data_30798 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30798 _Entry.Title ; Solution Structure of the Dysferlin C2A Domain in its Calcium-free State ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-19 _Entry.Accession_date 2020-09-19 _Entry.Last_release_date 2020-10-19 _Entry.Original_release_date 2020-10-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Wang Y. . . . 30798 2 P. Mercier P. . . . 30798 3 L. Santamaria L. . . . 30798 4 G. Shaw G. S. . . 30798 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 30798 beta-sandwich . 30798 calcium-binding . 30798 'membrane repair' . 30798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 30798 '15N chemical shifts' 114 30798 '1H chemical shifts' 746 30798 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-01-29 . original BMRB . 30798 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7K6B 'BMRB Entry Tracking System' 30798 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30798 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33449082 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 478 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 197 _Citation.Page_last 215 _Citation.Year 2021 _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 Y. Wang Y. . . . 30798 1 2 R. Tadayon R. . . . 30798 1 3 L. Santamaria L. . . . 30798 1 4 P. Mercier P. . . . 30798 1 5 C. Forristal C. J. . . 30798 1 6 G. Shaw G. S. . . 30798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30798 _Assembly.ID 1 _Assembly.Name 'Isoform 15 of Dysferlin' _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 unit_1 1 $entity_1 A A yes . . . . . . 30798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30798 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGGGGGMLRVFILYAENVH TPDTDISDAYCSAVFAGVKK RTKVIKNSVNPVWNEGFEWD LKGIPLDQGSELHVVVKDHE TMGRNRFLGEAKVPLREVLA TPSLSASFNAPLLDTKKQPT GASLVLQVSYTPLPGAVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14822.910 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dystrophy-associated fer-1-like protein' common 30798 1 'Fer-1-like protein 1' common 30798 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 -6 GLY . 30798 1 2 -5 SER . 30798 1 3 -4 GLY . 30798 1 4 -3 GLY . 30798 1 5 -2 GLY . 30798 1 6 -1 GLY . 30798 1 7 0 GLY . 30798 1 8 1 MET . 30798 1 9 2 LEU . 30798 1 10 3 ARG . 30798 1 11 4 VAL . 30798 1 12 5 PHE . 30798 1 13 6 ILE . 30798 1 14 7 LEU . 30798 1 15 8 TYR . 30798 1 16 9 ALA . 30798 1 17 10 GLU . 30798 1 18 11 ASN . 30798 1 19 12 VAL . 30798 1 20 13 HIS . 30798 1 21 14 THR . 30798 1 22 15 PRO . 30798 1 23 16 ASP . 30798 1 24 17 THR . 30798 1 25 18 ASP . 30798 1 26 19 ILE . 30798 1 27 20 SER . 30798 1 28 21 ASP . 30798 1 29 22 ALA . 30798 1 30 23 TYR . 30798 1 31 24 CYS . 30798 1 32 25 SER . 30798 1 33 26 ALA . 30798 1 34 27 VAL . 30798 1 35 28 PHE . 30798 1 36 29 ALA . 30798 1 37 30 GLY . 30798 1 38 31 VAL . 30798 1 39 32 LYS . 30798 1 40 33 LYS . 30798 1 41 34 ARG . 30798 1 42 35 THR . 30798 1 43 36 LYS . 30798 1 44 37 VAL . 30798 1 45 38 ILE . 30798 1 46 39 LYS . 30798 1 47 40 ASN . 30798 1 48 41 SER . 30798 1 49 42 VAL . 30798 1 50 43 ASN . 30798 1 51 44 PRO . 30798 1 52 45 VAL . 30798 1 53 46 TRP . 30798 1 54 47 ASN . 30798 1 55 48 GLU . 30798 1 56 49 GLY . 30798 1 57 50 PHE . 30798 1 58 51 GLU . 30798 1 59 52 TRP . 30798 1 60 53 ASP . 30798 1 61 54 LEU . 30798 1 62 55 LYS . 30798 1 63 56 GLY . 30798 1 64 57 ILE . 30798 1 65 58 PRO . 30798 1 66 59 LEU . 30798 1 67 60 ASP . 30798 1 68 61 GLN . 30798 1 69 62 GLY . 30798 1 70 63 SER . 30798 1 71 64 GLU . 30798 1 72 65 LEU . 30798 1 73 66 HIS . 30798 1 74 67 VAL . 30798 1 75 68 VAL . 30798 1 76 69 VAL . 30798 1 77 70 LYS . 30798 1 78 71 ASP . 30798 1 79 72 HIS . 30798 1 80 73 GLU . 30798 1 81 74 THR . 30798 1 82 75 MET . 30798 1 83 76 GLY . 30798 1 84 77 ARG . 30798 1 85 78 ASN . 30798 1 86 79 ARG . 30798 1 87 80 PHE . 30798 1 88 81 LEU . 30798 1 89 82 GLY . 30798 1 90 83 GLU . 30798 1 91 84 ALA . 30798 1 92 85 LYS . 30798 1 93 86 VAL . 30798 1 94 87 PRO . 30798 1 95 88 LEU . 30798 1 96 89 ARG . 30798 1 97 90 GLU . 30798 1 98 91 VAL . 30798 1 99 92 LEU . 30798 1 100 93 ALA . 30798 1 101 94 THR . 30798 1 102 95 PRO . 30798 1 103 96 SER . 30798 1 104 97 LEU . 30798 1 105 98 SER . 30798 1 106 99 ALA . 30798 1 107 100 SER . 30798 1 108 101 PHE . 30798 1 109 102 ASN . 30798 1 110 103 ALA . 30798 1 111 104 PRO . 30798 1 112 105 LEU . 30798 1 113 106 LEU . 30798 1 114 107 ASP . 30798 1 115 108 THR . 30798 1 116 109 LYS . 30798 1 117 110 LYS . 30798 1 118 111 GLN . 30798 1 119 112 PRO . 30798 1 120 113 THR . 30798 1 121 114 GLY . 30798 1 122 115 ALA . 30798 1 123 116 SER . 30798 1 124 117 LEU . 30798 1 125 118 VAL . 30798 1 126 119 LEU . 30798 1 127 120 GLN . 30798 1 128 121 VAL . 30798 1 129 122 SER . 30798 1 130 123 TYR . 30798 1 131 124 THR . 30798 1 132 125 PRO . 30798 1 133 126 LEU . 30798 1 134 127 PRO . 30798 1 135 128 GLY . 30798 1 136 129 ALA . 30798 1 137 130 VAL . 30798 1 138 131 LEU . 30798 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 30798 1 . SER 2 2 30798 1 . GLY 3 3 30798 1 . GLY 4 4 30798 1 . GLY 5 5 30798 1 . GLY 6 6 30798 1 . GLY 7 7 30798 1 . MET 8 8 30798 1 . LEU 9 9 30798 1 . ARG 10 10 30798 1 . VAL 11 11 30798 1 . PHE 12 12 30798 1 . ILE 13 13 30798 1 . LEU 14 14 30798 1 . TYR 15 15 30798 1 . ALA 16 16 30798 1 . GLU 17 17 30798 1 . ASN 18 18 30798 1 . VAL 19 19 30798 1 . HIS 20 20 30798 1 . THR 21 21 30798 1 . PRO 22 22 30798 1 . ASP 23 23 30798 1 . THR 24 24 30798 1 . ASP 25 25 30798 1 . ILE 26 26 30798 1 . SER 27 27 30798 1 . ASP 28 28 30798 1 . ALA 29 29 30798 1 . TYR 30 30 30798 1 . CYS 31 31 30798 1 . SER 32 32 30798 1 . ALA 33 33 30798 1 . VAL 34 34 30798 1 . PHE 35 35 30798 1 . ALA 36 36 30798 1 . GLY 37 37 30798 1 . VAL 38 38 30798 1 . LYS 39 39 30798 1 . LYS 40 40 30798 1 . ARG 41 41 30798 1 . THR 42 42 30798 1 . LYS 43 43 30798 1 . VAL 44 44 30798 1 . ILE 45 45 30798 1 . LYS 46 46 30798 1 . ASN 47 47 30798 1 . SER 48 48 30798 1 . VAL 49 49 30798 1 . ASN 50 50 30798 1 . PRO 51 51 30798 1 . VAL 52 52 30798 1 . TRP 53 53 30798 1 . ASN 54 54 30798 1 . GLU 55 55 30798 1 . GLY 56 56 30798 1 . PHE 57 57 30798 1 . GLU 58 58 30798 1 . TRP 59 59 30798 1 . ASP 60 60 30798 1 . LEU 61 61 30798 1 . LYS 62 62 30798 1 . GLY 63 63 30798 1 . ILE 64 64 30798 1 . PRO 65 65 30798 1 . LEU 66 66 30798 1 . ASP 67 67 30798 1 . GLN 68 68 30798 1 . GLY 69 69 30798 1 . SER 70 70 30798 1 . GLU 71 71 30798 1 . LEU 72 72 30798 1 . HIS 73 73 30798 1 . VAL 74 74 30798 1 . VAL 75 75 30798 1 . VAL 76 76 30798 1 . LYS 77 77 30798 1 . ASP 78 78 30798 1 . HIS 79 79 30798 1 . GLU 80 80 30798 1 . THR 81 81 30798 1 . MET 82 82 30798 1 . GLY 83 83 30798 1 . ARG 84 84 30798 1 . ASN 85 85 30798 1 . ARG 86 86 30798 1 . PHE 87 87 30798 1 . LEU 88 88 30798 1 . GLY 89 89 30798 1 . GLU 90 90 30798 1 . ALA 91 91 30798 1 . LYS 92 92 30798 1 . VAL 93 93 30798 1 . PRO 94 94 30798 1 . LEU 95 95 30798 1 . ARG 96 96 30798 1 . GLU 97 97 30798 1 . VAL 98 98 30798 1 . LEU 99 99 30798 1 . ALA 100 100 30798 1 . THR 101 101 30798 1 . PRO 102 102 30798 1 . SER 103 103 30798 1 . LEU 104 104 30798 1 . SER 105 105 30798 1 . ALA 106 106 30798 1 . SER 107 107 30798 1 . PHE 108 108 30798 1 . ASN 109 109 30798 1 . ALA 110 110 30798 1 . PRO 111 111 30798 1 . LEU 112 112 30798 1 . LEU 113 113 30798 1 . ASP 114 114 30798 1 . THR 115 115 30798 1 . LYS 116 116 30798 1 . LYS 117 117 30798 1 . GLN 118 118 30798 1 . PRO 119 119 30798 1 . THR 120 120 30798 1 . GLY 121 121 30798 1 . ALA 122 122 30798 1 . SER 123 123 30798 1 . LEU 124 124 30798 1 . VAL 125 125 30798 1 . LEU 126 126 30798 1 . GLN 127 127 30798 1 . VAL 128 128 30798 1 . SER 129 129 30798 1 . TYR 130 130 30798 1 . THR 131 131 30798 1 . PRO 132 132 30798 1 . LEU 133 133 30798 1 . PRO 134 134 30798 1 . GLY 135 135 30798 1 . ALA 136 136 30798 1 . VAL 137 137 30798 1 . LEU 138 138 30798 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 30798 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'DYSF, FER1L1' . 30798 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 30798 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . Plasmid . . . . . . 30798 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30798 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM DSS, 25 mM MES, 150 mM NaCl, 5 mM EDTA, 1 mM DTT, 0.3 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O' _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 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 30798 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 30798 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30798 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 30798 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30798 1 6 Protein '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 30798 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30798 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM DSS, 25 mM MES, 150 mM NaCl, 5 mM EDTA, 1 mM DTT, 0.3 mM [U-13C; U-15N] Protein, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 30798 2 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 30798 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30798 2 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 30798 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30798 2 6 Protein '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 30798 2 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 30798 _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' 150 . mM 30798 1 pH 5.5 . pH 30798 1 pressure 1 . atm 30798 1 temperature 298.15 . K 30798 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30798 _Software.ID 1 _Software.Type . _Software.Name VnmrJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30798 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30798 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30798 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30798 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30798 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30798 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30798 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30798 3 'peak picking' . 30798 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30798 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30798 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30798 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30798 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.37 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30798 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30798 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cold-probe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30798 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 30798 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 30798 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 12 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30798 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30798 _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 0.000 internal indirect 0.251449530 . . . . . 30798 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30798 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30798 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30798 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 'these are the uncertainty (+/-) values used in cyana' _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 NH2 only' . . . 30798 1 2 '2D 1H-13C HSQC' . . . 30798 1 3 '3D HNCO' . . . 30798 1 4 '3D HN(CO)CA' . . . 30798 1 5 '3D HNCACB' . . . 30798 1 6 '3D CBCA(CO)NH' . . . 30798 1 7 '3D C(CO)NH' . . . 30798 1 8 '3D H(CCO)NH' . . . 30798 1 9 '3D 1H-15N NOESY' . . . 30798 1 10 '3D 1H-13C NOESY aliphatic' . . . 30798 1 11 '3D HCCH-TOCSY' . . . 30798 1 12 '3D HNCA' . . . 30798 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.6250 0.0000 . 1 . . 157255 . A -4 GLY HN . 30798 1 2 . 1 . 1 3 3 GLY N N 15 111.2400 0.0000 . 1 . . 157257 . A -4 GLY N . 30798 1 3 . 1 . 1 5 5 GLY HA2 H 1 4.0110 0.0000 . 2 . . . . A -2 GLY HA1 . 30798 1 4 . 1 . 1 5 5 GLY H H 1 8.3400 0.0000 . 1 . . . . A -2 GLY HN . 30798 1 5 . 1 . 1 5 5 GLY CA C 13 45.1630 0.0000 . 1 . . 154667 . A -2 GLY CA . 30798 1 6 . 1 . 1 5 5 GLY N N 15 108.5700 0.0000 . 1 . . . . A -2 GLY N . 30798 1 7 . 1 . 1 6 6 GLY HA2 H 1 4.1300 0.0000 . 2 . . . . A -1 GLY HA1 . 30798 1 8 . 1 . 1 6 6 GLY HA3 H 1 4.0060 0.0000 . 2 . . . . A -1 GLY HA2 . 30798 1 9 . 1 . 1 6 6 GLY H H 1 8.4780 0.0000 . 1 . . 154666 . A -1 GLY HN . 30798 1 10 . 1 . 1 6 6 GLY CA C 13 45.5960 0.0000 . 1 . . 154670 . A -1 GLY CA . 30798 1 11 . 1 . 1 6 6 GLY N N 15 108.5680 0.0000 . 1 . . 154668 . A -1 GLY N . 30798 1 12 . 1 . 1 7 7 GLY HA2 H 1 4.3790 0.0000 . 2 . . . . A 0 GLY HA1 . 30798 1 13 . 1 . 1 7 7 GLY HA3 H 1 3.9030 0.0000 . 2 . . . . A 0 GLY HA2 . 30798 1 14 . 1 . 1 7 7 GLY H H 1 8.2320 0.0000 . 1 . . 154510 . A 0 GLY HN . 30798 1 15 . 1 . 1 7 7 GLY CA C 13 44.8100 0.0000 . 1 . . 137596 . A 0 GLY CA . 30798 1 16 . 1 . 1 7 7 GLY N N 15 109.9220 0.0000 . 1 . . 154512 . A 0 GLY N . 30798 1 17 . 1 . 1 8 8 MET HA H 1 5.5280 0.0000 . 1 . . . . A 1 MET HA . 30798 1 18 . 1 . 1 8 8 MET HB2 H 1 1.9820 0.0000 . 2 . . . . A 1 MET HB1 . 30798 1 19 . 1 . 1 8 8 MET HB3 H 1 1.9470 0.0000 . 2 . . . . A 1 MET HB2 . 30798 1 20 . 1 . 1 8 8 MET HG2 H 1 2.4090 0.0000 . 2 . . . . A 1 MET HG1 . 30798 1 21 . 1 . 1 8 8 MET HG3 H 1 2.4930 0.0000 . 2 . . . . A 1 MET HG2 . 30798 1 22 . 1 . 1 8 8 MET HE1 H 1 1.9930 0.0000 . 1 . . . . A 1 MET HE1 . 30798 1 23 . 1 . 1 8 8 MET HE2 H 1 1.9930 0.0000 . 