data_36341 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36341 _Entry.Title ; N-terminal domain (NTD) Solution structure of aciniform spidroin (AcSpN) from Nephila antipodiana. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-08 _Entry.Accession_date 2020-05-07 _Entry.Last_release_date 2020-05-07 _Entry.Original_release_date 2020-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36341 stop_ 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 J. Fan J. S. . . 36341 2 D. Yang D. W. . . 36341 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'N-terminal domain' . 36341 'STRUCTURAL PROTEIN' . 36341 spidroin . 36341 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36341 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 85 36341 '15N chemical shifts' 144 36341 '1H chemical shifts' 824 36341 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 . . 2023-02-23 . original BMRB . 36341 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7BUT 'BMRB Entry Tracking System' 36341 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36341 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32586030 _Citation.DOI 10.3390/ijms21124466 _Citation.Full_citation . _Citation.Title ; Structural Basis of Oligomerization of N-Terminal Domain of Spider Aciniform Silk Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International Journal of Molecular Sciences' _Citation.Journal_volume 21 _Citation.Journal_issue 12 _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 4466 _Citation.Page_last 4466 _Citation.Year 2020 _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 Rusha Chakraborty R. . . . 36341 1 2 Jing-Song Fan J. S. . . 36341 1 3 'Chong Cheong' Lai C. C. . . 36341 1 4 'Palur Venkata' Raghuvamsi P. V. . . 36341 1 5 'Pin Xuan' Chee P. X. . . 36341 1 6 'Ganesh Srinivasan' Anand G. S. . . 36341 1 7 Daiwen Yang D. . . . 36341 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36341 _Assembly.ID 1 _Assembly.Name 'Aciniform Spidroin' _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 entity_1 1 $entity_1 A A yes . . . . . . 36341 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36341 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Aciniform Spidroin' _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 ; GSMSSKSPWANPKKANAFMK CLIQKISVSPVFPQQEKEDM ESIVETMMSAISGVSTSRGS SEATLQAMNMAFASSMAELV IAEDVNNPDSIAEKTEALSQ ALKQCFRSTMGTVNRQFITE IKHLMTMFAAEAAQEAAAGD NE ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15318.378 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 GLY . 36341 1 2 2 SER . 36341 1 3 3 MET . 36341 1 4 4 SER . 36341 1 5 5 SER . 36341 1 6 6 LYS . 36341 1 7 7 SER . 36341 1 8 8 PRO . 36341 1 9 9 TRP . 36341 1 10 10 ALA . 36341 1 11 11 ASN . 36341 1 12 12 PRO . 36341 1 13 13 LYS . 36341 1 14 14 LYS . 36341 1 15 15 ALA . 36341 1 16 16 ASN . 36341 1 17 17 ALA . 36341 1 18 18 PHE . 36341 1 19 19 MET . 36341 1 20 20 LYS . 36341 1 21 21 CYS . 36341 1 22 22 LEU . 36341 1 23 23 ILE . 36341 1 24 24 GLN . 36341 1 25 25 LYS . 36341 1 26 26 ILE . 36341 1 27 27 SER . 36341 1 28 28 VAL . 36341 1 29 29 SER . 36341 1 30 30 PRO . 36341 1 31 31 VAL . 36341 1 32 32 PHE . 36341 1 33 33 PRO . 36341 1 34 34 GLN . 36341 1 35 35 GLN . 36341 1 36 36 GLU . 36341 1 37 37 LYS . 36341 1 38 38 GLU . 36341 1 39 39 ASP . 36341 1 40 40 MET . 36341 1 41 41 GLU . 36341 1 42 42 SER . 36341 1 43 43 ILE . 36341 1 44 44 VAL . 36341 1 45 45 GLU . 36341 1 46 46 THR . 36341 1 47 47 MET . 36341 1 48 48 MET . 36341 1 49 49 SER . 36341 1 50 50 ALA . 36341 1 51 51 ILE . 36341 1 52 52 SER . 36341 1 53 53 GLY . 36341 1 54 54 VAL . 36341 1 55 55 SER . 36341 1 56 56 THR . 36341 1 57 57 SER . 36341 1 58 58 ARG . 36341 1 59 59 GLY . 36341 1 60 60 SER . 36341 1 61 61 SER . 36341 1 62 62 GLU . 36341 1 63 63 ALA . 36341 1 64 64 THR . 36341 1 65 65 LEU . 36341 1 66 66 GLN . 36341 1 67 67 ALA . 36341 1 68 68 MET . 36341 1 69 69 ASN . 36341 1 70 70 MET . 36341 1 71 71 ALA . 36341 1 72 72 PHE . 36341 1 73 73 ALA . 36341 1 74 74 SER . 36341 1 75 75 SER . 36341 1 76 76 MET . 36341 1 77 77 ALA . 36341 1 78 78 GLU . 36341 1 79 79 LEU . 36341 1 80 80 VAL . 36341 1 81 81 ILE . 36341 1 82 82 ALA . 36341 1 83 83 GLU . 36341 1 84 84 ASP . 36341 1 85 85 VAL . 36341 1 86 86 ASN . 36341 1 87 87 ASN . 36341 1 88 88 PRO . 36341 1 89 89 ASP . 36341 1 90 90 SER . 36341 1 91 91 ILE . 36341 1 92 92 ALA . 36341 1 93 93 GLU . 36341 1 94 94 LYS . 36341 1 95 95 THR . 36341 1 96 96 GLU . 36341 1 97 97 ALA . 36341 1 98 98 LEU . 36341 1 99 99 SER . 36341 1 100 100 GLN . 36341 1 101 101 ALA . 36341 1 102 102 LEU . 36341 1 103 103 LYS . 36341 1 104 104 GLN . 36341 1 105 105 CYS . 36341 1 106 106 PHE . 36341 1 107 107 ARG . 36341 1 108 108 SER . 36341 1 109 109 THR . 36341 1 110 110 MET . 36341 1 111 111 GLY . 36341 1 112 112 THR . 36341 1 113 113 VAL . 36341 1 114 114 ASN . 36341 1 115 115 ARG . 36341 1 116 116 GLN . 36341 1 117 117 PHE . 36341 1 118 118 ILE . 36341 1 119 119 THR . 36341 1 120 120 GLU . 36341 1 121 121 ILE . 36341 1 122 122 LYS . 36341 1 123 123 HIS . 36341 1 124 124 LEU . 36341 1 125 125 MET . 36341 1 126 126 THR . 36341 1 127 127 MET . 36341 1 128 128 PHE . 36341 1 129 129 ALA . 36341 1 130 130 ALA . 36341 1 131 131 GLU . 36341 1 132 132 ALA . 36341 1 133 133 ALA . 36341 1 134 134 GLN . 36341 1 135 135 GLU . 36341 1 136 136 ALA . 36341 1 137 137 ALA . 36341 1 138 138 ALA . 36341 1 139 139 GLY . 36341 1 140 140 ASP . 36341 1 141 141 ASN . 36341 1 142 142 GLU . 36341 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 36341 1 . SER 2 2 36341 1 . MET 3 3 36341 1 . SER 4 4 36341 1 . SER 5 5 36341 1 . LYS 6 6 36341 1 . SER 7 7 36341 1 . PRO 8 8 36341 1 . TRP 9 9 36341 1 . ALA 10 10 36341 1 . ASN 11 11 36341 1 . PRO 12 12 36341 1 . LYS 13 13 36341 1 . LYS 14 14 36341 1 . ALA 15 15 36341 1 . ASN 16 16 36341 1 . ALA 17 17 36341 1 . PHE 18 18 36341 1 . MET 19 19 36341 1 . LYS 20 20 36341 1 . CYS 21 21 36341 1 . LEU 22 22 36341 1 . ILE 23 23 36341 1 . GLN 24 24 36341 1 . LYS 25 25 36341 1 . ILE 26 26 36341 1 . SER 27 27 36341 1 . VAL 28 28 36341 1 . SER 29 29 36341 1 . PRO 30 30 36341 1 . VAL 31 31 36341 1 . PHE 32 32 36341 1 . PRO 33 33 36341 1 . GLN 34 34 36341 1 . GLN 35 35 36341 1 . GLU 36 36 36341 1 . LYS 37 37 36341 1 . GLU 38 38 36341 1 . ASP 39 39 36341 1 . MET 40 40 36341 1 . GLU 41 41 36341 1 . SER 42 42 36341 1 . ILE 43 43 36341 1 . VAL 44 44 36341 1 . GLU 45 45 36341 1 . THR 46 46 36341 1 . MET 47 47 36341 1 . MET 48 48 36341 1 . SER 49 49 36341 1 . ALA 50 50 36341 1 . ILE 51 51 36341 1 . SER 52 52 36341 1 . GLY 53 53 36341 1 . VAL 54 54 36341 1 . SER 55 55 36341 1 . THR 56 56 36341 1 . SER 57 57 36341 1 . ARG 58 58 36341 1 . GLY 59 59 36341 1 . SER 60 60 36341 1 . SER 61 61 36341 1 . GLU 62 62 36341 1 . ALA 63 63 36341 1 . THR 64 64 36341 1 . LEU 65 65 36341 1 . GLN 66 66 36341 1 . ALA 67 67 36341 1 . MET 68 68 36341 1 . ASN 69 69 36341 1 . MET 70 70 36341 1 . ALA 71 71 36341 1 . PHE 72 72 36341 1 . ALA 73 73 36341 1 . SER 74 74 36341 1 . SER 75 75 36341 1 . MET 76 76 36341 1 . ALA 77 77 36341 1 . GLU 78 78 36341 1 . LEU 79 79 36341 1 . VAL 80 80 36341 1 . ILE 81 81 36341 1 . ALA 82 82 36341 1 . GLU 83 83 36341 1 . ASP 84 84 36341 1 . VAL 85 85 36341 1 . ASN 86 86 36341 1 . ASN 87 87 36341 1 . PRO 88 88 36341 1 . ASP 89 89 36341 1 . SER 90 90 36341 1 . ILE 91 91 36341 1 . ALA 92 92 36341 1 . GLU 93 93 36341 1 . LYS 94 94 36341 1 . THR 95 95 36341 1 . GLU 96 96 36341 1 . ALA 97 97 36341 1 . LEU 98 98 36341 1 . SER 99 99 36341 1 . GLN 100 100 36341 1 . ALA 101 101 36341 1 . LEU 102 102 36341 1 . LYS 103 103 36341 1 . GLN 104 104 36341 1 . CYS 105 105 36341 1 . PHE 106 106 36341 1 . ARG 107 107 36341 1 . SER 108 108 36341 1 . THR 109 109 36341 1 . MET 110 110 36341 1 . GLY 111 111 36341 1 . THR 112 112 36341 1 . VAL 113 113 36341 1 . ASN 114 114 36341 1 . ARG 115 115 36341 1 . GLN 116 116 36341 1 . PHE 117 117 36341 1 . ILE 118 118 36341 1 . THR 119 119 36341 1 . GLU 120 120 36341 1 . ILE 121 121 36341 1 . LYS 122 122 36341 1 . HIS 123 123 36341 1 . LEU 124 124 36341 1 . MET 125 125 36341 1 . THR 126 126 36341 1 . MET 127 127 36341 1 . PHE 128 128 36341 1 . ALA 129 129 36341 1 . ALA 130 130 36341 1 . GLU 131 131 36341 1 . ALA 132 132 36341 1 . ALA 133 133 36341 1 . GLN 134 134 36341 1 . GLU 135 135 36341 1 . ALA 136 136 36341 1 . ALA 137 137 36341 1 . ALA 138 138 36341 1 . GLY 139 139 36341 1 . ASP 140 140 36341 1 . ASN 141 141 36341 1 . GLU 142 142 36341 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 36341 _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 . 