 1 1092 . 1 1 104 104 ALA N N 15 122.368 0.000 . 1 . . . . . 104 Ala N . 27683 1 1093 . 1 1 105 105 PHE H H 1 8.320 0.000 . 1 . . . . . 105 Phe H . 27683 1 1094 . 1 1 105 105 PHE HA H 1 4.366 0.000 . 1 . . . . . 105 Phe HA . 27683 1 1095 . 1 1 105 105 PHE HB2 H 1 3.655 0.000 . 2 . . . . . 105 Phe HB2 . 27683 1 1096 . 1 1 105 105 PHE HB3 H 1 3.279 0.000 . 2 . . . . . 105 Phe HB3 . 27683 1 1097 . 1 1 105 105 PHE HD1 H 1 7.575 0.000 . 1 . . . . . 105 Phe HD1 . 27683 1 1098 . 1 1 105 105 PHE HD2 H 1 7.575 0.000 . 1 . . . . . 105 Phe HD2 . 27683 1 1099 . 1 1 105 105 PHE C C 13 179.116 0.000 . 1 . . . . . 105 Phe C . 27683 1 1100 . 1 1 105 105 PHE CA C 13 64.075 0.000 . 1 . . . . . 105 Phe CA . 27683 1 1101 . 1 1 105 105 PHE CB C 13 39.399 0.000 . 1 . . . . . 105 Phe CB . 27683 1 1102 . 1 1 105 105 PHE N N 15 118.640 0.000 . 1 . . . . . 105 Phe N . 27683 1 1103 . 1 1 106 106 LEU H H 1 8.278 0.000 . 1 . . . . . 106 Leu H . 27683 1 1104 . 1 1 106 106 LEU HA H 1 3.731 0.000 . 1 . . . . . 106 Leu HA . 27683 1 1105 . 1 1 106 106 LEU HB2 H 1 2.007 0.000 . 2 . . . . . 106 Leu HB2 . 27683 1 1106 . 1 1 106 106 LEU HB3 H 1 1.573 0.000 . 2 . . . . . 106 Leu HB3 . 27683 1 1107 . 1 1 106 106 LEU HG H 1 1.718 0.000 . 1 . . . . . 106 Leu HG . 27683 1 1108 . 1 1 106 106 LEU HD11 H 1 0.796 0.000 . 2 . . . . . 106 Leu HD11 . 27683 1 1109 . 1 1 106 106 LEU HD12 H 1 0.796 0.000 . 2 . . . . . 106 Leu HD12 . 27683 1 1110 . 1 1 106 106 LEU HD13 H 1 0.796 0.000 . 2 . . . . . 106 Leu HD13 . 27683 1 1111 . 1 1 106 106 LEU HD21 H 1 0.898 0.000 . 2 . . . . . 106 Leu HD21 . 27683 1 1112 . 1 1 106 106 LEU HD22 H 1 0.898 0.000 . 2 . . . . . 106 Leu HD22 . 27683 1 1113 . 1 1 106 106 LEU HD23 H 1 0.898 0.000 . 2 . . . . . 106 Leu HD23 . 27683 1 1114 . 1 1 106 106 LEU C C 13 179.096 0.000 . 1 . . . . . 106 Leu C . 27683 1 1115 . 1 1 106 106 LEU CA C 13 59.048 0.000 . 1 . . . . . 106 Leu CA . 27683 1 1116 . 1 1 106 106 LEU CB C 13 41.200 0.000 . 1 . . . . . 106 Leu CB . 27683 1 1117 . 1 1 106 106 LEU CG C 13 26.640 0.000 . 1 . . . . . 106 Leu CG . 27683 1 1118 . 1 1 106 106 LEU CD1 C 13 23.001 0.000 . 2 . . . . . 106 Leu CD1 . 27683 1 1119 . 1 1 106 106 LEU CD2 C 13 24.906 0.000 . 2 . . . . . 106 Leu CD2 . 27683 1 1120 . 1 1 106 106 LEU N N 15 121.707 0.000 . 1 . . . . . 106 Leu N . 27683 1 1121 . 1 1 107 107 GLN H H 1 8.187 0.000 . 1 . . . . . 107 Gln H . 27683 1 1122 . 1 1 107 107 GLN HA H 1 4.178 0.000 . 1 . . . . . 107 Gln HA . 27683 1 1123 . 1 1 107 107 GLN HB2 H 1 2.238 0.000 . 2 . . . . . 107 Gln HB2 . 27683 1 1124 . 1 1 107 107 GLN HB3 H 1 2.020 0.000 . 2 . . . . . 107 Gln HB3 . 27683 1 1125 . 1 1 107 107 GLN HG2 H 1 2.456 0.000 . 2 . . . . . 107 Gln HG2 . 27683 1 1126 . 1 1 107 107 GLN HG3 H 1 2.453 0.000 . 2 . . . . . 107 Gln HG3 . 27683 1 1127 . 1 1 107 107 GLN C C 13 176.795 0.000 . 1 . . . . . 107 Gln C . 27683 1 1128 . 1 1 107 107 GLN CA C 13 57.396 0.000 . 1 . . . . . 107 Gln CA . 27683 1 1129 . 1 1 107 107 GLN CB C 13 29.315 0.000 . 1 . . . . . 107 Gln CB . 27683 1 1130 . 1 1 107 107 GLN CG C 13 33.807 0.000 . 1 . . . . . 107 Gln CG . 27683 1 1131 . 1 1 107 107 GLN N N 15 114.552 0.000 . 1 . . . . . 107 Gln N . 27683 1 1132 . 1 1 108 108 THR H H 1 7.691 0.000 . 1 . . . . . 108 Thr H . 27683 1 1133 . 1 1 108 108 THR HA H 1 4.508 0.000 . 1 . . . . . 108 Thr HA . 27683 1 1134 . 1 1 108 108 THR HB H 1 4.184 0.000 . 1 . . . . . 108 Thr HB . 27683 1 1135 . 1 1 108 108 THR HG21 H 1 1.220 0.000 . 1 . . . . . 108 Thr HG21 . 27683 1 1136 . 1 1 108 108 THR HG22 H 1 1.220 0.000 . 1 . . . . . 108 Thr HG22 . 27683 1 1137 . 1 1 108 108 THR HG23 H 1 1.220 0.000 . 1 . . . . . 108 Thr HG23 . 27683 1 1138 . 1 1 108 108 THR C C 13 175.767 0.000 . 1 . . . . . 108 Thr C . 