1 . . . . A 1 MET HE2 . 30798 1 24 . 1 . 1 8 8 MET HE3 H 1 1.9930 0.0000 . 1 . . . . A 1 MET HE3 . 30798 1 25 . 1 . 1 8 8 MET H H 1 8.5620 0.0000 . 1 . . 139980 . A 1 MET HN . 30798 1 26 . 1 . 1 8 8 MET CA C 13 54.4190 0.0000 . 1 . . 138526 . A 1 MET CA . 30798 1 27 . 1 . 1 8 8 MET CB C 13 36.8760 0.0000 . 1 . . 138124 . A 1 MET CB . 30798 1 28 . 1 . 1 8 8 MET CG C 13 32.0220 0.0000 . 1 . . . . A 1 MET CG . 30798 1 29 . 1 . 1 8 8 MET CE C 13 17.0540 0.0000 . 1 . . . . A 1 MET CE . 30798 1 30 . 1 . 1 8 8 MET N N 15 119.9420 0.0000 . 1 . . 139982 . A 1 MET N . 30798 1 31 . 1 . 1 9 9 LEU HA H 1 5.2080 0.0000 . 1 . . . . A 2 LEU HA . 30798 1 32 . 1 . 1 9 9 LEU HB2 H 1 1.1330 0.0000 . 2 . . . . A 2 LEU HB1 . 30798 1 33 . 1 . 1 9 9 LEU HB3 H 1 2.0120 0.0000 . 2 . . . . A 2 LEU HB2 . 30798 1 34 . 1 . 1 9 9 LEU HG H 1 1.2690 0.0000 . 1 . . . . A 2 LEU HG . 30798 1 35 . 1 . 1 9 9 LEU HD11 H 1 0.6430 0.0000 . 2 . . . . A 2 LEU HD11 . 30798 1 36 . 1 . 1 9 9 LEU HD12 H 1 0.6430 0.0000 . 2 . . . . A 2 LEU HD12 . 30798 1 37 . 1 . 1 9 9 LEU HD13 H 1 0.6430 0.0000 . 2 . . . . A 2 LEU HD13 . 30798 1 38 . 1 . 1 9 9 LEU HD21 H 1 -0.3320 0.0000 . 2 . . . . A 2 LEU HD21 . 30798 1 39 . 1 . 1 9 9 LEU HD22 H 1 -0.3320 0.0000 . 2 . . . . A 2 LEU HD22 . 30798 1 40 . 1 . 1 9 9 LEU HD23 H 1 -0.3320 0.0000 . 2 . . . . A 2 LEU HD23 . 30798 1 41 . 1 . 1 9 9 LEU H H 1 8.9720 0.0000 . 1 . . 137364 . A 2 LEU HN . 30798 1 42 . 1 . 1 9 9 LEU CA C 13 53.4500 0.0000 . 1 . . 138022 . A 2 LEU CA . 30798 1 43 . 1 . 1 9 9 LEU CB C 13 46.0880 0.0000 . 1 . . 138037 . A 2 LEU CB . 30798 1 44 . 1 . 1 9 9 LEU CG C 13 24.8510 0.0000 . 1 . . . . A 2 LEU CG . 30798 1 45 . 1 . 1 9 9 LEU CD1 C 13 23.8480 0.0000 . 2 . . . . A 2 LEU CD1 . 30798 1 46 . 1 . 1 9 9 LEU CD2 C 13 25.0320 0.0000 . 2 . . . . A 2 LEU CD2 . 30798 1 47 . 1 . 1 9 9 LEU N N 15 127.1980 0.0000 . 1 . . 137366 . A 2 LEU N . 30798 1 48 . 1 . 1 10 10 ARG HA H 1 5.5180 0.0000 . 1 . . . . A 3 ARG HA . 30798 1 49 . 1 . 1 10 10 ARG HB2 H 1 1.8910 0.0000 . 2 . . . . A 3 ARG HB1 . 30798 1 50 . 1 . 1 10 10 ARG HB3 H 1 1.8320 0.0000 . 2 . . . . A 3 ARG HB2 . 30798 1 51 . 1 . 1 10 10 ARG HG2 H 1 1.5580 0.0000 . 2 . . . . A 3 ARG HG1 . 30798 1 52 . 1 . 1 10 10 ARG HG3 H 1 1.6660 0.0000 . 2 . . . . A 3 ARG HG2 . 30798 1 53 . 1 . 1 10 10 ARG HD3 H 1 3.1820 0.0000 . 2 . . . . A 3 ARG HD2 . 30798 1 54 . 1 . 1 10 10 ARG H H 1 9.3630 0.0000 . 1 . . 137310 . A 3 ARG HN . 30798 1 55 . 1 . 1 10 10 ARG CA C 13 55.2700 0.0000 . 1 . . 140361 . A 3 ARG CA . 30798 1 56 . 1 . 1 10 10 ARG CB C 13 32.5800 0.0000 . 1 . . 140360 . A 3 ARG CB . 30798 1 57 . 1 . 1 10 10 ARG CG C 13 28.7130 0.0000 . 1 . . . . A 3 ARG CG . 30798 1 58 . 1 . 1 10 10 ARG CD C 13 43.4310 0.0000 . 1 . . . . A 3 ARG CD . 30798 1 59 . 1 . 1 10 10 ARG N N 15 127.2860 0.0000 . 1 . . 137312 . A 3 ARG N . 30798 1 60 . 1 . 1 11 11 VAL HA H 1 5.0720 0.0000 . 1 . . . . A 4 VAL HA . 30798 1 61 . 1 . 1 11 11 VAL HB H 1 2.2210 0.0000 . 1 . . . . A 4 VAL HB . 30798 1 62 . 1 . 1 11 11 VAL HG11 H 1 0.9500 0.0000 . 2 . . . . A 4 VAL HG11 . 30798 1 63 . 1 . 1 11 11 VAL HG12 H 1 0.9500 0.0000 . 2 . . . . A 4 VAL HG12 . 30798 1 64 . 1 . 1 11 11 VAL HG13 H 1 0.9500 0.0000 . 2 . . . . A 4 VAL HG13 . 30798 1 65 . 1 . 1 11 11 VAL HG21 H 1 1.0370 0.0000 . 2 . . . . A 4 VAL HG21 . 30798 1 66 . 1 . 1 11 11 VAL HG22 H 1 1.0370 0.0000 . 2 . . . . A 4 VAL HG22 . 30798 1 67 . 1 . 1 11 11 VAL HG23 H 1 1.0370 0.0000 . 2 . . . . A 4 VAL HG23 . 30798 1 68 . 1 . 1 11 11 VAL H H 1 8.9980 0.0000 . 1 . . 138303 . A 4 VAL HN . 30798 1 69 . 1 . 1 11 11 VAL CA C 13 60.2300 0.0000 . 1 . . 138154 . A 4 VAL CA . 30798 1 70 . 1 . 1 11 11 VAL CB C 13 36.3420 0.0000 . 1 . . 164451 . A 4 VAL CB . 30798 1 71 . 1 . 1 11 11 VAL CG1 C 13 22.0600 0.0000 . 2 . . . . A 4 VAL CG1 . 30798 1 72 . 1 . 1 11 11 VAL CG2 C 13 23.3660 0.0000 . 2 . . . . A 4 VAL CG2 . 30798 1 73 . 1 . 1 11 11 VAL N N 15 123.5350 0.0000 . 1 . . 138305 . A 4 VAL N . 30798 1 74 . 1 . 1 12 12 PHE HA H 1 5.0400 0.0000 . 1 . . . . A 5 PHE HA . 30798 1 75 . 1 . 1 12 12 PHE HB2 H 1 2.8820 0.0000 . 2 . . . . A 5 PHE HB1 . 30798 1 76 . 1 . 1 12 12 PHE HB3 H 1 3.0990 0.0000 . 2 . . . . A 5 PHE HB2 . 30798 1 77 . 1 . 1 12 12 PHE H H 1 9.6920 0.0000 . 1 . . 158852 . A 5 PHE HN . 30798 1 78 . 1 . 1 12 12 PHE CA C 13 57.0800 0.0000 . 1 . . 144152 . A 5 PHE CA . 30798 1 79 . 1 . 1 12 12 PHE CB C 13 41.7780 0.0000 . 1 . . 140561 . A 5 PHE CB . 30798 1 80 . 1 . 1 12 12 PHE N N 15 129.7400 0.0000 . 1 . . 158854 . A 5 PHE N . 30798 1 81 . 1 . 1 13 13 ILE HA H 1 3.9600 0.0000 . 1 . . . . A 6 ILE HA . 30798 1 82 . 1 . 1 13 13 ILE HB H 1 1.9370 0.0000 . 1 . . . . A 6 ILE HB . 30798 1 83 . 1 . 1 13 13 ILE HG21 H 1 0.8290 0.0000 . 1 . . . . A 6 ILE HG21 . 30798 1 84 . 1 . 1 13 13 ILE HG22 H 1 0.8290 0.0000 . 1 . . . . A 6 ILE HG22 . 30798 1 85 . 1 . 1 13 13 ILE HG23 H 1 0.8290 0.0000 . 1 . . . . A 6 ILE HG23 . 30798 1 86 . 1 . 1 13 13 ILE HD11 H 1 0.5520 0.0000 . 1 . . . . A 6 ILE HD11 . 30798 1 87 . 1 . 1 13 13 ILE HD12 H 1 0.5520 0.0000 . 1 . . . . A 6 ILE HD12 . 30798 1 88 . 1 . 1 13 13 ILE HD13 H 1 0.5520 0.0000 . 1 . . . . A 6 ILE HD13 . 30798 1 89 . 1 . 1 13 13 ILE H H 1 8.9640 0.0000 . 1 . . 144130 . A 6 ILE HN . 30798 1 90 . 1 . 1 13 13 ILE CA C 13 60.2200 0.0000 . 1 . . 144137 . A 6 ILE CA . 30798 1 91 . 1 . 1 13 13 ILE CB C 13 36.9150 0.0000 . 1 . . 144146 . A 6 ILE CB . 30798 1 92 . 1 . 1 13 13 ILE CG2 C 13 18.7890 0.0000 . 1 . . . . A 6 ILE CG2 . 30798 1 93 . 1 . 1 13 13 ILE CD1 C 13 11.6210 0.0000 . 1 . . . . A 6 ILE CD1 . 30798 1 94 . 1 . 1 13 13 ILE N N 15 127.7600 0.0000 . 1 . . 144132 . A 6 ILE N . 30798 1 95 . 1 . 1 14 14 LEU HA H 1 4.8620 0.0000 . 1 . . . . A 7 LEU HA . 30798 1 96 . 1 . 1 14 14 LEU HB2 H 1 1.9300 0.0000 . 2 . . . . A 7 LEU HB1 . 30798 1 97 . 1 . 1 14 14 LEU HB3 H 1 1.8150 0.0000 . 2 . . . . A 7 LEU HB2 . 30798 1 98 . 1 . 1 14 14 LEU HG H 1 1.2540 0.0000 . 1 . . . . A 7 LEU HG . 30798 1 99 . 1 . 1 14 14 LEU HD11 H 1 1.0210 0.0000 . 2 . . . . A 7 LEU HD11 . 30798 1 100 . 1 . 1 14 14 LEU HD12 H 1 1.0210 0.0000 . 2 . . . . A 7 LEU HD12 . 30798 1 101 . 1 . 1 14 14 LEU HD13 H 1 1.0210 0.0000 . 2 . . . . A 7 LEU HD13 . 30798 1 102 . 1 . 1 14 14 LEU HD21 H 1 0.4350 0.0000 . 2 . . . . A 7 LEU HD21 . 30798 1 103 . 1 . 1 14 14 LEU HD22 H 1 0.4350 0.0000 . 2 . . . . A 7 LEU HD22 . 30798 1 104 . 1 . 1 14 14 LEU HD23 H 1 0.4350 0.0000 . 2 . . . . A 7 LEU HD23 . 30798 1 105 . 1 . 1 14 14 LEU H H 1 8.2840 0.0000 . 1 . . 144310 . A 7 LEU HN . 30798 1 106 . 1 . 1 14 14 LEU CA C 13 58.4130 0.0000 . 1 . . 137746 . A 7 LEU CA . 30798 1 107 . 1 . 1 14 14 LEU CB C 13 41.6640 0.0000 . 1 . . 137752 . A 7 LEU CB . 30798 1 108 . 1 . 1 14 14 LEU CG C 13 28.2710 0.0000 . 1 . . . . A 7 LEU CG . 30798 1 109 . 1 . 1 14 14 LEU CD1 C 13 25.9650 0.0000 . 2 . . . . A 7 LEU CD1 . 30798 1 110 . 1 . 1 14 14 LEU CD2 C 13 26.4670 0.0000 . 2 . . . . A 7 LEU CD2 . 30798 1 111 . 1 . 1 14 14 LEU N N 15 127.9740 0.0000 . 1 . . 144312 . A 7 LEU N . 30798 1 112 . 1 . 1 15 15 TYR HA H 1 5.5330 0.0000 . 1 . . . . A 8 TYR HA . 30798 1 113 . 1 . 1 15 15 TYR HB3 H 1 3.1270 0.0000 . 2 . . . . A 8 TYR HB2 . 30798 1 114 . 1 . 1 15 15 TYR H H 1 7.2010 0.0000 . 1 . . 138879 . A 8 TYR HN . 30798 1 115 . 1 . 1 15 15 TYR CA C 13 55.0350 0.0000 . 1 . . 138886 . A 8 TYR CA . 30798 1 116 . 1 . 1 15 15 TYR CB C 13 41.8480 0.0000 . 1 . . 138895 . A 8 TYR CB . 30798 1 117 . 1 . 1 15 15 TYR N N 15 112.1250 0.0000 . 1 . . 138881 . A 8 TYR N . 30798 1 118 . 1 . 1 16 16 ALA HA H 1 5.6480 0.0000 . 1 . . . . A 9 ALA HA . 30798 1 119 . 1 . 1 16 16 ALA HB1 H 1 1.4510 0.0000 . 1 . . . . A 9 ALA HB1 . 30798 1 120 . 1 . 1 16 16 ALA HB2 H 1 1.4510 0.0000 . 1 . . . . A 9 ALA HB2 . 30798 1 121 . 1 . 1 16 16 ALA HB3 H 1 1.4510 0.0000 . 1 . . . . A 9 ALA HB3 . 30798 1 122 . 1 . 1 16 16 ALA H H 1 8.5480 0.0000 . 1 . . 137598 . A 9 ALA HN . 30798 1 123 . 1 . 1 16 16 ALA CA C 13 49.6270 0.0000 . 1 . . 164462 . A 9 ALA CA . 30798 1 124 . 1 . 1 16 16 ALA CB C 13 22.6400 0.0000 . 1 . . 138613 . A 9 ALA CB . 30798 1 125 . 1 . 1 16 16 ALA N N 15 120.0210 0.0000 . 1 . . 137600 . A 9 ALA N . 30798 1 126 . 1 . 1 17 17 GLU HA H 1 5.0933 0.0000 . 1 . . . . A 10 GLU HA . 30798 1 127 . 1 . 1 17 17 GLU HB3 H 1 1.9760 0.0000 . 2 . . . . A 10 GLU HB2 . 30798 1 128 . 1 . 1 17 17 GLU HG3 H 1 2.2164 0.0000 . 2 . . . . A 10 GLU HG2 . 30798 1 129 . 1 . 1 17 17 GLU H H 1 8.7680 0.0000 . 1 . . 146438 . A 10 GLU HN . 30798 1 130 . 1 . 1 17 17 GLU CA C 13 54.2290 0.0000 . 1 . . 146445 . A 10 GLU CA . 30798 1 131 . 1 . 1 17 17 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 10 GLU CB . 30798 1 132 . 1 . 1 17 17 GLU N N 15 116.3690 0.0000 . 1 . . 146440 . A 10 GLU N . 30798 1 133 . 1 . 1 18 18 ASN HA H 1 4.1370 0.0000 . 1 . . . . A 11 ASN HA . 30798 1 134 . 1 . 1 18 18 ASN HB2 H 1 3.1590 0.0000 . 2 . . . . A 11 ASN HB1 . 30798 1 135 . 1 . 1 18 18 ASN HB3 H 1 2.8650 0.0000 . 2 . . . . A 11 ASN HB2 . 30798 1 136 . 1 . 1 18 18 ASN HD21 H 1 7.4350 0.0000 . 2 . . . . A 11 ASN HD21 . 30798 1 137 . 1 . 1 18 18 ASN HD22 H 1 7.0010 0.0000 . 2 . . . . A 11 ASN HD22 . 30798 1 138 . 1 . 1 18 18 ASN H H 1 8.6910 0.0000 . 1 . . . . A 11 ASN HN . 30798 1 139 . 1 . 1 18 18 ASN CA C 13 54.0550 0.0000 . 1 . . . . A 11 ASN CA . 30798 1 140 . 1 . 1 18 18 ASN CB C 13 37.4280 0.0000 . 1 . . . . A 11 ASN CB . 30798 1 141 . 1 . 1 18 18 ASN N N 15 117.7650 0.0000 . 1 . . . . A 11 ASN N . 30798 1 142 . 1 . 1 18 18 ASN ND2 N 15 113.4010 0.0000 . 1 . . . . A 11 ASN ND2 . 30798 1 143 . 1 . 1 19 19 VAL HG21 H 1 0.6920 0.0000 . 2 . . . . A 12 VAL HG21 . 30798 1 144 . 1 . 1 19 19 VAL HG22 H 1 0.6920 0.0000 . 2 . . . . A 12 VAL HG22 . 30798 1 145 . 1 . 1 19 19 VAL HG23 H 1 0.6920 0.0000 . 2 . . . . A 12 VAL HG23 . 30798 1 146 . 1 . 1 19 19 VAL H H 1 8.9330 0.0000 . 1 . . . . A 12 VAL HN . 30798 1 147 . 1 . 1 19 19 VAL N N 15 118.0390 0.0000 . 1 . . . . A 12 VAL N . 30798 1 148 . 1 . 1 20 20 HIS HA H 1 4.9980 0.0000 . 1 . . . . A 13 HIS HA . 30798 1 149 . 1 . 1 20 20 HIS HB2 H 1 3.2520 0.0000 . 2 . . . . A 13 HIS HB1 . 30798 1 150 . 1 . 1 20 20 HIS HB3 H 1 2.9720 0.0000 . 2 . . . . A 13 HIS HB2 . 30798 1 151 . 1 . 1 20 20 HIS HD2 H 1 7.0400 0.0000 . 1 . . . . A 13 HIS HD2 . 30798 1 152 . 1 . 1 21 21 THR HA H 1 4.7710 0.0000 . 1 . . . . A 14 THR HA . 30798 1 153 . 1 . 1 21 21 THR HB H 1 4.4430 0.0000 . 1 . . . . A 14 THR HB . 30798 1 154 . 1 . 1 21 21 THR HG21 H 1 1.1570 0.0000 . 1 . . . . A 14 THR HG21 . 30798 1 155 . 1 . 1 21 21 THR HG22 H 1 1.1570 0.0000 . 1 . . . . A 14 THR HG22 . 30798 1 156 . 1 . 1 21 21 THR HG23 H 1 1.1570 0.0000 . 1 . . . . A 14 THR HG23 . 30798 1 157 . 1 . 1 21 21 THR H H 1 8.4570 0.0000 . 1 . . . . A 14 THR HN . 30798 1 158 . 1 . 1 21 21 THR N N 15 116.4940 0.0000 . 1 . . . . A 14 THR N . 30798 1 159 . 1 . 1 22 22 PRO HA H 1 4.4910 0.0000 . 1 . . . . A 15 PRO HA . 30798 1 160 . 1 . 1 22 22 PRO HB2 H 1 2.3720 0.0000 . 2 . . . . A 15 PRO HB1 . 30798 1 161 . 1 . 1 22 22 PRO HB3 H 1 1.9900 0.0000 . 2 . . . . A 15 PRO HB2 . 30798 1 162 . 1 . 1 22 22 PRO HG2 H 1 1.9590 0.0000 . 2 . . . . A 15 PRO HG1 . 30798 1 163 . 1 . 1 22 22 PRO HG3 H 1 2.1130 0.0000 . 2 . . . . A 15 PRO HG2 . 30798 1 164 . 1 . 1 22 22 PRO HD2 H 1 3.8490 0.0000 . 2 . . . . A 15 PRO HD1 . 30798 1 165 . 1 . 1 22 22 PRO HD3 H 1 3.7350 0.0000 . 2 . . . . A 15 PRO HD2 . 30798 1 166 . 1 . 1 22 22 PRO CA C 13 62.6950 0.0000 . 1 . . . . A 15 PRO CA . 30798 1 167 . 1 . 1 22 22 PRO CB C 13 32.0170 0.0000 . 1 . . . . A 15 PRO CB . 30798 1 168 . 1 . 1 22 22 PRO CD C 13 50.8310 0.0000 . 1 . . . . A 15 PRO CD . 30798 1 169 . 1 . 1 23 23 ASP HA H 1 4.5900 0.0000 . 1 . . . . A 16 ASP HA . 30798 1 170 . 1 . 1 23 23 ASP HB2 H 1 2.7730 0.0000 . 2 . . . . A 16 ASP HB1 . 30798 1 171 . 1 . 1 23 23 ASP H H 1 8.2980 0.0000 . 1 . . . . A 16 ASP HN . 30798 1 172 . 1 . 1 23 23 ASP CA C 13 54.5300 0.0000 . 1 . . . . A 16 ASP CA . 30798 1 173 . 1 . 1 23 23 ASP CB C 13 40.8850 0.0000 . 1 . . . . A 16 ASP CB . 30798 1 174 . 1 . 1 23 23 ASP N N 15 115.2990 0.0000 . 1 . . . . A 16 ASP N . 30798 1 175 . 1 . 1 24 24 THR HA H 1 4.1470 0.0000 . 1 . . . . A 17 THR HA . 30798 1 176 . 1 . 1 24 24 THR HB H 1 4.4270 0.0000 . 1 . . . . A 17 THR HB . 30798 1 177 . 1 . 1 24 24 THR HG21 H 1 1.1620 0.0000 . 1 . . . . A 17 THR HG21 . 30798 1 178 . 1 . 1 24 24 THR HG22 H 1 1.1620 0.0000 . 1 . . . . A 17 THR HG22 . 30798 1 179 . 1 . 1 24 24 THR HG23 H 1 1.1620 0.0000 . 1 . . . . A 17 THR HG23 . 30798 1 180 . 1 . 1 24 24 THR H H 1 7.9100 0.0000 . 1 . . . . A 17 THR HN . 30798 1 181 . 1 . 1 24 24 THR N N 15 112.5540 0.0000 . 1 . . . . A 17 THR N . 30798 1 182 . 1 . 1 25 25 ASP HA H 1 4.6400 0.0000 . 1 . . . . A 18 ASP HA . 30798 1 183 . 1 . 1 25 25 ASP HB2 H 1 2.6850 0.0000 . 2 . . . . A 18 ASP HB1 . 30798 1 184 . 1 . 1 25 25 ASP HB3 H 1 2.6200 0.0000 . 2 . . . . A 18 ASP HB2 . 30798 1 185 . 1 . 1 25 25 ASP H H 1 8.2850 0.0000 . 1 . . . . A 18 ASP HN . 30798 1 186 . 1 . 1 25 25 ASP CA C 13 53.9960 0.0000 . 1 . . . . A 18 ASP CA . 30798 1 187 . 1 . 1 25 25 ASP CB C 13 41.5170 0.0000 . 1 . . . . A 18 ASP CB . 30798 1 188 . 1 . 1 25 25 ASP N N 15 121.2660 0.0000 . 1 . . . . A 18 ASP N . 30798 1 189 . 1 . 1 26 26 ILE HA H 1 4.2710 0.0000 . 1 . . . . A 19 ILE HA . 30798 1 190 . 1 . 1 26 26 ILE HB H 1 1.7800 0.0000 . 1 . . . . A 19 ILE HB . 30798 1 191 . 1 . 1 26 26 ILE HG12 H 1 1.4530 0.0000 . 2 . . . . A 19 ILE HG11 . 30798 1 192 . 1 . 1 26 26 ILE HG13 H 1 1.1360 0.0000 . 2 . . . . A 19 ILE HG12 . 30798 1 193 . 1 . 1 26 26 ILE HG21 H 1 0.8400 0.0000 . 1 . . . . A 19 ILE HG21 . 30798 1 194 . 1 . 1 26 26 ILE HG22 H 1 0.8400 0.0000 . 1 . . . . A 19 ILE HG22 . 30798 1 195 . 1 . 