171624 organism . 'Nephila antipodiana' 'Nephila antipodiana' . . Eukaryota Metazoa Nephila antipodiana . . . . . . . . . . . . . 36341 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 36341 _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' . . 562 Escherichia coli . . . . . . . . . . 36341 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36341 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] NTD, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NTD '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM 0.1 . . . 36341 1 2 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36341 1 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36341 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36341 _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' 500 1 mM 36341 1 pH 7.0 0.1 pH 36341 1 pressure 1 0.1 atm 36341 1 temperature 298 0.1 K 36341 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36341 _Software.ID 1 _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' . . 36341 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36341 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36341 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36341 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36341 2 'peak picking' . 36341 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36341 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.53 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36341 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36341 3 'structure calculation' . 36341 3 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 36341 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36341 _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 Bruker AVANCE . 800 . . . 36341 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 36341 _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' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36341 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36341 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36341 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36341 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36341 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36341 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 36341 _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 . . . . . 36341 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36341 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36341 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 36341 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36341 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36341 1 3 '3D HNCACB' 1 $sample_1 isotropic 36341 1 4 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36341 1 5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36341 1 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36341 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 MET HE1 H 1 2.109 0.00 . 1 . . . . A 3 MET HE1 . 36341 1 2 . 1 . 1 3 3 MET HE2 H 1 2.109 0.00 . 1 . . . . A 3 MET HE2 . 36341 1 3 . 1 . 1 3 3 MET HE3 H 1 2.109 0.00 . 1 . . . . A 3 MET HE3 . 36341 1 4 . 1 . 1 3 3 MET CE C 13 17.135 0.00 . 1 . . . . A 3 MET CE . 36341 1 5 . 1 . 1 5 5 SER HA H 1 3.910 0.00 . 1 . . . . A 5 SER HA . 36341 1 6 . 1 . 1 5 5 SER HB2 H 1 3.819 0.00 . 2 . . . . A 5 SER HB2 . 36341 1 7 . 1 . 1 6 6 LYS H H 1 8.016 0.00 . 1 . . . . A 6 LYS H . 36341 1 8 . 1 . 1 6 6 LYS HA H 1 4.282 0.00 . 1 . . . . A 6 LYS HA . 36341 1 9 . 1 . 1 6 6 LYS HB2 H 1 1.787 0.00 . 2 . . . . A 6 LYS HB2 . 36341 1 10 . 1 . 1 6 6 LYS HB3 H 1 1.654 0.00 . 2 . . . . A 6 LYS HB3 . 36341 1 11 . 1 . 1 6 6 LYS HG2 H 1 1.447 0.00 . 2 . . . . A 6 LYS HG2 . 36341 1 12 . 1 . 1 6 6 LYS HG3 H 1 1.372 0.00 . 2 . . . . A 6 LYS HG3 . 36341 1 13 . 1 . 1 6 6 LYS N N 15 121.570 0.04 . 1 . . . . A 6 LYS N . 36341 1 14 . 1 . 1 7 7 SER H H 1 7.807 0.00 . 1 . . . . A 7 SER H . 36341 1 15 . 1 . 1 7 7 SER HA H 1 4.415 0.01 . 1 . . . . A 7 SER HA . 36341 1 16 . 1 . 1 7 7 SER HB2 H 1 3.931 0.00 . 2 . . . . A 7 SER HB2 . 36341 1 17 . 1 . 1 7 7 SER HB3 H 1 3.528 0.00 . 2 . . . . A 7 SER HB3 . 36341 1 18 . 1 . 1 7 7 SER N N 15 114.633 0.02 . 1 . . . . A 7 SER N . 36341 1 19 . 1 . 1 8 8 PRO HA H 1 3.820 0.00 . 1 . . . . A 8 PRO HA . 36341 1 20 . 1 . 1 8 8 PRO HB2 H 1 0.233 0.00 . 2 . . . . A 8 PRO HB2 . 36341 1 21 . 1 . 1 8 8 PRO HB3 H 1 0.643 0.00 . 2 . . . . A 8 PRO HB3 . 36341 1 22 . 1 . 1 8 8 PRO HG2 H 1 -0.798 0.00 . 2 . . . . A 8 PRO HG2 . 36341 1 23 . 1 . 1 8 8 PRO HG3 H 1 -0.304 0.00 . 2 . . . . A 8 PRO HG3 . 36341 1 24 . 1 . 1 9 9 TRP H H 1 7.091 0.00 . 1 . . . . A 9 TRP H . 36341 1 25 . 1 . 1 9 9 TRP HA H 1 4.790 0.00 . 1 . . . . A 9 TRP HA . 36341 1 26 . 1 . 1 9 9 TRP HB2 H 1 3.467 0.01 . 2 . . . . A 9 TRP HB2 . 36341 1 27 . 1 . 1 9 9 TRP HB3 H 1 2.864 0.00 . 2 . . . . A 9 TRP HB3 . 36341 1 28 . 1 . 1 9 9 TRP HD1 H 1 7.104 0.00 . 1 . . . . A 9 TRP HD1 . 36341 1 29 . 1 . 1 9 9 TRP HE1 H 1 10.398 0.00 . 1 . . . . A 9 TRP HE1 . 36341 1 30 . 1 . 1 9 9 TRP N N 15 112.556 0.02 . 1 . . . . A 9 TRP N . 36341 1 31 . 1 . 1 9 9 TRP NE1 N 15 127.452 0.02 . 1 . . . . A 9 TRP NE1 . 36341 1 32 . 1 . 1 10 10 ALA H H 1 6.965 0.00 . 1 . . . . A 10 ALA H . 36341 1 33 . 1 . 1 10 10 ALA HA H 1 4.064 0.01 . 1 . . . . A 10 ALA HA . 36341 1 34 . 1 . 1 10 10 ALA HB1 H 1 1.477 0.01 . 1 . . . . A 10 ALA HB1 . 36341 1 35 . 1 . 1 10 10 ALA HB2 H 1 1.477 0.01 . 1 . . . . A 10 ALA HB2 . 36341 1 36 . 1 . 1 10 10 ALA HB3 H 1 1.477 0.01 . 1 . . . . A 10 ALA HB3 . 36341 1 37 . 1 . 1 10 10 ALA CB C 13 19.643 0.01 . 1 . . . . A 10 ALA CB . 36341 1 38 . 1 . 1 10 10 ALA N N 15 116.782 0.07 . 1 . . . . A 10 ALA N . 36341 1 39 . 1 . 1 11 11 ASN H H 1 7.560 0.00 . 1 . . . . A 11 ASN H . 36341 1 40 . 1 . 1 11 11 ASN HA H 1 5.176 0.00 . 1 . . . . A 11 ASN HA . 36341 1 41 . 1 . 1 11 11 ASN HB2 H 1 2.926 0.00 . 2 . . . . A 11 ASN HB2 . 36341 1 42 . 1 . 1 11 11 ASN HB3 H 1 2.822 0.00 . 2 . . . . A 11 ASN HB3 . 36341 1 43 . 1 . 1 11 11 ASN HD22 H 1 7.188 0.00 . 2 . . . . A 11 ASN HD22 . 36341 1 44 . 1 . 1 11 11 ASN N N 15 113.608 0.02 . 1 . . . . A 11 ASN N . 36341 1 45 . 1 . 1 11 11 ASN ND2 N 15 114.756 0.02 . 1 . . . . A 11 ASN ND2 . 36341 1 46 . 1 . 1 12 12 PRO HA H 1 4.203 0.00 . 1 . . . . A 12 PRO HA . 36341 1 47 . 1 . 1 12 12 PRO HB2 H 1 2.375 0.00 . 2 . . . . A 12 PRO HB2 . 36341 1 48 . 1 . 1 12 12 PRO HG2 H 1 2.076 0.00 . 2 . . . . A 12 PRO HG2 . 36341 1 49 . 1 . 1 13 13 LYS H H 1 7.935 0.00 . 1 . . . . A 13 LYS H . 36341 1 50 . 1 . 1 13 13 LYS HA H 1 4.184 0.00 . 1 . . . . A 13 LYS HA . 36341 1 51 . 1 . 1 13 13 LYS HB2 H 1 1.971 0.00 . 2 . . . . A 13 LYS HB2 . 36341 1 52 . 1 . 1 13 13 LYS HB3 H 1 1.925 0.00 . 2 . . . . A 13 LYS HB3 . 36341 1 53 . 1 . 1 13 13 LYS HG2 H 1 1.592 0.01 . 2 . . . . A 13 LYS HG2 . 36341 1 54 . 1 . 1 13 13 LYS HG3 H 1 1.464 0.01 . 2 . . . . A 13 LYS HG3 . 36341 1 55 . 1 . 1 13 13 LYS HD3 H 1 1.751 0.00 . 2 . . . . A 13 LYS HD3 . 36341 1 56 . 1 . 1 13 13 LYS N N 15 117.710 0.02 . 1 . . . . A 13 LYS N . 36341 1 57 . 1 . 1 14 14 LYS H H 1 7.689 0.00 . 1 . . . . A 14 LYS H . 36341 1 58 . 1 . 1 14 14 LYS HA H 1 4.122 0.01 . 1 . . . . A 14 LYS HA . 36341 1 59 . 1 . 1 14 14 LYS HB2 H 1 1.987 0.01 . 2 . . . . A 14 LYS HB2 . 