27683 1 1139 . 1 1 108 108 THR CA C 13 62.528 0.000 . 1 . . . . . 108 Thr CA . 27683 1 1140 . 1 1 108 108 THR CB C 13 70.329 0.000 . 1 . . . . . 108 Thr CB . 27683 1 1141 . 1 1 108 108 THR CG2 C 13 21.844 0.000 . 1 . . . . . 108 Thr CG2 . 27683 1 1142 . 1 1 108 108 THR N N 15 108.236 0.000 . 1 . . . . . 108 Thr N . 27683 1 1143 . 1 1 109 109 THR H H 1 8.888 0.000 . 1 . . . . . 109 Thr H . 27683 1 1144 . 1 1 109 109 THR HA H 1 4.587 0.000 . 1 . . . . . 109 Thr HA . 27683 1 1145 . 1 1 109 109 THR HB H 1 4.450 0.000 . 1 . . . . . 109 Thr HB . 27683 1 1146 . 1 1 109 109 THR HG21 H 1 1.350 0.000 . 1 . . . . . 109 Thr HG21 . 27683 1 1147 . 1 1 109 109 THR HG22 H 1 1.350 0.000 . 1 . . . . . 109 Thr HG22 . 27683 1 1148 . 1 1 109 109 THR HG23 H 1 1.350 0.000 . 1 . . . . . 109 Thr HG23 . 27683 1 1149 . 1 1 109 109 THR C C 13 176.197 0.000 . 1 . . . . . 109 Thr C . 27683 1 1150 . 1 1 109 109 THR CA C 13 62.341 0.000 . 1 . . . . . 109 Thr CA . 27683 1 1151 . 1 1 109 109 THR CB C 13 70.620 0.000 . 1 . . . . . 109 Thr CB . 27683 1 1152 . 1 1 109 109 THR CG2 C 13 22.269 0.000 . 1 . . . . . 109 Thr CG2 . 27683 1 1153 . 1 1 109 109 THR N N 15 113.306 0.000 . 1 . . . . . 109 Thr N . 27683 1 1154 . 1 1 110 110 GLY H H 1 8.329 0.000 . 1 . . . . . 110 Gly H . 27683 1 1155 . 1 1 110 110 GLY HA2 H 1 4.409 0.000 . 2 . . . . . 110 Gly HA2 . 27683 1 1156 . 1 1 110 110 GLY HA3 H 1 3.974 0.000 . 2 . . . . . 110 Gly HA3 . 27683 1 1157 . 1 1 110 110 GLY C C 13 172.995 0.000 . 1 . . . . . 110 Gly C . 27683 1 1158 . 1 1 110 110 GLY CA C 13 45.440 0.000 . 1 . . . . . 110 Gly CA . 27683 1 1159 . 1 1 110 110 GLY N N 15 109.292 0.000 . 1 . . . . . 110 Gly N . 27683 1 1160 . 1 1 111 111 VAL H H 1 7.758 0.000 . 1 . . . . . 111 Val H . 27683 1 1161 . 1 1 111 111 VAL HA H 1 4.265 0.000 . 1 . . . . . 111 Val HA . 27683 1 1162 . 1 1 111 111 VAL HB H 1 1.808 0.000 . 1 . . . . . 111 Val HB . 27683 1 1163 . 1 1 111 111 VAL HG11 H 1 0.758 0.000 . 2 . . . . . 111 Val HG11 . 27683 1 1164 . 1 1 111 111 VAL HG12 H 1 0.758 0.000 . 2 . . . . . 111 Val HG12 . 27683 1 1165 . 1 1 111 111 VAL HG13 H 1 0.758 0.000 . 2 . . . . . 111 Val HG13 . 27683 1 1166 . 1 1 111 111 VAL HG21 H 1 0.795 0.000 . 2 . . . . . 111 Val HG21 . 27683 1 1167 . 1 1 111 111 VAL HG22 H 1 0.795 0.000 . 2 . . . . . 111 Val HG22 . 27683 1 1168 . 1 1 111 111 VAL HG23 H 1 0.795 0.000 . 2 . . . . . 111 Val HG23 . 27683 1 1169 . 1 1 111 111 VAL C C 13 174.478 0.000 . 1 . . . . . 111 Val C . 27683 1 1170 . 1 1 111 111 VAL CA C 13 60.769 0.000 . 1 . . . . . 111 Val CA . 27683 1 1171 . 1 1 111 111 VAL CB C 13 35.329 0.000 . 1 . . . . . 111 Val CB . 27683 1 1172 . 1 1 111 111 VAL CG1 C 13 20.822 0.000 . 2 . . . . . 111 Val CG1 . 27683 1 1173 . 1 1 111 111 VAL CG2 C 13 20.431 0.000 . 2 . . . . . 111 Val CG2 . 27683 1 1174 . 1 1 111 111 VAL N N 15 119.177 0.000 . 1 . . . . . 111 Val N . 27683 1 1175 . 1 1 112 112 VAL H H 1 8.736 0.000 . 1 . . . . . 112 Val H . 27683 1 1176 . 1 1 112 112 VAL HA H 1 3.219 0.000 . 1 . . . . . 112 Val HA . 27683 1 1177 . 1 1 112 112 VAL HB H 1 1.965 0.000 . 1 . . . . . 112 Val HB . 27683 1 1178 . 1 1 112 112 VAL HG11 H 1 0.849 0.000 . 2 . . . . . 112 Val HG11 . 27683 1 1179 . 1 1 112 112 VAL HG12 H 1 0.849 0.000 . 2 . . . . . 112 Val HG12 . 27683 1 1180 . 1 1 112 112 VAL HG13 H 1 0.849 0.000 . 2 . . . . . 112 Val HG13 . 27683 1 1181 . 1 1 112 112 VAL HG21 H 1 1.123 0.000 . 2 . . . . . 112 Val HG21 . 27683 1 1182 . 1 1 112 112 VAL HG22 H 1 1.123 0.000 . 2 . . . . . 112 Val HG22 . 27683 1 1183 . 1 1 112 112 VAL HG23 H 1 1.123 0.000 . 2 . . . . . 112 Val HG23 . 27683 1 1184 . 1 1 112 112 VAL C C 13 174.595 0.000 . 1 . . . . . 112 Val C . 27683 1 1185 . 1 1 112 112 VAL CA C 13 64.594 0.000 . 