1 26 26 ILE HG23 H 1 0.8400 0.0000 . 1 . . . . A 19 ILE HG23 . 30798 1 196 . 1 . 1 26 26 ILE HD11 H 1 0.7730 0.0000 . 1 . . . . A 19 ILE HD11 . 30798 1 197 . 1 . 1 26 26 ILE HD12 H 1 0.7730 0.0000 . 1 . . . . A 19 ILE HD12 . 30798 1 198 . 1 . 1 26 26 ILE HD13 H 1 0.7730 0.0000 . 1 . . . . A 19 ILE HD13 . 30798 1 199 . 1 . 1 26 26 ILE H H 1 7.9660 0.0000 . 1 . . . . A 19 ILE HN . 30798 1 200 . 1 . 1 26 26 ILE CA C 13 60.5330 0.0000 . 1 . . . . A 19 ILE CA . 30798 1 201 . 1 . 1 26 26 ILE CB C 13 39.2630 0.0000 . 1 . . . . A 19 ILE CB . 30798 1 202 . 1 . 1 26 26 ILE CG1 C 13 27.4270 0.0000 . 1 . . . . A 19 ILE CG1 . 30798 1 203 . 1 . 1 26 26 ILE CG2 C 13 17.8870 0.0000 . 1 . . . . A 19 ILE CG2 . 30798 1 204 . 1 . 1 26 26 ILE CD1 C 13 13.3900 0.0000 . 1 . . . . A 19 ILE CD1 . 30798 1 205 . 1 . 1 26 26 ILE N N 15 119.3970 0.0000 . 1 . . . . A 19 ILE N . 30798 1 206 . 1 . 1 29 29 ALA HA H 1 5.4930 0.0000 . 1 . . . . A 22 ALA HA . 30798 1 207 . 1 . 1 29 29 ALA HB1 H 1 1.3900 0.0000 . 1 . . . . A 22 ALA HB1 . 30798 1 208 . 1 . 1 29 29 ALA HB2 H 1 1.3900 0.0000 . 1 . . . . A 22 ALA HB2 . 30798 1 209 . 1 . 1 29 29 ALA HB3 H 1 1.3900 0.0000 . 1 . . . . A 22 ALA HB3 . 30798 1 210 . 1 . 1 29 29 ALA CA C 13 51.8130 0.0000 . 1 . . . . A 22 ALA CA . 30798 1 211 . 1 . 1 29 29 ALA CB C 13 21.4880 0.0000 . 1 . . . . A 22 ALA CB . 30798 1 212 . 1 . 1 31 31 CYS HA H 1 5.0900 0.0000 . 1 . . . . A 24 CYS HA . 30798 1 213 . 1 . 1 31 31 CYS HB3 H 1 1.7930 0.0000 . 2 . . . . A 24 CYS HB2 . 30798 1 214 . 1 . 1 31 31 CYS H H 1 8.0750 0.0000 . 1 . . . . A 24 CYS HN . 30798 1 215 . 1 . 1 31 31 CYS CA C 13 57.1180 0.0000 . 1 . . . . A 24 CYS CA . 30798 1 216 . 1 . 1 31 31 CYS CB C 13 29.3310 0.0000 . 1 . . . . A 24 CYS CB . 30798 1 217 . 1 . 1 31 31 CYS N N 15 116.5470 0.0000 . 1 . . . . A 24 CYS N . 30798 1 218 . 1 . 1 32 32 SER HA H 1 5.3700 0.0000 . 1 . . . . A 25 SER HA . 30798 1 219 . 1 . 1 32 32 SER HB2 H 1 3.6500 0.0000 . 2 . . . . A 25 SER HB1 . 30798 1 220 . 1 . 1 32 32 SER HB3 H 1 3.7122 0.0000 . 2 . . . . A 25 SER HB2 . 30798 1 221 . 1 . 1 32 32 SER H H 1 9.2160 0.0000 . 1 . . . . A 25 SER HN . 30798 1 222 . 1 . 1 32 32 SER CA C 13 56.2410 0.0000 . 1 . . . . A 25 SER CA . 30798 1 223 . 1 . 1 32 32 SER CB C 13 64.9630 0.0000 . 1 . . 137326 . A 25 SER CB . 30798 1 224 . 1 . 1 32 32 SER N N 15 119.5190 0.0000 . 1 . . . . A 25 SER N . 30798 1 225 . 1 . 1 33 33 ALA HA H 1 5.4490 0.0000 . 1 . . . . A 26 ALA HA . 30798 1 226 . 1 . 1 33 33 ALA HB1 H 1 1.3440 0.0000 . 1 . . . . A 26 ALA HB1 . 30798 1 227 . 1 . 1 33 33 ALA HB2 H 1 1.3440 0.0000 . 1 . . . . A 26 ALA HB2 . 30798 1 228 . 1 . 1 33 33 ALA HB3 H 1 1.3440 0.0000 . 1 . . . . A 26 ALA HB3 . 30798 1 229 . 1 . 1 33 33 ALA H H 1 9.1320 0.0000 . 1 . . 138075 . A 26 ALA HN . 30798 1 230 . 1 . 1 33 33 ALA CA C 13 50.2410 0.0000 . 1 . . 138106 . A 26 ALA CA . 30798 1 231 . 1 . 1 33 33 ALA CB C 13 23.1250 0.0000 . 1 . . 138139 . A 26 ALA CB . 30798 1 232 . 1 . 1 33 33 ALA N N 15 126.9190 0.0000 . 1 . . 138077 . A 26 ALA N . 30798 1 233 . 1 . 1 34 34 VAL HA H 1 5.0510 0.0000 . 1 . . . . A 27 VAL HA . 30798 1 234 . 1 . 1 34 34 VAL HB H 1 1.9600 0.0000 . 1 . . . . A 27 VAL HB . 30798 1 235 . 1 . 1 34 34 VAL HG21 H 1 0.8190 0.0000 . 2 . . . . A 27 VAL HG21 . 30798 1 236 . 1 . 1 34 34 VAL HG22 H 1 0.8190 0.0000 . 2 . . . . A 27 VAL HG22 . 30798 1 237 . 1 . 1 34 34 VAL HG23 H 1 0.8190 0.0000 . 2 . . . . A 27 VAL HG23 . 30798 1 238 . 1 . 1 34 34 VAL H H 1 8.9380 0.0000 . 1 . . 139962 . A 27 VAL HN . 30798 1 239 . 1 . 1 34 34 VAL CA C 13 60.7830 0.0000 . 1 . . 138082 . A 27 VAL CA . 30798 1 240 . 1 . 1 34 34 VAL CB C 13 34.6820 0.0000 . 1 . . 138589 . A 27 VAL CB . 30798 1 241 . 1 . 1 34 34 VAL CG2 C 13 21.0800 0.0000 . 2 . . . . A 27 VAL CG2 . 30798 1 242 . 1 . 1 34 34 VAL N N 15 120.7900 0.0000 . 1 . . 139964 . A 27 VAL N . 30798 1 243 . 1 . 1 35 35 PHE HA H 1 4.2860 0.0000 . 1 . . . . A 28 PHE HA . 30798 1 244 . 1 . 1 35 35 PHE HB2 H 1 0.7520 0.0000 . 2 . . . . A 28 PHE HB1 . 30798 1 245 . 1 . 1 35 35 PHE HB3 H 1 1.6710 0.0000 . 2 . . . . A 28 PHE HB2 . 30798 1 246 . 1 . 1 35 35 PHE HD1 H 1 6.6640 0.0000 . 3 . . . . A 28 PHE HD1 . 30798 1 247 . 1 . 1 35 35 PHE HE1 H 1 7.0080 0.0000 . 3 . . . . A 28 PHE HE1 . 30798 1 248 . 1 . 1 35 35 PHE H H 1 7.8710 0.0000 . 1 . . 138081 . A 28 PHE HN . 30798 1 249 . 1 . 1 35 35 PHE CA C 13 57.9730 0.0000 . 1 . . 138091 . A 28 PHE CA . 30798 1 250 . 1 . 1 35 35 PHE CB C 13 40.4680 0.0000 . 1 . . 138121 . A 28 PHE CB . 30798 1 251 . 1 . 1 35 35 PHE N N 15 126.9740 0.0000 . 1 . . 138083 . A 28 PHE N . 30798 1 252 . 1 . 1 36 36 ALA HA H 1 3.5740 0.0000 . 1 . . . . A 29 ALA HA . 30798 1 253 . 1 . 1 36 36 ALA HB1 H 1 1.0090 0.0000 . 1 . . . . A 29 ALA HB1 . 30798 1 254 . 1 . 1 36 36 ALA HB2 H 1 1.0090 0.0000 . 1 . . . . A 29 ALA HB2 . 30798 1 255 . 1 . 1 36 36 ALA HB3 H 1 1.0090 0.0000 . 1 . . . . A 29 ALA HB3 . 30798 1 256 . 1 . 1 36 36 ALA H H 1 8.1590 0.0000 . 1 . . 137286 . A 29 ALA HN . 30798 1 257 . 1 . 1 36 36 ALA CA C 13 52.4390 0.0000 . 1 . . 137854 . A 29 ALA CA . 30798 1 258 . 1 . 1 36 36 ALA CB C 13 17.0220 0.0000 . 1 . . 137986 . A 29 ALA CB . 30798 1 259 . 1 . 1 36 36 ALA N N 15 129.7380 0.0000 . 1 . . 137288 . A 29 ALA N . 30798 1 260 . 1 . 1 37 37 GLY HA2 H 1 4.0720 0.0000 . 2 . . . . A 30 GLY HA1 . 30798 1 261 . 1 . 1 37 37 GLY HA3 H 1 3.4830 0.0000 . 2 . . . . A 30 GLY HA2 . 30798 1 262 . 1 . 1 37 37 GLY H H 1 8.2220 0.0000 . 1 . . 137853 . A 30 GLY HN . 30798 1 263 . 1 . 1 37 37 GLY CA C 13 45.3170 0.0000 . 1 . . 137437 . A 30 GLY CA . 30798 1 264 . 1 . 1 37 37 GLY N N 15 102.3250 0.0000 . 1 . . 137855 . A 30 GLY N . 30798 1 265 . 1 . 1 38 38 VAL HA H 1 4.3630 0.0000 . 1 . . . . A 31 VAL HA . 30798 1 266 . 1 . 1 38 38 VAL HB H 1 2.5580 0.0000 . 1 . . . . A 31 VAL HB . 30798 1 267 . 1 . 1 38 38 VAL HG11 H 1 1.1770 0.0000 . 2 . . . . A 31 VAL HG11 . 30798 1 268 . 1 . 1 38 38 VAL HG12 H 1 1.1770 0.0000 . 2 . . . . A 31 VAL HG12 . 30798 1 269 . 1 . 1 38 38 VAL HG13 H 1 1.1770 0.0000 . 2 . . . . A 31 VAL HG13 . 30798 1 270 . 1 . 1 38 38 VAL HG21 H 1 1.0770 0.0000 . 2 . . . . A 31 VAL HG21 . 30798 1 271 . 1 . 1 38 38 VAL HG22 H 1 1.0770 0.0000 . 2 . . . . A 31 VAL HG22 . 30798 1 272 . 1 . 1 38 38 VAL HG23 H 1 1.0770 0.0000 . 2 . . . . A 31 VAL HG23 . 30798 1 273 . 1 . 1 38 38 VAL H H 1 8.1920 0.0000 . 1 . . 137436 . A 31 VAL HN . 30798 1 274 . 1 . 1 38 38 VAL CA C 13 62.7220 0.0000 . 1 . . 138166 . A 31 VAL CA . 30798 1 275 . 1 . 1 38 38 VAL CB C 13 33.2610 0.0000 . 1 . . 138298 . A 31 VAL CB . 30798 1 276 . 1 . 1 38 38 VAL CG1 C 13 21.0920 0.0000 . 2 . . . . A 31 VAL CG1 . 30798 1 277 . 1 . 1 38 38 VAL CG2 C 13 21.5300 0.0000 . 2 . . . . A 31 VAL CG2 . 30798 1 278 . 1 . 1 38 38 VAL N N 15 123.3890 0.0000 . 1 . . 137438 . A 31 VAL N . 30798 1 279 . 1 . 1 39 39 LYS HA H 1 5.1630 0.0000 . 1 . . . . A 32 LYS HA . 30798 1 280 . 1 . 1 39 39 LYS HB2 H 1 1.8070 0.0000 . 2 . . . . A 32 LYS HB1 . 30798 1 281 . 1 . 1 39 39 LYS HB3 H 1 1.7090 0.0000 . 2 . . . . A 32 LYS HB2 . 30798 1 282 . 1 . 1 39 39 LYS HG2 H 1 1.2560 0.0000 . 2 . . . . A 32 LYS HG1 . 30798 1 283 . 1 . 1 39 39 LYS HG3 H 1 1.2870 0.0000 . 2 . . . . A 32 LYS HG2 . 30798 1 284 . 1 . 1 39 39 LYS HD3 H 1 1.6460 0.0000 . 2 . . . . A 32 LYS HD2 . 30798 1 285 . 1 . 1 39 39 LYS HE3 H 1 2.9130 0.0000 . 2 . . . . A 32 LYS HE2 . 30798 1 286 . 1 . 1 39 39 LYS H H 1 8.8940 0.0000 . 1 . . 137265 . A 32 LYS HN . 30798 1 287 . 1 . 1 39 39 LYS CA C 13 55.7380 0.0000 . 1 . . 138100 . A 32 LYS CA . 30798 1 288 . 1 . 1 39 39 LYS CB C 13 34.2970 0.0000 . 1 . . 140476 . A 32 LYS CB . 30798 1 289 . 1 . 1 39 39 LYS CG C 13 25.0250 0.0000 . 1 . . . . A 32 LYS CG . 30798 1 290 . 1 . 1 39 39 LYS CD C 13 29.2430 0.0000 . 1 . . . . A 32 LYS CD . 30798 1 291 . 1 . 1 39 39 LYS CE C 13 41.4450 0.0000 . 1 . . . . A 32 LYS CE . 30798 1 292 . 1 . 1 39 39 LYS N N 15 131.5160 0.0000 . 1 . . 137267 . A 32 LYS N . 30798 1 293 . 1 . 1 40 40 LYS HA H 1 4.4440 0.0000 . 1 . . . . A 33 LYS HA . 30798 1 294 . 1 . 1 40 40 LYS HB2 H 1 0.5950 0.0000 . 2 . . . . A 33 LYS HB1 . 30798 1 295 . 1 . 1 40 40 LYS HB3 H 1 0.7440 0.0000 . 2 . . . . A 33 LYS HB2 . 30798 1 296 . 1 . 1 40 40 LYS HG2 H 1 0.4350 0.0000 . 2 . . . . A 33 LYS HG1 . 30798 1 297 . 1 . 1 40 40 LYS HG3 H 1 0.9600 0.0000 . 2 . . . . A 33 LYS HG2 . 30798 1 298 . 1 . 1 40 40 LYS HD2 H 1 0.4760 0.0000 . 2 . . . . A 33 LYS HD1 . 30798 1 299 . 1 . 1 40 40 LYS HD3 H 1 1.2520 0.0000 . 2 . . . . A 33 LYS HD2 . 30798 1 300 . 1 . 1 40 40 LYS H H 1 9.1350 0.0000 . 1 . . 138099 . A 33 LYS HN . 30798 1 301 . 1 . 1 40 40 LYS CA C 13 54.0780 0.0000 . 1 . . 138103 . A 33 LYS CA . 30798 1 302 . 1 . 1 40 40 LYS CB C 13 35.0030 0.0000 . 1 . . 138691 . A 33 LYS CB . 30798 1 303 . 1 . 1 40 40 LYS CG C 13 26.3740 0.0000 . 1 . . . . A 33 LYS CG . 30798 1 304 . 1 . 1 40 40 LYS CD C 13 28.3040 0.0000 . 1 . . . . A 33 LYS CD . 30798 1 305 . 1 . 1 40 40 LYS N N 15 125.9750 0.0000 . 1 . . 138101 . A 33 LYS N . 30798 1 306 . 1 . 1 41 41 ARG HA H 1 5.5050 0.0000 . 1 . . . . A 34 ARG HA . 30798 1 307 . 1 . 1 41 41 ARG HB2 H 1 1.7940 0.0000 . 2 . . . . A 34 ARG HB1 . 30798 1 308 . 1 . 1 41 41 ARG HB3 H 1 1.9660 0.0000 . 2 . . . . A 34 ARG HB2 . 30798 1 309 . 1 . 1 41 41 ARG HG2 H 1 1.7810 0.0000 . 2 . . . . A 34 ARG HG1 . 30798 1 310 . 1 . 1 41 41 ARG HG3 H 1 1.4860 0.0000 . 2 . . . . A 34 ARG HG2 . 30798 1 311 . 1 . 1 41 41 ARG HD2 H 1 3.0060 0.0000 . 2 . . . . A 34 ARG HD1 . 30798 1 312 . 1 . 1 41 41 ARG HD3 H 1 2.8430 0.0000 . 2 . . . . A 34 ARG HD2 . 30798 1 313 . 1 . 1 41 41 ARG H H 1 8.2480 0.0000 . 1 . . 137667 . A 34 ARG HN . 30798 1 314 . 1 . 1 41 41 ARG CA C 13 54.3830 0.0000 . 1 . . 148674 . A 34 ARG CA . 30798 1 315 . 1 . 1 41 41 ARG CB C 13 33.9040 0.0000 . 1 . . 148675 . A 34 ARG CB . 30798 1 316 . 1 . 1 41 41 ARG CG C 13 25.3580 0.0000 . 1 . . . . A 34 ARG CG . 30798 1 317 . 1 . 1 41 41 ARG CD C 13 43.4320 0.0000 . 1 . . . . A 34 ARG CD . 30798 1 318 . 1 . 1 41 41 ARG N N 15 117.5310 0.0000 . 1 . . 137669 . A 34 ARG N . 30798 1 319 . 1 . 1 42 42 THR HA H 1 4.8770 0.0000 . 1 . . . . A 35 THR HA . 30798 1 320 . 1 . 1 42 42 THR HB H 1 4.7247 0.0000 . 1 . . . . A 35 THR HB . 30798 1 321 . 1 . 1 42 42 THR HG21 H 1 0.7870 0.0000 . 1 . . . . A 35 THR HG21 . 30798 1 322 . 1 . 1 42 42 THR HG22 H 1 0.7870 0.0000 . 1 . . . . A 35 THR HG22 . 30798 1 323 . 1 . 1 42 42 THR HG23 H 1 0.7870 0.0000 . 1 . . . . A 35 THR HG23 . 30798 1 324 . 1 . 1 42 42 THR H H 1 8.5260 0.0000 . 1 . . . . A 35 THR HN . 30798 1 325 . 1 . 1 42 42 THR CA C 13 60.8440 0.0000 . 1 . . . . A 35 THR CA . 30798 1 326 . 1 . 1 42 42 THR CB C 13 72.9130 0.0000 . 1 . . . . A 35 THR CB . 30798 1 327 . 1 . 1 42 42 THR CG2 C 13 20.4300 0.0000 . 1 . . . . A 35 THR CG2 . 30798 1 328 . 1 . 1 42 42 THR N N 15 111.5800 0.0000 . 1 . . . . A 35 THR N . 30798 1 329 . 1 . 1 43 43 LYS HA H 1 4.4540 0.0000 . 1 . . . . A 36 LYS HA . 30798 1 330 . 1 . 1 43 43 LYS HB2 H 1 2.1030 0.0000 . 2 . . . . A 36 LYS HB1 . 30798 1 331 . 1 . 1 43 43 LYS HB3 H 1 2.0240 0.0000 . 2 . . . . A 36 LYS HB2 . 30798 1 332 . 1 . 1 43 43 LYS HG2 H 1 1.7330 0.0000 . 2 . . . . A 36 LYS HG1 . 30798 1 333 . 1 . 1 43 43 LYS HG3 H 1 1.7740 0.0000 . 2 . . . . A 36 LYS HG2 . 30798 1 334 . 1 . 1 43 43 LYS HD2 H 1 1.8340 0.0000 . 2 . . . . A 36 LYS HD1 . 30798 1 335 . 1 . 1 43 43 LYS HE2 H 1 3.1300 0.0000 . 2 . . . . A 36 LYS HE1 . 30798 1 336 . 1 . 1 43 43 LYS H H 1 9.8930 0.0000 . 1 . . . . A 36 LYS HN . 30798 1 337 . 1 . 1 43 43 LYS CA C 13 56.4900 0.0000 . 1 . . . . A 36 LYS CA . 30798 1 338 . 1 . 1 43 43 LYS CB C 13 33.3500 0.0000 . 1 . . . . A 36 LYS CB . 30798 1 339 . 1 . 1 43 43 LYS CG C 13 24.9460 0.0000 . 1 . . . . A 36 LYS CG . 30798 1 340 . 1 . 1 43 43 LYS CD C 13 29.1800 0.0000 . 1 . . . . A 36 LYS CD . 30798 1 341 . 1 . 1 43 43 LYS CE C 13 41.9070 0.0000 . 1 . . . . A 36 LYS CE . 30798 1 342 . 1 . 1 43 43 LYS N N 15 119.4900 0.0000 . 1 . . . . A 36 LYS N . 30798 1 343 . 1 . 1 45 45 ILE HA H 1 4.4970 0.0000 . 1 . . . . A 38 ILE HA . 30798 1 344 . 1 . 1 45 45 ILE HB H 1 1.7390 0.0000 . 1 . . . . A 38 ILE HB . 30798 1 345 . 1 . 1 45 45 ILE HG12 H 1 0.5230 0.0000 . 2 . . . . A 38 ILE HG11 . 30798 1 346 . 1 . 1 45 45 ILE HG13 H 1 1.2530 0.0000 . 2 . . . . A 38 ILE HG12 . 30798 1 347 . 1 . 1 45 45 ILE HG21 H 1 0.7490 0.0000 . 1 . . . . A 38 ILE HG21 . 30798 1 348 . 1 . 1 45 45 ILE HG22 H 1 0.7490 0.0000 . 1 . . . . A 38 ILE HG22 . 30798 1 349 . 1 . 1 45 45 ILE HG23 H 1 0.7490 0.0000 . 1 . . . . A 38 ILE HG23 . 30798 1 350 . 1 . 1 45 45 ILE HD11 H 1 0.4900 0.0000 . 1 . . . . A 38 ILE HD11 . 30798 1 351 . 1 . 1 45 45 ILE HD12 H 1 0.4900 0.0000 . 1 . . . . A 38 ILE HD12 . 30798 1 352 . 1 . 1 45 45 ILE HD13 H 1 0.4900 0.0000 . 1 . . . . A 38 ILE HD13 . 30798 1 353 . 1 . 1 45 45 ILE H H 1 9.4730 0.0000 . 1 . . . . A 38 ILE HN . 30798 1 354 . 1 . 1 45 45 ILE CA C 13 58.3110 0.0000 . 1 . . . . A 38 ILE CA . 30798 1 355 . 1 . 1 45 45 ILE CB C 13 38.2270 0.0000 . 1 . . . . A 38 ILE CB . 30798 1 356 . 1 . 1 45 45 ILE CG1 C 13 26.5820 0.0000 . 1 . . . . A 38 ILE CG1 . 30798 1 357 . 1 . 1 45 45 ILE CG2 C 13 17.7960 0.0000 . 1 . . . . A 38 ILE CG2 . 30798 1 358 . 1 . 1 45 45 ILE CD1 C 13 10.9980 0.0000 . 1 . . . . A 38 ILE CD1 . 30798 1 359 . 1 . 1 45 45 ILE N N 15 129.9260 0.0000 . 1 . . . . A 38 ILE N . 30798 1 360 . 1 . 1 46 46 LYS HA H 1 4.3600 0.0000 . 1 . . . . A 39 LYS HA . 30798 1 361 . 1 . 1 46 46 LYS HB2 H 1 1.7260 0.0000 . 2 . . . . A 39 LYS HB1 . 30798 1 362 . 1 . 1 46 46 LYS HB3 H 1 1.6670 0.0000 . 2 . . . . A 39 LYS HB2 . 30798 1 363 . 1 . 1 46 46 LYS HG2 H 1 1.5190 0.0000 . 2 . . . . A 39 LYS HG1 . 30798 1 364 . 1 . 1 46 46 LYS HG3 H 1 1.4070 0.0000 . 