36341 1 60 . 1 . 1 14 14 LYS HB3 H 1 1.728 0.00 . 2 . . . . A 14 LYS HB3 . 36341 1 61 . 1 . 1 14 14 LYS HG2 H 1 1.520 0.01 . 2 . . . . A 14 LYS HG2 . 36341 1 62 . 1 . 1 14 14 LYS HG3 H 1 1.401 0.00 . 2 . . . . A 14 LYS HG3 . 36341 1 63 . 1 . 1 14 14 LYS HE2 H 1 2.976 0.00 . 2 . . . . A 14 LYS HE2 . 36341 1 64 . 1 . 1 14 14 LYS HE3 H 1 2.822 0.00 . 2 . . . . A 14 LYS HE3 . 36341 1 65 . 1 . 1 14 14 LYS N N 15 120.799 0.02 . 1 . . . . A 14 LYS N . 36341 1 66 . 1 . 1 15 15 ALA H H 1 8.596 0.00 . 1 . . . . A 15 ALA H . 36341 1 67 . 1 . 1 15 15 ALA HA H 1 3.936 0.00 . 1 . . . . A 15 ALA HA . 36341 1 68 . 1 . 1 15 15 ALA HB1 H 1 1.717 0.00 . 1 . . . . A 15 ALA HB1 . 36341 1 69 . 1 . 1 15 15 ALA HB2 H 1 1.717 0.00 . 1 . . . . A 15 ALA HB2 . 36341 1 70 . 1 . 1 15 15 ALA HB3 H 1 1.717 0.00 . 1 . . . . A 15 ALA HB3 . 36341 1 71 . 1 . 1 15 15 ALA CB C 13 19.177 0.01 . 1 . . . . A 15 ALA CB . 36341 1 72 . 1 . 1 15 15 ALA N N 15 122.782 0.02 . 1 . . . . A 15 ALA N . 36341 1 73 . 1 . 1 16 16 ASN H H 1 8.172 0.00 . 1 . . . . A 16 ASN H . 36341 1 74 . 1 . 1 16 16 ASN HA H 1 4.380 0.00 . 1 . . . . A 16 ASN HA . 36341 1 75 . 1 . 1 16 16 ASN HB2 H 1 2.998 0.00 . 2 . . . . A 16 ASN HB2 . 36341 1 76 . 1 . 1 16 16 ASN HB3 H 1 2.836 0.01 . 2 . . . . A 16 ASN HB3 . 36341 1 77 . 1 . 1 16 16 ASN HD21 H 1 7.277 0.00 . 2 . . . . A 16 ASN HD21 . 36341 1 78 . 1 . 1 16 16 ASN HD22 H 1 7.054 0.00 . 2 . . . . A 16 ASN HD22 . 36341 1 79 . 1 . 1 16 16 ASN N N 15 116.026 0.02 . 1 . . . . A 16 ASN N . 36341 1 80 . 1 . 1 16 16 ASN ND2 N 15 110.823 0.00 . 1 . . . . A 16 ASN ND2 . 36341 1 81 . 1 . 1 17 17 ALA H H 1 7.634 0.00 . 1 . . . . A 17 ALA H . 36341 1 82 . 1 . 1 17 17 ALA HA H 1 4.096 0.00 . 1 . . . . A 17 ALA HA . 36341 1 83 . 1 . 1 17 17 ALA HB1 H 1 1.593 0.00 . 1 . . . . A 17 ALA HB1 . 36341 1 84 . 1 . 1 17 17 ALA HB2 H 1 1.593 0.00 . 1 . . . . A 17 ALA HB2 . 36341 1 85 . 1 . 1 17 17 ALA HB3 H 1 1.593 0.00 . 1 . . . . A 17 ALA HB3 . 36341 1 86 . 1 . 1 17 17 ALA CB C 13 18.225 0.01 . 1 . . . . A 17 ALA CB . 36341 1 87 . 1 . 1 17 17 ALA N N 15 121.101 0.02 . 1 . . . . A 17 ALA N . 36341 1 88 . 1 . 1 18 18 PHE H H 1 8.939 0.00 . 1 . . . . A 18 PHE H . 36341 1 89 . 1 . 1 18 18 PHE HA H 1 4.083 0.01 . 1 . . . . A 18 PHE HA . 36341 1 90 . 1 . 1 18 18 PHE HB2 H 1 3.114 0.00 . 2 . . . . A 18 PHE HB2 . 36341 1 91 . 1 . 1 18 18 PHE HB3 H 1 3.059 0.00 . 2 . . . . A 18 PHE HB3 . 36341 1 92 . 1 . 1 18 18 PHE HD1 H 1 6.673 0.00 . 3 . . . . A 18 PHE HD1 . 36341 1 93 . 1 . 1 18 18 PHE HE1 H 1 6.754 0.00 . 3 . . . . A 18 PHE HE1 . 36341 1 94 . 1 . 1 18 18 PHE HZ H 1 7.390 0.01 . 1 . . . . A 18 PHE HZ . 36341 1 95 . 1 . 1 18 18 PHE CD1 C 13 131.169 0.03 . 3 . . . . A 18 PHE CD1 . 36341 1 96 . 1 . 1 18 18 PHE N N 15 121.581 0.02 . 1 . . . . A 18 PHE N . 36341 1 97 . 1 . 1 19 19 MET H H 1 8.512 0.00 . 1 . . . . A 19 MET H . 36341 1 98 . 1 . 1 19 19 MET HA H 1 4.193 0.00 . 1 . . . . A 19 MET HA . 36341 1 99 . 1 . 1 19 19 MET HB2 H 1 2.449 0.00 . 2 . . . . A 19 MET HB2 . 36341 1 100 . 1 . 1 19 19 MET HB3 H 1 2.890 0.00 . 2 . . . . A 19 MET HB3 . 36341 1 101 . 1 . 1 19 19 MET HE1 H 1 2.075 0.01 . 1 . . . . A 19 MET HE1 . 36341 1 102 . 1 . 1 19 19 MET HE2 H 1 2.075 0.01 . 1 . . . . A 19 MET HE2 . 36341 1 103 . 1 . 1 19 19 MET HE3 H 1 2.075 0.01 . 1 . . . . A 19 MET HE3 . 36341 1 104 . 1 . 1 19 19 MET CE C 13 16.918 0.01 . 1 . . . . A 19 MET CE . 36341 1 105 . 1 . 1 19 19 MET N N 15 116.996 0.02 . 1 . . . . A 19 MET N . 36341 1 106 . 1 . 1 20 20 LYS H H 1 8.517 0.00 . 1 . . . . A 20 LYS H . 36341 1 107 . 1 . 1 20 20 LYS HA H 1 3.921 0.00 . 1 . . . . A 20 LYS HA . 36341 1 108 . 1 . 1 20 20 LYS HB2 H 1 1.878 0.00 . 2 . . . . A 20 LYS HB2 . 36341 1 109 . 1 . 1 20 20 LYS HB3 H 1 1.839 0.00 . 2 . . . . A 20 LYS HB3 . 36341 1 110 . 1 . 1 20 20 LYS HG2 H 1 1.651 0.01 . 2 . . . . A 20 LYS HG2 . 36341 1 111 . 1 . 1 20 20 LYS N N 15 118.812 0.03 . 1 . . . . A 20 LYS N . 36341 1 112 . 1 . 1 21 21 CYS H H 1 7.852 0.00 . 1 . . . . A 21 CYS H . 36341 1 113 . 1 . 1 21 21 CYS HA H 1 4.198 0.01 . 1 . . . . A 21 CYS HA . 36341 1 114 . 1 . 1 21 21 CYS HB2 H 1 3.419 0.01 . 2 . . . . A 21 CYS HB2 . 36341 1 115 . 1 . 1 21 21 CYS HB3 H 1 3.026 0.00 . 2 . . . . A 21 CYS HB3 . 36341 1 116 . 1 . 1 21 21 CYS N N 15 119.440 0.03 . 1 . . . . A 21 CYS N . 36341 1 117 . 1 . 1 22 22 LEU H H 1 8.056 0.00 . 1 . . . . A 22 LEU H . 36341 1 118 . 1 . 1 22 22 LEU HA H 1 3.718 0.01 . 1 . . . . A 22 LEU HA . 36341 1 119 . 1 . 1 22 22 LEU HB2 H 1 1.647 0.00 . 1 . . . . A 22 LEU HB2 . 36341 1 120 . 1 . 1 22 22 LEU HG H 1 1.359 0.00 . 1 . . . . A 22 LEU HG . 36341 1 121 . 1 . 1 22 22 LEU HD11 H 1 0.896 0.00 . 2 . . . . A 22 LEU HD11 . 36341 1 122 . 1 . 1 22 22 LEU HD12 H 1 0.896 0.00 . 2 . . . . A 22 LEU HD12 . 36341 1 123 . 1 . 1 22 22 LEU HD13 H 1 0.896 0.00 . 2 . . . . A 22 LEU HD13 . 36341 1 124 . 1 . 1 22 22 LEU HD21 H 1 0.774 0.00 . 2 . . . . A 22 LEU HD21 . 36341 1 125 . 1 . 1 22 22 LEU HD22 H 1 0.774 0.00 . 2 . . . . A 22 LEU HD22 . 36341 1 126 . 1 . 1 22 22 LEU HD23 H 1 0.774 0.00 . 2 . . . . A 22 LEU HD23 . 36341 1 127 . 1 . 1 22 22 LEU CD1 C 13 25.702 0.03 . 2 . . . . A 22 LEU CD1 . 36341 1 128 . 1 . 1 22 22 LEU CD2 C 13 24.984 0.01 . 2 . . . . A 22 LEU CD2 . 36341 1 129 . 1 . 1 22 22 LEU N N 15 122.824 0.03 . 1 . . . . A 22 LEU N . 36341 1 130 . 1 . 1 23 23 ILE H H 1 8.229 0.01 . 1 . . . . A 23 ILE H . 36341 1 131 . 1 . 1 23 23 ILE HA H 1 3.683 0.01 . 1 . . . . A 23 ILE HA . 36341 1 132 . 1 . 1 23 23 ILE HB H 1 1.948 0.00 . 1 . . . . A 23 ILE HB . 36341 1 133 . 1 . 1 23 23 ILE HG12 H 1 1.534 0.01 . 2 . . . . A 23 ILE HG12 . 36341 1 134 . 1 . 1 23 23 ILE HG13 H 1 1.432 0.01 . 2 . . . . A 23 ILE HG13 . 36341 1 135 . 1 . 1 23 23 ILE HG21 H 1 0.942 0.00 . 1 . . . . A 23 ILE HG21 . 36341 1 136 . 1 . 1 23 23 ILE HG22 H 1 0.942 0.00 . 1 . . . . A 23 ILE HG22 . 36341 1 137 . 1 . 1 23 23 ILE HG23 H 1 0.942 0.00 . 1 . . . . A 23 ILE HG23 . 36341 1 138 . 1 . 1 23 23 ILE HD11 H 1 0.797 0.01 . 1 . . . . A 23 ILE HD11 . 36341 1 139 . 1 . 1 23 23 ILE HD12 H 1 0.797 0.01 . 1 . . . . A 23 ILE HD12 . 36341 1 140 . 1 . 1 23 23 ILE HD13 H 1 0.797 0.01 . 1 . . . . A 23 ILE HD13 . 36341 1 141 . 1 . 1 23 23 ILE CG2 C 13 18.219 0.03 . 1 . . . . A 23 ILE CG2 . 36341 1 142 . 1 . 1 23 23 ILE CD1 C 13 12.726 0.01 . 1 . . . . A 23 ILE CD1 . 36341 1 143 . 1 . 1 23 23 ILE N N 15 116.141 0.03 . 1 . . . . A 23 ILE N . 36341 1 144 . 1 . 1 24 24 GLN H H 1 7.749 0.00 . 1 . . . . A 24 GLN H . 36341 1 145 . 1 . 1 24 24 GLN HA H 1 4.023 0.00 . 1 . . . . A 24 GLN HA . 36341 1 146 . 1 . 1 24 24 GLN HB2 H 1 2.290 0.00 . 2 . . . . A 24 GLN HB2 . 36341 1 147 . 1 . 1 24 24 GLN HB3 H 1 2.217 0.00 . 2 . . . . A 24 GLN HB3 . 36341 1 148 . 1 . 1 24 24 GLN HG2 H 1 2.524 0.00 . 2 . . . . A 24 GLN HG2 . 36341 1 149 . 1 . 1 24 24 GLN HG3 H 1 2.404 0.00 . 2 . . . . A 24 GLN HG3 . 36341 1 150 . 1 . 1 24 24 GLN HE21 H 1 7.369 0.00 . 2 . . . . A 24 GLN HE21 . 36341 1 151 . 1 . 1 24 24 GLN HE22 H 1 6.805 0.00 . 2 . . . . A 24 GLN HE22 . 36341 1 152 . 1 . 1 24 24 GLN N N 15 121.881 0.02 . 1 . . . . A 24 GLN N . 36341 1 153 . 1 . 1 24 24 GLN NE2 N 15 111.701 0.01 . 1 . . . . A 24 GLN NE2 . 36341 1 154 . 1 . 1 25 25 LYS H H 1 8.100 0.00 . 1 . . . . A 25 LYS H . 36341 1 155 . 1 . 1 25 25 LYS HA H 1 4.024 0.00 . 1 . . . . A 25 LYS HA . 36341 1 156 . 1 . 1 25 25 LYS HB2 H 1 2.108 0.00 . 2 . . . . A 25 LYS HB2 . 36341 1 157 . 1 . 1 25 25 LYS HG2 H 1 1.854 0.00 . 2 . . . . A 25 LYS HG2 . 36341 1 158 . 1 . 1 25 25 LYS HG3 H 1 1.602 0.01 . 2 . . . . A 25 LYS HG3 . 36341 1 159 . 1 . 1 25 25 LYS HD2 H 1 1.862 0.01 . 2 . . . . A 25 LYS HD2 . 36341 1 160 . 1 . 1 25 25 LYS HD3 H 1 1.746 0.00 . 2 . . . . A 25 LYS HD3 . 36341 1 161 . 1 . 1 25 25 LYS N N 15 117.921 0.02 . 1 . . . . A 25 LYS N . 36341 1 162 . 1 . 1 26 26 ILE H H 1 8.377 0.00 . 1 . . . . A 26 ILE H . 36341 1 163 . 1 . 1 26 26 ILE HA H 1 3.556 0.00 . 1 . . . . A 26 ILE HA . 36341 1 164 . 1 . 