1 . . . . . 112 Val CA . 27683 1 1186 . 1 1 112 112 VAL CB C 13 32.480 0.000 . 1 . . . . . 112 Val CB . 27683 1 1187 . 1 1 112 112 VAL CG1 C 13 22.147 0.000 . 2 . . . . . 112 Val CG1 . 27683 1 1188 . 1 1 112 112 VAL CG2 C 13 22.172 0.000 . 2 . . . . . 112 Val CG2 . 27683 1 1189 . 1 1 112 112 VAL N N 15 125.253 0.000 . 1 . . . . . 112 Val N . 27683 1 1190 . 1 1 113 113 ASN HA H 1 4.480 0.000 . 1 . . . . . 113 Asn HA . 27683 1 1191 . 1 1 113 113 ASN HB2 H 1 1.861 0.000 . 2 . . . . . 113 Asn HB2 . 27683 1 1192 . 1 1 113 113 ASN HB3 H 1 1.785 0.000 . 2 . . . . . 113 Asn HB3 . 27683 1 1193 . 1 1 113 113 ASN C C 13 173.329 0.000 . 1 . . . . . 113 Asn C . 27683 1 1194 . 1 1 113 113 ASN CA C 13 50.028 0.000 . 1 . . . . . 113 Asn CA . 27683 1 1195 . 1 1 113 113 ASN CB C 13 37.151 0.000 . 1 . . . . . 113 Asn CB . 27683 1 1196 . 1 1 114 114 GLN H H 1 8.464 0.000 . 1 . . . . . 114 Gln H . 27683 1 1197 . 1 1 114 114 GLN HA H 1 3.939 0.000 . 1 . . . . . 114 Gln HA . 27683 1 1198 . 1 1 114 114 GLN HB2 H 1 2.164 0.000 . 2 . . . . . 114 Gln HB2 . 27683 1 1199 . 1 1 114 114 GLN HB3 H 1 2.056 0.000 . 2 . . . . . 114 Gln HB3 . 27683 1 1200 . 1 1 114 114 GLN HG2 H 1 2.419 0.000 . 2 . . . . . 114 Gln HG2 . 27683 1 1201 . 1 1 114 114 GLN HG3 H 1 2.329 0.000 . 2 . . . . . 114 Gln HG3 . 27683 1 1202 . 1 1 114 114 GLN C C 13 174.828 0.000 . 1 . . . . . 114 Gln C . 27683 1 1203 . 1 1 114 114 GLN CA C 13 59.210 0.000 . 1 . . . . . 114 Gln CA . 27683 1 1204 . 1 1 114 114 GLN CB C 13 26.310 0.000 . 1 . . . . . 114 Gln CB . 27683 1 1205 . 1 1 114 114 GLN CG C 13 33.549 0.000 . 1 . . . . . 114 Gln CG . 27683 1 1206 . 1 1 114 114 GLN N N 15 124.273 0.000 . 1 . . . . . 114 Gln N . 27683 1 1207 . 1 1 115 115 PRO HA H 1 4.244 0.000 . 1 . . . . . 115 Pro HA . 27683 1 1208 . 1 1 115 115 PRO HB2 H 1 2.327 0.000 . 2 . . . . . 115 Pro HB2 . 27683 1 1209 . 1 1 115 115 PRO HB3 H 1 1.810 0.000 . 2 . . . . . 115 Pro HB3 . 27683 1 1210 . 1 1 115 115 PRO HG2 H 1 2.654 0.000 . 2 . . . . . 115 Pro HG2 . 27683 1 1211 . 1 1 115 115 PRO HG3 H 1 1.854 0.000 . 2 . . . . . 115 Pro HG3 . 27683 1 1212 . 1 1 115 115 PRO HD2 H 1 3.976 0.000 . 2 . . . . . 115 Pro HD2 . 27683 1 1213 . 1 1 115 115 PRO HD3 H 1 3.691 0.000 . 2 . . . . . 115 Pro HD3 . 27683 1 1214 . 1 1 115 115 PRO C C 13 179.188 0.000 . 1 . . . . . 115 Pro C . 27683 1 1215 . 1 1 115 115 PRO CA C 13 66.679 0.000 . 1 . . . . . 115 Pro CA . 27683 1 1216 . 1 1 115 115 PRO CB C 13 31.134 0.000 . 1 . . . . . 115 Pro CB . 27683 1 1217 . 1 1 115 115 PRO CG C 13 28.363 0.000 . 1 . . . . . 115 Pro CG . 27683 1 1218 . 1 1 115 115 PRO CD C 13 50.600 0.000 . 1 . . . . . 115 Pro CD . 27683 1 1219 . 1 1 116 116 PHE H H 1 7.342 0.000 . 1 . . . . . 116 Phe H . 27683 1 1220 . 1 1 116 116 PHE HA H 1 4.217 0.000 . 1 . . . . . 116 Phe HA . 27683 1 1221 . 1 1 116 116 PHE HB2 H 1 3.014 0.000 . 2 . . . . . 116 Phe HB2 . 27683 1 1222 . 1 1 116 116 PHE HB3 H 1 2.862 0.000 . 2 . . . . . 116 Phe HB3 . 27683 1 1223 . 1 1 116 116 PHE HD1 H 1 7.129 0.000 . 1 . . . . . 116 Phe HD1 . 27683 1 1224 . 1 1 116 116 PHE HD2 H 1 7.129 0.000 . 1 . . . . . 116 Phe HD2 . 27683 1 1225 . 1 1 116 116 PHE C C 13 176.543 0.000 . 1 . . . . . 116 Phe C . 27683 1 1226 . 1 1 116 116 PHE CA C 13 61.212 0.000 . 1 . . . . . 116 Phe CA . 27683 1 1227 . 1 1 116 116 PHE CB C 13 39.170 0.000 . 1 . . . . . 116 Phe CB . 27683 1 1228 . 1 1 116 116 PHE N N 15 117.874 0.000 . 1 . . . . . 116 Phe N . 27683 1 1229 . 1 1 117 117 ILE H H 1 7.705 0.000 . 1 . . . . . 117 Ile H . 27683 1 1230 . 1 1 117 117 ILE HA H 1 3.449 0.000 . 1 . . . . . 117 Ile HA . 27683 1 1231 . 1 1 117 117 ILE HB H 1 2.093 0.000 . 1 . . . . . 117 Ile HB . 27683 1 1232 . 1 1 117 117 ILE HG12 H 1 2.322 0.000 . 