2 . . . . A 39 LYS HG2 . 30798 1 365 . 1 . 1 46 46 LYS HD3 H 1 1.6020 0.0000 . 2 . . . . A 39 LYS HD2 . 30798 1 366 . 1 . 1 46 46 LYS HE3 H 1 2.9410 0.0000 . 2 . . . . A 39 LYS HE2 . 30798 1 367 . 1 . 1 46 46 LYS H H 1 8.5140 0.0000 . 1 . . . . A 39 LYS HN . 30798 1 368 . 1 . 1 46 46 LYS CA C 13 57.9530 0.0000 . 1 . . . . A 39 LYS CA . 30798 1 369 . 1 . 1 46 46 LYS CG C 13 25.2040 0.0000 . 1 . . . . A 39 LYS CG . 30798 1 370 . 1 . 1 46 46 LYS N N 15 126.7180 0.0000 . 1 . . . . A 39 LYS N . 30798 1 371 . 1 . 1 47 47 ASN HB3 H 1 2.6607 0.0000 . 2 . . . . A 40 ASN HB2 . 30798 1 372 . 1 . 1 47 47 ASN HD21 H 1 7.5560 0.0000 . 2 . . . . A 40 ASN HD21 . 30798 1 373 . 1 . 1 47 47 ASN HD22 H 1 6.6910 0.0000 . 2 . . . . A 40 ASN HD22 . 30798 1 374 . 1 . 1 47 47 ASN ND2 N 15 111.4800 0.0000 . 1 . . . . A 40 ASN ND2 . 30798 1 375 . 1 . 1 50 50 ASN HA H 1 5.5050 0.0000 . 1 . . . . A 43 ASN HA . 30798 1 376 . 1 . 1 50 50 ASN HB2 H 1 2.7270 0.0000 . 2 . . . . A 43 ASN HB1 . 30798 1 377 . 1 . 1 50 50 ASN HB3 H 1 2.5820 0.0000 . 2 . . . . A 43 ASN HB2 . 30798 1 378 . 1 . 1 50 50 ASN HD21 H 1 6.6610 0.0000 . 2 . . . . A 43 ASN HD21 . 30798 1 379 . 1 . 1 50 50 ASN HD22 H 1 7.5470 0.0000 . 2 . . . . A 43 ASN HD22 . 30798 1 380 . 1 . 1 50 50 ASN H H 1 7.8270 0.0000 . 1 . . . . A 43 ASN HN . 30798 1 381 . 1 . 1 50 50 ASN CA C 13 50.5590 0.0000 . 1 . . . . A 43 ASN CA . 30798 1 382 . 1 . 1 50 50 ASN CB C 13 40.0200 0.0000 . 1 . . . . A 43 ASN CB . 30798 1 383 . 1 . 1 50 50 ASN N N 15 117.5620 0.0000 . 1 . . . . A 43 ASN N . 30798 1 384 . 1 . 1 50 50 ASN ND2 N 15 114.2130 0.0000 . 1 . . . . A 43 ASN ND2 . 30798 1 385 . 1 . 1 52 52 VAL HA H 1 4.1060 0.0000 . 1 . . . . A 45 VAL HA . 30798 1 386 . 1 . 1 52 52 VAL HB H 1 1.8930 0.0000 . 1 . . . . A 45 VAL HB . 30798 1 387 . 1 . 1 52 52 VAL HG11 H 1 0.8810 0.0000 . 2 . . . . A 45 VAL HG11 . 30798 1 388 . 1 . 1 52 52 VAL HG12 H 1 0.8810 0.0000 . 2 . . . . A 45 VAL HG12 . 30798 1 389 . 1 . 1 52 52 VAL HG13 H 1 0.8810 0.0000 . 2 . . . . A 45 VAL HG13 . 30798 1 390 . 1 . 1 52 52 VAL HG21 H 1 0.8310 0.0000 . 2 . . . . A 45 VAL HG21 . 30798 1 391 . 1 . 1 52 52 VAL HG22 H 1 0.8310 0.0000 . 2 . . . . A 45 VAL HG22 . 30798 1 392 . 1 . 1 52 52 VAL HG23 H 1 0.8310 0.0000 . 2 . . . . A 45 VAL HG23 . 30798 1 393 . 1 . 1 52 52 VAL CA C 13 60.8980 0.0000 . 1 . . 143621 . A 45 VAL CA . 30798 1 394 . 1 . 1 52 52 VAL CB C 13 32.9570 0.0000 . 1 . . 143606 . A 45 VAL CB . 30798 1 395 . 1 . 1 52 52 VAL CG1 C 13 21.6100 0.0000 . 2 . . . . A 45 VAL CG1 . 30798 1 396 . 1 . 1 52 52 VAL CG2 C 13 20.4240 0.0000 . 2 . . . . A 45 VAL CG2 . 30798 1 397 . 1 . 1 53 53 TRP HA H 1 4.6620 0.0000 . 1 . . . . A 46 TRP HA . 30798 1 398 . 1 . 1 53 53 TRP HB2 H 1 3.2250 0.0000 . 2 . . . . A 46 TRP HB1 . 30798 1 399 . 1 . 1 53 53 TRP HB3 H 1 2.9090 0.0000 . 2 . . . . A 46 TRP HB2 . 30798 1 400 . 1 . 1 53 53 TRP HD1 H 1 7.3570 0.0000 . 1 . . . . A 46 TRP HD1 . 30798 1 401 . 1 . 1 53 53 TRP HE1 H 1 9.4820 0.0000 . 1 . . . . A 46 TRP HE1 . 30798 1 402 . 1 . 1 53 53 TRP HZ3 H 1 7.1690 0.0000 . 1 . . . . A 46 TRP HZ3 . 30798 1 403 . 1 . 1 53 53 TRP H H 1 8.3560 0.0000 . 1 . . 143602 . A 46 TRP HN . 30798 1 404 . 1 . 1 53 53 TRP CA C 13 62.1870 0.0000 . 1 . . 143609 . A 46 TRP CA . 30798 1 405 . 1 . 1 53 53 TRP CB C 13 29.8980 0.0000 . 1 . . 143615 . A 46 TRP CB . 30798 1 406 . 1 . 1 53 53 TRP N N 15 124.5330 0.0000 . 1 . . 143604 . A 46 TRP N . 30798 1 407 . 1 . 1 53 53 TRP NE1 N 15 129.9380 0.0000 . 1 . . . . A 46 TRP NE1 . 30798 1 408 . 1 . 1 54 54 ASN HA H 1 4.5710 0.0000 . 1 . . . . A 47 ASN HA . 30798 1 409 . 1 . 1 54 54 ASN HB2 H 1 3.0810 0.0000 . 2 . . . . A 47 ASN HB1 . 30798 1 410 . 1 . 1 54 54 ASN HB3 H 1 2.8480 0.0000 . 2 . . . . A 47 ASN HB2 . 30798 1 411 . 1 . 1 54 54 ASN HD21 H 1 6.4430 0.0000 . 2 . . . . A 47 ASN HD21 . 30798 1 412 . 1 . 1 54 54 ASN HD22 H 1 7.4880 0.0000 . 2 . . . . A 47 ASN HD22 . 30798 1 413 . 1 . 1 54 54 ASN H H 1 9.0390 0.0000 . 1 . . 143182 . A 47 ASN HN . 30798 1 414 . 1 . 1 54 54 ASN CA C 13 54.1680 0.0000 . 1 . . 142879 . A 47 ASN CA . 30798 1 415 . 1 . 1 54 54 ASN CB C 13 37.5640 0.0000 . 1 . . 142876 . A 47 ASN CB . 30798 1 416 . 1 . 1 54 54 ASN N N 15 120.4410 0.0000 . 1 . . 143184 . A 47 ASN N . 30798 1 417 . 1 . 1 54 54 ASN ND2 N 15 110.6390 0.0000 . 1 . . . . A 47 ASN ND2 . 30798 1 418 . 1 . 1 55 55 GLU HA H 1 4.5330 0.0000 . 1 . . . . A 48 GLU HA . 30798 1 419 . 1 . 1 55 55 GLU HB2 H 1 1.6320 0.0000 . 2 . . . . A 48 GLU HB1 . 30798 1 420 . 1 . 1 55 55 GLU HB3 H 1 1.7050 0.0000 . 2 . . . . A 48 GLU HB2 . 30798 1 421 . 1 . 1 55 55 GLU HG2 H 1 2.2320 0.0000 . 2 . . . . A 48 GLU HG1 . 30798 1 422 . 1 . 1 55 55 GLU HG3 H 1 2.0290 0.0000 . 2 . . . . A 48 GLU HG2 . 30798 1 423 . 1 . 1 55 55 GLU H H 1 7.9540 0.0000 . 1 . . 137649 . A 48 GLU HN . 30798 1 424 . 1 . 1 55 55 GLU CA C 13 55.6100 0.0000 . 1 . . 138625 . A 48 GLU CA . 30798 1 425 . 1 . 1 55 55 GLU CB C 13 35.3620 0.0000 . 1 . . 138688 . A 48 GLU CB . 30798 1 426 . 1 . 1 55 55 GLU CG C 13 37.4240 0.0000 . 1 . . . . A 48 GLU CG . 30798 1 427 . 1 . 1 55 55 GLU N N 15 117.9860 0.0000 . 1 . . 137651 . A 48 GLU N . 30798 1 428 . 1 . 1 56 56 GLY HA2 H 1 3.4800 0.0000 . 2 . . . . A 49 GLY HA1 . 30798 1 429 . 1 . 1 56 56 GLY HA3 H 1 4.9160 0.0000 . 2 . . . . A 49 GLY HA2 . 30798 1 430 . 1 . 1 56 56 GLY H H 1 8.4260 0.0000 . 1 . . 147847 . A 49 GLY HN . 30798 1 431 . 1 . 1 56 56 GLY CA C 13 43.9920 0.0000 . 1 . . 147863 . A 49 GLY CA . 30798 1 432 . 1 . 1 56 56 GLY N N 15 109.5830 0.0000 . 1 . . 147849 . A 49 GLY N . 30798 1 433 . 1 . 1 57 57 PHE HA H 1 4.8710 0.0000 . 1 . . . . A 50 PHE HA . 30798 1 434 . 1 . 1 57 57 PHE HB2 H 1 2.5630 0.0000 . 2 . . . . A 50 PHE HB1 . 30798 1 435 . 1 . 1 57 57 PHE HB3 H 1 2.4680 0.0000 . 2 . . . . A 50 PHE HB2 . 30798 1 436 . 1 . 1 57 57 PHE HD1 H 1 6.9160 0.0000 . 3 . . . . A 50 PHE HD1 . 30798 1 437 . 1 . 1 57 57 PHE HE1 H 1 7.0170 0.0000 . 3 . . . . A 50 PHE HE1 . 30798 1 438 . 1 . 1 57 57 PHE H H 1 8.8730 0.0000 . 1 . . 142655 . A 50 PHE HN . 30798 1 439 . 1 . 1 57 57 PHE CA C 13 54.0750 0.0000 . 1 . . . . A 50 PHE CA . 30798 1 440 . 1 . 1 57 57 PHE CB C 13 44.0630 0.0000 . 1 . . 142665 . A 50 PHE CB . 30798 1 441 . 1 . 1 57 57 PHE N N 15 118.6200 0.0000 . 1 . . 142657 . A 50 PHE N . 30798 1 442 . 1 . 1 58 58 GLU HA H 1 5.5350 0.0000 . 1 . . . . A 51 GLU HA . 30798 1 443 . 1 . 1 58 58 GLU HB2 H 1 2.0230 0.0000 . 2 . . . . A 51 GLU HB1 . 30798 1 444 . 1 . 1 58 58 GLU HB3 H 1 1.8960 0.0000 . 2 . . . . A 51 GLU HB2 . 30798 1 445 . 1 . 1 58 58 GLU HG2 H 1 2.1560 0.0000 . 2 . . . . A 51 GLU HG1 . 30798 1 446 . 1 . 1 58 58 GLU H H 1 8.2920 0.0000 . 1 . . 147163 . A 51 GLU HN . 30798 1 447 . 1 . 1 58 58 GLU CA C 13 54.8880 0.0000 . 1 . . 137410 . A 51 GLU CA . 30798 1 448 . 1 . 1 58 58 GLU CB C 13 33.3780 0.0000 . 1 . . 142099 . A 51 GLU CB . 30798 1 449 . 1 . 1 58 58 GLU CG C 13 36.2980 0.0000 . 1 . . . . A 51 GLU CG . 30798 1 450 . 1 . 1 58 58 GLU N N 15 119.0320 0.0000 . 1 . . 147165 . A 51 GLU N . 30798 1 451 . 1 . 1 59 59 TRP HA H 1 4.8120 0.0000 . 1 . . . . A 52 TRP HA . 30798 1 452 . 1 . 1 59 59 TRP HB2 H 1 3.1780 0.0000 . 2 . . . . A 52 TRP HB1 . 30798 1 453 . 1 . 1 59 59 TRP HD1 H 1 7.3992 0.0000 . 1 . . . . A 52 TRP HD1 . 30798 1 454 . 1 . 1 59 59 TRP HE1 H 1 10.0020 0.0000 . 1 . . . . A 52 TRP HE1 . 30798 1 455 . 1 . 1 59 59 TRP HE3 H 1 7.5461 0.0000 . 1 . . . . A 52 TRP HE3 . 30798 1 456 . 1 . 1 59 59 TRP HZ2 H 1 7.2076 0.0000 . 1 . . . . A 52 TRP HZ2 . 30798 1 457 . 1 . 1 59 59 TRP HZ3 H 1 6.7300 0.0000 . 1 . . . . A 52 TRP HZ3 . 30798 1 458 . 1 . 1 59 59 TRP HH2 H 1 6.6203 0.0000 . 1 . . . . A 52 TRP HH2 . 30798 1 459 . 1 . 1 59 59 TRP H H 1 9.5580 0.0000 . 1 . . 137451 . A 52 TRP HN . 30798 1 460 . 1 . 1 59 59 TRP CA C 13 58.7180 0.0000 . 1 . . 138169 . A 52 TRP CA . 30798 1 461 . 1 . 1 59 59 TRP CB C 13 32.9900 0.0000 . 1 . . 138280 . A 52 TRP CB . 30798 1 462 . 1 . 1 59 59 TRP N N 15 123.3050 0.0000 . 1 . . 137453 . A 52 TRP N . 30798 1 463 . 1 . 1 59 59 TRP NE1 N 15 128.7360 0.0000 . 1 . . . . A 52 TRP NE1 . 30798 1 464 . 1 . 1 60 60 ASP HA H 1 5.0790 0.0000 . 1 . . . . A 53 ASP HA . 30798 1 465 . 1 . 1 60 60 ASP HB2 H 1 2.9110 0.0000 . 2 . . . . A 53 ASP HB1 . 30798 1 466 . 1 . 1 60 60 ASP HB3 H 1 2.7030 0.0000 . 2 . . . . A 53 ASP HB2 . 30798 1 467 . 1 . 1 60 60 ASP H H 1 8.5750 0.0000 . 1 . . . . A 53 ASP HN . 30798 1 468 . 1 . 1 60 60 ASP CA C 13 53.9170 0.0000 . 1 . . . . A 53 ASP CA . 30798 1 469 . 1 . 1 60 60 ASP CB C 13 41.7810 0.0000 . 1 . . . . A 53 ASP CB . 30798 1 470 . 1 . 1 60 60 ASP N N 15 123.4480 0.0000 . 1 . . . . A 53 ASP N . 30798 1 471 . 1 . 1 61 61 LEU HA H 1 4.5290 0.0000 . 1 . . . . A 54 LEU HA . 30798 1 472 . 1 . 1 61 61 LEU HB2 H 1 2.2020 0.0000 . 2 . . . . A 54 LEU HB1 . 30798 1 473 . 1 . 1 61 61 LEU HB3 H 1 1.6880 0.0000 . 2 . . . . A 54 LEU HB2 . 30798 1 474 . 1 . 1 61 61 LEU HG H 1 1.7360 0.0000 . 1 . . . . A 54 LEU HG . 30798 1 475 . 1 . 1 61 61 LEU HD11 H 1 0.9360 0.0000 . 2 . . . . A 54 LEU HD11 . 30798 1 476 . 1 . 1 61 61 LEU HD12 H 1 0.9360 0.0000 . 2 . . . . A 54 LEU HD12 . 30798 1 477 . 1 . 1 61 61 LEU HD13 H 1 0.9360 0.0000 . 2 . . . . A 54 LEU HD13 . 30798 1 478 . 1 . 1 61 61 LEU HD21 H 1 0.9980 0.0000 . 2 . . . . A 54 LEU HD21 . 30798 1 479 . 1 . 1 61 61 LEU HD22 H 1 0.9980 0.0000 . 2 . . . . A 54 LEU HD22 . 30798 1 480 . 1 . 1 61 61 LEU HD23 H 1 0.9980 0.0000 . 2 . . . . A 54 LEU HD23 . 30798 1 481 . 1 . 1 61 61 LEU H H 1 8.4490 0.0000 . 1 . . . . A 54 LEU HN . 30798 1 482 . 1 . 1 61 61 LEU CA C 13 55.1000 0.0000 . 1 . . 138097 . A 54 LEU CA . 30798 1 483 . 1 . 1 61 61 LEU CB C 13 40.2220 0.0000 . 1 . . 138574 . A 54 LEU CB . 30798 1 484 . 1 . 1 61 61 LEU CG C 13 27.2380 0.0000 . 1 . . . . A 54 LEU CG . 30798 1 485 . 1 . 1 61 61 LEU CD1 C 13 23.2840 0.0000 . 2 . . . . A 54 LEU CD1 . 30798 1 486 . 1 . 1 61 61 LEU CD2 C 13 27.1350 0.0000 . 2 . . . . A 54 LEU CD2 . 30798 1 487 . 1 . 1 61 61 LEU N N 15 126.3740 0.0000 . 1 . . . . A 54 LEU N . 30798 1 488 . 1 . 1 62 62 LYS HA H 1 4.0440 0.0000 . 1 . . . . A 55 LYS HA . 30798 1 489 . 1 . 1 62 62 LYS HB2 H 1 1.9130 0.0000 . 2 . . . . A 55 LYS HB1 . 30798 1 490 . 1 . 1 62 62 LYS HB3 H 1 2.0230 0.0000 . 2 . . . . A 55 LYS HB2 . 30798 1 491 . 1 . 1 62 62 LYS HG2 H 1 1.3710 0.0000 . 2 . . . . A 55 LYS HG1 . 30798 1 492 . 1 . 1 62 62 LYS HG3 H 1 1.4550 0.0000 . 2 . . . . A 55 LYS HG2 . 30798 1 493 . 1 . 1 62 62 LYS HD2 H 1 1.7270 0.0000 . 2 . . . . A 55 LYS HD1 . 30798 1 494 . 1 . 1 62 62 LYS HE3 H 1 3.0450 0.0000 . 2 . . . . A 55 LYS HE2 . 30798 1 495 . 1 . 1 62 62 LYS H H 1 8.9090 0.0000 . 1 . . 137604 . A 55 LYS HN . 30798 1 496 . 1 . 1 62 62 LYS CA C 13 57.8570 0.0000 . 1 . . 139729 . A 55 LYS CA . 30798 1 497 . 1 . 1 62 62 LYS CB C 13 30.5200 0.0000 . 1 . . 138595 . A 55 LYS CB . 30798 1 498 . 1 . 1 62 62 LYS CG C 13 24.8340 0.0000 . 1 . . . . A 55 LYS CG . 30798 1 499 . 1 . 1 62 62 LYS CD C 13 29.0690 0.0000 . 1 . . . . A 55 LYS CD . 30798 1 500 . 1 . 1 62 62 LYS CE C 13 41.9580 0.0000 . 1 . . . . A 55 LYS CE . 30798 1 501 . 1 . 1 62 62 LYS N N 15 119.3830 0.0000 . 1 . . 137606 . A 55 LYS N . 30798 1 502 . 1 . 1 63 63 GLY HA2 H 1 4.1330 0.0000 . 2 . . . . A 56 GLY HA1 . 30798 1 503 . 1 . 1 63 63 GLY HA3 H 1 3.6170 0.0000 . 2 . . . . A 56 GLY HA2 . 30798 1 504 . 1 . 1 63 63 GLY H H 1 8.9800 0.0000 . 1 . . 139020 . A 56 GLY HN . 30798 1 505 . 1 . 1 63 63 GLY CA C 13 45.5810 0.0000 . 1 . . 139003 . A 56 GLY CA . 30798 1 506 . 1 . 1 63 63 GLY N N 15 108.3360 0.0000 . 1 . . 139022 . A 56 GLY N . 30798 1 507 . 1 . 1 64 64 ILE HA H 1 4.5680 0.0000 . 1 . . . . A 57 ILE HA . 30798 1 508 . 1 . 1 64 64 ILE HB H 1 2.0400 0.0000 . 1 . . . . A 57 ILE HB . 30798 1 509 . 1 . 1 64 64 ILE HG12 H 1 1.1810 0.0000 . 2 . . . . A 57 ILE HG11 . 30798 1 510 . 1 . 1 64 64 ILE HG13 H 1 1.5100 0.0000 . 2 . . . . A 57 ILE HG12 . 30798 1 511 . 1 . 1 64 64 ILE HG21 H 1 0.9460 0.0000 . 1 . . . . A 57 ILE HG21 . 30798 1 512 . 1 . 1 64 64 ILE HG22 H 1 0.9460 0.0000 . 1 . . . . A 57 ILE HG22 . 30798 1 513 . 1 . 1 64 64 ILE HG23 H 1 0.9460 0.0000 . 1 . . . . A 57 ILE HG23 . 30798 1 514 . 1 . 1 64 64 ILE HD11 H 1 0.8880 0.0000 . 1 . . . . A 57 ILE HD11 . 30798 1 515 . 1 . 1 64 64 ILE HD12 H 1 0.8880 0.0000 . 1 . . . . A 57 ILE HD12 . 30798 1 516 . 1 . 1 64 64 ILE HD13 H 1 0.8880 0.0000 . 1 . . . . A 57 ILE HD13 . 30798 1 517 . 1 . 1 64 64 ILE H H 1 7.7810 0.0000 . 1 . . 139929 . A 57 ILE HN . 30798 1 518 . 1 . 1 64 64 ILE CA C 13 57.6320 0.0000 . 1 . . 138376 . A 57 ILE CA . 30798 1 519 . 1 . 1 64 64 ILE CB C 13 38.4660 0.0000 . 1 . . 138439 . A 57 ILE CB . 30798 1 520 . 1 . 1 64 64 ILE CG1 C 13 26.9120 0.0000 . 1 . . . . A 57 ILE CG1 . 30798 1 521 . 1 . 1 64 64 ILE CG2 C 13 17.0480 0.0000 . 1 . . . . A 57 ILE CG2 . 30798 1 522 . 1 . 1 64 64 ILE CD1 C 13 12.2310 0.0000 . 1 . . . . A 57 ILE CD1 . 30798 1 523 . 1 . 1 64 64 ILE N N 15 122.9540 0.0000 . 1 . . 139931 . A 57 ILE N . 30798 1 524 . 1 . 1 65 65 PRO HA H 1 4.4370 0.0000 . 1 . . . . A 58 PRO HA . 30798 1 525 . 1 . 1 65 65 PRO HB2 H 1 2.2940 0.0000 . 2 . . . . A 58 PRO HB1 . 30798 1 526 . 1 . 1 65 65 PRO HB3 H 1 1.9550 0.0000 . 2 . . . . A 58 PRO HB2 . 30798 1 527 . 1 . 1 65 65 PRO HG2 H 1 2.0190 0.0000 . 2 . . . . A 58 PRO HG1 . 30798 1 528 . 1 . 1 65 65 PRO HG3 H 1 2.1910 0.0000 . 2 . . . . A 58 PRO HG2 . 30798 1 529 . 1 . 1 65 65 PRO HD2 H 1 3.9170 0.0000 . 2 . . . . A 58 PRO HD1 . 30798 1 530 . 1 . 1 65 65 PRO HD3 H 1 3.7340 0.0000 . 2 . . . . A 58 PRO HD2 . 30798 1 531 . 1 . 1 65 65 PRO CA C 13 62.6960 0.0000 . 1 . . . . A 58 PRO CA . 30798 1 532 . 1 . 1 65 65 PRO CB C 13 32.0670 0.0000 . 1 . . . . A 58 PRO CB . 30798 1 533 . 1 . 1 65 65 PRO CG C 13 27.6200 0.0000 . 