1 26 26 ILE HB H 1 1.641 0.00 . 1 . . . . A 26 ILE HB . 36341 1 165 . 1 . 1 26 26 ILE HG12 H 1 1.273 0.01 . 2 . . . . A 26 ILE HG12 . 36341 1 166 . 1 . 1 26 26 ILE HG13 H 1 0.792 0.00 . 2 . . . . A 26 ILE HG13 . 36341 1 167 . 1 . 1 26 26 ILE HG21 H 1 0.324 0.00 . 1 . . . . A 26 ILE HG21 . 36341 1 168 . 1 . 1 26 26 ILE HG22 H 1 0.324 0.00 . 1 . . . . A 26 ILE HG22 . 36341 1 169 . 1 . 1 26 26 ILE HG23 H 1 0.324 0.00 . 1 . . . . A 26 ILE HG23 . 36341 1 170 . 1 . 1 26 26 ILE HD11 H 1 0.397 0.00 . 1 . . . . A 26 ILE HD11 . 36341 1 171 . 1 . 1 26 26 ILE HD12 H 1 0.397 0.00 . 1 . . . . A 26 ILE HD12 . 36341 1 172 . 1 . 1 26 26 ILE HD13 H 1 0.397 0.00 . 1 . . . . A 26 ILE HD13 . 36341 1 173 . 1 . 1 26 26 ILE CG2 C 13 16.855 0.02 . 1 . . . . A 26 ILE CG2 . 36341 1 174 . 1 . 1 26 26 ILE CD1 C 13 12.338 0.01 . 1 . . . . A 26 ILE CD1 . 36341 1 175 . 1 . 1 26 26 ILE N N 15 119.072 0.02 . 1 . . . . A 26 ILE N . 36341 1 176 . 1 . 1 27 27 SER H H 1 8.065 0.00 . 1 . . . . A 27 SER H . 36341 1 177 . 1 . 1 27 27 SER HA H 1 4.175 0.01 . 1 . . . . A 27 SER HA . 36341 1 178 . 1 . 1 27 27 SER HB2 H 1 4.020 0.01 . 2 . . . . A 27 SER HB2 . 36341 1 179 . 1 . 1 27 27 SER N N 15 114.260 0.02 . 1 . . . . A 27 SER N . 36341 1 180 . 1 . 1 28 28 VAL H H 1 7.047 0.00 . 1 . . . . A 28 VAL H . 36341 1 181 . 1 . 1 28 28 VAL HA H 1 4.565 0.00 . 1 . . . . A 28 VAL HA . 36341 1 182 . 1 . 1 28 28 VAL HB H 1 2.459 0.00 . 1 . . . . A 28 VAL HB . 36341 1 183 . 1 . 1 28 28 VAL HG11 H 1 0.986 0.01 . 2 . . . . A 28 VAL HG11 . 36341 1 184 . 1 . 1 28 28 VAL HG12 H 1 0.986 0.01 . 2 . . . . A 28 VAL HG12 . 36341 1 185 . 1 . 1 28 28 VAL HG13 H 1 0.986 0.01 . 2 . . . . A 28 VAL HG13 . 36341 1 186 . 1 . 1 28 28 VAL HG21 H 1 1.006 0.00 . 2 . . . . A 28 VAL HG21 . 36341 1 187 . 1 . 1 28 28 VAL HG22 H 1 1.006 0.00 . 2 . . . . A 28 VAL HG22 . 36341 1 188 . 1 . 1 28 28 VAL HG23 H 1 1.006 0.00 . 2 . . . . A 28 VAL HG23 . 36341 1 189 . 1 . 1 28 28 VAL CG1 C 13 21.312 0.03 . 2 . . . . A 28 VAL CG1 . 36341 1 190 . 1 . 1 28 28 VAL CG2 C 13 18.999 0.01 . 2 . . . . A 28 VAL CG2 . 36341 1 191 . 1 . 1 28 28 VAL N N 15 111.618 0.03 . 1 . . . . A 28 VAL N . 36341 1 192 . 1 . 1 29 29 SER H H 1 7.502 0.00 . 1 . . . . A 29 SER H . 36341 1 193 . 1 . 1 29 29 SER HA H 1 4.265 0.00 . 1 . . . . A 29 SER HA . 36341 1 194 . 1 . 1 29 29 SER HB2 H 1 4.949 0.00 . 2 . . . . A 29 SER HB2 . 36341 1 195 . 1 . 1 29 29 SER N N 15 118.954 0.05 . 1 . . . . A 29 SER N . 36341 1 196 . 1 . 1 30 30 PRO HA H 1 4.647 0.00 . 1 . . . . A 30 PRO HA . 36341 1 197 . 1 . 1 30 30 PRO HB2 H 1 2.017 0.00 . 2 . . . . A 30 PRO HB2 . 36341 1 198 . 1 . 1 30 30 PRO HB3 H 1 2.136 0.00 . 2 . . . . A 30 PRO HB3 . 36341 1 199 . 1 . 1 30 30 PRO HG2 H 1 2.038 0.00 . 2 . . . . A 30 PRO HG2 . 36341 1 200 . 1 . 1 30 30 PRO HG3 H 1 2.378 0.00 . 2 . . . . A 30 PRO HG3 . 36341 1 201 . 1 . 1 31 31 VAL H H 1 7.539 0.00 . 1 . . . . A 31 VAL H . 36341 1 202 . 1 . 1 31 31 VAL HA H 1 3.989 0.00 . 1 . . . . A 31 VAL HA . 36341 1 203 . 1 . 1 31 31 VAL HB H 1 1.901 0.00 . 1 . . . . A 31 VAL HB . 36341 1 204 . 1 . 1 31 31 VAL HG11 H 1 0.673 0.01 . 2 . . . . A 31 VAL HG11 . 36341 1 205 . 1 . 1 31 31 VAL HG12 H 1 0.673 0.01 . 2 . . . . A 31 VAL HG12 . 36341 1 206 . 1 . 1 31 31 VAL HG13 H 1 0.673 0.01 . 2 . . . . A 31 VAL HG13 . 36341 1 207 . 1 . 1 31 31 VAL HG21 H 1 0.626 0.01 . 2 . . . . A 31 VAL HG21 . 36341 1 208 . 1 . 1 31 31 VAL HG22 H 1 0.626 0.01 . 2 . . . . A 31 VAL HG22 . 36341 1 209 . 1 . 1 31 31 VAL HG23 H 1 0.626 0.01 . 2 . . . . A 31 VAL HG23 . 36341 1 210 . 1 . 1 31 31 VAL CG1 C 13 21.151 0.01 . 2 . . . . A 31 VAL CG1 . 36341 1 211 . 1 . 1 31 31 VAL CG2 C 13 21.912 0.01 . 2 . . . . A 31 VAL CG2 . 36341 1 212 . 1 . 1 31 31 VAL N N 15 113.540 0.03 . 1 . . . . A 31 VAL N . 36341 1 213 . 1 . 1 32 32 PHE H H 1 7.022 0.00 . 1 . . . . A 32 PHE H . 36341 1 214 . 1 . 1 32 32 PHE HA H 1 4.926 0.00 . 1 . . . . A 32 PHE HA . 36341 1 215 . 1 . 1 32 32 PHE HB2 H 1 3.079 0.01 . 2 . . . . A 32 PHE HB2 . 36341 1 216 . 1 . 1 32 32 PHE HB3 H 1 2.877 0.00 . 2 . . . . A 32 PHE HB3 . 36341 1 217 . 1 . 1 32 32 PHE HD1 H 1 7.368 0.01 . 3 . . . . A 32 PHE HD1 . 36341 1 218 . 1 . 1 32 32 PHE HE1 H 1 7.115 0.00 . 3 . . . . A 32 PHE HE1 . 36341 1 219 . 1 . 1 32 32 PHE HZ H 1 6.271 0.00 . 1 . . . . A 32 PHE HZ . 36341 1 220 . 1 . 1 32 32 PHE CD1 C 13 132.585 0.04 . 3 . . . . A 32 PHE CD1 . 36341 1 221 . 1 . 1 32 32 PHE N N 15 117.306 0.03 . 1 . . . . A 32 PHE N . 36341 1 222 . 1 . 1 33 33 PRO HA H 1 4.539 0.00 . 1 . . . . A 33 PRO HA . 36341 1 223 . 1 . 1 33 33 PRO HB2 H 1 2.361 0.00 . 2 . . . . A 33 PRO HB2 . 36341 1 224 . 1 . 1 33 33 PRO HG2 H 1 2.025 0.00 . 2 . . . . A 33 PRO HG2 . 36341 1 225 . 1 . 1 34 34 GLN H H 1 8.653 0.00 . 1 . . . . A 34 GLN H . 36341 1 226 . 1 . 1 34 34 GLN HA H 1 4.167 0.00 . 1 . . . . A 34 GLN HA . 36341 1 227 . 1 . 1 34 34 GLN HB2 H 1 2.114 0.01 . 2 . . . . A 34 GLN HB2 . 36341 1 228 . 1 . 1 34 34 GLN HB3 H 1 2.039 0.01 . 2 . . . . A 34 GLN HB3 . 36341 1 229 . 1 . 1 34 34 GLN HG2 H 1 2.405 0.00 . 1 . . . . A 34 GLN HG2 . 36341 1 230 . 1 . 1 34 34 GLN HE21 H 1 7.708 0.00 . 2 . . . . A 34 GLN HE21 . 36341 1 231 . 1 . 1 34 34 GLN HE22 H 1 6.890 0.00 . 2 . . . . A 34 GLN HE22 . 36341 1 232 . 1 . 1 34 34 GLN N N 15 120.835 0.02 . 1 . . . . A 34 GLN N . 36341 1 233 . 1 . 1 34 34 GLN NE2 N 15 112.859 0.02 . 1 . . . . A 34 GLN NE2 . 36341 1 234 . 1 . 1 35 35 GLN H H 1 8.528 0.01 . 1 . . . . A 35 GLN H . 36341 1 235 . 1 . 1 35 35 GLN HA H 1 4.367 0.01 . 1 . . . . A 35 GLN HA . 36341 1 236 . 1 . 1 35 35 GLN HB2 H 1 2.103 0.00 . 2 . . . . A 35 GLN HB2 . 36341 1 237 . 1 . 1 35 35 GLN HB3 H 1 2.005 0.00 . 2 . . . . A 35 GLN HB3 . 36341 1 238 . 1 . 1 35 35 GLN HG2 H 1 2.426 0.01 . 2 . . . . A 35 GLN HG2 . 36341 1 239 . 1 . 1 35 35 GLN HG3 H 1 2.306 0.00 . 2 . . . . A 35 GLN HG3 . 36341 1 240 . 1 . 1 35 35 GLN HE21 H 1 7.563 0.00 . 2 . . . . A 35 GLN HE21 . 36341 1 241 . 1 . 1 35 35 GLN HE22 H 1 6.817 0.00 . 2 . . . . A 35 GLN HE22 . 36341 1 242 . 1 . 1 35 35 GLN N N 15 120.483 0.03 . 1 . . . . A 35 GLN N . 36341 1 243 . 1 . 1 35 35 GLN NE2 N 15 112.912 0.01 . 1 . . . . A 35 GLN NE2 . 36341 1 244 . 1 . 1 36 36 GLU H H 1 8.560 0.01 . 1 . . . . A 36 GLU H . 36341 1 245 . 1 . 1 36 36 GLU HA H 1 4.372 0.01 . 1 . . . . A 36 GLU HA . 36341 1 246 . 1 . 1 36 36 GLU HB2 H 1 2.001 0.00 . 2 . . . . A 36 GLU HB2 . 36341 1 247 . 1 . 1 36 36 GLU HG2 H 1 2.411 0.00 . 2 . . . . A 36 GLU HG2 . 36341 1 248 . 1 . 1 36 36 GLU N N 15 120.958 0.03 . 1 . . . . A 36 GLU N . 36341 1 249 . 1 . 1 37 37 LYS H H 1 8.513 0.01 . 1 . . . . A 37 LYS H . 36341 1 250 . 1 . 1 37 37 LYS HA H 1 3.904 0.00 . 1 . . . . A 37 LYS HA . 36341 1 251 . 1 . 1 37 37 LYS HB2 H 1 1.958 0.01 . 2 . . . . A 37 LYS HB2 . 36341 1 252 . 1 . 1 37 37 LYS HB3 H 1 1.820 0.01 . 2 . . . . A 37 LYS HB3 . 36341 1 253 . 1 . 1 37 37 LYS HG3 H 1 1.333 0.00 . 2 . . . . A 37 LYS HG3 . 36341 1 254 . 1 . 1 37 37 LYS N N 15 122.844 0.04 . 1 . . . . A 37 LYS N . 36341 1 255 . 1 . 1 38 38 GLU H H 1 8.779 0.00 . 1 . . . . A 38 GLU H . 36341 1 256 . 1 . 1 38 38 GLU HA H 1 4.105 0.01 . 1 . . . . A 38 GLU HA . 36341 1 257 . 1 . 1 38 38 GLU HB2 H 1 2.040 0.00 . 2 . . . . A 38 GLU HB2 . 36341 1 258 . 1 . 1 38 38 GLU HG2 H 1 2.360 0.01 . 2 . . . . A 38 GLU HG2 . 36341 1 259 . 1 . 1 38 38 GLU N N 15 118.085 0.06 . 1 . . . . A 38 GLU N . 36341 1 260 . 1 . 1 39 39 ASP H H 1 7.714 0.00 . 1 . . . . A 39 ASP H . 36341 1 261 . 1 . 1 39 39 ASP HA H 1 4.568 0.01 . 1 . . . . A 39 ASP HA . 36341 1 262 . 1 . 1 39 39 ASP HB2 H 1 2.787 0.00 . 2 . . . . A 39 ASP HB2 . 36341 1 263 . 1 . 1 39 39 ASP N N 15 119.804 0.03 . 1 . . . . A 39 ASP N . 36341 1 264 . 1 . 1 40 40 MET H H 1 7.889 0.00 . 1 . . . . A 40 MET H . 36341 1 265 . 1 . 1 40 40 MET HA H 1 4.248 0.00 . 1 . . . . A 40 MET HA . 36341 1 266 . 1 . 1 40 40 MET HB2 H 1 2.179 0.01 . 2 . . . . A 40 MET HB2 . 36341 1 267 . 1 . 1 40 40 MET HB3 H 1 2.037 0.00 . 2 . . . . A 40 MET HB3 . 