2 . . . . . 117 Ile HG12 . 27683 1 1233 . 1 1 117 117 ILE HG13 H 1 1.285 0.000 . 2 . . . . . 117 Ile HG13 . 27683 1 1234 . 1 1 117 117 ILE HG21 H 1 1.082 0.000 . 1 . . . . . 117 Ile HG21 . 27683 1 1235 . 1 1 117 117 ILE HG22 H 1 1.082 0.000 . 1 . . . . . 117 Ile HG22 . 27683 1 1236 . 1 1 117 117 ILE HG23 H 1 1.082 0.000 . 1 . . . . . 117 Ile HG23 . 27683 1 1237 . 1 1 117 117 ILE HD11 H 1 1.055 0.000 . 1 . . . . . 117 Ile HD11 . 27683 1 1238 . 1 1 117 117 ILE HD12 H 1 1.055 0.000 . 1 . . . . . 117 Ile HD12 . 27683 1 1239 . 1 1 117 117 ILE HD13 H 1 1.055 0.000 . 1 . . . . . 117 Ile HD13 . 27683 1 1240 . 1 1 117 117 ILE C C 13 178.493 0.000 . 1 . . . . . 117 Ile C . 27683 1 1241 . 1 1 117 117 ILE CA C 13 66.318 0.000 . 1 . . . . . 117 Ile CA . 27683 1 1242 . 1 1 117 117 ILE CB C 13 37.855 0.000 . 1 . . . . . 117 Ile CB . 27683 1 1243 . 1 1 117 117 ILE CG1 C 13 29.970 0.000 . 1 . . . . . 117 Ile CG1 . 27683 1 1244 . 1 1 117 117 ILE CG2 C 13 17.192 0.000 . 1 . . . . . 117 Ile CG2 . 27683 1 1245 . 1 1 117 117 ILE CD1 C 13 14.598 0.000 . 1 . . . . . 117 Ile CD1 . 27683 1 1246 . 1 1 117 117 ILE N N 15 119.574 0.000 . 1 . . . . . 117 Ile N . 27683 1 1247 . 1 1 118 118 ASN H H 1 8.981 0.000 . 1 . . . . . 118 Asn H . 27683 1 1248 . 1 1 118 118 ASN HA H 1 4.315 0.000 . 1 . . . . . 118 Asn HA . 27683 1 1249 . 1 1 118 118 ASN HB2 H 1 2.906 0.000 . 2 . . . . . 118 Asn HB2 . 27683 1 1250 . 1 1 118 118 ASN HB3 H 1 2.847 0.000 . 2 . . . . . 118 Asn HB3 . 27683 1 1251 . 1 1 118 118 ASN C C 13 176.989 0.000 . 1 . . . . . 118 Asn C . 27683 1 1252 . 1 1 118 118 ASN CA C 13 55.640 0.000 . 1 . . . . . 118 Asn CA . 27683 1 1253 . 1 1 118 118 ASN CB C 13 37.398 0.000 . 1 . . . . . 118 Asn CB . 27683 1 1254 . 1 1 118 118 ASN N N 15 119.852 0.000 . 1 . . . . . 118 Asn N . 27683 1 1255 . 1 1 119 119 GLU H H 1 8.093 0.000 . 1 . . . . . 119 Glu H . 27683 1 1256 . 1 1 119 119 GLU HA H 1 4.032 0.000 . 1 . . . . . 119 Glu HA . 27683 1 1257 . 1 1 119 119 GLU HB2 H 1 2.086 0.000 . 2 . . . . . 119 Glu HB2 . 27683 1 1258 . 1 1 119 119 GLU HB3 H 1 1.981 0.000 . 2 . . . . . 119 Glu HB3 . 27683 1 1259 . 1 1 119 119 GLU HG2 H 1 2.093 0.000 . 2 . . . . . 119 Glu HG2 . 27683 1 1260 . 1 1 119 119 GLU HG3 H 1 2.246 0.000 . 2 . . . . . 119 Glu HG3 . 27683 1 1261 . 1 1 119 119 GLU C C 13 178.551 0.000 . 1 . . . . . 119 Glu C . 27683 1 1262 . 1 1 119 119 GLU CA C 13 59.545 0.000 . 1 . . . . . 119 Glu CA . 27683 1 1263 . 1 1 119 119 GLU CB C 13 29.437 0.000 . 1 . . . . . 119 Glu CB . 27683 1 1264 . 1 1 119 119 GLU CG C 13 35.886 0.000 . 1 . . . . . 119 Glu CG . 27683 1 1265 . 1 1 119 119 GLU N N 15 121.427 0.000 . 1 . . . . . 119 Glu N . 27683 1 1266 . 1 1 120 120 ILE H H 1 8.172 0.000 . 1 . . . . . 120 Ile H . 27683 1 1267 . 1 1 120 120 ILE HA H 1 3.695 0.000 . 1 . . . . . 120 Ile HA . 27683 1 1268 . 1 1 120 120 ILE HB H 1 1.940 0.000 . 1 . . . . . 120 Ile HB . 27683 1 1269 . 1 1 120 120 ILE HG12 H 1 0.832 0.000 . 2 . . . . . 120 Ile HG12 . 27683 1 1270 . 1 1 120 120 ILE HG13 H 1 1.212 0.000 . 2 . . . . . 120 Ile HG13 . 27683 1 1271 . 1 1 120 120 ILE HG21 H 1 0.653 0.000 . 1 . . . . . 120 Ile HG21 . 27683 1 1272 . 1 1 120 120 ILE HG22 H 1 0.653 0.000 . 1 . . . . . 120 Ile HG22 . 27683 1 1273 . 1 1 120 120 ILE HG23 H 1 0.653 0.000 . 1 . . . . . 120 Ile HG23 . 27683 1 1274 . 1 1 120 120 ILE HD11 H 1 0.676 0.000 . 1 . . . . . 120 Ile HD11 . 27683 1 1275 . 1 1 120 120 ILE HD12 H 1 0.676 0.000 . 1 . . . . . 120 Ile HD12 . 27683 1 1276 . 1 1 120 120 ILE HD13 H 1 0.676 0.000 . 1 . . . . . 120 Ile HD13 . 27683 1 1277 . 1 1 120 120 ILE C C 13 178.394 0.000 . 1 . . . . . 120 Ile C . 27683 1 1278 . 1 1 120 120 ILE CA C 13 62.492 0.000 . 1 . . . . . 120 Ile CA . 27683 1 1279 . 