1 . . . . A 58 PRO CG . 30798 1 534 . 1 . 1 65 65 PRO CD C 13 50.8210 0.0000 . 1 . . . . A 58 PRO CD . 30798 1 535 . 1 . 1 66 66 LEU HA H 1 4.2740 0.0000 . 1 . . . . A 59 LEU HA . 30798 1 536 . 1 . 1 66 66 LEU HB2 H 1 1.1490 0.0000 . 2 . . . . A 59 LEU HB1 . 30798 1 537 . 1 . 1 66 66 LEU HB3 H 1 1.0270 0.0000 . 2 . . . . A 59 LEU HB2 . 30798 1 538 . 1 . 1 66 66 LEU HG H 1 1.1450 0.0000 . 1 . . . . A 59 LEU HG . 30798 1 539 . 1 . 1 66 66 LEU HD11 H 1 0.3960 0.0000 . 2 . . . . A 59 LEU HD11 . 30798 1 540 . 1 . 1 66 66 LEU HD12 H 1 0.3960 0.0000 . 2 . . . . A 59 LEU HD12 . 30798 1 541 . 1 . 1 66 66 LEU HD13 H 1 0.3960 0.0000 . 2 . . . . A 59 LEU HD13 . 30798 1 542 . 1 . 1 66 66 LEU HD21 H 1 0.4810 0.0000 . 2 . . . . A 59 LEU HD21 . 30798 1 543 . 1 . 1 66 66 LEU HD22 H 1 0.4810 0.0000 . 2 . . . . A 59 LEU HD22 . 30798 1 544 . 1 . 1 66 66 LEU HD23 H 1 0.4810 0.0000 . 2 . . . . A 59 LEU HD23 . 30798 1 545 . 1 . 1 66 66 LEU H H 1 7.2340 0.0000 . 1 . . . . A 59 LEU HN . 30798 1 546 . 1 . 1 66 66 LEU CA C 13 54.5540 0.0000 . 1 . . 137506 . A 59 LEU CA . 30798 1 547 . 1 . 1 66 66 LEU CB C 13 43.0060 0.0000 . 1 . . 137524 . A 59 LEU CB . 30798 1 548 . 1 . 1 66 66 LEU CG C 13 27.2140 0.0000 . 1 . . . . A 59 LEU CG . 30798 1 549 . 1 . 1 66 66 LEU CD1 C 13 24.9800 0.0000 . 2 . . . . A 59 LEU CD1 . 30798 1 550 . 1 . 1 66 66 LEU CD2 C 13 24.2870 0.0000 . 2 . . . . A 59 LEU CD2 . 30798 1 551 . 1 . 1 66 66 LEU N N 15 120.6590 0.0000 . 1 . . . . A 59 LEU N . 30798 1 552 . 1 . 1 67 67 ASP HA H 1 4.6430 0.0000 . 1 . . . . A 60 ASP HA . 30798 1 553 . 1 . 1 67 67 ASP HB2 H 1 2.6190 0.0000 . 2 . . . . A 60 ASP HB1 . 30798 1 554 . 1 . 1 67 67 ASP HB3 H 1 2.8910 0.0000 . 2 . . . . A 60 ASP HB2 . 30798 1 555 . 1 . 1 67 67 ASP H H 1 8.6220 0.0000 . 1 . . 138393 . A 60 ASP HN . 30798 1 556 . 1 . 1 67 67 ASP CA C 13 53.0630 0.0000 . 1 . . 138400 . A 60 ASP CA . 30798 1 557 . 1 . 1 67 67 ASP CB C 13 42.9820 0.0000 . 1 . . 138424 . A 60 ASP CB . 30798 1 558 . 1 . 1 67 67 ASP N N 15 122.4660 0.0000 . 1 . . 138395 . A 60 ASP N . 30798 1 559 . 1 . 1 68 68 GLN HA H 1 3.8630 0.0000 . 1 . . . . A 61 GLN HA . 30798 1 560 . 1 . 1 68 68 GLN HB2 H 1 2.1140 0.0000 . 2 . . . . A 61 GLN HB1 . 30798 1 561 . 1 . 1 68 68 GLN HB3 H 1 2.4230 0.0000 . 2 . . . . A 61 GLN HB2 . 30798 1 562 . 1 . 1 68 68 GLN HG3 H 1 2.4170 0.0000 . 2 . . . . A 61 GLN HG2 . 30798 1 563 . 1 . 1 68 68 GLN HE21 H 1 7.5880 0.0000 . 2 . . . . A 61 GLN HE21 . 30798 1 564 . 1 . 1 68 68 GLN HE22 H 1 6.9010 0.0000 . 2 . . . . A 61 GLN HE22 . 30798 1 565 . 1 . 1 68 68 GLN H H 1 8.5600 0.0000 . 1 . . 137658 . A 61 GLN HN . 30798 1 566 . 1 . 1 68 68 GLN CA C 13 58.3920 0.0000 . 1 . . 138988 . A 61 GLN CA . 30798 1 567 . 1 . 1 68 68 GLN CB C 13 27.4800 0.0000 . 1 . . 138709 . A 61 GLN CB . 30798 1 568 . 1 . 1 68 68 GLN CG C 13 33.6950 0.0000 . 1 . . . . A 61 GLN CG . 30798 1 569 . 1 . 1 68 68 GLN N N 15 118.5220 0.0000 . 1 . . 137660 . A 61 GLN N . 30798 1 570 . 1 . 1 68 68 GLN NE2 N 15 112.3930 0.0000 . 1 . . . . A 61 GLN NE2 . 30798 1 571 . 1 . 1 69 69 GLY HA2 H 1 4.2830 0.0000 . 2 . . . . A 62 GLY HA1 . 30798 1 572 . 1 . 1 69 69 GLY HA3 H 1 3.6680 0.0000 . 2 . . . . A 62 GLY HA2 . 30798 1 573 . 1 . 1 69 69 GLY H H 1 8.8630 0.0000 . 1 . . 140148 . A 62 GLY HN . 30798 1 574 . 1 . 1 69 69 GLY CA C 13 44.7030 0.0000 . 1 . . 139006 . A 62 GLY CA . 30798 1 575 . 1 . 1 69 69 GLY N N 15 107.8920 0.0000 . 1 . . 140150 . A 62 GLY N . 30798 1 576 . 1 . 1 70 70 SER HA H 1 4.4110 0.0000 . 1 . . . . A 63 SER HA . 30798 1 577 . 1 . 1 70 70 SER HB2 H 1 3.9710 0.0000 . 2 . . . . A 63 SER HB1 . 30798 1 578 . 1 . 1 70 70 SER H H 1 7.7190 0.0000 . 1 . . 145230 . A 63 SER HN . 30798 1 579 . 1 . 1 70 70 SER CA C 13 60.3290 0.0000 . 1 . . 139504 . A 63 SER CA . 30798 1 580 . 1 . 1 70 70 SER CB C 13 64.4500 0.0000 . 1 . . 145240 . A 63 SER CB . 30798 1 581 . 1 . 1 70 70 SER N N 15 117.4710 0.0000 . 1 . . 145232 . A 63 SER N . 30798 1 582 . 1 . 1 71 71 GLU HA H 1 4.9940 0.0000 . 1 . . . . A 64 GLU HA . 30798 1 583 . 1 . 1 71 71 GLU HB2 H 1 1.6820 0.0000 . 2 . . . . A 64 GLU HB1 . 30798 1 584 . 1 . 1 71 71 GLU HB3 H 1 1.7830 0.0000 . 2 . . . . A 64 GLU HB2 . 30798 1 585 . 1 . 1 71 71 GLU HG3 H 1 1.9670 0.0000 . 2 . . . . A 64 GLU HG2 . 30798 1 586 . 1 . 1 71 71 GLU H H 1 8.8840 0.0000 . 1 . . 137475 . A 64 GLU HN . 30798 1 587 . 1 . 1 71 71 GLU CA C 13 54.9850 0.0000 . 1 . . 140568 . A 64 GLU CA . 30798 1 588 . 1 . 1 71 71 GLU CB C 13 34.0210 0.0000 . 1 . . 142091 . A 64 GLU CB . 30798 1 589 . 1 . 1 71 71 GLU CG C 13 36.0030 0.0000 . 1 . . . . A 64 GLU CG . 30798 1 590 . 1 . 1 71 71 GLU N N 15 122.7260 0.0000 . 1 . . 137477 . A 64 GLU N . 30798 1 591 . 1 . 1 72 72 LEU HA H 1 4.7200 0.0000 . 1 . . . . A 65 LEU HA . 30798 1 592 . 1 . 1 72 72 LEU HB2 H 1 1.0470 0.0000 . 2 . . . . A 65 LEU HB1 . 30798 1 593 . 1 . 1 72 72 LEU HB3 H 1 1.5800 0.0000 . 2 . . . . A 65 LEU HB2 . 30798 1 594 . 1 . 1 72 72 LEU HG H 1 1.2630 0.0000 . 1 . . . . A 65 LEU HG . 30798 1 595 . 1 . 1 72 72 LEU HD11 H 1 0.5300 0.0000 . 2 . . . . A 65 LEU HD11 . 30798 1 596 . 1 . 1 72 72 LEU HD12 H 1 0.5300 0.0000 . 2 . . . . A 65 LEU HD12 . 30798 1 597 . 1 . 1 72 72 LEU HD13 H 1 0.5300 0.0000 . 2 . . . . A 65 LEU HD13 . 30798 1 598 . 1 . 1 72 72 LEU HD21 H 1 0.5240 0.0000 . 2 . . . . A 65 LEU HD21 . 30798 1 599 . 1 . 1 72 72 LEU HD22 H 1 0.5240 0.0000 . 2 . . . . A 65 LEU HD22 . 30798 1 600 . 1 . 1 72 72 LEU HD23 H 1 0.5240 0.0000 . 2 . . . . A 65 LEU HD23 . 30798 1 601 . 1 . 1 72 72 LEU H H 1 8.4000 0.0000 . 1 . . 138402 . A 65 LEU HN . 30798 1 602 . 1 . 1 72 72 LEU CA C 13 27.4565 0.0000 . 1 . . 138409 . A 65 LEU CA . 30798 1 603 . 1 . 1 72 72 LEU CB C 13 45.7750 0.0000 . 1 . . 140472 . A 65 LEU CB . 30798 1 604 . 1 . 1 72 72 LEU CG C 13 27.0590 0.0000 . 1 . . . . A 65 LEU CG . 30798 1 605 . 1 . 1 72 72 LEU CD1 C 13 24.2400 0.0000 . 2 . . . . A 65 LEU CD1 . 30798 1 606 . 1 . 1 72 72 LEU CD2 C 13 27.2570 0.0000 . 2 . . . . A 65 LEU CD2 . 30798 1 607 . 1 . 1 72 72 LEU N N 15 122.9900 0.0000 . 1 . . 138404 . A 65 LEU N . 30798 1 608 . 1 . 1 73 73 HIS HA H 1 5.3690 0.0000 . 1 . . . . A 66 HIS HA . 30798 1 609 . 1 . 1 73 73 HIS HB2 H 1 3.0700 0.0000 . 2 . . . . A 66 HIS HB1 . 30798 1 610 . 1 . 1 73 73 HIS HB3 H 1 3.1800 0.0000 . 2 . . . . A 66 HIS HB2 . 30798 1 611 . 1 . 1 73 73 HIS HD2 H 1 6.9200 0.0000 . 1 . . . . A 66 HIS HD2 . 30798 1 612 . 1 . 1 73 73 HIS H H 1 8.5150 0.0000 . 1 . . 156875 . A 66 HIS HN . 30798 1 613 . 1 . 1 73 73 HIS CB C 13 33.0000 0.0000 . 1 . . 156882 . A 66 HIS CB . 30798 1 614 . 1 . 1 73 73 HIS N N 15 125.8480 0.0000 . 1 . . 156877 . A 66 HIS N . 30798 1 615 . 1 . 1 74 74 VAL HA H 1 5.0510 0.0000 . 1 . . . . A 67 VAL HA . 30798 1 616 . 1 . 1 74 74 VAL HB H 1 1.6720 0.0000 . 1 . . . . A 67 VAL HB . 30798 1 617 . 1 . 1 74 74 VAL HG11 H 1 0.6890 0.0000 . 2 . . . . A 67 VAL HG11 . 30798 1 618 . 1 . 1 74 74 VAL HG12 H 1 0.6890 0.0000 . 2 . . . . A 67 VAL HG12 . 30798 1 619 . 1 . 1 74 74 VAL HG13 H 1 0.6890 0.0000 . 2 . . . . A 67 VAL HG13 . 30798 1 620 . 1 . 1 74 74 VAL HG21 H 1 0.6240 0.0000 . 2 . . . . A 67 VAL HG21 . 30798 1 621 . 1 . 1 74 74 VAL HG22 H 1 0.6240 0.0000 . 2 . . . . A 67 VAL HG22 . 30798 1 622 . 1 . 1 74 74 VAL HG23 H 1 0.6240 0.0000 . 2 . . . . A 67 VAL HG23 . 30798 1 623 . 1 . 1 74 74 VAL H H 1 9.0400 0.0000 . 1 . . . . A 67 VAL HN . 30798 1 624 . 1 . 1 74 74 VAL CB C 13 34.4270 0.0000 . 1 . . . . A 67 VAL CB . 30798 1 625 . 1 . 1 74 74 VAL CG1 C 13 19.9110 0.0000 . 2 . . . . A 67 VAL CG1 . 30798 1 626 . 1 . 1 74 74 VAL N N 15 123.0200 0.0000 . 1 . . . . A 67 VAL N . 30798 1 627 . 1 . 1 75 75 VAL HA H 1 4.4650 0.0000 . 1 . . . . A 68 VAL HA . 30798 1 628 . 1 . 1 75 75 VAL HB H 1 1.8490 0.0000 . 1 . . . . A 68 VAL HB . 30798 1 629 . 1 . 1 75 75 VAL HG11 H 1 0.9440 0.0000 . 2 . . . . A 68 VAL HG11 . 30798 1 630 . 1 . 1 75 75 VAL HG12 H 1 0.9440 0.0000 . 2 . . . . A 68 VAL HG12 . 30798 1 631 . 1 . 1 75 75 VAL HG13 H 1 0.9440 0.0000 . 2 . . . . A 68 VAL HG13 . 30798 1 632 . 1 . 1 75 75 VAL HG21 H 1 1.1600 0.0000 . 2 . . . . A 68 VAL HG21 . 30798 1 633 . 1 . 1 75 75 VAL HG22 H 1 1.1600 0.0000 . 2 . . . . A 68 VAL HG22 . 30798 1 634 . 1 . 1 75 75 VAL HG23 H 1 1.1600 0.0000 . 2 . . . . A 68 VAL HG23 . 30798 1 635 . 1 . 1 75 75 VAL H H 1 8.9400 0.0000 . 1 . . . . A 68 VAL HN . 30798 1 636 . 1 . 1 75 75 VAL CB C 13 35.3700 0.0000 . 1 . . . . A 68 VAL CB . 30798 1 637 . 1 . 1 75 75 VAL CG1 C 13 21.9610 0.0000 . 2 . . . . A 68 VAL CG1 . 30798 1 638 . 1 . 1 75 75 VAL N N 15 124.7070 0.0000 . 1 . . . . A 68 VAL N . 30798 1 639 . 1 . 1 76 76 VAL HG21 H 1 0.7420 0.0000 . 2 . . . . A 69 VAL HG21 . 30798 1 640 . 1 . 1 76 76 VAL HG22 H 1 0.7420 0.0000 . 2 . . . . A 69 VAL HG22 . 30798 1 641 . 1 . 1 76 76 VAL HG23 H 1 0.7420 0.0000 . 2 . . . . A 69 VAL HG23 . 30798 1 642 . 1 . 1 76 76 VAL CG2 C 13 23.0530 0.0000 . 2 . . . . A 69 VAL CG2 . 30798 1 643 . 1 . 1 77 77 LYS HA H 1 4.7837 0.0000 . 1 . . . . A 70 LYS HA . 30798 1 644 . 1 . 1 77 77 LYS H H 1 8.3500 0.0000 . 1 . . . . A 70 LYS HN . 30798 1 645 . 1 . 1 77 77 LYS N N 15 126.2156 0.0000 . 1 . . . . A 70 LYS N . 30798 1 646 . 1 . 1 79 79 HIS HA H 1 5.4230 0.0000 . 1 . . . . A 72 HIS HA . 30798 1 647 . 1 . 1 79 79 HIS HB2 H 1 3.2160 0.0000 . 2 . . . . A 72 HIS HB1 . 30798 1 648 . 1 . 1 79 79 HIS HB3 H 1 3.0090 0.0000 . 2 . . . . A 72 HIS HB2 . 30798 1 649 . 1 . 1 79 79 HIS CA C 13 53.9700 0.0000 . 1 . . . . A 72 HIS CA . 30798 1 650 . 1 . 1 79 79 HIS CB C 13 32.5460 0.0000 . 1 . . . . A 72 HIS CB . 30798 1 651 . 1 . 1 81 81 THR HB H 1 4.2260 0.0000 . 1 . . . . A 74 THR HB . 30798 1 652 . 1 . 1 81 81 THR HG21 H 1 1.2230 0.0000 . 1 . . . . A 74 THR HG21 . 30798 1 653 . 1 . 1 81 81 THR HG22 H 1 1.2230 0.0000 . 1 . . . . A 74 THR HG22 . 30798 1 654 . 1 . 1 81 81 THR HG23 H 1 1.2230 0.0000 . 1 . . . . A 74 THR HG23 . 30798 1 655 . 1 . 1 81 81 THR CB C 13 69.7800 0.0000 . 1 . . . . A 74 THR CB . 30798 1 656 . 1 . 1 81 81 THR CG2 C 13 21.5620 0.0000 . 1 . . . . A 74 THR CG2 . 30798 1 657 . 1 . 1 82 82 MET HA H 1 4.3780 0.0000 . 1 . . . . A 75 MET HA . 30798 1 658 . 1 . 1 82 82 MET HB2 H 1 2.0910 0.0000 . 2 . . . . A 75 MET HB1 . 30798 1 659 . 1 . 1 82 82 MET HB3 H 1 2.2000 0.0000 . 2 . . . . A 75 MET HB2 . 30798 1 660 . 1 . 1 82 82 MET HG2 H 1 2.6120 0.0000 . 2 . . . . A 75 MET HG1 . 30798 1 661 . 1 . 1 82 82 MET HG3 H 1 2.5470 0.0000 . 2 . . . . A 75 MET HG2 . 30798 1 662 . 1 . 1 82 82 MET HE1 H 1 2.0610 0.0000 . 1 . . . . A 75 MET HE1 . 30798 1 663 . 1 . 1 82 82 MET HE2 H 1 2.0610 0.0000 . 1 . . . . A 75 MET HE2 . 30798 1 664 . 1 . 1 82 82 MET HE3 H 1 2.0610 0.0000 . 1 . . . . A 75 MET HE3 . 30798 1 665 . 1 . 1 82 82 MET CA C 13 56.0540 0.0000 . 1 . . . . A 75 MET CA . 30798 1 666 . 1 . 1 82 82 MET CB C 13 31.9150 0.0000 . 1 . . . . A 75 MET CB . 30798 1 667 . 1 . 1 82 82 MET CG C 13 32.2980 0.0000 . 1 . . . . A 75 MET CG . 30798 1 668 . 1 . 1 82 82 MET CE C 13 16.7590 0.0000 . 1 . . . . A 75 MET CE . 30798 1 669 . 1 . 1 83 83 GLY HA2 H 1 3.8890 0.0000 . 2 . . . . A 76 GLY HA1 . 30798 1 670 . 1 . 1 83 83 GLY HA3 H 1 4.0200 0.0000 . 2 . . . . A 76 GLY HA2 . 30798 1 671 . 1 . 1 83 83 GLY H H 1 8.3450 0.0000 . 1 . . . . A 76 GLY HN . 30798 1 672 . 1 . 1 83 83 GLY CA C 13 45.3670 0.0000 . 1 . . . . A 76 GLY CA . 30798 1 673 . 1 . 1 83 83 GLY N N 15 108.2630 0.0000 . 1 . . . . A 76 GLY N . 30798 1 674 . 1 . 1 84 84 ARG HD3 H 1 3.2020 0.0000 . 2 . . . . A 77 ARG HD2 . 30798 1 675 . 1 . 1 84 84 ARG CD C 13 43.4000 0.0000 . 1 . . . . A 77 ARG CD . 30798 1 676 . 1 . 1 85 85 ASN HD21 H 1 7.3610 0.0000 . 2 . . . . A 78 ASN HD21 . 30798 1 677 . 1 . 1 85 85 ASN HD22 H 1 7.5090 0.0000 . 2 . . . . A 78 ASN HD22 . 30798 1 678 . 1 . 1 85 85 ASN ND2 N 15 117.4950 0.0000 . 1 . . . . A 78 ASN ND2 . 30798 1 679 . 1 . 1 88 88 LEU HB2 H 1 1.4440 0.0000 . 2 . . . . A 81 LEU HB1 . 30798 1 680 . 1 . 1 88 88 LEU HB3 H 1 1.3170 0.0000 . 2 . . . . A 81 LEU HB2 . 30798 1 681 . 1 . 1 88 88 LEU CB C 13 42.4180 0.0000 . 1 . . . . A 81 LEU CB . 30798 1 682 . 1 . 1 91 91 ALA HA H 1 4.8640 0.0000 . 1 . . . . A 84 ALA HA . 30798 1 683 . 1 . 1 91 91 ALA HB1 H 1 1.1800 0.0000 . 1 . . . . A 84 ALA HB1 . 30798 1 684 . 1 . 1 91 91 ALA HB2 H 1 1.1800 0.0000 . 1 . . . . A 84 ALA HB2 . 30798 1 685 . 1 . 1 91 91 ALA HB3 H 1 1.1800 0.0000 . 1 . . . . A 84 ALA HB3 . 30798 1 686 . 1 . 1 91 91 ALA H H 1 9.3060 0.0000 . 1 . . . . A 84 ALA HN . 30798 1 687 . 1 . 1 91 91 ALA CA C 13 51.1500 0.0000 . 1 . . . . A 84 ALA CA . 30798 1 688 . 1 . 1 91 91 ALA CB C 13 22.5150 0.0000 . 1 . . . . A 84 ALA CB . 30798 1 689 . 1 . 1 91 91 ALA N N 15 124.2070 0.0000 . 1 . . . . A 84 ALA N . 30798 1 690 . 1 . 1 92 92 LYS HA H 1 4.9100 0.0000 . 1 . . . . A 85 LYS HA . 30798 1 691 . 1 . 1 92 92 LYS HB2 H 1 1.5440 0.0000 . 2 . . . . A 85 LYS HB1 . 30798 1 692 . 1 . 1 92 92 LYS HB3 H 1 1.4140 0.0000 . 2 . . . . A 85 LYS HB2 . 30798 1 693 . 1 . 1 92 92 LYS HG2 H 1 1.1790 0.0000 . 2 . . . . A 85 LYS HG1 . 30798 1 694 . 1 . 1 92 92 LYS HG3 H 1 0.9740 0.0000 . 2 . . . . A 85 LYS HG2 . 30798 1 695 . 1 . 1 92 92 LYS HD2 H 1 1.4930 0.0000 . 2 . . . . A 85 LYS HD1 . 30798 1 696 . 1 . 1 92 92 LYS HD3 H 1 1.4270 0.0000 . 2 . . . . A 85 LYS HD2 . 30798 1 697 . 1 . 1 92 92 LYS HE3 H 1 2.5460 0.0000 . 2 . . . . A 85 LYS HE2 . 30798 1 698 . 1 . 1 92 92 LYS H H 1 8.7100 0.0000 . 1 . . . . A 85 LYS HN . 30798 1 699 . 1 . 1 92 92 LYS CA C 13 54.4430 0.0000 . 1 . . . . A 85 LYS CA . 30798 1 700 . 1 . 1 92 92 LYS CB C 13 33.6340 0.0000 . 1 . . . . A 85 LYS CB . 30798 1 701 . 1 . 1 92 92 LYS CG C 13 24.4840 0.0000 . 1 . . . . A 85 LYS CG . 30798 1 702 . 1 . 1 92 92 LYS CD C 13 28.7760 0.0000 . 1 . . . . A 85 LYS CD . 30798 1 703 . 