36341 1 268 . 1 . 1 40 40 MET HG2 H 1 2.567 0.00 . 2 . . . . A 40 MET HG2 . 36341 1 269 . 1 . 1 40 40 MET HG3 H 1 2.413 0.00 . 2 . . . . A 40 MET HG3 . 36341 1 270 . 1 . 1 40 40 MET HE1 H 1 1.869 0.00 . 1 . . . . A 40 MET HE1 . 36341 1 271 . 1 . 1 40 40 MET HE2 H 1 1.869 0.00 . 1 . . . . A 40 MET HE2 . 36341 1 272 . 1 . 1 40 40 MET HE3 H 1 1.869 0.00 . 1 . . . . A 40 MET HE3 . 36341 1 273 . 1 . 1 40 40 MET CE C 13 17.668 0.01 . 1 . . . . A 40 MET CE . 36341 1 274 . 1 . 1 40 40 MET N N 15 119.148 0.02 . 1 . . . . A 40 MET N . 36341 1 275 . 1 . 1 41 41 GLU H H 1 8.153 0.00 . 1 . . . . A 41 GLU H . 36341 1 276 . 1 . 1 41 41 GLU HA H 1 3.937 0.00 . 1 . . . . A 41 GLU HA . 36341 1 277 . 1 . 1 41 41 GLU HB2 H 1 2.091 0.00 . 2 . . . . A 41 GLU HB2 . 36341 1 278 . 1 . 1 41 41 GLU HB3 H 1 2.104 0.00 . 2 . . . . A 41 GLU HB3 . 36341 1 279 . 1 . 1 41 41 GLU HG2 H 1 2.432 0.01 . 2 . . . . A 41 GLU HG2 . 36341 1 280 . 1 . 1 41 41 GLU HG3 H 1 2.243 0.00 . 2 . . . . A 41 GLU HG3 . 36341 1 281 . 1 . 1 41 41 GLU N N 15 118.683 0.02 . 1 . . . . A 41 GLU N . 36341 1 282 . 1 . 1 42 42 SER H H 1 7.884 0.00 . 1 . . . . A 42 SER H . 36341 1 283 . 1 . 1 42 42 SER HA H 1 4.320 0.01 . 1 . . . . A 42 SER HA . 36341 1 284 . 1 . 1 42 42 SER HB2 H 1 4.031 0.00 . 2 . . . . A 42 SER HB2 . 36341 1 285 . 1 . 1 42 42 SER N N 15 114.282 0.03 . 1 . . . . A 42 SER N . 36341 1 286 . 1 . 1 43 43 ILE H H 1 7.751 0.00 . 1 . . . . A 43 ILE H . 36341 1 287 . 1 . 1 43 43 ILE HA H 1 3.796 0.00 . 1 . . . . A 43 ILE HA . 36341 1 288 . 1 . 1 43 43 ILE HB H 1 2.043 0.00 . 1 . . . . A 43 ILE HB . 36341 1 289 . 1 . 1 43 43 ILE HG12 H 1 1.100 0.00 . 2 . . . . A 43 ILE HG12 . 36341 1 290 . 1 . 1 43 43 ILE HG13 H 1 1.792 0.00 . 2 . . . . A 43 ILE HG13 . 36341 1 291 . 1 . 1 43 43 ILE HG21 H 1 0.854 0.01 . 1 . . . . A 43 ILE HG21 . 36341 1 292 . 1 . 1 43 43 ILE HG22 H 1 0.854 0.01 . 1 . . . . A 43 ILE HG22 . 36341 1 293 . 1 . 1 43 43 ILE HG23 H 1 0.854 0.01 . 1 . . . . A 43 ILE HG23 . 36341 1 294 . 1 . 1 43 43 ILE HD11 H 1 0.825 0.01 . 1 . . . . A 43 ILE HD11 . 36341 1 295 . 1 . 1 43 43 ILE HD12 H 1 0.825 0.01 . 1 . . . . A 43 ILE HD12 . 36341 1 296 . 1 . 1 43 43 ILE HD13 H 1 0.825 0.01 . 1 . . . . A 43 ILE HD13 . 36341 1 297 . 1 . 1 43 43 ILE CG2 C 13 16.926 0.01 . 1 . . . . A 43 ILE CG2 . 36341 1 298 . 1 . 1 43 43 ILE CD1 C 13 13.908 0.01 . 1 . . . . A 43 ILE CD1 . 36341 1 299 . 1 . 1 43 43 ILE N N 15 123.508 0.02 . 1 . . . . A 43 ILE N . 36341 1 300 . 1 . 1 44 44 VAL H H 1 7.514 0.01 . 1 . . . . A 44 VAL H . 36341 1 301 . 1 . 1 44 44 VAL HA H 1 3.565 0.00 . 1 . . . . A 44 VAL HA . 36341 1 302 . 1 . 1 44 44 VAL HB H 1 2.322 0.00 . 1 . . . . A 44 VAL HB . 36341 1 303 . 1 . 1 44 44 VAL HG11 H 1 1.044 0.01 . 2 . . . . A 44 VAL HG11 . 36341 1 304 . 1 . 1 44 44 VAL HG12 H 1 1.044 0.01 . 2 . . . . A 44 VAL HG12 . 36341 1 305 . 1 . 1 44 44 VAL HG13 H 1 1.044 0.01 . 2 . . . . A 44 VAL HG13 . 36341 1 306 . 1 . 1 44 44 VAL HG21 H 1 0.987 0.00 . 2 . . . . A 44 VAL HG21 . 36341 1 307 . 1 . 1 44 44 VAL HG22 H 1 0.987 0.00 . 2 . . . . A 44 VAL HG22 . 36341 1 308 . 1 . 1 44 44 VAL HG23 H 1 0.987 0.00 . 2 . . . . A 44 VAL HG23 . 36341 1 309 . 1 . 1 44 44 VAL CG1 C 13 23.030 0.02 . 2 . . . . A 44 VAL CG1 . 36341 1 310 . 1 . 1 44 44 VAL CG2 C 13 21.639 0.01 . 2 . . . . A 44 VAL CG2 . 36341 1 311 . 1 . 1 44 44 VAL N N 15 119.199 0.02 . 1 . . . . A 44 VAL N . 36341 1 312 . 1 . 1 45 45 GLU H H 1 8.061 0.00 . 1 . . . . A 45 GLU H . 36341 1 313 . 1 . 1 45 45 GLU HA H 1 4.021 0.01 . 1 . . . . A 45 GLU HA . 36341 1 314 . 1 . 1 45 45 GLU HB2 H 1 2.127 0.00 . 2 . . . . A 45 GLU HB2 . 36341 1 315 . 1 . 1 45 45 GLU HG2 H 1 2.362 0.00 . 2 . . . . A 45 GLU HG2 . 36341 1 316 . 1 . 1 45 45 GLU HG3 H 1 2.270 0.01 . 2 . . . . A 45 GLU HG3 . 36341 1 317 . 1 . 1 45 45 GLU N N 15 119.023 0.05 . 1 . . . . A 45 GLU N . 36341 1 318 . 1 . 1 46 46 THR H H 1 8.377 0.01 . 1 . . . . A 46 THR H . 36341 1 319 . 1 . 1 46 46 THR HA H 1 3.940 0.00 . 1 . . . . A 46 THR HA . 36341 1 320 . 1 . 1 46 46 THR HB H 1 4.303 0.00 . 1 . . . . A 46 THR HB . 36341 1 321 . 1 . 1 46 46 THR HG21 H 1 1.208 0.00 . 1 . . . . A 46 THR HG21 . 36341 1 322 . 1 . 1 46 46 THR HG22 H 1 1.208 0.00 . 1 . . . . A 46 THR HG22 . 36341 1 323 . 1 . 1 46 46 THR HG23 H 1 1.208 0.00 . 1 . . . . A 46 THR HG23 . 36341 1 324 . 1 . 1 46 46 THR CG2 C 13 21.458 0.00 . 1 . . . . A 46 THR CG2 . 36341 1 325 . 1 . 1 46 46 THR N N 15 117.206 0.02 . 1 . . . . A 46 THR N . 36341 1 326 . 1 . 1 47 47 MET H H 1 8.051 0.00 . 1 . . . . A 47 MET H . 36341 1 327 . 1 . 1 47 47 MET HA H 1 4.454 0.00 . 1 . . . . A 47 MET HA . 36341 1 328 . 1 . 1 47 47 MET HB2 H 1 2.774 0.00 . 2 . . . . A 47 MET HB2 . 36341 1 329 . 1 . 1 47 47 MET HB3 H 1 2.654 0.00 . 2 . . . . A 47 MET HB3 . 36341 1 330 . 1 . 1 47 47 MET HG2 H 1 2.176 0.00 . 2 . . . . A 47 MET HG2 . 36341 1 331 . 1 . 1 47 47 MET HG3 H 1 1.886 0.00 . 2 . . . . A 47 MET HG3 . 36341 1 332 . 1 . 1 47 47 MET HE1 H 1 1.310 0.00 . 1 . . . . A 47 MET HE1 . 36341 1 333 . 1 . 1 47 47 MET HE2 H 1 1.310 0.00 . 1 . . . . A 47 MET HE2 . 36341 1 334 . 1 . 1 47 47 MET HE3 H 1 1.310 0.00 . 1 . . . . A 47 MET HE3 . 36341 1 335 . 1 . 1 47 47 MET CE C 13 15.593 0.01 . 1 . . . . A 47 MET CE . 36341 1 336 . 1 . 1 47 47 MET N N 15 121.092 0.02 . 1 . . . . A 47 MET N . 36341 1 337 . 1 . 1 48 48 MET H H 1 8.764 0.00 . 1 . . . . A 48 MET H . 36341 1 338 . 1 . 1 48 48 MET HA H 1 4.480 0.01 . 1 . . . . A 48 MET HA . 36341 1 339 . 1 . 1 48 48 MET HB2 H 1 2.838 0.00 . 2 . . . . A 48 MET HB2 . 36341 1 340 . 1 . 1 48 48 MET HB3 H 1 2.749 0.00 . 2 . . . . A 48 MET HB3 . 36341 1 341 . 1 . 1 48 48 MET HG2 H 1 2.240 0.01 . 2 . . . . A 48 MET HG2 . 36341 1 342 . 1 . 1 48 48 MET HG3 H 1 2.080 0.00 . 2 . . . . A 48 MET HG3 . 36341 1 343 . 1 . 1 48 48 MET HE1 H 1 2.079 0.00 . 1 . . . . A 48 MET HE1 . 36341 1 344 . 1 . 1 48 48 MET HE2 H 1 2.079 0.00 . 1 . . . . A 48 MET HE2 . 36341 1 345 . 1 . 1 48 48 MET HE3 H 1 2.079 0.00 . 1 . . . . A 48 MET HE3 . 36341 1 346 . 1 . 1 48 48 MET CE C 13 16.055 0.01 . 1 . . . . A 48 MET CE . 36341 1 347 . 1 . 1 48 48 MET N N 15 117.385 0.02 . 1 . . . . A 48 MET N . 36341 1 348 . 1 . 1 49 49 SER H H 1 8.282 0.01 . 1 . . . . A 49 SER H . 36341 1 349 . 1 . 1 49 49 SER HA H 1 4.269 0.01 . 1 . . . . A 49 SER HA . 36341 1 350 . 1 . 1 49 49 SER HB2 H 1 4.017 0.01 . 2 . . . . A 49 SER HB2 . 36341 1 351 . 1 . 1 49 49 SER HB3 H 1 3.977 0.00 . 2 . . . . A 49 SER HB3 . 36341 1 352 . 1 . 1 49 49 SER N N 15 116.411 0.02 . 1 . . . . A 49 SER N . 36341 1 353 . 1 . 1 50 50 ALA H H 1 7.712 0.00 . 1 . . . . A 50 ALA H . 36341 1 354 . 1 . 1 50 50 ALA HA H 1 4.161 0.01 . 1 . . . . A 50 ALA HA . 36341 1 355 . 1 . 1 50 50 ALA HB1 H 1 1.455 0.00 . 1 . . . . A 50 ALA HB1 . 36341 1 356 . 1 . 1 50 50 ALA HB2 H 1 1.455 0.00 . 1 . . . . A 50 ALA HB2 . 36341 1 357 . 1 . 1 50 50 ALA HB3 H 1 1.455 0.00 . 1 . . . . A 50 ALA HB3 . 36341 1 358 . 1 . 1 50 50 ALA CB C 13 17.902 0.01 . 1 . . . . A 50 ALA CB . 36341 1 359 . 1 . 1 50 50 ALA N N 15 124.967 0.03 . 1 . . . . A 50 ALA N . 36341 1 360 . 1 . 1 51 51 ILE H H 1 8.047 0.00 . 1 . . . . A 51 ILE H . 36341 1 361 . 1 . 1 51 51 ILE HA H 1 3.938 0.00 . 1 . . . . A 51 ILE HA . 36341 1 362 . 1 . 1 51 51 ILE HB H 1 1.985 0.00 . 1 . . . . A 51 ILE HB . 36341 1 363 . 1 . 1 51 51 ILE HG12 H 1 1.648 0.00 . 2 . . . . A 51 ILE HG12 . 36341 1 364 . 1 . 1 51 51 ILE HG13 H 1 1.209 0.00 . 2 . . . . A 51 ILE HG13 . 36341 1 365 . 1 . 1 51 51 ILE HG21 H 1 0.850 0.01 . 1 . . . . A 51 ILE HG21 . 36341 1 366 . 1 . 1 51 51 ILE HG22 H 1 0.850 0.01 . 1 . . . . A 51 ILE HG22 . 36341 1 367 . 1 . 1 51 51 ILE HG23 H 1 0.850 0.01 . 1 . . . . A 51 ILE HG23 . 36341 1 368 . 1 . 1 51 51 ILE HD11 H 1 0.820 0.01 . 1 . . . . A 51 ILE HD11 . 36341 1 369 . 1 . 1 51 51 ILE HD12 H 1 0.820 0.01 . 1 . . . . A 51 ILE HD12 . 36341 1 370 . 1 . 1 51 51 ILE HD13 H 1 0.820 0.01 . 1 . . . . A 51 ILE HD13 . 36341 1 371 . 1 . 1 51 51 ILE CG2 C 13 17.211 0.03 . 