1 1 120 120 ILE CB C 13 35.096 0.000 . 1 . . . . . 120 Ile CB . 27683 1 1280 . 1 1 120 120 ILE CG1 C 13 27.744 0.000 . 1 . . . . . 120 Ile CG1 . 27683 1 1281 . 1 1 120 120 ILE CG2 C 13 18.248 0.000 . 1 . . . . . 120 Ile CG2 . 27683 1 1282 . 1 1 120 120 ILE CD1 C 13 9.019 0.000 . 1 . . . . . 120 Ile CD1 . 27683 1 1283 . 1 1 120 120 ILE N N 15 117.023 0.000 . 1 . . . . . 120 Ile N . 27683 1 1284 . 1 1 121 121 THR H H 1 8.759 0.000 . 1 . . . . . 121 Thr H . 27683 1 1285 . 1 1 121 121 THR HA H 1 3.727 0.000 . 1 . . . . . 121 Thr HA . 27683 1 1286 . 1 1 121 121 THR HB H 1 4.237 0.000 . 1 . . . . . 121 Thr HB . 27683 1 1287 . 1 1 121 121 THR HG21 H 1 1.274 0.000 . 1 . . . . . 121 Thr HG21 . 27683 1 1288 . 1 1 121 121 THR HG22 H 1 1.274 0.000 . 1 . . . . . 121 Thr HG22 . 27683 1 1289 . 1 1 121 121 THR HG23 H 1 1.274 0.000 . 1 . . . . . 121 Thr HG23 . 27683 1 1290 . 1 1 121 121 THR C C 13 177.386 0.000 . 1 . . . . . 121 Thr C . 27683 1 1291 . 1 1 121 121 THR CA C 13 67.186 0.000 . 1 . . . . . 121 Thr CA . 27683 1 1292 . 1 1 121 121 THR CB C 13 68.265 0.000 . 1 . . . . . 121 Thr CB . 27683 1 1293 . 1 1 121 121 THR CG2 C 13 21.925 0.000 . 1 . . . . . 121 Thr CG2 . 27683 1 1294 . 1 1 121 121 THR N N 15 111.857 0.000 . 1 . . . . . 121 Thr N . 27683 1 1295 . 1 1 122 122 GLN H H 1 8.118 0.000 . 1 . . . . . 122 Gln H . 27683 1 1296 . 1 1 122 122 GLN HA H 1 4.095 0.000 . 1 . . . . . 122 Gln HA . 27683 1 1297 . 1 1 122 122 GLN HB2 H 1 2.223 0.000 . 2 . . . . . 122 Gln HB2 . 27683 1 1298 . 1 1 122 122 GLN HB3 H 1 2.128 0.000 . 2 . . . . . 122 Gln HB3 . 27683 1 1299 . 1 1 122 122 GLN HG2 H 1 2.473 0.000 . 2 . . . . . 122 Gln HG2 . 27683 1 1300 . 1 1 122 122 GLN HG3 H 1 2.373 0.000 . 2 . . . . . 122 Gln HG3 . 27683 1 1301 . 1 1 122 122 GLN C C 13 178.989 0.000 . 1 . . . . . 122 Gln C . 27683 1 1302 . 1 1 122 122 GLN CA C 13 59.291 0.000 . 1 . . . . . 122 Gln CA . 27683 1 1303 . 1 1 122 122 GLN CB C 13 28.010 0.000 . 1 . . . . . 122 Gln CB . 27683 1 1304 . 1 1 122 122 GLN CG C 13 33.945 0.000 . 1 . . . . . 122 Gln CG . 27683 1 1305 . 1 1 122 122 GLN N N 15 123.197 0.000 . 1 . . . . . 122 Gln N . 27683 1 1306 . 1 1 123 123 LEU H H 1 8.160 0.000 . 1 . . . . . 123 Leu H . 27683 1 1307 . 1 1 123 123 LEU HA H 1 3.911 0.000 . 1 . . . . . 123 Leu HA . 27683 1 1308 . 1 1 123 123 LEU HB2 H 1 2.034 0.000 . 2 . . . . . 123 Leu HB2 . 27683 1 1309 . 1 1 123 123 LEU HB3 H 1 1.189 0.000 . 2 . . . . . 123 Leu HB3 . 27683 1 1310 . 1 1 123 123 LEU HG H 1 1.949 0.000 . 1 . . . . . 123 Leu HG . 27683 1 1311 . 1 1 123 123 LEU HD11 H 1 0.797 0.000 . 2 . . . . . 123 Leu HD11 . 27683 1 1312 . 1 1 123 123 LEU HD12 H 1 0.797 0.000 . 2 . . . . . 123 Leu HD12 . 27683 1 1313 . 1 1 123 123 LEU HD13 H 1 0.797 0.000 . 2 . . . . . 123 Leu HD13 . 27683 1 1314 . 1 1 123 123 LEU HD21 H 1 0.884 0.000 . 2 . . . . . 123 Leu HD21 . 27683 1 1315 . 1 1 123 123 LEU HD22 H 1 0.884 0.000 . 2 . . . . . 123 Leu HD22 . 27683 1 1316 . 1 1 123 123 LEU HD23 H 1 0.884 0.000 . 2 . . . . . 123 Leu HD23 . 27683 1 1317 . 1 1 123 123 LEU C C 13 178.632 0.000 . 1 . . . . . 123 Leu C . 27683 1 1318 . 1 1 123 123 LEU CA C 13 57.873 0.000 . 1 . . . . . 123 Leu CA . 27683 1 1319 . 1 1 123 123 LEU CB C 13 42.866 0.000 . 1 . . . . . 123 Leu CB . 27683 1 1320 . 1 1 123 123 LEU CG C 13 26.816 0.000 . 1 . . . . . 123 Leu CG . 27683 1 1321 . 1 1 123 123 LEU CD1 C 13 22.622 0.000 . 2 . . . . . 123 Leu CD1 . 27683 1 1322 . 1 1 123 123 LEU CD2 C 13 26.195 0.000 . 2 . . . . . 123 Leu CD2 . 27683 1 1323 . 1 1 123 123 LEU N N 15 120.969 0.000 . 1 . . . . . 123 Leu N . 27683 1 1324 . 1 1 124 124 VAL H H 1 8.827 0.000 . 1 . . . . . 124 Val H . 27683 1 1325 . 1 1 124 124 VAL HA H 1 3.598 0.000 . 1 . . . . . 124 Val HA . 27683 1 1326 . 