1 . 1 92 92 LYS CE C 13 41.3510 0.0000 . 1 . . . . A 85 LYS CE . 30798 1 704 . 1 . 1 92 92 LYS N N 15 121.0210 0.0000 . 1 . . . . A 85 LYS N . 30798 1 705 . 1 . 1 93 93 VAL HA H 1 4.2500 0.0000 . 1 . . . . A 86 VAL HA . 30798 1 706 . 1 . 1 93 93 VAL HB H 1 1.6400 0.0000 . 1 . . . . A 86 VAL HB . 30798 1 707 . 1 . 1 93 93 VAL HG11 H 1 -0.1060 0.0000 . 2 . . . . A 86 VAL HG11 . 30798 1 708 . 1 . 1 93 93 VAL HG12 H 1 -0.1060 0.0000 . 2 . . . . A 86 VAL HG12 . 30798 1 709 . 1 . 1 93 93 VAL HG13 H 1 -0.1060 0.0000 . 2 . . . . A 86 VAL HG13 . 30798 1 710 . 1 . 1 93 93 VAL HG21 H 1 0.4630 0.0000 . 2 . . . . A 86 VAL HG21 . 30798 1 711 . 1 . 1 93 93 VAL HG22 H 1 0.4630 0.0000 . 2 . . . . A 86 VAL HG22 . 30798 1 712 . 1 . 1 93 93 VAL HG23 H 1 0.4630 0.0000 . 2 . . . . A 86 VAL HG23 . 30798 1 713 . 1 . 1 93 93 VAL H H 1 8.8690 0.0000 . 1 . . . . A 86 VAL HN . 30798 1 714 . 1 . 1 93 93 VAL CA C 13 58.6800 0.0000 . 1 . . . . A 86 VAL CA . 30798 1 715 . 1 . 1 93 93 VAL CB C 13 33.6180 0.0000 . 1 . . . . A 86 VAL CB . 30798 1 716 . 1 . 1 93 93 VAL CG1 C 13 19.5600 0.0000 . 2 . . . . A 86 VAL CG1 . 30798 1 717 . 1 . 1 93 93 VAL CG2 C 13 19.9720 0.0000 . 2 . . . . A 86 VAL CG2 . 30798 1 718 . 1 . 1 93 93 VAL N N 15 124.9350 0.0000 . 1 . . . . A 86 VAL N . 30798 1 719 . 1 . 1 94 94 PRO HA H 1 4.5620 0.0000 . 1 . . . . A 87 PRO HA . 30798 1 720 . 1 . 1 94 94 PRO HB3 H 1 2.1290 0.0000 . 2 . . . . A 87 PRO HB2 . 30798 1 721 . 1 . 1 94 94 PRO HG3 H 1 1.9950 0.0000 . 2 . . . . A 87 PRO HG2 . 30798 1 722 . 1 . 1 94 94 PRO HD2 H 1 3.6420 0.0000 . 2 . . . . A 87 PRO HD1 . 30798 1 723 . 1 . 1 94 94 PRO HD3 H 1 3.8700 0.0000 . 2 . . . . A 87 PRO HD2 . 30798 1 724 . 1 . 1 94 94 PRO CA C 13 62.2910 0.0000 . 1 . . 150332 . A 87 PRO CA . 30798 1 725 . 1 . 1 94 94 PRO CB C 13 31.8590 0.0000 . 1 . . 150335 . A 87 PRO CB . 30798 1 726 . 1 . 1 94 94 PRO CG C 13 27.5110 0.0000 . 1 . . . . A 87 PRO CG . 30798 1 727 . 1 . 1 94 94 PRO CD C 13 51.1830 0.0000 . 1 . . . . A 87 PRO CD . 30798 1 728 . 1 . 1 95 95 LEU HA H 1 4.1000 0.0000 . 1 . . . . A 88 LEU HA . 30798 1 729 . 1 . 1 95 95 LEU HB2 H 1 1.5950 0.0000 . 2 . . . . A 88 LEU HB1 . 30798 1 730 . 1 . 1 95 95 LEU HB3 H 1 1.2780 0.0000 . 2 . . . . A 88 LEU HB2 . 30798 1 731 . 1 . 1 95 95 LEU HG H 1 1.5090 0.0000 . 1 . . . . A 88 LEU HG . 30798 1 732 . 1 . 1 95 95 LEU HD11 H 1 0.5370 0.0000 . 2 . . . . A 88 LEU HD11 . 30798 1 733 . 1 . 1 95 95 LEU HD12 H 1 0.5370 0.0000 . 2 . . . . A 88 LEU HD12 . 30798 1 734 . 1 . 1 95 95 LEU HD13 H 1 0.5370 0.0000 . 2 . . . . A 88 LEU HD13 . 30798 1 735 . 1 . 1 95 95 LEU HD21 H 1 0.5090 0.0000 . 2 . . . . A 88 LEU HD21 . 30798 1 736 . 1 . 1 95 95 LEU HD22 H 1 0.5090 0.0000 . 2 . . . . A 88 LEU HD22 . 30798 1 737 . 1 . 1 95 95 LEU HD23 H 1 0.5090 0.0000 . 2 . . . . A 88 LEU HD23 . 30798 1 738 . 1 . 1 95 95 LEU H H 1 8.0550 0.0000 . 1 . . 150331 . A 88 LEU HN . 30798 1 739 . 1 . 1 95 95 LEU CA C 13 55.9200 0.0000 . 1 . . 161910 . A 88 LEU CA . 30798 1 740 . 1 . 1 95 95 LEU CB C 13 40.2150 0.0000 . 1 . . 137602 . A 88 LEU CB . 30798 1 741 . 1 . 1 95 95 LEU CG C 13 26.9900 0.0000 . 1 . . . . A 88 LEU CG . 30798 1 742 . 1 . 1 95 95 LEU CD1 C 13 23.4040 0.0000 . 2 . . . . A 88 LEU CD1 . 30798 1 743 . 1 . 1 95 95 LEU CD2 C 13 26.5460 0.0000 . 2 . . . . A 88 LEU CD2 . 30798 1 744 . 1 . 1 95 95 LEU N N 15 124.0710 0.0000 . 1 . . 150333 . A 88 LEU N . 30798 1 745 . 1 . 1 96 96 ARG HA H 1 3.9430 0.0000 . 1 . . . . A 89 ARG HA . 30798 1 746 . 1 . 1 96 96 ARG HB2 H 1 2.1200 0.0000 . 2 . . . . A 89 ARG HB1 . 30798 1 747 . 1 . 1 96 96 ARG HG2 H 1 1.6400 0.0000 . 2 . . . . A 89 ARG HG1 . 30798 1 748 . 1 . 1 96 96 ARG HD3 H 1 3.2870 0.0000 . 2 . . . . A 89 ARG HD2 . 30798 1 749 . 1 . 1 96 96 ARG H H 1 8.6970 0.0000 . 1 . . 161900 . A 89 ARG HN . 30798 1 750 . 1 . 1 96 96 ARG CA C 13 59.6350 0.0000 . 1 . . 162071 . A 89 ARG CA . 30798 1 751 . 1 . 1 96 96 ARG CB C 13 29.3290 0.0000 . 1 . . 138601 . A 89 ARG CB . 30798 1 752 . 1 . 1 96 96 ARG CG C 13 26.6490 0.0000 . 1 . . . . A 89 ARG CG . 30798 1 753 . 1 . 1 96 96 ARG CD C 13 43.0940 0.0000 . 1 . . . . A 89 ARG CD . 30798 1 754 . 1 . 1 96 96 ARG N N 15 120.1320 0.0000 . 1 . . 161902 . A 89 ARG N . 30798 1 755 . 1 . 1 97 97 GLU HA H 1 4.1650 0.0000 . 1 . . . . A 90 GLU HA . 30798 1 756 . 1 . 1 97 97 GLU HB2 H 1 2.1480 0.0000 . 2 . . . . A 90 GLU HB1 . 30798 1 757 . 1 . 1 97 97 GLU HG2 H 1 2.3550 0.0000 . 2 . . . . A 90 GLU HG1 . 30798 1 758 . 1 . 1 97 97 GLU HG3 H 1 2.4610 0.0000 . 2 . . . . A 90 GLU HG2 . 30798 1 759 . 1 . 1 97 97 GLU H H 1 8.0980 0.0000 . 1 . . 162070 . A 90 GLU HN . 30798 1 760 . 1 . 1 97 97 GLU CA C 13 58.9450 0.0000 . 1 . . 139606 . A 90 GLU CA . 30798 1 761 . 1 . 1 97 97 GLU CB C 13 29.6780 0.0000 . 1 . . 138700 . A 90 GLU CB . 30798 1 762 . 1 . 1 97 97 GLU CG C 13 36.9640 0.0000 . 1 . . . . A 90 GLU CG . 30798 1 763 . 1 . 1 97 97 GLU N N 15 117.5440 0.0000 . 1 . . 162072 . A 90 GLU N . 30798 1 764 . 1 . 1 98 98 VAL HA H 1 3.5760 0.0000 . 1 . . . . A 91 VAL HA . 30798 1 765 . 1 . 1 98 98 VAL HB H 1 2.2290 0.0000 . 1 . . . . A 91 VAL HB . 30798 1 766 . 1 . 1 98 98 VAL HG11 H 1 0.7760 0.0000 . 2 . . . . A 91 VAL HG11 . 30798 1 767 . 1 . 1 98 98 VAL HG12 H 1 0.7760 0.0000 . 2 . . . . A 91 VAL HG12 . 30798 1 768 . 1 . 1 98 98 VAL HG13 H 1 0.7760 0.0000 . 2 . . . . A 91 VAL HG13 . 30798 1 769 . 1 . 1 98 98 VAL HG21 H 1 1.0260 0.0000 . 2 . . . . A 91 VAL HG21 . 30798 1 770 . 1 . 1 98 98 VAL HG22 H 1 1.0260 0.0000 . 2 . . . . A 91 VAL HG22 . 30798 1 771 . 1 . 1 98 98 VAL HG23 H 1 1.0260 0.0000 . 2 . . . . A 91 VAL HG23 . 30798 1 772 . 1 . 1 98 98 VAL H H 1 7.4760 0.0000 . 1 . . 137886 . A 91 VAL HN . 30798 1 773 . 1 . 1 98 98 VAL CA C 13 65.2980 0.0000 . 1 . . 137887 . A 91 VAL CA . 30798 1 774 . 1 . 1 98 98 VAL CB C 13 31.5710 0.0000 . 1 . . 138703 . A 91 VAL CB . 30798 1 775 . 1 . 1 98 98 VAL CG1 C 13 21.5030 0.0000 . 2 . . . . A 91 VAL CG1 . 30798 1 776 . 1 . 1 98 98 VAL CG2 C 13 22.8980 0.0000 . 2 . . . . A 91 VAL CG2 . 30798 1 777 . 1 . 1 98 98 VAL N N 15 117.6910 0.0000 . 1 . . 137888 . A 91 VAL N . 30798 1 778 . 1 . 1 99 99 LEU HA H 1 4.0970 0.0000 . 1 . . . . A 92 LEU HA . 30798 1 779 . 1 . 1 99 99 LEU HB2 H 1 1.6080 0.0000 . 2 . . . . A 92 LEU HB1 . 30798 1 780 . 1 . 1 99 99 LEU HB3 H 1 1.6550 0.0000 . 2 . . . . A 92 LEU HB2 . 30798 1 781 . 1 . 1 99 99 LEU HG H 1 1.5060 0.0000 . 1 . . . . A 92 LEU HG . 30798 1 782 . 1 . 1 99 99 LEU HD11 H 1 0.6010 0.0000 . 2 . . . . A 92 LEU HD11 . 30798 1 783 . 1 . 1 99 99 LEU HD12 H 1 0.6010 0.0000 . 2 . . . . A 92 LEU HD12 . 30798 1 784 . 1 . 1 99 99 LEU HD13 H 1 0.6010 0.0000 . 2 . . . . A 92 LEU HD13 . 30798 1 785 . 1 . 1 99 99 LEU HD21 H 1 0.6490 0.0000 . 2 . . . . A 92 LEU HD21 . 30798 1 786 . 1 . 1 99 99 LEU HD22 H 1 0.6490 0.0000 . 2 . . . . A 92 LEU HD22 . 30798 1 787 . 1 . 1 99 99 LEU HD23 H 1 0.6490 0.0000 . 2 . . . . A 92 LEU HD23 . 30798 1 788 . 1 . 1 99 99 LEU H H 1 7.2140 0.0000 . 1 . . 137676 . A 92 LEU HN . 30798 1 789 . 1 . 1 99 99 LEU CA C 13 56.0760 0.0000 . 1 . . 139636 . A 92 LEU CA . 30798 1 790 . 1 . 1 99 99 LEU CB C 13 41.1460 0.0000 . 1 . . 137662 . A 92 LEU CB . 30798 1 791 . 1 . 1 99 99 LEU CG C 13 27.1270 0.0000 . 1 . . . . A 92 LEU CG . 30798 1 792 . 1 . 1 99 99 LEU CD1 C 13 24.8460 0.0000 . 2 . . . . A 92 LEU CD1 . 30798 1 793 . 1 . 1 99 99 LEU CD2 C 13 23.1060 0.0000 . 2 . . . . A 92 LEU CD2 . 30798 1 794 . 1 . 1 99 99 LEU N N 15 116.0390 0.0000 . 1 . . 137678 . A 92 LEU N . 30798 1 795 . 1 . 1 100 100 ALA HA H 1 4.3930 0.0000 . 1 . . . . A 93 ALA HA . 30798 1 796 . 1 . 1 100 100 ALA HB1 H 1 1.5040 0.0000 . 1 . . . . A 93 ALA HB1 . 30798 1 797 . 1 . 1 100 100 ALA HB2 H 1 1.5040 0.0000 . 1 . . . . A 93 ALA HB2 . 30798 1 798 . 1 . 1 100 100 ALA HB3 H 1 1.5040 0.0000 . 1 . . . . A 93 ALA HB3 . 30798 1 799 . 1 . 1 100 100 ALA H H 1 7.1730 0.0000 . 1 . . 138669 . A 93 ALA HN . 30798 1 800 . 1 . 1 100 100 ALA CA C 13 52.5960 0.0000 . 1 . . 138889 . A 93 ALA CA . 30798 1 801 . 1 . 1 100 100 ALA CB C 13 19.5280 0.0000 . 1 . . 138721 . A 93 ALA CB . 30798 1 802 . 1 . 1 100 100 ALA N N 15 118.2470 0.0000 . 1 . . 138671 . A 93 ALA N . 30798 1 803 . 1 . 1 101 101 THR HA H 1 4.9610 0.0000 . 1 . . . . A 94 THR HA . 30798 1 804 . 1 . 1 101 101 THR HB H 1 4.4720 0.0000 . 1 . . . . A 94 THR HB . 30798 1 805 . 1 . 1 101 101 THR HG21 H 1 1.4710 0.0000 . 1 . . . . A 94 THR HG21 . 30798 1 806 . 1 . 1 101 101 THR HG22 H 1 1.4710 0.0000 . 1 . . . . A 94 THR HG22 . 30798 1 807 . 1 . 1 101 101 THR HG23 H 1 1.4710 0.0000 . 1 . . . . A 94 THR HG23 . 30798 1 808 . 1 . 1 101 101 THR H H 1 7.3830 0.0000 . 1 . . 138873 . A 94 THR HN . 30798 1 809 . 1 . 1 101 101 THR CA C 13 58.7280 0.0000 . 1 . . 138883 . A 94 THR CA . 30798 1 810 . 1 . 1 101 101 THR CB C 13 70.2410 0.0000 . 1 . . 138874 . A 94 THR CB . 30798 1 811 . 1 . 1 101 101 THR CG2 C 13 21.5340 0.0000 . 1 . . . . A 94 THR CG2 . 30798 1 812 . 1 . 1 101 101 THR N N 15 111.4330 0.0000 . 1 . . 138875 . A 94 THR N . 30798 1 813 . 1 . 1 102 102 PRO HA H 1 4.4370 0.0000 . 1 . . . . A 95 PRO HA . 30798 1 814 . 1 . 1 102 102 PRO HB2 H 1 2.4250 0.0000 . 2 . . . . A 95 PRO HB1 . 30798 1 815 . 1 . 1 102 102 PRO HB3 H 1 2.0380 0.0000 . 2 . . . . A 95 PRO HB2 . 30798 1 816 . 1 . 1 102 102 PRO HG3 H 1 2.1190 0.0000 . 2 . . . . A 95 PRO HG2 . 30798 1 817 . 1 . 1 102 102 PRO HD3 H 1 3.9800 0.0000 . 2 . . . . A 95 PRO HD2 . 30798 1 818 . 1 . 1 102 102 PRO CA C 13 64.8640 0.0000 . 1 . . . . A 95 PRO CA . 30798 1 819 . 1 . 1 102 102 PRO CB C 13 32.0300 0.0000 . 1 . . 137818 . A 95 PRO CB . 30798 1 820 . 1 . 1 102 102 PRO CG C 13 27.6110 0.0000 . 1 . . . . A 95 PRO CG . 30798 1 821 . 1 . 1 102 102 PRO CD C 13 51.1040 0.0000 . 1 . . . . A 95 PRO CD . 30798 1 822 . 1 . 1 103 103 SER HA H 1 4.3590 0.0000 . 1 . . . . A 96 SER HA . 30798 1 823 . 1 . 1 103 103 SER HB2 H 1 3.8800 0.0000 . 2 . . . . A 96 SER HB1 . 30798 1 824 . 1 . 1 103 103 SER HB3 H 1 4.0780 0.0000 . 2 . . . . A 96 SER HB2 . 30798 1 825 . 1 . 1 103 103 SER H H 1 7.9190 0.0000 . 1 . . 137787 . A 96 SER HN . 30798 1 826 . 1 . 1 103 103 SER CA C 13 58.5170 0.0000 . 1 . . 140367 . A 96 SER CA . 30798 1 827 . 1 . 1 103 103 SER CB C 13 63.7270 0.0000 . 1 . . 138475 . A 96 SER CB . 30798 1 828 . 1 . 1 103 103 SER N N 15 109.7540 0.0000 . 1 . . 137789 . A 96 SER N . 30798 1 829 . 1 . 1 104 104 LEU HA H 1 4.3650 0.0000 . 1 . . . . A 97 LEU HA . 30798 1 830 . 1 . 1 104 104 LEU HB2 H 1 2.2390 0.0000 . 2 . . . . A 97 LEU HB1 . 30798 1 831 . 1 . 1 104 104 LEU HB3 H 1 1.8740 0.0000 . 2 . . . . A 97 LEU HB2 . 30798 1 832 . 1 . 1 104 104 LEU HG H 1 1.6390 0.0000 . 1 . . . . A 97 LEU HG . 30798 1 833 . 1 . 1 104 104 LEU HD11 H 1 1.1350 0.0000 . 2 . . . . A 97 LEU HD11 . 30798 1 834 . 1 . 1 104 104 LEU HD12 H 1 1.1350 0.0000 . 2 . . . . A 97 LEU HD12 . 30798 1 835 . 1 . 1 104 104 LEU HD13 H 1 1.1350 0.0000 . 2 . . . . A 97 LEU HD13 . 30798 1 836 . 1 . 1 104 104 LEU HD21 H 1 0.9620 0.0000 . 2 . . . . A 97 LEU HD21 . 30798 1 837 . 1 . 1 104 104 LEU HD22 H 1 0.9620 0.0000 . 2 . . . . A 97 LEU HD22 . 30798 1 838 . 1 . 1 104 104 LEU HD23 H 1 0.9620 0.0000 . 2 . . . . A 97 LEU HD23 . 30798 1 839 . 1 . 1 104 104 LEU H H 1 8.2540 0.0000 . 1 . . 138414 . A 97 LEU HN . 30798 1 840 . 1 . 1 104 104 LEU CA C 13 55.3170 0.0000 . 1 . . 138415 . A 97 LEU CA . 30798 1 841 . 1 . 1 104 104 LEU CB C 13 40.0920 0.0000 . 1 . . 138577 . A 97 LEU CB . 30798 1 842 . 1 . 1 104 104 LEU CD1 C 13 24.3630 0.0000 . 2 . . . . A 97 LEU CD1 . 30798 1 843 . 1 . 1 104 104 LEU CD2 C 13 26.3180 0.0000 . 2 . . . . A 97 LEU CD2 . 30798 1 844 . 1 . 1 104 104 LEU N N 15 121.0700 0.0000 . 1 . . 138416 . A 97 LEU N . 30798 1 845 . 1 . 1 105 105 SER HA H 1 5.3830 0.0000 . 1 . . . . A 98 SER HA . 30798 1 846 . 1 . 1 105 105 SER HB2 H 1 3.7120 0.0000 . 2 . . . . A 98 SER HB1 . 30798 1 847 . 1 . 1 105 105 SER HB3 H 1 3.6170 0.0000 . 2 . . . . A 98 SER HB2 . 30798 1 848 . 1 . 1 105 105 SER H H 1 7.5540 0.0000 . 1 . . 154120 . A 98 SER HN . 30798 1 849 . 1 . 1 105 105 SER CA C 13 56.6150 0.0000 . 1 . . 138088 . A 98 SER CA . 30798 1 850 . 1 . 1 105 105 SER CB C 13 65.2070 0.0000 . 1 . . 138145 . A 98 SER CB . 30798 1 851 . 1 . 1 105 105 SER N N 15 110.0890 0.0000 . 1 . . 154122 . A 98 SER N . 30798 1 852 . 1 . 1 106 106 ALA HA H 1 4.5950 0.0000 . 1 . . . . A 99 ALA HA . 30798 1 853 . 1 . 1 106 106 ALA HB1 H 1 1.0940 0.0000 . 1 . . . . A 99 ALA HB1 . 30798 1 854 . 1 . 1 106 106 ALA HB2 H 1 1.0940 0.0000 . 1 . . . . A 99 ALA HB2 . 30798 1 855 . 1 . 1 106 106 ALA HB3 H 1 1.0940 0.0000 . 1 . . . . A 99 ALA HB3 . 30798 1 856 . 1 . 1 106 106 ALA H H 1 9.0680 0.0000 . 1 . . 137346 . A 99 ALA HN . 30798 1 857 . 1 . 1 106 106 ALA CA C 13 51.6080 0.0000 . 1 . . 139666 . A 99 ALA CA . 30798 1 858 . 1 . 1 106 106 ALA CB C 13 23.1400 0.0000 . 1 . . 138322 . A 99 ALA CB . 30798 1 859 . 1 . 1 106 106 ALA N N 15 125.1860 0.0000 . 1 . . 137348 . A 99 ALA N . 30798 1 860 . 1 . 1 107 107 SER HA H 1 5.1600 0.0000 . 1 . . . . A 100 SER HA . 30798 1 861 . 1 . 1 107 107 SER HB2 H 1 3.6590 0.0000 . 2 . . . . A 100 SER HB1 . 30798 1 862 . 1 . 1 107 107 SER HB3 H 1 3.7920 0.0000 . 2 . . . . A 100 SER HB2 . 30798 1 863 . 1 . 1 107 107 SER H H 1 8.1830 0.0000 . 1 . . 137709 . A 100 SER HN . 30798 1 864 . 1 . 1 107 107 SER CA C 13 57.1320 0.0000 . 1 . . 139588 . A 100 SER CA . 30798 1 865 . 1 . 1 107 107 SER CB C 13 64.7390 0.0000 . 1 . . 137545 . A 100 SER CB . 30798 1 866 . 1 . 1 107 107 SER N N 15 115.4740 0.0000 . 1 . . 137711 . A 100 SER N . 30798 1 867 . 1 . 1 108 108 PHE HA H 1 4.7700 0.0000 . 1 . . . . A 101 PHE HA . 30798 1 868 . 1 . 1 108 108 PHE HB2 H 1 2.9990 0.0000 . 2 . . . . A 101 PHE HB1 . 30798 1 869 . 1 . 