1 . . . . A 51 ILE CG2 . 36341 1 372 . 1 . 1 51 51 ILE CD1 C 13 14.542 0.01 . 1 . . . . A 51 ILE CD1 . 36341 1 373 . 1 . 1 51 51 ILE N N 15 116.375 0.02 . 1 . . . . A 51 ILE N . 36341 1 374 . 1 . 1 52 52 SER H H 1 8.038 0.00 . 1 . . . . A 52 SER H . 36341 1 375 . 1 . 1 52 52 SER HA H 1 4.334 0.00 . 1 . . . . A 52 SER HA . 36341 1 376 . 1 . 1 52 52 SER HB2 H 1 3.998 0.00 . 2 . . . . A 52 SER HB2 . 36341 1 377 . 1 . 1 52 52 SER N N 15 115.566 0.02 . 1 . . . . A 52 SER N . 36341 1 378 . 1 . 1 53 53 GLY H H 1 7.927 0.00 . 1 . . . . A 53 GLY H . 36341 1 379 . 1 . 1 53 53 GLY HA2 H 1 4.123 0.01 . 2 . . . . A 53 GLY HA2 . 36341 1 380 . 1 . 1 53 53 GLY HA3 H 1 3.912 0.01 . 2 . . . . A 53 GLY HA3 . 36341 1 381 . 1 . 1 53 53 GLY N N 15 108.706 0.02 . 1 . . . . A 53 GLY N . 36341 1 382 . 1 . 1 54 54 VAL H H 1 7.587 0.00 . 1 . . . . A 54 VAL H . 36341 1 383 . 1 . 1 54 54 VAL HA H 1 4.127 0.00 . 1 . . . . A 54 VAL HA . 36341 1 384 . 1 . 1 54 54 VAL HB H 1 2.223 0.00 . 1 . . . . A 54 VAL HB . 36341 1 385 . 1 . 1 54 54 VAL HG11 H 1 0.984 0.01 . 2 . . . . A 54 VAL HG11 . 36341 1 386 . 1 . 1 54 54 VAL HG12 H 1 0.984 0.01 . 2 . . . . A 54 VAL HG12 . 36341 1 387 . 1 . 1 54 54 VAL HG13 H 1 0.984 0.01 . 2 . . . . A 54 VAL HG13 . 36341 1 388 . 1 . 1 54 54 VAL HG21 H 1 0.999 0.00 . 2 . . . . A 54 VAL HG21 . 36341 1 389 . 1 . 1 54 54 VAL HG22 H 1 0.999 0.00 . 2 . . . . A 54 VAL HG22 . 36341 1 390 . 1 . 1 54 54 VAL HG23 H 1 0.999 0.00 . 2 . . . . A 54 VAL HG23 . 36341 1 391 . 1 . 1 54 54 VAL CG1 C 13 21.457 0.01 . 2 . . . . A 54 VAL CG1 . 36341 1 392 . 1 . 1 54 54 VAL CG2 C 13 21.104 0.01 . 2 . . . . A 54 VAL CG2 . 36341 1 393 . 1 . 1 54 54 VAL N N 15 118.414 0.02 . 1 . . . . A 54 VAL N . 36341 1 394 . 1 . 1 55 55 SER H H 1 8.220 0.00 . 1 . . . . A 55 SER H . 36341 1 395 . 1 . 1 55 55 SER HA H 1 4.521 0.00 . 1 . . . . A 55 SER HA . 36341 1 396 . 1 . 1 55 55 SER HB2 H 1 4.131 0.00 . 2 . . . . A 55 SER HB2 . 36341 1 397 . 1 . 1 55 55 SER N N 15 117.853 0.05 . 1 . . . . A 55 SER N . 36341 1 398 . 1 . 1 56 56 THR H H 1 8.111 0.00 . 1 . . . . A 56 THR H . 36341 1 399 . 1 . 1 56 56 THR N N 15 114.449 0.00 . 1 . . . . A 56 THR N . 36341 1 400 . 1 . 1 58 58 ARG HA H 1 4.447 0.01 . 1 . . . . A 58 ARG HA . 36341 1 401 . 1 . 1 58 58 ARG HB2 H 1 1.963 0.00 . 2 . . . . A 58 ARG HB2 . 36341 1 402 . 1 . 1 58 58 ARG HB3 H 1 1.819 0.00 . 2 . . . . A 58 ARG HB3 . 36341 1 403 . 1 . 1 59 59 GLY H H 1 8.259 0.01 . 1 . . . . A 59 GLY H . 36341 1 404 . 1 . 1 59 59 GLY HA2 H 1 4.080 0.00 . 2 . . . . A 59 GLY HA2 . 36341 1 405 . 1 . 1 59 59 GLY N N 15 109.133 0.04 . 1 . . . . A 59 GLY N . 36341 1 406 . 1 . 1 60 60 SER H H 1 8.243 0.00 . 1 . . . . A 60 SER H . 36341 1 407 . 1 . 1 60 60 SER N N 15 115.345 0.00 . 1 . . . . A 60 SER N . 36341 1 408 . 1 . 1 61 61 SER HA H 1 4.499 0.01 . 1 . . . . A 61 SER HA . 36341 1 409 . 1 . 1 61 61 SER HB2 H 1 4.010 0.00 . 1 . . . . A 61 SER HB2 . 36341 1 410 . 1 . 1 62 62 GLU H H 1 8.865 0.00 . 1 . . . . A 62 GLU H . 36341 1 411 . 1 . 1 62 62 GLU HA H 1 4.119 0.02 . 1 . . . . A 62 GLU HA . 36341 1 412 . 1 . 1 62 62 GLU HB2 H 1 2.086 0.00 . 2 . . . . A 62 GLU HB2 . 36341 1 413 . 1 . 1 62 62 GLU HG2 H 1 2.389 0.00 . 2 . . . . A 62 GLU HG2 . 36341 1 414 . 1 . 1 62 62 GLU HG3 H 1 2.381 0.00 . 2 . . . . A 62 GLU HG3 . 36341 1 415 . 1 . 1 62 62 GLU N N 15 122.490 0.01 . 1 . . . . A 62 GLU N . 36341 1 416 . 1 . 1 63 63 ALA H H 1 8.255 0.00 . 1 . . . . A 63 ALA H . 36341 1 417 . 1 . 1 63 63 ALA HA H 1 4.264 0.00 . 1 . . . . A 63 ALA HA . 36341 1 418 . 1 . 1 63 63 ALA HB1 H 1 1.474 0.00 . 1 . . . . A 63 ALA HB1 . 36341 1 419 . 1 . 1 63 63 ALA HB2 H 1 1.474 0.00 . 1 . . . . A 63 ALA HB2 . 36341 1 420 . 1 . 1 63 63 ALA HB3 H 1 1.474 0.00 . 1 . . . . A 63 ALA HB3 . 36341 1 421 . 1 . 1 63 63 ALA N N 15 121.741 0.02 . 1 . . . . A 63 ALA N . 36341 1 422 . 1 . 1 64 64 THR H H 1 7.966 0.00 . 1 . . . . A 64 THR H . 36341 1 423 . 1 . 1 64 64 THR HA H 1 4.064 0.00 . 1 . . . . A 64 THR HA . 36341 1 424 . 1 . 1 64 64 THR HB H 1 4.369 0.00 . 1 . . . . A 64 THR HB . 36341 1 425 . 1 . 1 64 64 THR HG21 H 1 1.289 0.00 . 1 . . . . A 64 THR HG21 . 36341 1 426 . 1 . 1 64 64 THR HG22 H 1 1.289 0.00 . 1 . . . . A 64 THR HG22 . 36341 1 427 . 1 . 1 64 64 THR HG23 H 1 1.289 0.00 . 1 . . . . A 64 THR HG23 . 36341 1 428 . 1 . 1 64 64 THR CG2 C 13 22.567 0.01 . 1 . . . . A 64 THR CG2 . 36341 1 429 . 1 . 1 64 64 THR N N 15 116.102 0.02 . 1 . . . . A 64 THR N . 36341 1 430 . 1 . 1 65 65 LEU H H 1 8.152 0.00 . 1 . . . . A 65 LEU H . 36341 1 431 . 1 . 1 65 65 LEU HA H 1 4.116 0.01 . 1 . . . . A 65 LEU HA . 36341 1 432 . 1 . 1 65 65 LEU HB2 H 1 1.990 0.00 . 2 . . . . A 65 LEU HB2 . 36341 1 433 . 1 . 1 65 65 LEU HB3 H 1 1.803 0.00 . 2 . . . . A 65 LEU HB3 . 36341 1 434 . 1 . 1 65 65 LEU HG H 1 1.926 0.00 . 1 . . . . A 65 LEU HG . 36341 1 435 . 1 . 1 65 65 LEU HD11 H 1 1.014 0.00 . 2 . . . . A 65 LEU HD11 . 36341 1 436 . 1 . 1 65 65 LEU HD12 H 1 1.014 0.00 . 2 . . . . A 65 LEU HD12 . 36341 1 437 . 1 . 1 65 65 LEU HD13 H 1 1.014 0.00 . 2 . . . . A 65 LEU HD13 . 36341 1 438 . 1 . 1 65 65 LEU HD21 H 1 0.989 0.01 . 2 . . . . A 65 LEU HD21 . 36341 1 439 . 1 . 1 65 65 LEU HD22 H 1 0.989 0.01 . 2 . . . . A 65 LEU HD22 . 36341 1 440 . 1 . 1 65 65 LEU HD23 H 1 0.989 0.01 . 2 . . . . A 65 LEU HD23 . 36341 1 441 . 1 . 1 65 65 LEU CD1 C 13 25.602 0.02 . 2 . . . . A 65 LEU CD1 . 36341 1 442 . 1 . 1 65 65 LEU CD2 C 13 23.261 0.02 . 2 . . . . A 65 LEU CD2 . 36341 1 443 . 1 . 1 65 65 LEU N N 15 122.200 0.01 . 1 . . . . A 65 LEU N . 36341 1 444 . 1 . 1 66 66 GLN H H 1 8.180 0.00 . 1 . . . . A 66 GLN H . 36341 1 445 . 1 . 1 66 66 GLN HA H 1 4.173 0.00 . 1 . . . . A 66 GLN HA . 36341 1 446 . 1 . 1 66 66 GLN HB2 H 1 2.241 0.00 . 2 . . . . A 66 GLN HB2 . 36341 1 447 . 1 . 1 66 66 GLN HB3 H 1 2.189 0.00 . 2 . . . . A 66 GLN HB3 . 36341 1 448 . 1 . 1 66 66 GLN HG2 H 1 2.556 0.00 . 2 . . . . A 66 GLN HG2 . 36341 1 449 . 1 . 1 66 66 GLN HE21 H 1 7.567 0.00 . 2 . . . . A 66 GLN HE21 . 36341 1 450 . 1 . 1 66 66 GLN HE22 H 1 7.069 0.03 . 2 . . . . A 66 GLN HE22 . 36341 1 451 . 1 . 1 66 66 GLN N N 15 117.862 0.03 . 1 . . . . A 66 GLN N . 36341 1 452 . 1 . 1 66 66 GLN NE2 N 15 112.160 0.00 . 1 . . . . A 66 GLN NE2 . 36341 1 453 . 1 . 1 67 67 ALA H H 1 7.959 0.00 . 1 . . . . A 67 ALA H . 36341 1 454 . 1 . 1 67 67 ALA HA H 1 4.195 0.00 . 1 . . . . A 67 ALA HA . 36341 1 455 . 1 . 1 67 67 ALA HB1 H 1 1.564 0.00 . 1 . . . . A 67 ALA HB1 . 36341 1 456 . 1 . 1 67 67 ALA HB2 H 1 1.564 0.00 . 1 . . . . A 67 ALA HB2 . 36341 1 457 . 1 . 1 67 67 ALA HB3 H 1 1.564 0.00 . 1 . . . . A 67 ALA HB3 . 36341 1 458 . 1 . 1 67 67 ALA CB C 13 17.898 0.00 . 1 . . . . A 67 ALA CB . 36341 1 459 . 1 . 1 67 67 ALA N N 15 122.176 0.04 . 1 . . . . A 67 ALA N . 36341 1 460 . 1 . 1 68 68 MET H H 1 8.190 0.01 . 1 . . . . A 68 MET H . 36341 1 461 . 1 . 1 68 68 MET HA H 1 4.066 0.00 . 1 . . . . A 68 MET HA . 36341 1 462 . 1 . 1 68 68 MET HB2 H 1 2.325 0.00 . 2 . . . . A 68 MET HB2 . 36341 1 463 . 1 . 1 68 68 MET HG2 H 1 2.428 0.00 . 2 . . . . A 68 MET HG2 . 36341 1 464 . 1 . 1 68 68 MET HE1 H 1 1.782 0.00 . 1 . . . . A 68 MET HE1 . 36341 1 465 . 1 . 1 68 68 MET HE2 H 1 1.782 0.00 . 1 . . . . A 68 MET HE2 . 36341 1 466 . 1 . 1 68 68 MET HE3 H 1 1.782 0.00 . 1 . . . . A 68 MET HE3 . 36341 1 467 . 1 . 1 68 68 MET CE C 13 18.479 0.01 . 1 . . . . A 68 MET CE . 36341 1 468 . 1 . 1 68 68 MET N N 15 119.990 0.03 . 1 . . . . A 68 MET N . 36341 1 469 . 1 . 1 69 69 ASN H H 1 8.629 0.00 . 1 . . . . A 69 ASN H . 36341 1 470 . 1 . 1 69 69 ASN HA H 1 4.616 0.00 . 1 . . . . A 69 ASN HA . 36341 1 471 . 1 . 1 69 69 ASN HB2 H 1 3.380 0.01 . 2 . . . . A 69 ASN HB2 . 36341 1 472 . 1 . 1 69 69 ASN HB3 H 1 2.650 0.01 . 2 . . . . A 69 ASN HB3 . 36341 1 473 . 1 . 1 69 69 ASN HD21 H 1 8.036 0.00 . 2 . . . . A 69 ASN HD21 . 36341 1 474 . 1 . 1 69 69 ASN HD22 H 1 6.633 0.00 . 2 . . . . A 69 ASN HD22 . 36341 1 475 . 1 . 1 69 69 ASN N N 15 119.992 0.02 . 