1 1 124 124 VAL HB H 1 2.233 0.000 . 1 . . . . . 124 Val HB . 27683 1 1327 . 1 1 124 124 VAL HG11 H 1 0.769 0.000 . 2 . . . . . 124 Val HG11 . 27683 1 1328 . 1 1 124 124 VAL HG12 H 1 0.769 0.000 . 2 . . . . . 124 Val HG12 . 27683 1 1329 . 1 1 124 124 VAL HG13 H 1 0.769 0.000 . 2 . . . . . 124 Val HG13 . 27683 1 1330 . 1 1 124 124 VAL HG21 H 1 1.175 0.000 . 2 . . . . . 124 Val HG21 . 27683 1 1331 . 1 1 124 124 VAL HG22 H 1 1.175 0.000 . 2 . . . . . 124 Val HG22 . 27683 1 1332 . 1 1 124 124 VAL HG23 H 1 1.175 0.000 . 2 . . . . . 124 Val HG23 . 27683 1 1333 . 1 1 124 124 VAL C C 13 177.399 0.000 . 1 . . . . . 124 Val C . 27683 1 1334 . 1 1 124 124 VAL CA C 13 67.363 0.000 . 1 . . . . . 124 Val CA . 27683 1 1335 . 1 1 124 124 VAL CB C 13 31.460 0.000 . 1 . . . . . 124 Val CB . 27683 1 1336 . 1 1 124 124 VAL CG1 C 13 21.045 0.000 . 2 . . . . . 124 Val CG1 . 27683 1 1337 . 1 1 124 124 VAL CG2 C 13 24.458 0.000 . 2 . . . . . 124 Val CG2 . 27683 1 1338 . 1 1 124 124 VAL N N 15 119.335 0.000 . 1 . . . . . 124 Val N . 27683 1 1339 . 1 1 125 125 SER H H 1 7.780 0.000 . 1 . . . . . 125 Ser H . 27683 1 1340 . 1 1 125 125 SER HA H 1 4.081 0.000 . 1 . . . . . 125 Ser HA . 27683 1 1341 . 1 1 125 125 SER HB2 H 1 3.945 0.000 . 2 . . . . . 125 Ser HB2 . 27683 1 1342 . 1 1 125 125 SER HB3 H 1 3.942 0.000 . 2 . . . . . 125 Ser HB3 . 27683 1 1343 . 1 1 125 125 SER C C 13 176.087 0.000 . 1 . . . . . 125 Ser C . 27683 1 1344 . 1 1 125 125 SER CA C 13 62.188 0.000 . 1 . . . . . 125 Ser CA . 27683 1 1345 . 1 1 125 125 SER CB C 13 62.916 0.000 . 1 . . . . . 125 Ser CB . 27683 1 1346 . 1 1 125 125 SER N N 15 112.742 0.000 . 1 . . . . . 125 Ser N . 27683 1 1347 . 1 1 126 126 MET H H 1 7.935 0.000 . 1 . . . . . 126 Met H . 27683 1 1348 . 1 1 126 126 MET HA H 1 4.070 0.000 . 1 . . . . . 126 Met HA . 27683 1 1349 . 1 1 126 126 MET HB2 H 1 2.021 0.000 . 1 . . . . . 126 Met HB2 . 27683 1 1350 . 1 1 126 126 MET HB3 H 1 2.021 0.000 . 1 . . . . . 126 Met HB3 . 27683 1 1351 . 1 1 126 126 MET HG2 H 1 2.548 0.000 . 2 . . . . . 126 Met HG2 . 27683 1 1352 . 1 1 126 126 MET HG3 H 1 2.543 0.000 . 2 . . . . . 126 Met HG3 . 27683 1 1353 . 1 1 126 126 MET HE1 H 1 1.637 0.000 . 1 . . . . . 126 Met HE1 . 27683 1 1354 . 1 1 126 126 MET HE2 H 1 1.637 0.000 . 1 . . . . . 126 Met HE2 . 27683 1 1355 . 1 1 126 126 MET HE3 H 1 1.637 0.000 . 1 . . . . . 126 Met HE3 . 27683 1 1356 . 1 1 126 126 MET C C 13 179.458 0.000 . 1 . . . . . 126 Met C . 27683 1 1357 . 1 1 126 126 MET CA C 13 58.831 0.000 . 1 . . . . . 126 Met CA . 27683 1 1358 . 1 1 126 126 MET CB C 13 32.728 0.000 . 1 . . . . . 126 Met CB . 27683 1 1359 . 1 1 126 126 MET CG C 13 31.510 0.000 . 1 . . . . . 126 Met CG . 27683 1 1360 . 1 1 126 126 MET CE C 13 16.621 0.000 . 1 . . . . . 126 Met CE . 27683 1 1361 . 1 1 126 126 MET N N 15 120.926 0.000 . 1 . . . . . 126 Met N . 27683 1 1362 . 1 1 127 127 PHE H H 1 8.780 0.000 . 1 . . . . . 127 Phe H . 27683 1 1363 . 1 1 127 127 PHE HA H 1 4.473 0.000 . 1 . . . . . 127 Phe HA . 27683 1 1364 . 1 1 127 127 PHE HB2 H 1 3.265 0.000 . 2 . . . . . 127 Phe HB2 . 27683 1 1365 . 1 1 127 127 PHE HB3 H 1 2.899 0.000 . 2 . . . . . 127 Phe HB3 . 27683 1 1366 . 1 1 127 127 PHE C C 13 178.824 0.000 . 1 . . . . . 127 Phe C . 27683 1 1367 . 1 1 127 127 PHE CA C 13 60.333 0.000 . 1 . . . . . 127 Phe CA . 27683 1 1368 . 1 1 127 127 PHE CB C 13 38.729 0.000 . 1 . . . . . 127 Phe CB . 27683 1 1369 . 1 1 127 127 PHE N N 15 118.970 0.000 . 1 . . . . . 127 Phe N . 27683 1 1370 . 1 1 128 128 ALA H H 1 8.652 0.000 . 1 . . . . . 128 Ala H . 27683 1 1371 . 1 1 128 128 ALA HA H 1 4.254 0.000 . 1 . . . . . 128 Ala HA . 27683 1 1372 . 1 1 128 128 ALA HB1 H 1 1.526 0.000 . 1 . . . . . 128 Ala HB1 . 