1 108 108 PHE HB3 H 1 2.6860 0.0000 . 2 . . . . A 101 PHE HB2 . 30798 1 870 . 1 . 1 108 108 PHE HD1 H 1 7.1380 0.0000 . 3 . . . . A 101 PHE HD1 . 30798 1 871 . 1 . 1 108 108 PHE HE1 H 1 6.9160 0.0000 . 3 . . . . A 101 PHE HE1 . 30798 1 872 . 1 . 1 108 108 PHE H H 1 9.1440 0.0000 . 1 . . 138501 . A 101 PHE HN . 30798 1 873 . 1 . 1 108 108 PHE CA C 13 57.4210 0.0000 . 1 . . 138502 . A 101 PHE CA . 30798 1 874 . 1 . 1 108 108 PHE CB C 13 42.9310 0.0000 . 1 . . 138565 . A 101 PHE CB . 30798 1 875 . 1 . 1 108 108 PHE N N 15 120.7130 0.0000 . 1 . . 138503 . A 101 PHE N . 30798 1 876 . 1 . 1 109 109 ASN HA H 1 5.1020 0.0000 . 1 . . . . A 102 ASN HA . 30798 1 877 . 1 . 1 109 109 ASN HB2 H 1 2.5710 0.0000 . 2 . . . . A 102 ASN HB1 . 30798 1 878 . 1 . 1 109 109 ASN HB3 H 1 2.8800 0.0000 . 2 . . . . A 102 ASN HB2 . 30798 1 879 . 1 . 1 109 109 ASN HD21 H 1 7.2730 0.0000 . 2 . . . . A 102 ASN HD21 . 30798 1 880 . 1 . 1 109 109 ASN HD22 H 1 6.6830 0.0000 . 2 . . . . A 102 ASN HD22 . 30798 1 881 . 1 . 1 109 109 ASN H H 1 8.6340 0.0000 . 1 . . . . A 102 ASN HN . 30798 1 882 . 1 . 1 109 109 ASN CA C 13 52.2760 0.0000 . 1 . . . . A 102 ASN CA . 30798 1 883 . 1 . 1 109 109 ASN CB C 13 38.1700 0.0000 . 1 . . . . A 102 ASN CB . 30798 1 884 . 1 . 1 109 109 ASN N N 15 122.3440 0.0000 . 1 . . . . A 102 ASN N . 30798 1 885 . 1 . 1 109 109 ASN ND2 N 15 109.9720 0.0000 . 1 . . . . A 102 ASN ND2 . 30798 1 886 . 1 . 1 110 110 ALA HA H 1 4.9060 0.0000 . 1 . . . . A 103 ALA HA . 30798 1 887 . 1 . 1 110 110 ALA HB1 H 1 1.1590 0.0000 . 1 . . . . A 103 ALA HB1 . 30798 1 888 . 1 . 1 110 110 ALA HB2 H 1 1.1590 0.0000 . 1 . . . . A 103 ALA HB2 . 30798 1 889 . 1 . 1 110 110 ALA HB3 H 1 1.1590 0.0000 . 1 . . . . A 103 ALA HB3 . 30798 1 890 . 1 . 1 110 110 ALA H H 1 9.2910 0.0000 . 1 . . . . A 103 ALA HN . 30798 1 891 . 1 . 1 110 110 ALA CA C 13 49.1150 0.0000 . 1 . . . . A 103 ALA CA . 30798 1 892 . 1 . 1 110 110 ALA CB C 13 19.7600 0.0000 . 1 . . . . A 103 ALA CB . 30798 1 893 . 1 . 1 110 110 ALA N N 15 128.3610 0.0000 . 1 . . . . A 103 ALA N . 30798 1 894 . 1 . 1 111 111 PRO HA H 1 4.5620 0.0000 . 1 . . . . A 104 PRO HA . 30798 1 895 . 1 . 1 111 111 PRO HB2 H 1 1.9580 0.0000 . 2 . . . . A 104 PRO HB1 . 30798 1 896 . 1 . 1 111 111 PRO HB3 H 1 2.3910 0.0000 . 2 . . . . A 104 PRO HB2 . 30798 1 897 . 1 . 1 111 111 PRO HG3 H 1 2.1120 0.0000 . 2 . . . . A 104 PRO HG2 . 30798 1 898 . 1 . 1 111 111 PRO HD2 H 1 4.2710 0.0000 . 2 . . . . A 104 PRO HD1 . 30798 1 899 . 1 . 1 111 111 PRO HD3 H 1 3.8060 0.0000 . 2 . . . . A 104 PRO HD2 . 30798 1 900 . 1 . 1 111 111 PRO CA C 13 62.3020 0.0000 . 1 . . . . A 104 PRO CA . 30798 1 901 . 1 . 1 111 111 PRO CB C 13 32.0460 0.0000 . 1 . . . . A 104 PRO CB . 30798 1 902 . 1 . 1 111 111 PRO CG C 13 27.5210 0.0000 . 1 . . . . A 104 PRO CG . 30798 1 903 . 1 . 1 111 111 PRO CD C 13 50.9720 0.0000 . 1 . . . . A 104 PRO CD . 30798 1 904 . 1 . 1 112 112 LEU HA H 1 4.5090 0.0000 . 1 . . . . A 105 LEU HA . 30798 1 905 . 1 . 1 112 112 LEU HB2 H 1 0.9020 0.0000 . 2 . . . . A 105 LEU HB1 . 30798 1 906 . 1 . 1 112 112 LEU HB3 H 1 1.7750 0.0000 . 2 . . . . A 105 LEU HB2 . 30798 1 907 . 1 . 1 112 112 LEU HD11 H 1 0.6080 0.0000 . 2 . . . . A 105 LEU HD11 . 30798 1 908 . 1 . 1 112 112 LEU HD12 H 1 0.6080 0.0000 . 2 . . . . A 105 LEU HD12 . 30798 1 909 . 1 . 1 112 112 LEU HD13 H 1 0.6080 0.0000 . 2 . . . . A 105 LEU HD13 . 30798 1 910 . 1 . 1 112 112 LEU HD21 H 1 0.5790 0.0000 . 2 . . . . A 105 LEU HD21 . 30798 1 911 . 1 . 1 112 112 LEU HD22 H 1 0.5790 0.0000 . 2 . . . . A 105 LEU HD22 . 30798 1 912 . 1 . 1 112 112 LEU HD23 H 1 0.5790 0.0000 . 2 . . . . A 105 LEU HD23 . 30798 1 913 . 1 . 1 112 112 LEU H H 1 8.0860 0.0000 . 1 . . . . A 105 LEU HN . 30798 1 914 . 1 . 1 112 112 LEU CA C 13 53.4620 0.0000 . 1 . . . . A 105 LEU CA . 30798 1 915 . 1 . 1 112 112 LEU CB C 13 41.9400 0.0000 . 1 . . . . A 105 LEU CB . 30798 1 916 . 1 . 1 112 112 LEU CD1 C 13 25.1160 0.0000 . 2 . . . . A 105 LEU CD1 . 30798 1 917 . 1 . 1 112 112 LEU CD2 C 13 22.6320 0.0000 . 2 . . . . A 105 LEU CD2 . 30798 1 918 . 1 . 1 112 112 LEU N N 15 121.2500 0.0000 . 1 . . . . A 105 LEU N . 30798 1 919 . 1 . 1 113 113 LEU HA H 1 5.1300 0.0000 . 1 . . . . A 106 LEU HA . 30798 1 920 . 1 . 1 113 113 LEU HB2 H 1 1.2580 0.0000 . 2 . . . . A 106 LEU HB1 . 30798 1 921 . 1 . 1 113 113 LEU HB3 H 1 2.0310 0.0000 . 2 . . . . A 106 LEU HB2 . 30798 1 922 . 1 . 1 113 113 LEU HG H 1 1.8930 0.0000 . 1 . . . . A 106 LEU HG . 30798 1 923 . 1 . 1 113 113 LEU HD11 H 1 0.9360 0.0000 . 2 . . . . A 106 LEU HD11 . 30798 1 924 . 1 . 1 113 113 LEU HD12 H 1 0.9360 0.0000 . 2 . . . . A 106 LEU HD12 . 30798 1 925 . 1 . 1 113 113 LEU HD13 H 1 0.9360 0.0000 . 2 . . . . A 106 LEU HD13 . 30798 1 926 . 1 . 1 113 113 LEU HD21 H 1 0.6710 0.0000 . 2 . . . . A 106 LEU HD21 . 30798 1 927 . 1 . 1 113 113 LEU HD22 H 1 0.6710 0.0000 . 2 . . . . A 106 LEU HD22 . 30798 1 928 . 1 . 1 113 113 LEU HD23 H 1 0.6710 0.0000 . 2 . . . . A 106 LEU HD23 . 30798 1 929 . 1 . 1 113 113 LEU H H 1 9.6170 0.0000 . 1 . . . . A 106 LEU HN . 30798 1 930 . 1 . 1 113 113 LEU CA C 13 53.3370 0.0000 . 1 . . . . A 106 LEU CA . 30798 1 931 . 1 . 1 113 113 LEU CB C 13 44.1530 0.0000 . 1 . . . . A 106 LEU CB . 30798 1 932 . 1 . 1 113 113 LEU CG C 13 27.1770 0.0000 . 1 . . . . A 106 LEU CG . 30798 1 933 . 1 . 1 113 113 LEU CD1 C 13 25.3800 0.0000 . 2 . . . . A 106 LEU CD1 . 30798 1 934 . 1 . 1 113 113 LEU CD2 C 13 21.9200 0.0000 . 2 . . . . A 106 LEU CD2 . 30798 1 935 . 1 . 1 113 113 LEU N N 15 124.9600 0.0000 . 1 . . . . A 106 LEU N . 30798 1 936 . 1 . 1 114 114 ASP HB2 H 1 2.7030 0.0000 . 2 . . . . A 107 ASP HB1 . 30798 1 937 . 1 . 1 114 114 ASP HB3 H 1 3.5830 0.0000 . 2 . . . . A 107 ASP HB2 . 30798 1 938 . 1 . 1 114 114 ASP H H 1 8.9430 0.0000 . 1 . . . . A 107 ASP HN . 30798 1 939 . 1 . 1 114 114 ASP CB C 13 41.1830 0.0000 . 1 . . 137845 . A 107 ASP CB . 30798 1 940 . 1 . 1 114 114 ASP N N 15 119.2150 0.0000 . 1 . . . . A 107 ASP N . 30798 1 941 . 1 . 1 115 115 THR HA H 1 4.0670 0.0000 . 1 . . . . A 108 THR HA . 30798 1 942 . 1 . 1 115 115 THR HB H 1 4.2860 0.0000 . 1 . . . . A 108 THR HB . 30798 1 943 . 1 . 1 115 115 THR HG21 H 1 0.8800 0.0000 . 1 . . . . A 108 THR HG21 . 30798 1 944 . 1 . 1 115 115 THR HG22 H 1 0.8800 0.0000 . 1 . . . . A 108 THR HG22 . 30798 1 945 . 1 . 1 115 115 THR HG23 H 1 0.8800 0.0000 . 1 . . . . A 108 THR HG23 . 30798 1 946 . 1 . 1 115 115 THR H H 1 8.0850 0.0000 . 1 . . 137832 . A 108 THR HN . 30798 1 947 . 1 . 1 115 115 THR CA C 13 64.5690 0.0000 . 1 . . 138982 . A 108 THR CA . 30798 1 948 . 1 . 1 115 115 THR CB C 13 68.7440 0.0000 . 1 . . 138979 . A 108 THR CB . 30798 1 949 . 1 . 1 115 115 THR CG2 C 13 21.6330 0.0000 . 1 . . . . A 108 THR CG2 . 30798 1 950 . 1 . 1 115 115 THR N N 15 109.0300 0.0000 . 1 . . 137834 . A 108 THR N . 30798 1 951 . 1 . 1 116 116 LYS HA H 1 4.4820 0.0000 . 1 . . . . A 109 LYS HA . 30798 1 952 . 1 . 1 116 116 LYS HB2 H 1 1.8830 0.0000 . 2 . . . . A 109 LYS HB1 . 30798 1 953 . 1 . 1 116 116 LYS HB3 H 1 2.0740 0.0000 . 2 . . . . A 109 LYS HB2 . 30798 1 954 . 1 . 1 116 116 LYS HG2 H 1 1.4060 0.0000 . 2 . . . . A 109 LYS HG1 . 30798 1 955 . 1 . 1 116 116 LYS HD2 H 1 1.6560 0.0000 . 2 . . . . A 109 LYS HD1 . 30798 1 956 . 1 . 1 116 116 LYS HE3 H 1 2.9520 0.0000 . 2 . . . . A 109 LYS HE2 . 30798 1 957 . 1 . 1 116 116 LYS H H 1 8.2870 0.0000 . 1 . . 161673 . A 109 LYS HN . 30798 1 958 . 1 . 1 116 116 LYS CA C 13 55.5980 0.0000 . 1 . . 161686 . A 109 LYS CA . 30798 1 959 . 1 . 1 116 116 LYS CB C 13 31.6120 0.0000 . 1 . . 161689 . A 109 LYS CB . 30798 1 960 . 1 . 1 116 116 LYS CG C 13 25.3280 0.0000 . 1 . . . . A 109 LYS CG . 30798 1 961 . 1 . 1 116 116 LYS CD C 13 28.9000 0.0000 . 1 . . . . A 109 LYS CD . 30798 1 962 . 1 . 1 116 116 LYS N N 15 122.1530 0.0000 . 1 . . 161675 . A 109 LYS N . 30798 1 963 . 1 . 1 117 117 LYS HA H 1 3.7210 0.0000 . 1 . . . . A 110 LYS HA . 30798 1 964 . 1 . 1 117 117 LYS HB2 H 1 2.2370 0.0000 . 2 . . . . A 110 LYS HB1 . 30798 1 965 . 1 . 1 117 117 LYS HB3 H 1 2.0580 0.0000 . 2 . . . . A 110 LYS HB2 . 30798 1 966 . 1 . 1 117 117 LYS HG2 H 1 0.9410 0.0000 . 2 . . . . A 110 LYS HG1 . 30798 1 967 . 1 . 1 117 117 LYS HG3 H 1 1.3740 0.0000 . 2 . . . . A 110 LYS HG2 . 30798 1 968 . 1 . 1 117 117 LYS HD3 H 1 1.6430 0.0000 . 2 . . . . A 110 LYS HD2 . 30798 1 969 . 1 . 1 117 117 LYS HE3 H 1 2.9800 0.0000 . 2 . . . . A 110 LYS HE2 . 30798 1 970 . 1 . 1 117 117 LYS H H 1 8.1870 0.0000 . 1 . . . . A 110 LYS HN . 30798 1 971 . 1 . 1 117 117 LYS CA C 13 57.9260 0.0000 . 1 . . . . A 110 LYS CA . 30798 1 972 . 1 . 1 117 117 LYS CB C 13 28.6690 0.0000 . 1 . . . . A 110 LYS CB . 30798 1 973 . 1 . 1 117 117 LYS CG C 13 25.5890 0.0000 . 1 . . . . A 110 LYS CG . 30798 1 974 . 1 . 1 117 117 LYS CD C 13 29.1490 0.0000 . 1 . . . . A 110 LYS CD . 30798 1 975 . 1 . 1 117 117 LYS CE C 13 42.3300 0.0000 . 1 . . . . A 110 LYS CE . 30798 1 976 . 1 . 1 117 117 LYS N N 15 113.2010 0.0000 . 1 . . . . A 110 LYS N . 30798 1 977 . 1 . 1 118 118 GLN HA H 1 4.8440 0.0000 . 1 . . . . A 111 GLN HA . 30798 1 978 . 1 . 1 118 118 GLN HB2 H 1 2.2330 0.0000 . 2 . . . . A 111 GLN HB1 . 30798 1 979 . 1 . 1 118 118 GLN HB3 H 1 2.0740 0.0000 . 2 . . . . A 111 GLN HB2 . 30798 1 980 . 1 . 1 118 118 GLN HG2 H 1 2.2770 0.0000 . 2 . . . . A 111 GLN HG1 . 30798 1 981 . 1 . 1 118 118 GLN HG3 H 1 2.4300 0.0000 . 2 . . . . A 111 GLN HG2 . 30798 1 982 . 1 . 1 118 118 GLN HE21 H 1 7.6870 0.0000 . 2 . . . . A 111 GLN HE21 . 30798 1 983 . 1 . 1 118 118 GLN HE22 H 1 6.9480 0.0000 . 2 . . . . A 111 GLN HE22 . 30798 1 984 . 1 . 1 118 118 GLN H H 1 8.6440 0.0000 . 1 . . . . A 111 GLN HN . 30798 1 985 . 1 . 1 118 118 GLN CA C 13 52.5200 0.0000 . 1 . . . . A 111 GLN CA . 30798 1 986 . 1 . 1 118 118 GLN CB C 13 28.1140 0.0000 . 1 . . . . A 111 GLN CB . 30798 1 987 . 1 . 1 118 118 GLN CG C 13 33.7660 0.0000 . 1 . . . . A 111 GLN CG . 30798 1 988 . 1 . 1 118 118 GLN N N 15 119.3020 0.0000 . 1 . . . . A 111 GLN N . 30798 1 989 . 1 . 1 118 118 GLN NE2 N 15 113.3010 0.0000 . 1 . . . . A 111 GLN NE2 . 30798 1 990 . 1 . 1 119 119 PRO HA H 1 4.9030 0.0000 . 1 . . . . A 112 PRO HA . 30798 1 991 . 1 . 1 119 119 PRO HB2 H 1 1.9870 0.0000 . 2 . . . . A 112 PRO HB1 . 30798 1 992 . 1 . 1 119 119 PRO HG2 H 1 2.2270 0.0000 . 2 . . . . A 112 PRO HG1 . 30798 1 993 . 1 . 1 119 119 PRO HG3 H 1 2.0270 0.0000 . 2 . . . . A 112 PRO HG2 . 30798 1 994 . 1 . 1 119 119 PRO HD3 H 1 3.9230 0.0000 . 2 . . . . A 112 PRO HD2 . 30798 1 995 . 1 . 1 119 119 PRO CA C 13 63.7400 0.0000 . 1 . . . . A 112 PRO CA . 30798 1 996 . 1 . 1 119 119 PRO CB C 13 32.0970 0.0000 . 1 . . . . A 112 PRO CB . 30798 1 997 . 1 . 1 119 119 PRO CG C 13 27.8130 0.0000 . 1 . . . . A 112 PRO CG . 30798 1 998 . 1 . 1 119 119 PRO CD C 13 50.7400 0.0000 . 1 . . . . A 112 PRO CD . 30798 1 999 . 1 . 1 120 120 THR HA H 1 4.5270 0.0000 . 1 . . . . A 113 THR HA . 30798 1 1000 . 1 . 1 120 120 THR HB H 1 4.5850 0.0000 . 1 . . . . A 113 THR HB . 30798 1 1001 . 1 . 1 120 120 THR HG21 H 1 1.3840 0.0000 . 1 . . . . A 113 THR HG21 . 30798 1 1002 . 1 . 1 120 120 THR HG22 H 1 1.3840 0.0000 . 1 . . . . A 113 THR HG22 . 30798 1 1003 . 1 . 1 120 120 THR HG23 H 1 1.3840 0.0000 . 1 . . . . A 113 THR HG23 . 30798 1 1004 . 1 . 1 120 120 THR H H 1 8.4870 0.0000 . 1 . . . . A 113 THR HN . 30798 1 1005 . 1 . 1 120 120 THR CA C 13 62.6520 0.0000 . 1 . . . . A 113 THR CA . 30798 1 1006 . 1 . 1 120 120 THR CB C 13 71.4450 0.0000 . 1 . . . . A 113 THR CB . 30798 1 1007 . 1 . 1 120 120 THR CG2 C 13 21.6160 0.0000 . 1 . . . . A 113 THR CG2 . 30798 1 1008 . 1 . 1 120 120 THR N N 15 113.8530 0.0000 . 1 . . . . A 113 THR N . 30798 1 1009 . 1 . 1 121 121 GLY HA2 H 1 4.6400 0.0000 . 2 . . . . A 114 GLY HA1 . 30798 1 1010 . 1 . 1 121 121 GLY HA3 H 1 3.7000 0.0000 . 2 . . . . A 114 GLY HA2 . 30798 1 1011 . 1 . 1 121 121 GLY H H 1 9.0600 0.0000 . 1 . . . . A 114 GLY HN . 30798 1 1012 . 1 . 1 121 121 GLY CA C 13 45.1450 0.0000 . 1 . . . . A 114 GLY CA . 30798 1 1013 . 1 . 1 121 121 GLY N N 15 112.1790 0.0000 . 1 . . . . A 114 GLY N . 30798 1 1014 . 1 . 1 122 122 ALA HA H 1 5.2120 0.0000 . 1 . . . . A 115 ALA HA . 30798 1 1015 . 1 . 1 122 122 ALA HB1 H 1 1.3450 0.0000 . 1 . . . . A 115 ALA HB1 . 30798 1 1016 . 1 . 1 122 122 ALA HB2 H 1 1.3450 0.0000 . 1 . . . . A 115 ALA HB2 . 30798 1 1017 . 1 . 1 122 122 ALA HB3 H 1 1.3450 0.0000 . 1 . . . . A 115 ALA HB3 . 30798 1 1018 . 1 . 1 122 122 ALA H H 1 7.9880 0.0000 . 1 . . . . A 115 ALA HN . 30798 1 1019 . 1 . 1 122 122 ALA CB C 13 23.1410 0.0000 . 1 . . 145783 . A 115 ALA CB . 30798 1 1020 . 1 . 1 122 122 ALA N N 15 124.3390 0.0000 . 1 . . . . A 115 ALA N . 30798 1 1021 . 1 . 1 123 123 SER HA H 1 5.1950 0.0000 . 1 . . . . A 116 SER HA . 30798 1 1022 . 1 . 1 123 123 SER HB3 H 1 3.6230 0.0000 . 2 . . . . A 116 SER HB2 . 30798 1 1023 . 1 . 1 123 123 SER H H 1 8.5490 0.0000 . 1 . . 145782 . A 116 SER HN . 30798 1 1024 . 1 . 1 123 123 SER CA C 13 57.3050 0.0000 . 1 . . 146242 . A 116 SER CA . 30798 1 1025 . 1 . 1 123 123 SER CB C 13 65.9420 0.0000 . 1 . . 145789 . A 116 SER CB . 30798 1 1026 . 1 . 1 123 123 SER N N 15 115.3280 0.0000 . 1 . . 145784 . A 116 SER N . 30798 1 1027 . 1 . 1 124 124 LEU HA H 1 4.8990 0.0000 . 1 . . . . A 117 LEU HA . 30798 1 1028 . 1 . 1 124 124 LEU HB2 H 1 1.7240 0.0000 . 2 . . . . A 117 LEU HB1 . 30798 1 1029 . 1 . 1 124 124 LEU HB3 H 1 1.1130 0.0000 . 2 . . . . A 117 LEU HB2 . 30798 1 1030 . 1 . 1 124 124 LEU HG H 1 1.4100 0.0000 . 1 . . . . A 117 LEU HG . 30798 1 1031 . 1 . 1 124 124 LEU HD11 H 1 0.9670 0.0000 . 2 . . . . A 117 LEU HD11 . 30798 1 1032 . 1 . 1 124 124 LEU HD12 H 1 0.9670 0.0000 . 2 . . . . A 117 LEU HD12 . 30798 1 1033 . 