1 . . . . A 69 ASN N . 36341 1 476 . 1 . 1 69 69 ASN ND2 N 15 108.293 0.02 . 1 . . . . A 69 ASN ND2 . 36341 1 477 . 1 . 1 70 70 MET H H 1 8.219 0.00 . 1 . . . . A 70 MET H . 36341 1 478 . 1 . 1 70 70 MET HA H 1 4.315 0.00 . 1 . . . . A 70 MET HA . 36341 1 479 . 1 . 1 70 70 MET HB2 H 1 2.330 0.00 . 2 . . . . A 70 MET HB2 . 36341 1 480 . 1 . 1 70 70 MET HG2 H 1 2.833 0.00 . 2 . . . . A 70 MET HG2 . 36341 1 481 . 1 . 1 70 70 MET HG3 H 1 2.747 0.01 . 2 . . . . A 70 MET HG3 . 36341 1 482 . 1 . 1 70 70 MET HE1 H 1 2.172 0.00 . 1 . . . . A 70 MET HE1 . 36341 1 483 . 1 . 1 70 70 MET HE2 H 1 2.172 0.00 . 1 . . . . A 70 MET HE2 . 36341 1 484 . 1 . 1 70 70 MET HE3 H 1 2.172 0.00 . 1 . . . . A 70 MET HE3 . 36341 1 485 . 1 . 1 70 70 MET CE C 13 17.374 0.01 . 1 . . . . A 70 MET CE . 36341 1 486 . 1 . 1 70 70 MET N N 15 118.475 0.03 . 1 . . . . A 70 MET N . 36341 1 487 . 1 . 1 71 71 ALA H H 1 8.098 0.00 . 1 . . . . A 71 ALA H . 36341 1 488 . 1 . 1 71 71 ALA HA H 1 4.080 0.00 . 1 . . . . A 71 ALA HA . 36341 1 489 . 1 . 1 71 71 ALA HB1 H 1 1.410 0.00 . 1 . . . . A 71 ALA HB1 . 36341 1 490 . 1 . 1 71 71 ALA HB2 H 1 1.410 0.00 . 1 . . . . A 71 ALA HB2 . 36341 1 491 . 1 . 1 71 71 ALA HB3 H 1 1.410 0.00 . 1 . . . . A 71 ALA HB3 . 36341 1 492 . 1 . 1 71 71 ALA CB C 13 17.715 0.00 . 1 . . . . A 71 ALA CB . 36341 1 493 . 1 . 1 71 71 ALA N N 15 123.692 0.02 . 1 . . . . A 71 ALA N . 36341 1 494 . 1 . 1 72 72 PHE H H 1 8.594 0.00 . 1 . . . . A 72 PHE H . 36341 1 495 . 1 . 1 72 72 PHE HA H 1 4.359 0.01 . 1 . . . . A 72 PHE HA . 36341 1 496 . 1 . 1 72 72 PHE HB2 H 1 3.452 0.00 . 2 . . . . A 72 PHE HB2 . 36341 1 497 . 1 . 1 72 72 PHE HB3 H 1 3.361 0.00 . 2 . . . . A 72 PHE HB3 . 36341 1 498 . 1 . 1 72 72 PHE HD1 H 1 7.463 0.00 . 3 . . . . A 72 PHE HD1 . 36341 1 499 . 1 . 1 72 72 PHE HE1 H 1 6.886 0.00 . 3 . . . . A 72 PHE HE1 . 36341 1 500 . 1 . 1 72 72 PHE HZ H 1 6.332 0.00 . 1 . . . . A 72 PHE HZ . 36341 1 501 . 1 . 1 72 72 PHE CD1 C 13 132.136 0.02 . 3 . . . . A 72 PHE CD1 . 36341 1 502 . 1 . 1 72 72 PHE N N 15 119.634 0.04 . 1 . . . . A 72 PHE N . 36341 1 503 . 1 . 1 73 73 ALA H H 1 9.019 0.00 . 1 . . . . A 73 ALA H . 36341 1 504 . 1 . 1 73 73 ALA HA H 1 3.727 0.01 . 1 . . . . A 73 ALA HA . 36341 1 505 . 1 . 1 73 73 ALA HB1 H 1 1.689 0.00 . 1 . . . . A 73 ALA HB1 . 36341 1 506 . 1 . 1 73 73 ALA HB2 H 1 1.689 0.00 . 1 . . . . A 73 ALA HB2 . 36341 1 507 . 1 . 1 73 73 ALA HB3 H 1 1.689 0.00 . 1 . . . . A 73 ALA HB3 . 36341 1 508 . 1 . 1 73 73 ALA CB C 13 20.484 0.01 . 1 . . . . A 73 ALA CB . 36341 1 509 . 1 . 1 73 73 ALA N N 15 120.781 0.03 . 1 . . . . A 73 ALA N . 36341 1 510 . 1 . 1 74 74 SER H H 1 8.423 0.00 . 1 . . . . A 74 SER H . 36341 1 511 . 1 . 1 74 74 SER HA H 1 3.543 0.00 . 1 . . . . A 74 SER HA . 36341 1 512 . 1 . 1 74 74 SER HB2 H 1 3.554 0.01 . 2 . . . . A 74 SER HB2 . 36341 1 513 . 1 . 1 74 74 SER HB3 H 1 3.479 0.01 . 2 . . . . A 74 SER HB3 . 36341 1 514 . 1 . 1 74 74 SER N N 15 112.536 0.01 . 1 . . . . A 74 SER N . 36341 1 515 . 1 . 1 75 75 SER H H 1 7.631 0.00 . 1 . . . . A 75 SER H . 36341 1 516 . 1 . 1 75 75 SER HA H 1 4.193 0.00 . 1 . . . . A 75 SER HA . 36341 1 517 . 1 . 1 75 75 SER HB2 H 1 3.898 0.00 . 2 . . . . A 75 SER HB2 . 36341 1 518 . 1 . 1 75 75 SER HB3 H 1 3.746 0.00 . 2 . . . . A 75 SER HB3 . 36341 1 519 . 1 . 1 75 75 SER N N 15 117.451 0.02 . 1 . . . . A 75 SER N . 36341 1 520 . 1 . 1 76 76 MET H H 1 8.027 0.00 . 1 . . . . A 76 MET H . 36341 1 521 . 1 . 1 76 76 MET HA H 1 4.317 0.00 . 1 . . . . A 76 MET HA . 36341 1 522 . 1 . 1 76 76 MET HB2 H 1 1.683 0.01 . 2 . . . . A 76 MET HB2 . 36341 1 523 . 1 . 1 76 76 MET HG2 H 1 1.895 0.00 . 2 . . . . A 76 MET HG2 . 36341 1 524 . 1 . 1 76 76 MET HG3 H 1 1.904 0.00 . 2 . . . . A 76 MET HG3 . 36341 1 525 . 1 . 1 76 76 MET HE1 H 1 1.647 0.01 . 1 . . . . A 76 MET HE1 . 36341 1 526 . 1 . 1 76 76 MET HE2 H 1 1.647 0.01 . 1 . . . . A 76 MET HE2 . 36341 1 527 . 1 . 1 76 76 MET HE3 H 1 1.647 0.01 . 1 . . . . A 76 MET HE3 . 36341 1 528 . 1 . 1 76 76 MET CE C 13 18.751 0.01 . 1 . . . . A 76 MET CE . 36341 1 529 . 1 . 1 76 76 MET N N 15 119.221 0.01 . 1 . . . . A 76 MET N . 36341 1 530 . 1 . 1 77 77 ALA H H 1 8.472 0.00 . 1 . . . . A 77 ALA H . 36341 1 531 . 1 . 1 77 77 ALA HA H 1 3.952 0.01 . 1 . . . . A 77 ALA HA . 36341 1 532 . 1 . 1 77 77 ALA HB1 H 1 1.474 0.00 . 1 . . . . A 77 ALA HB1 . 36341 1 533 . 1 . 1 77 77 ALA HB2 H 1 1.474 0.00 . 1 . . . . A 77 ALA HB2 . 36341 1 534 . 1 . 1 77 77 ALA HB3 H 1 1.474 0.00 . 1 . . . . A 77 ALA HB3 . 36341 1 535 . 1 . 1 77 77 ALA CB C 13 18.528 0.01 . 1 . . . . A 77 ALA CB . 36341 1 536 . 1 . 1 77 77 ALA N N 15 122.072 0.02 . 1 . . . . A 77 ALA N . 36341 1 537 . 1 . 1 78 78 GLU H H 1 7.461 0.00 . 1 . . . . A 78 GLU H . 36341 1 538 . 1 . 1 78 78 GLU HA H 1 3.913 0.01 . 1 . . . . A 78 GLU HA . 36341 1 539 . 1 . 1 78 78 GLU HB2 H 1 2.101 0.00 . 2 . . . . A 78 GLU HB2 . 36341 1 540 . 1 . 1 78 78 GLU HB3 H 1 2.041 0.01 . 2 . . . . A 78 GLU HB3 . 36341 1 541 . 1 . 1 78 78 GLU HG2 H 1 2.221 0.00 . 2 . . . . A 78 GLU HG2 . 36341 1 542 . 1 . 1 78 78 GLU HG3 H 1 2.435 0.00 . 2 . . . . A 78 GLU HG3 . 36341 1 543 . 1 . 1 78 78 GLU N N 15 114.995 0.02 . 1 . . . . A 78 GLU N . 36341 1 544 . 1 . 1 79 79 LEU H H 1 7.326 0.00 . 1 . . . . A 79 LEU H . 36341 1 545 . 1 . 1 79 79 LEU HA H 1 4.245 0.01 . 1 . . . . A 79 LEU HA . 36341 1 546 . 1 . 1 79 79 LEU HB2 H 1 1.920 0.00 . 2 . . . . A 79 LEU HB2 . 36341 1 547 . 1 . 1 79 79 LEU HB3 H 1 1.668 0.00 . 2 . . . . A 79 LEU HB3 . 36341 1 548 . 1 . 1 79 79 LEU HG H 1 1.746 0.00 . 1 . . . . A 79 LEU HG . 36341 1 549 . 1 . 1 79 79 LEU HD11 H 1 0.813 0.00 . 2 . . . . A 79 LEU HD11 . 36341 1 550 . 1 . 1 79 79 LEU HD12 H 1 0.813 0.00 . 2 . . . . A 79 LEU HD12 . 36341 1 551 . 1 . 1 79 79 LEU HD13 H 1 0.813 0.00 . 2 . . . . A 79 LEU HD13 . 36341 1 552 . 1 . 1 79 79 LEU HD21 H 1 0.754 0.01 . 2 . . . . A 79 LEU HD21 . 36341 1 553 . 1 . 1 79 79 LEU HD22 H 1 0.754 0.01 . 2 . . . . A 79 LEU HD22 . 36341 1 554 . 1 . 1 79 79 LEU HD23 H 1 0.754 0.01 . 2 . . . . A 79 LEU HD23 . 36341 1 555 . 1 . 1 79 79 LEU CD1 C 13 25.314 0.01 . 2 . . . . A 79 LEU CD1 . 36341 1 556 . 1 . 1 79 79 LEU CD2 C 13 24.131 0.00 . 2 . . . . A 79 LEU CD2 . 36341 1 557 . 1 . 1 79 79 LEU N N 15 116.944 0.03 . 1 . . . . A 79 LEU N . 36341 1 558 . 1 . 1 80 80 VAL H H 1 7.833 0.00 . 1 . . . . A 80 VAL H . 36341 1 559 . 1 . 1 80 80 VAL HA H 1 3.950 0.01 . 1 . . . . A 80 VAL HA . 36341 1 560 . 1 . 1 80 80 VAL HB H 1 2.297 0.00 . 1 . . . . A 80 VAL HB . 36341 1 561 . 1 . 1 80 80 VAL HG11 H 1 1.052 0.00 . 2 . . . . A 80 VAL HG11 . 36341 1 562 . 1 . 1 80 80 VAL HG12 H 1 1.052 0.00 . 2 . . . . A 80 VAL HG12 . 36341 1 563 . 1 . 1 80 80 VAL HG13 H 1 1.052 0.00 . 2 . . . . A 80 VAL HG13 . 36341 1 564 . 1 . 1 80 80 VAL HG21 H 1 0.974 0.00 . 2 . . . . A 80 VAL HG21 . 36341 1 565 . 1 . 1 80 80 VAL HG22 H 1 0.974 0.00 . 2 . . . . A 80 VAL HG22 . 36341 1 566 . 1 . 1 80 80 VAL HG23 H 1 0.974 0.00 . 2 . . . . A 80 VAL HG23 . 36341 1 567 . 1 . 1 80 80 VAL CG1 C 13 21.952 0.01 . 2 . . . . A 80 VAL CG1 . 36341 1 568 . 1 . 1 80 80 VAL CG2 C 13 22.493 0.01 . 2 . . . . A 80 VAL CG2 . 36341 1 569 . 1 . 1 80 80 VAL N N 15 114.664 0.03 . 1 . . . . A 80 VAL N . 36341 1 570 . 1 . 1 81 81 ILE H H 1 7.831 0.00 . 1 . . . . A 81 ILE H . 36341 1 571 . 1 . 1 81 81 ILE HA H 1 4.111 0.00 . 1 . . . . A 81 ILE HA . 36341 1 572 . 1 . 1 81 81 ILE HB H 1 2.113 0.01 . 1 . . . . A 81 ILE HB . 36341 1 573 . 1 . 1 81 81 ILE HG12 H 1 1.381 0.00 . 2 . . . . A 81 ILE HG12 . 36341 1 574 . 1 . 1 81 81 ILE HG13 H 1 1.323 0.01 . 2 . . . . A 81 ILE HG13 . 36341 1 575 . 1 . 1 81 81 ILE HG21 H 1 0.935 0.00 . 1 . . . . A 81 ILE HG21 . 36341 1 576 . 1 . 1 81 81 ILE HG22 H 1 0.935 0.00 . 1 . . . . A 81 ILE HG22 . 36341 1 577 . 1 . 1 81 81 ILE HG23 H 1 0.935 0.00 . 1 . . . . A 81 ILE HG23 . 36341 1 578 . 1 . 1 81 81 ILE HD11 H 1 0.820 0.00 . 1 . . . . A 81 ILE HD11 . 36341 1 579 . 1 . 