27683 1 1373 . 1 1 128 128 ALA HB2 H 1 1.526 0.000 . 1 . . . . . 128 Ala HB2 . 27683 1 1374 . 1 1 128 128 ALA HB3 H 1 1.526 0.000 . 1 . . . . . 128 Ala HB3 . 27683 1 1375 . 1 1 128 128 ALA C C 13 178.837 0.000 . 1 . . . . . 128 Ala C . 27683 1 1376 . 1 1 128 128 ALA CA C 13 54.249 0.000 . 1 . . . . . 128 Ala CA . 27683 1 1377 . 1 1 128 128 ALA CB C 13 19.306 0.000 . 1 . . . . . 128 Ala CB . 27683 1 1378 . 1 1 128 128 ALA N N 15 121.360 0.000 . 1 . . . . . 128 Ala N . 27683 1 1379 . 1 1 129 129 GLN H H 1 7.764 0.000 . 1 . . . . . 129 Gln H . 27683 1 1380 . 1 1 129 129 GLN HA H 1 4.239 0.000 . 1 . . . . . 129 Gln HA . 27683 1 1381 . 1 1 129 129 GLN HB2 H 1 2.205 0.000 . 2 . . . . . 129 Gln HB2 . 27683 1 1382 . 1 1 129 129 GLN HB3 H 1 2.121 0.000 . 2 . . . . . 129 Gln HB3 . 27683 1 1383 . 1 1 129 129 GLN HG2 H 1 2.516 0.000 . 2 . . . . . 129 Gln HG2 . 27683 1 1384 . 1 1 129 129 GLN HG3 H 1 2.383 0.000 . 2 . . . . . 129 Gln HG3 . 27683 1 1385 . 1 1 129 129 GLN C C 13 176.818 0.000 . 1 . . . . . 129 Gln C . 27683 1 1386 . 1 1 129 129 GLN CA C 13 56.992 0.000 . 1 . . . . . 129 Gln CA . 27683 1 1387 . 1 1 129 129 GLN CB C 13 29.149 0.000 . 1 . . . . . 129 Gln CB . 27683 1 1388 . 1 1 129 129 GLN CG C 13 34.345 0.000 . 1 . . . . . 129 Gln CG . 27683 1 1389 . 1 1 129 129 GLN N N 15 115.871 0.000 . 1 . . . . . 129 Gln N . 27683 1 1390 . 1 1 130 130 ALA H H 1 7.826 0.000 . 1 . . . . . 130 Ala H . 27683 1 1391 . 1 1 130 130 ALA HA H 1 4.275 0.000 . 1 . . . . . 130 Ala HA . 27683 1 1392 . 1 1 130 130 ALA HB1 H 1 1.506 0.000 . 1 . . . . . 130 Ala HB1 . 27683 1 1393 . 1 1 130 130 ALA HB2 H 1 1.506 0.000 . 1 . . . . . 130 Ala HB2 . 27683 1 1394 . 1 1 130 130 ALA HB3 H 1 1.506 0.000 . 1 . . . . . 130 Ala HB3 . 27683 1 1395 . 1 1 130 130 ALA C C 13 178.745 0.000 . 1 . . . . . 130 Ala C . 27683 1 1396 . 1 1 130 130 ALA CA C 13 53.801 0.000 . 1 . . . . . 130 Ala CA . 27683 1 1397 . 1 1 130 130 ALA CB C 13 18.835 0.000 . 1 . . . . . 130 Ala CB . 27683 1 1398 . 1 1 130 130 ALA N N 15 122.518 0.000 . 1 . . . . . 130 Ala N . 27683 1 1399 . 1 1 131 131 GLY H H 1 8.191 0.000 . 1 . . . . . 131 Gly H . 27683 1 1400 . 1 1 131 131 GLY HA2 H 1 4.039 0.000 . 2 . . . . . 131 Gly HA2 . 27683 1 1401 . 1 1 131 131 GLY HA3 H 1 3.937 0.000 . 2 . . . . . 131 Gly HA3 . 27683 1 1402 . 1 1 131 131 GLY C C 13 174.617 0.000 . 1 . . . . . 131 Gly C . 27683 1 1403 . 1 1 131 131 GLY CA C 13 45.564 0.000 . 1 . . . . . 131 Gly CA . 27683 1 1404 . 1 1 131 131 GLY N N 15 106.617 0.000 . 1 . . . . . 131 Gly N . 27683 1 1405 . 1 1 132 132 MET H H 1 7.943 0.000 . 1 . . . . . 132 Met H . 27683 1 1406 . 1 1 132 132 MET HA H 1 4.473 0.000 . 1 . . . . . 132 Met HA . 27683 1 1407 . 1 1 132 132 MET HB2 H 1 2.140 0.000 . 2 . . . . . 132 Met HB2 . 27683 1 1408 . 1 1 132 132 MET HB3 H 1 2.038 0.000 . 2 . . . . . 132 Met HB3 . 27683 1 1409 . 1 1 132 132 MET HG2 H 1 2.636 0.000 . 2 . . . . . 132 Met HG2 . 27683 1 1410 . 1 1 132 132 MET HG3 H 1 2.544 0.000 . 2 . . . . . 132 Met HG3 . 27683 1 1411 . 1 1 132 132 MET HE1 H 1 2.094 0.000 . 1 . . . . . 132 Met HE1 . 27683 1 1412 . 1 1 132 132 MET HE2 H 1 2.094 0.000 . 1 . . . . . 132 Met HE2 . 27683 1 1413 . 1 1 132 132 MET HE3 H 1 2.094 0.000 . 1 . . . . . 132 Met HE3 . 27683 1 1414 . 1 1 132 132 MET C C 13 176.130 0.000 . 1 . . . . . 132 Met C . 27683 1 1415 . 1 1 132 132 MET CA C 13 55.838 0.000 . 1 . . . . . 132 Met CA . 27683 1 1416 . 1 1 132 132 MET CB C 13 32.982 0.000 . 1 . . . . . 132 Met CB . 27683 1 1417 . 1 1 132 132 MET CG C 13 32.098 0.000 . 1 . . . . . 132 Met CG . 27683 1 1418 . 1 1 132 132 MET CE C 13 17.051 0.000 . 1 . . . . . 132 Met CE . 27683 1 1419 . 1 1 132 132 MET N N 15 119.155 0.000 . 1 . . . . . 132 Met N . 27683 1 1420 . 