1 . 1 124 124 LEU HD13 H 1 0.9670 0.0000 . 2 . . . . A 117 LEU HD13 . 30798 1 1034 . 1 . 1 124 124 LEU HD21 H 1 0.7360 0.0000 . 2 . . . . A 117 LEU HD21 . 30798 1 1035 . 1 . 1 124 124 LEU HD22 H 1 0.7360 0.0000 . 2 . . . . A 117 LEU HD22 . 30798 1 1036 . 1 . 1 124 124 LEU HD23 H 1 0.7360 0.0000 . 2 . . . . A 117 LEU HD23 . 30798 1 1037 . 1 . 1 124 124 LEU H H 1 8.9950 0.0000 . 1 . . 146220 . A 117 LEU HN . 30798 1 1038 . 1 . 1 124 124 LEU CA C 13 53.9880 0.0000 . 1 . . 146199 . A 117 LEU CA . 30798 1 1039 . 1 . 1 124 124 LEU CB C 13 47.5490 0.0000 . 1 . . 146230 . A 117 LEU CB . 30798 1 1040 . 1 . 1 124 124 LEU CG C 13 27.5550 0.0000 . 1 . . . . A 117 LEU CG . 30798 1 1041 . 1 . 1 124 124 LEU CD1 C 13 24.2960 0.0000 . 2 . . . . A 117 LEU CD1 . 30798 1 1042 . 1 . 1 124 124 LEU CD2 C 13 27.5780 0.0000 . 2 . . . . A 117 LEU CD2 . 30798 1 1043 . 1 . 1 124 124 LEU N N 15 123.4740 0.0000 . 1 . . 146222 . A 117 LEU N . 30798 1 1044 . 1 . 1 125 125 VAL HA H 1 5.0240 0.0000 . 1 . . . . A 118 VAL HA . 30798 1 1045 . 1 . 1 125 125 VAL HB H 1 1.0670 0.0000 . 1 . . . . A 118 VAL HB . 30798 1 1046 . 1 . 1 125 125 VAL HG11 H 1 0.8410 0.0000 . 2 . . . . A 118 VAL HG11 . 30798 1 1047 . 1 . 1 125 125 VAL HG12 H 1 0.8410 0.0000 . 2 . . . . A 118 VAL HG12 . 30798 1 1048 . 1 . 1 125 125 VAL HG13 H 1 0.8410 0.0000 . 2 . . . . A 118 VAL HG13 . 30798 1 1049 . 1 . 1 125 125 VAL HG21 H 1 0.6590 0.0000 . 2 . . . . A 118 VAL HG21 . 30798 1 1050 . 1 . 1 125 125 VAL HG22 H 1 0.6590 0.0000 . 2 . . . . A 118 VAL HG22 . 30798 1 1051 . 1 . 1 125 125 VAL HG23 H 1 0.6590 0.0000 . 2 . . . . A 118 VAL HG23 . 30798 1 1052 . 1 . 1 125 125 VAL H H 1 8.8560 0.0000 . 1 . . 146177 . A 118 VAL HN . 30798 1 1053 . 1 . 1 125 125 VAL CA C 13 62.1080 0.0000 . 1 . . 137380 . A 118 VAL CA . 30798 1 1054 . 1 . 1 125 125 VAL CB C 13 31.7910 0.0000 . 1 . . 138067 . A 118 VAL CB . 30798 1 1055 . 1 . 1 125 125 VAL CG1 C 13 21.3530 0.0000 . 2 . . . . A 118 VAL CG1 . 30798 1 1056 . 1 . 1 125 125 VAL CG2 C 13 22.0450 0.0000 . 2 . . . . A 118 VAL CG2 . 30798 1 1057 . 1 . 1 125 125 VAL N N 15 127.4130 0.0000 . 1 . . 146179 . A 118 VAL N . 30798 1 1058 . 1 . 1 126 126 LEU HA H 1 5.4620 0.0000 . 1 . . . . A 119 LEU HA . 30798 1 1059 . 1 . 1 126 126 LEU HB2 H 1 1.5740 0.0000 . 2 . . . . A 119 LEU HB1 . 30798 1 1060 . 1 . 1 126 126 LEU HB3 H 1 1.7840 0.0000 . 2 . . . . A 119 LEU HB2 . 30798 1 1061 . 1 . 1 126 126 LEU HG H 1 1.7330 0.0000 . 1 . . . . A 119 LEU HG . 30798 1 1062 . 1 . 1 126 126 LEU HD11 H 1 0.6200 0.0000 . 2 . . . . A 119 LEU HD11 . 30798 1 1063 . 1 . 1 126 126 LEU HD12 H 1 0.6200 0.0000 . 2 . . . . A 119 LEU HD12 . 30798 1 1064 . 1 . 1 126 126 LEU HD13 H 1 0.6200 0.0000 . 2 . . . . A 119 LEU HD13 . 30798 1 1065 . 1 . 1 126 126 LEU HD21 H 1 0.7930 0.0000 . 2 . . . . A 119 LEU HD21 . 30798 1 1066 . 1 . 1 126 126 LEU HD22 H 1 0.7930 0.0000 . 2 . . . . A 119 LEU HD22 . 30798 1 1067 . 1 . 1 126 126 LEU HD23 H 1 0.7930 0.0000 . 2 . . . . A 119 LEU HD23 . 30798 1 1068 . 1 . 1 126 126 LEU H H 1 8.7230 0.0000 . 1 . . 138150 . A 119 LEU HN . 30798 1 1069 . 1 . 1 126 126 LEU CA C 13 54.4260 0.0000 . 1 . . 142271 . A 119 LEU CA . 30798 1 1070 . 1 . 1 126 126 LEU CB C 13 45.7040 0.0000 . 1 . . 137593 . A 119 LEU CB . 30798 1 1071 . 1 . 1 126 126 LEU CG C 13 26.9380 0.0000 . 1 . . . . A 119 LEU CG . 30798 1 1072 . 1 . 1 126 126 LEU CD1 C 13 28.0320 0.0000 . 2 . . . . A 119 LEU CD1 . 30798 1 1073 . 1 . 1 126 126 LEU CD2 C 13 26.7210 0.0000 . 2 . . . . A 119 LEU CD2 . 30798 1 1074 . 1 . 1 126 126 LEU N N 15 123.5190 0.0000 . 1 . . 138152 . A 119 LEU N . 30798 1 1075 . 1 . 1 127 127 GLN HA H 1 5.3740 0.0000 . 1 . . . . A 120 GLN HA . 30798 1 1076 . 1 . 1 127 127 GLN HB2 H 1 2.1230 0.0000 . 2 . . . . A 120 GLN HB1 . 30798 1 1077 . 1 . 1 127 127 GLN HB3 H 1 2.1940 0.0000 . 2 . . . . A 120 GLN HB2 . 30798 1 1078 . 1 . 1 127 127 GLN HG2 H 1 2.2930 0.0000 . 2 . . . . A 120 GLN HG1 . 30798 1 1079 . 1 . 1 127 127 GLN HG3 H 1 2.3950 0.0000 . 2 . . . . A 120 GLN HG2 . 30798 1 1080 . 1 . 1 127 127 GLN HE21 H 1 7.1550 0.0000 . 2 . . . . A 120 GLN HE21 . 30798 1 1081 . 1 . 1 127 127 GLN HE22 H 1 6.6540 0.0000 . 2 . . . . A 120 GLN HE22 . 30798 1 1082 . 1 . 1 127 127 GLN H H 1 9.3270 0.0000 . 1 . . 138558 . A 120 GLN HN . 30798 1 1083 . 1 . 1 127 127 GLN CA C 13 54.5360 0.0000 . 1 . . 138202 . A 120 GLN CA . 30798 1 1084 . 1 . 1 127 127 GLN CB C 13 32.0480 0.0000 . 1 . . 138592 . A 120 GLN CB . 30798 1 1085 . 1 . 1 127 127 GLN CG C 13 33.5590 0.0000 . 1 . . . . A 120 GLN CG . 30798 1 1086 . 1 . 1 127 127 GLN N N 15 120.9690 0.0000 . 1 . . 138560 . A 120 GLN N . 30798 1 1087 . 1 . 1 127 127 GLN NE2 N 15 110.1460 0.0000 . 1 . . . . A 120 GLN NE2 . 30798 1 1088 . 1 . 1 128 128 VAL HA H 1 5.2490 0.0000 . 1 . . . . A 121 VAL HA . 30798 1 1089 . 1 . 1 128 128 VAL HB H 1 2.0300 0.0000 . 1 . . . . A 121 VAL HB . 30798 1 1090 . 1 . 1 128 128 VAL HG21 H 1 0.9490 0.0000 . 2 . . . . A 121 VAL HG21 . 30798 1 1091 . 1 . 1 128 128 VAL HG22 H 1 0.9490 0.0000 . 2 . . . . A 121 VAL HG22 . 30798 1 1092 . 1 . 1 128 128 VAL HG23 H 1 0.9490 0.0000 . 2 . . . . A 121 VAL HG23 . 30798 1 1093 . 1 . 1 128 128 VAL H H 1 9.2130 0.0000 . 1 . . 137457 . A 121 VAL HN . 30798 1 1094 . 1 . 1 128 128 VAL CA C 13 60.8030 0.0000 . 1 . . 137551 . A 121 VAL CA . 30798 1 1095 . 1 . 1 128 128 VAL CB C 13 35.1540 0.0000 . 1 . . 138277 . A 121 VAL CB . 30798 1 1096 . 1 . 1 128 128 VAL CG2 C 13 22.8340 0.0000 . 2 . . . . A 121 VAL CG2 . 30798 1 1097 . 1 . 1 128 128 VAL N N 15 124.5200 0.0000 . 1 . . 137459 . A 121 VAL N . 30798 1 1098 . 1 . 1 129 129 SER HA H 1 5.4630 0.0000 . 1 . . . . A 122 SER HA . 30798 1 1099 . 1 . 1 129 129 SER HB3 H 1 3.9160 0.0000 . 2 . . . . A 122 SER HB2 . 30798 1 1100 . 1 . 1 129 129 SER H H 1 9.4690 0.0000 . 1 . . 137607 . A 122 SER HN . 30798 1 1101 . 1 . 1 129 129 SER CA C 13 57.0010 0.0000 . 1 . . 142201 . A 122 SER CA . 30798 1 1102 . 1 . 1 129 129 SER CB C 13 66.2870 0.0000 . 1 . . 142200 . A 122 SER CB . 30798 1 1103 . 1 . 1 129 129 SER N N 15 119.8680 0.0000 . 1 . . 137609 . A 122 SER N . 30798 1 1104 . 1 . 1 130 130 TYR HA H 1 5.6500 0.0000 . 1 . . . . A 123 TYR HA . 30798 1 1105 . 1 . 1 130 130 TYR HB3 H 1 2.7580 0.0000 . 2 . . . . A 123 TYR HB2 . 30798 1 1106 . 1 . 1 130 130 TYR HD1 H 1 6.9580 0.0000 . 3 . . . . A 123 TYR HD1 . 30798 1 1107 . 1 . 1 130 130 TYR HE1 H 1 6.7570 0.0000 . 3 . . . . A 123 TYR HE1 . 30798 1 1108 . 1 . 1 130 130 TYR H H 1 8.8770 0.0000 . 1 . . 137343 . A 123 TYR HN . 30798 1 1109 . 1 . 1 130 130 TYR CA C 13 54.2860 0.0000 . 1 . . 137416 . A 123 TYR CA . 30798 1 1110 . 1 . 1 130 130 TYR CB C 13 42.3700 0.0000 . 1 . . 137443 . A 123 TYR CB . 30798 1 1111 . 1 . 1 130 130 TYR N N 15 125.1670 0.0000 . 1 . . 137345 . A 123 TYR N . 30798 1 1112 . 1 . 1 131 131 THR HA H 1 4.6470 0.0000 . 1 . . . . A 124 THR HA . 30798 1 1113 . 1 . 1 131 131 THR HB H 1 3.9510 0.0000 . 1 . . . . A 124 THR HB . 30798 1 1114 . 1 . 1 131 131 THR HG21 H 1 1.2030 0.0000 . 1 . . . . A 124 THR HG21 . 30798 1 1115 . 1 . 1 131 131 THR HG22 H 1 1.2030 0.0000 . 1 . . . . A 124 THR HG22 . 30798 1 1116 . 1 . 1 131 131 THR HG23 H 1 1.2030 0.0000 . 1 . . . . A 124 THR HG23 . 30798 1 1117 . 1 . 1 131 131 THR H H 1 8.7380 0.0000 . 1 . . 139548 . A 124 THR HN . 30798 1 1118 . 1 . 1 131 131 THR CA C 13 58.4000 0.0000 . 1 . . 138175 . A 124 THR CA . 30798 1 1119 . 1 . 1 131 131 THR CB C 13 70.5870 0.0000 . 1 . . 138142 . A 124 THR CB . 30798 1 1120 . 1 . 1 131 131 THR CG2 C 13 21.3070 0.0000 . 1 . . . . A 124 THR CG2 . 30798 1 1121 . 1 . 1 131 131 THR N N 15 124.7840 0.0000 . 1 . . 139550 . A 124 THR N . 30798 1 1122 . 1 . 1 132 132 PRO HA H 1 4.2110 0.0000 . 1 . . . . A 125 PRO HA . 30798 1 1123 . 1 . 1 132 132 PRO HB2 H 1 1.9150 0.0000 . 2 . . . . A 125 PRO HB1 . 30798 1 1124 . 1 . 1 132 132 PRO HB3 H 1 2.0480 0.0000 . 2 . . . . A 125 PRO HB2 . 30798 1 1125 . 1 . 1 132 132 PRO HG2 H 1 1.7820 0.0000 . 2 . . . . A 125 PRO HG1 . 30798 1 1126 . 1 . 1 132 132 PRO HG3 H 1 1.6430 0.0000 . 2 . . . . A 125 PRO HG2 . 30798 1 1127 . 1 . 1 132 132 PRO HD2 H 1 3.2040 0.0000 . 2 . . . . A 125 PRO HD1 . 30798 1 1128 . 1 . 1 132 132 PRO HD3 H 1 3.6090 0.0000 . 2 . . . . A 125 PRO HD2 . 30798 1 1129 . 1 . 1 132 132 PRO CA C 13 61.5710 0.0000 . 1 . . . . A 125 PRO CA . 30798 1 1130 . 1 . 1 132 132 PRO CB C 13 32.3650 0.0000 . 1 . . . . A 125 PRO CB . 30798 1 1131 . 1 . 1 132 132 PRO CG C 13 26.5530 0.0000 . 1 . . . . A 125 PRO CG . 30798 1 1132 . 1 . 1 132 132 PRO CD C 13 51.1200 0.0000 . 1 . . . . A 125 PRO CD . 30798 1 1133 . 1 . 1 133 133 LEU HA H 1 4.4080 0.0000 . 1 . . . . A 126 LEU HA . 30798 1 1134 . 1 . 1 133 133 LEU HB2 H 1 1.5550 0.0000 . 2 . . . . A 126 LEU HB1 . 30798 1 1135 . 1 . 1 133 133 LEU HB3 H 1 1.4670 0.0000 . 2 . . . . A 126 LEU HB2 . 30798 1 1136 . 1 . 1 133 133 LEU HD11 H 1 0.8870 0.0000 . 2 . . . . A 126 LEU HD11 . 30798 1 1137 . 1 . 1 133 133 LEU HD12 H 1 0.8870 0.0000 . 2 . . . . A 126 LEU HD12 . 30798 1 1138 . 1 . 1 133 133 LEU HD13 H 1 0.8870 0.0000 . 2 . . . . A 126 LEU HD13 . 30798 1 1139 . 1 . 1 133 133 LEU HD21 H 1 0.9000 0.0000 . 2 . . . . A 126 LEU HD21 . 30798 1 1140 . 1 . 1 133 133 LEU HD22 H 1 0.9000 0.0000 . 2 . . . . A 126 LEU HD22 . 30798 1 1141 . 1 . 1 133 133 LEU HD23 H 1 0.9000 0.0000 . 2 . . . . A 126 LEU HD23 . 30798 1 1142 . 1 . 1 133 133 LEU H H 1 8.1320 0.0000 . 1 . . . . A 126 LEU HN . 30798 1 1143 . 1 . 1 133 133 LEU CA C 13 53.4350 0.0000 . 1 . . . . A 126 LEU CA . 30798 1 1144 . 1 . 1 133 133 LEU CB C 13 41.5130 0.0000 . 1 . . . . A 126 LEU CB . 30798 1 1145 . 1 . 1 133 133 LEU CD1 C 13 24.1680 0.0000 . 2 . . . . A 126 LEU CD1 . 30798 1 1146 . 1 . 1 133 133 LEU CD2 C 13 24.8600 0.0000 . 2 . . . . A 126 LEU CD2 . 30798 1 1147 . 1 . 1 133 133 LEU N N 15 121.6740 0.0000 . 1 . . . . A 126 LEU N . 30798 1 1148 . 1 . 1 134 134 PRO HA H 1 4.3830 0.0000 . 1 . . . . A 127 PRO HA . 30798 1 1149 . 1 . 1 134 134 PRO HB2 H 1 1.9290 0.0000 . 2 . . . . A 127 PRO HB1 . 30798 1 1150 . 1 . 1 134 134 PRO HB3 H 1 2.2900 0.0000 . 2 . . . . A 127 PRO HB2 . 30798 1 1151 . 1 . 1 134 134 PRO HG2 H 1 2.0680 0.0000 . 2 . . . . A 127 PRO HG1 . 30798 1 1152 . 1 . 1 134 134 PRO HG3 H 1 2.0050 0.0000 . 2 . . . . A 127 PRO HG2 . 30798 1 1153 . 1 . 1 134 134 PRO HD2 H 1 3.6330 0.0000 . 2 . . . . A 127 PRO HD1 . 30798 1 1154 . 1 . 1 134 134 PRO HD3 H 1 3.8190 0.0000 . 2 . . . . A 127 PRO HD2 . 30798 1 1155 . 1 . 1 134 134 PRO CA C 13 63.4940 0.0000 . 1 . . 150175 . A 127 PRO CA . 30798 1 1156 . 1 . 1 134 134 PRO CB C 13 31.9920 0.0000 . 1 . . . . A 127 PRO CB . 30798 1 1157 . 1 . 1 134 134 PRO CG C 13 27.5850 0.0000 . 1 . . . . A 127 PRO CG . 30798 1 1158 . 1 . 1 134 134 PRO CD C 13 50.6850 0.0000 . 1 . . . . A 127 PRO CD . 30798 1 1159 . 1 . 1 135 135 GLY HA2 H 1 3.9000 0.0000 . 2 . . . . A 128 GLY HA1 . 30798 1 1160 . 1 . 1 135 135 GLY H H 1 8.4370 0.0000 . 1 . . 150174 . A 128 GLY HN . 30798 1 1161 . 1 . 1 135 135 GLY CA C 13 45.3500 0.0000 . 1 . . 150184 . A 128 GLY CA . 30798 1 1162 . 1 . 1 135 135 GLY N N 15 109.8540 0.0000 . 1 . . 150176 . A 128 GLY N . 30798 1 1163 . 1 . 1 136 136 ALA HA H 1 4.3520 0.0000 . 1 . . . . A 129 ALA HA . 30798 1 1164 . 1 . 1 136 136 ALA HB1 H 1 1.4030 0.0000 . 1 . . . . A 129 ALA HB1 . 30798 1 1165 . 1 . 1 136 136 ALA HB2 H 1 1.4030 0.0000 . 1 . . . . A 129 ALA HB2 . 30798 1 1166 . 1 . 1 136 136 ALA HB3 H 1 1.4030 0.0000 . 1 . . . . A 129 ALA HB3 . 30798 1 1167 . 1 . 1 136 136 ALA H H 1 7.9720 0.0000 . 1 . . 149906 . A 129 ALA HN . 30798 1 1168 . 1 . 1 136 136 ALA CA C 13 52.4080 0.0000 . 1 . . 137584 . A 129 ALA CA . 30798 1 1169 . 1 . 1 136 136 ALA CB C 13 19.7470 0.0000 . 1 . . 150044 . A 129 ALA CB . 30798 1 1170 . 1 . 1 136 136 ALA N N 15 123.5300 0.0000 . 1 . . 149908 . A 129 ALA N . 30798 1 1171 . 1 . 1 137 137 VAL HA H 1 4.1290 0.0000 . 1 . . . . A 130 VAL HA . 30798 1 1172 . 1 . 1 137 137 VAL HB H 1 2.0800 0.0000 . 1 . . . . A 130 VAL HB . 30798 1 1173 . 1 . 1 137 137 VAL HG21 H 1 0.9530 0.0000 . 2 . . . . A 130 VAL HG21 . 30798 1 1174 . 1 . 1 137 137 VAL HG22 H 1 0.9530 0.0000 . 2 . . . . A 130 VAL HG22 . 30798 1 1175 . 1 . 1 137 137 VAL HG23 H 1 0.9530 0.0000 . 2 . . . . A 130 VAL HG23 . 30798 1 1176 . 1 . 1 137 137 VAL H H 1 8.1660 0.0000 . 1 . . 137622 . A 130 VAL HN . 30798 1 1177 . 1 . 1 137 137 VAL CA C 13 62.2420 0.0000 . 1 . . 137257 . A 130 VAL CA . 30798 1 1178 . 1 . 1 137 137 VAL CB C 13 32.6520 0.0000 . 1 . . 142103 . A 130 VAL CB . 30798 1 1179 . 1 . 1 137 137 VAL CG2 C 13 20.5100 0.0000 . 2 . . . . A 130 VAL CG2 . 30798 1 1180 . 1 . 1 137 137 VAL N N 15 120.1850 0.0000 . 1 . . 137624 . A 130 VAL N . 30798 1 1181 . 1 . 1 138 138 LEU HA H 1 4.2360 0.0000 . 1 . . . . A 131 LEU HA . 30798 1 1182 . 1 . 1 138 138 LEU HB2 H 1 1.6070 0.0000 . 2 . . . . A 131 LEU HB1 . 30798 1 1183 . 1 . 1 138 138 LEU HG H 1 0.9600 0.0000 . 1 . . . . A 131 LEU HG . 30798 1 1184 . 1 . 1 138 138 LEU HD11 H 1 0.8850 0.0000 . 2 . . . . A 131 LEU HD11 . 30798 1 1185 . 1 . 1 138 138 LEU HD12 H 1 0.8850 0.0000 . 2 . . . . A 131 LEU HD12 . 30798 1 1186 . 1 . 1 138 138 LEU HD13 H 1 0.8850 0.0000 . 2 . . . . A 131 LEU HD13 . 30798 1 1187 . 1 . 1 138 138 LEU H H 1 7.9340 0.0000 . 1 . . 137268 . A 131 LEU HN . 30798 1 1188 . 1 . 1 138 138 LEU CA C 13 56.5690 0.0000 . 1 . . 137917 . A 131 LEU CA . 30798 1 1189 . 1 . 1 138 138 LEU CB C 13 43.4840 0.0000 . 1 . . 137932 . A 131 LEU CB . 30798 1 1190 . 1 . 1 138 138 LEU CG C 13 25.9170 0.0000 . 1 . . . . A 131 LEU CG . 30798 1 1191 . 1 . 1 138 138 LEU CD1 C 13 24.0720 0.0000 . 2 . . . . A 131 LEU CD1 . 30798 1 1192 . 1 . 1 138 138 LEU N N 15 131.9740 0.0000 . 1 . . 137270 . A 131 LEU N . 30798 1 stop_ save_