1 1 133 133 ASN H H 1 8.337 0.000 . 1 . . . . . 133 Asn H . 27683 1 1421 . 1 1 133 133 ASN HA H 1 4.730 0.000 . 1 . . . . . 133 Asn HA . 27683 1 1422 . 1 1 133 133 ASN HB2 H 1 2.835 0.000 . 2 . . . . . 133 Asn HB2 . 27683 1 1423 . 1 1 133 133 ASN HB3 H 1 2.734 0.000 . 2 . . . . . 133 Asn HB3 . 27683 1 1424 . 1 1 133 133 ASN C C 13 174.742 0.000 . 1 . . . . . 133 Asn C . 27683 1 1425 . 1 1 133 133 ASN CA C 13 53.387 0.000 . 1 . . . . . 133 Asn CA . 27683 1 1426 . 1 1 133 133 ASN CB C 13 39.242 0.000 . 1 . . . . . 133 Asn CB . 27683 1 1427 . 1 1 133 133 ASN N N 15 118.988 0.000 . 1 . . . . . 133 Asn N . 27683 1 1428 . 1 1 134 134 ASP H H 1 8.293 0.000 . 1 . . . . . 134 Asp H . 27683 1 1429 . 1 1 134 134 ASP HA H 1 4.642 0.000 . 1 . . . . . 134 Asp HA . 27683 1 1430 . 1 1 134 134 ASP HB2 H 1 2.721 0.000 . 2 . . . . . 134 Asp HB2 . 27683 1 1431 . 1 1 134 134 ASP HB3 H 1 2.620 0.000 . 2 . . . . . 134 Asp HB3 . 27683 1 1432 . 1 1 134 134 ASP C C 13 176.192 0.000 . 1 . . . . . 134 Asp C . 27683 1 1433 . 1 1 134 134 ASP CA C 13 54.400 0.000 . 1 . . . . . 134 Asp CA . 27683 1 1434 . 1 1 134 134 ASP CB C 13 41.181 0.000 . 1 . . . . . 134 Asp CB . 27683 1 1435 . 1 1 134 134 ASP N N 15 120.934 0.000 . 1 . . . . . 134 Asp N . 27683 1 1436 . 1 1 135 135 VAL H H 1 8.073 0.000 . 1 . . . . . 135 Val H . 27683 1 1437 . 1 1 135 135 VAL HA H 1 4.193 0.000 . 1 . . . . . 135 Val HA . 27683 1 1438 . 1 1 135 135 VAL HB H 1 2.150 0.000 . 1 . . . . . 135 Val HB . 27683 1 1439 . 1 1 135 135 VAL HG11 H 1 0.935 0.000 . 2 . . . . . 135 Val HG11 . 27683 1 1440 . 1 1 135 135 VAL HG12 H 1 0.935 0.000 . 2 . . . . . 135 Val HG12 . 27683 1 1441 . 1 1 135 135 VAL HG13 H 1 0.935 0.000 . 2 . . . . . 135 Val HG13 . 27683 1 1442 . 1 1 135 135 VAL HG21 H 1 0.939 0.000 . 2 . . . . . 135 Val HG21 . 27683 1 1443 . 1 1 135 135 VAL HG22 H 1 0.939 0.000 . 2 . . . . . 135 Val HG22 . 27683 1 1444 . 1 1 135 135 VAL HG23 H 1 0.939 0.000 . 2 . . . . . 135 Val HG23 . 27683 1 1445 . 1 1 135 135 VAL C C 13 176.197 0.000 . 1 . . . . . 135 Val C . 27683 1 1446 . 1 1 135 135 VAL CA C 13 62.180 0.000 . 1 . . . . . 135 Val CA . 27683 1 1447 . 1 1 135 135 VAL CB C 13 32.701 0.000 . 1 . . . . . 135 Val CB . 27683 1 1448 . 1 1 135 135 VAL CG1 C 13 20.203 0.000 . 2 . . . . . 135 Val CG1 . 27683 1 1449 . 1 1 135 135 VAL CG2 C 13 21.221 0.000 . 2 . . . . . 135 Val CG2 . 27683 1 1450 . 1 1 135 135 VAL N N 15 119.885 0.000 . 1 . . . . . 135 Val N . 27683 1 1451 . 1 1 136 136 SER H H 1 8.394 0.000 . 1 . . . . . 136 Ser H . 27683 1 1452 . 1 1 136 136 SER HA H 1 4.456 0.000 . 1 . . . . . 136 Ser HA . 27683 1 1453 . 1 1 136 136 SER HB2 H 1 3.865 0.000 . 2 . . . . . 136 Ser HB2 . 27683 1 1454 . 1 1 136 136 SER HB3 H 1 3.861 0.000 . 2 . . . . . 136 Ser HB3 . 27683 1 1455 . 1 1 136 136 SER C C 13 173.293 0.000 . 1 . . . . . 136 Ser C . 27683 1 1456 . 1 1 136 136 SER CA C 13 58.336 0.000 . 1 . . . . . 136 Ser CA . 27683 1 1457 . 1 1 136 136 SER CB C 13 64.029 0.000 . 1 . . . . . 136 Ser CB . 27683 1 1458 . 1 1 136 136 SER N N 15 120.030 0.000 . 1 . . . . . 136 Ser N . 27683 1 1459 . 1 1 137 137 ALA H H 1 7.963 0.000 . 1 . . . . . 137 Ala H . 27683 1 1460 . 1 1 137 137 ALA HA H 1 4.139 0.000 . 1 . . . . . 137 Ala HA . 27683 1 1461 . 1 1 137 137 ALA HB1 H 1 1.340 0.000 . 1 . . . . . 137 Ala HB1 . 27683 1 1462 . 1 1 137 137 ALA HB2 H 1 1.340 0.000 . 1 . . . . . 137 Ala HB2 . 27683 1 1463 . 1 1 137 137 ALA HB3 H 1 1.340 0.000 . 1 . . . . . 137 Ala HB3 . 27683 1 1464 . 1 1 137 137 ALA CA C 13 53.943 0.000 . 1 . . . . . 137 Ala CA . 27683 1 1465 . 1 1 137 137 ALA CB C 13 20.217 0.000 . 1 . . . . . 137 Ala CB . 27683 1 1466 . 1 1 137 137 ALA N N 15 131.906 0.000 . 1 . . . . . 137 Ala N . 27683 1 stop_ save_