1 81 81 ILE HD12 H 1 0.820 0.00 . 1 . . . . A 81 ILE HD12 . 36341 1 580 . 1 . 1 81 81 ILE HD13 H 1 0.820 0.00 . 1 . . . . A 81 ILE HD13 . 36341 1 581 . 1 . 1 81 81 ILE CG2 C 13 17.934 0.01 . 1 . . . . A 81 ILE CG2 . 36341 1 582 . 1 . 1 81 81 ILE CD1 C 13 13.836 0.02 . 1 . . . . A 81 ILE CD1 . 36341 1 583 . 1 . 1 81 81 ILE N N 15 113.920 0.02 . 1 . . . . A 81 ILE N . 36341 1 584 . 1 . 1 82 82 ALA H H 1 7.275 0.00 . 1 . . . . A 82 ALA H . 36341 1 585 . 1 . 1 82 82 ALA HA H 1 4.106 0.00 . 1 . . . . A 82 ALA HA . 36341 1 586 . 1 . 1 82 82 ALA HB1 H 1 1.474 0.00 . 1 . . . . A 82 ALA HB1 . 36341 1 587 . 1 . 1 82 82 ALA HB2 H 1 1.474 0.00 . 1 . . . . A 82 ALA HB2 . 36341 1 588 . 1 . 1 82 82 ALA HB3 H 1 1.474 0.00 . 1 . . . . A 82 ALA HB3 . 36341 1 589 . 1 . 1 82 82 ALA CB C 13 19.037 0.00 . 1 . . . . A 82 ALA CB . 36341 1 590 . 1 . 1 82 82 ALA N N 15 122.993 0.02 . 1 . . . . A 82 ALA N . 36341 1 591 . 1 . 1 83 83 GLU H H 1 8.332 0.00 . 1 . . . . A 83 GLU H . 36341 1 592 . 1 . 1 83 83 GLU HA H 1 4.204 0.00 . 1 . . . . A 83 GLU HA . 36341 1 593 . 1 . 1 83 83 GLU HB2 H 1 2.056 0.01 . 2 . . . . A 83 GLU HB2 . 36341 1 594 . 1 . 1 83 83 GLU HB3 H 1 1.969 0.02 . 2 . . . . A 83 GLU HB3 . 36341 1 595 . 1 . 1 83 83 GLU HG2 H 1 2.282 0.00 . 2 . . . . A 83 GLU HG2 . 36341 1 596 . 1 . 1 83 83 GLU HG3 H 1 2.205 0.01 . 2 . . . . A 83 GLU HG3 . 36341 1 597 . 1 . 1 83 83 GLU N N 15 118.842 0.02 . 1 . . . . A 83 GLU N . 36341 1 598 . 1 . 1 84 84 ASP H H 1 8.242 0.01 . 1 . . . . A 84 ASP H . 36341 1 599 . 1 . 1 84 84 ASP HA H 1 4.731 0.00 . 1 . . . . A 84 ASP HA . 36341 1 600 . 1 . 1 84 84 ASP HB2 H 1 2.938 0.00 . 2 . . . . A 84 ASP HB2 . 36341 1 601 . 1 . 1 84 84 ASP HB3 H 1 2.634 0.00 . 2 . . . . A 84 ASP HB3 . 36341 1 602 . 1 . 1 84 84 ASP N N 15 119.888 0.04 . 1 . . . . A 84 ASP N . 36341 1 603 . 1 . 1 85 85 VAL H H 1 8.108 0.00 . 1 . . . . A 85 VAL H . 36341 1 604 . 1 . 1 85 85 VAL HA H 1 3.944 0.00 . 1 . . . . A 85 VAL HA . 36341 1 605 . 1 . 1 85 85 VAL HB H 1 2.193 0.00 . 1 . . . . A 85 VAL HB . 36341 1 606 . 1 . 1 85 85 VAL HG11 H 1 0.956 0.00 . 2 . . . . A 85 VAL HG11 . 36341 1 607 . 1 . 1 85 85 VAL HG12 H 1 0.956 0.00 . 2 . . . . A 85 VAL HG12 . 36341 1 608 . 1 . 1 85 85 VAL HG13 H 1 0.956 0.00 . 2 . . . . A 85 VAL HG13 . 36341 1 609 . 1 . 1 85 85 VAL HG21 H 1 0.924 0.00 . 2 . . . . A 85 VAL HG21 . 36341 1 610 . 1 . 1 85 85 VAL HG22 H 1 0.924 0.00 . 2 . . . . A 85 VAL HG22 . 36341 1 611 . 1 . 1 85 85 VAL HG23 H 1 0.924 0.00 . 2 . . . . A 85 VAL HG23 . 36341 1 612 . 1 . 1 85 85 VAL CG1 C 13 20.975 0.01 . 1 . . . . A 85 VAL CG1 . 36341 1 613 . 1 . 1 85 85 VAL CG2 C 13 20.569 0.00 . 1 . . . . A 85 VAL CG2 . 36341 1 614 . 1 . 1 85 85 VAL N N 15 120.625 0.03 . 1 . . . . A 85 VAL N . 36341 1 615 . 1 . 1 86 86 ASN H H 1 8.323 0.00 . 1 . . . . A 86 ASN H . 36341 1 616 . 1 . 1 86 86 ASN HA H 1 4.828 0.00 . 1 . . . . A 86 ASN HA . 36341 1 617 . 1 . 1 86 86 ASN HB2 H 1 2.931 0.00 . 2 . . . . A 86 ASN HB2 . 36341 1 618 . 1 . 1 86 86 ASN HB3 H 1 2.740 0.00 . 2 . . . . A 86 ASN HB3 . 36341 1 619 . 1 . 1 86 86 ASN HD21 H 1 7.730 0.00 . 2 . . . . A 86 ASN HD21 . 36341 1 620 . 1 . 1 86 86 ASN HD22 H 1 6.927 0.00 . 2 . . . . A 86 ASN HD22 . 36341 1 621 . 1 . 1 86 86 ASN N N 15 116.908 0.03 . 1 . . . . A 86 ASN N . 36341 1 622 . 1 . 1 86 86 ASN ND2 N 15 113.807 0.01 . 1 . . . . A 86 ASN ND2 . 36341 1 623 . 1 . 1 87 87 ASN H H 1 7.629 0.00 . 1 . . . . A 87 ASN H . 36341 1 624 . 1 . 1 87 87 ASN HA H 1 5.207 0.00 . 1 . . . . A 87 ASN HA . 36341 1 625 . 1 . 1 87 87 ASN HB2 H 1 3.072 0.00 . 1 . . . . A 87 ASN HB2 . 36341 1 626 . 1 . 1 87 87 ASN HB3 H 1 2.684 0.00 . 1 . . . . A 87 ASN HB3 . 36341 1 627 . 1 . 1 87 87 ASN HD21 H 1 7.883 0.00 . 2 . . . . A 87 ASN HD21 . 36341 1 628 . 1 . 1 87 87 ASN HD22 H 1 7.080 0.00 . 2 . . . . A 87 ASN HD22 . 36341 1 629 . 1 . 1 87 87 ASN N N 15 117.244 0.03 . 1 . . . . A 87 ASN N . 36341 1 630 . 1 . 1 87 87 ASN ND2 N 15 113.182 0.00 . 1 . . . . A 87 ASN ND2 . 36341 1 631 . 1 . 1 88 88 PRO HA H 1 4.324 0.00 . 1 . . . . A 88 PRO HA . 36341 1 632 . 1 . 1 88 88 PRO HB2 H 1 2.394 0.00 . 2 . . . . A 88 PRO HB2 . 36341 1 633 . 1 . 1 88 88 PRO HG2 H 1 2.057 0.00 . 2 . . . . A 88 PRO HG2 . 36341 1 634 . 1 . 1 89 89 ASP H H 1 8.196 0.01 . 1 . . . . A 89 ASP H . 36341 1 635 . 1 . 1 89 89 ASP HA H 1 4.609 0.00 . 1 . . . . A 89 ASP HA . 36341 1 636 . 1 . 1 89 89 ASP HB2 H 1 2.783 0.00 . 2 . . . . A 89 ASP HB2 . 36341 1 637 . 1 . 1 89 89 ASP HB3 H 1 2.674 0.00 . 2 . . . . A 89 ASP HB3 . 36341 1 638 . 1 . 1 89 89 ASP N N 15 118.845 0.03 . 1 . . . . A 89 ASP N . 36341 1 639 . 1 . 1 90 90 SER H H 1 7.630 0.00 . 1 . . . . A 90 SER H . 36341 1 640 . 1 . 1 90 90 SER HA H 1 4.326 0.01 . 1 . . . . A 90 SER HA . 36341 1 641 . 1 . 1 90 90 SER HB2 H 1 3.978 0.00 . 2 . . . . A 90 SER HB2 . 36341 1 642 . 1 . 1 90 90 SER N N 15 116.159 0.01 . 1 . . . . A 90 SER N . 36341 1 643 . 1 . 1 91 91 ILE H H 1 7.830 0.01 . 1 . . . . A 91 ILE H . 36341 1 644 . 1 . 1 91 91 ILE HA H 1 3.684 0.02 . 1 . . . . A 91 ILE HA . 36341 1 645 . 1 . 1 91 91 ILE HB H 1 1.872 0.01 . 1 . . . . A 91 ILE HB . 36341 1 646 . 1 . 1 91 91 ILE HG12 H 1 1.145 0.00 . 2 . . . . A 91 ILE HG12 . 36341 1 647 . 1 . 1 91 91 ILE HG13 H 1 1.768 0.00 . 2 . . . . A 91 ILE HG13 . 36341 1 648 . 1 . 1 91 91 ILE HG21 H 1 0.830 0.01 . 1 . . . . A 91 ILE HG21 . 36341 1 649 . 1 . 1 91 91 ILE HG22 H 1 0.830 0.01 . 1 . . . . A 91 ILE HG22 . 36341 1 650 . 1 . 1 91 91 ILE HG23 H 1 0.830 0.01 . 1 . . . . A 91 ILE HG23 . 36341 1 651 . 1 . 1 91 91 ILE HD11 H 1 0.876 0.01 . 1 . . . . A 91 ILE HD11 . 36341 1 652 . 1 . 1 91 91 ILE HD12 H 1 0.876 0.01 . 1 . . . . A 91 ILE HD12 . 36341 1 653 . 1 . 1 91 91 ILE HD13 H 1 0.876 0.01 . 1 . . . . A 91 ILE HD13 . 36341 1 654 . 1 . 1 91 91 ILE CG2 C 13 16.895 0.00 . 1 . . . . A 91 ILE CG2 . 36341 1 655 . 1 . 1 91 91 ILE CD1 C 13 13.454 0.01 . 1 . . . . A 91 ILE CD1 . 36341 1 656 . 1 . 1 91 91 ILE N N 15 120.982 0.03 . 1 . . . . A 91 ILE N . 36341 1 657 . 1 . 1 92 92 ALA H H 1 8.287 0.01 . 1 . . . . A 92 ALA H . 36341 1 658 . 1 . 1 92 92 ALA HA H 1 4.158 0.00 . 1 . . . . A 92 ALA HA . 36341 1 659 . 1 . 1 92 92 ALA HB1 H 1 1.548 0.00 . 1 . . . . A 92 ALA HB1 . 36341 1 660 . 1 . 1 92 92 ALA HB2 H 1 1.548 0.00 . 1 . . . . A 92 ALA HB2 . 36341 1 661 . 1 . 1 92 92 ALA HB3 H 1 1.548 0.00 . 1 . . . . A 92 ALA HB3 . 36341 1 662 . 1 . 1 92 92 ALA CB C 13 18.032 0.01 . 1 . . . . A 92 ALA CB . 36341 1 663 . 1 . 1 92 92 ALA N N 15 124.655 0.01 . 1 . . . . A 92 ALA N . 36341 1 664 . 1 . 1 93 93 GLU H H 1 8.142 0.01 . 1 . . . . A 93 GLU H . 36341 1 665 . 1 . 1 93 93 GLU HA H 1 4.081 0.01 . 1 . . . . A 93 GLU HA . 36341 1 666 . 1 . 1 93 93 GLU HB2 H 1 2.135 0.02 . 2 . . . . A 93 GLU HB2 . 36341 1 667 . 1 . 1 93 93 GLU HB3 H 1 2.041 0.00 . 2 . . . . A 93 GLU HB3 . 36341 1 668 . 1 . 1 93 93 GLU HG2 H 1 2.373 0.01 . 2 . . . . A 93 GLU HG2 . 36341 1 669 . 1 . 1 93 93 GLU HG3 H 1 2.253 0.01 . 2 . . . . A 93 GLU HG3 . 36341 1 670 . 1 . 1 93 93 GLU N N 15 119.447 0.04 . 1 . . . . A 93 GLU N . 36341 1 671 . 1 . 1 94 94 LYS H H 1 8.429 0.01 . 1 . . . . A 94 LYS H . 36341 1 672 . 1 . 1 94 94 LYS HA H 1 3.710 0.01 . 1 . . . . A 94 LYS HA . 36341 1 673 . 1 . 1 94 94 LYS HB2 H 1 1.955 0.01 . 2 . . . . A 94 LYS HB2 . 36341 1 674 . 1 . 1 94 94 LYS HG2 H 1 1.482 0.00 . 2 . . . . A 94 LYS HG2 . 36341 1 675 . 1 . 1 94 94 LYS HD2 H 1 1.667 0.01 . 2 . . . . A 94 LYS HD2 . 36341 1 676 . 1 . 1 94 94 LYS N N 15 120.506 0.02 . 1 . . . . A 94 LYS N . 36341 1 677 . 1 . 1 95 95 THR H H 1 8.587 0.01 . 1 . . . . A 95 THR H . 36341 1 678 . 1 . 1 95 95 THR HA H 1 3.824 0.00 . 1 . . . . A 95 THR HA . 36341 1 679 . 1 . 1 95 95 THR HB H 1 4.359 0.00 . 1 . . . . A 95 THR HB . 36341 1 680 . 1 . 1 95 95 THR HG21 H 1 1.246 0.00 . 1 . . . . A 95 THR HG21 . 36341 1 681 . 1 . 1 95 95 THR HG22 H 1 1.246 0.00 . 1 . . . . A 95 THR HG22 . 36341 1 682 . 1 . 1 95 95 THR HG23 H 1 1.246 0.00 . 1 . . . . A 95 THR HG23 . 36341 1 683 . 1 . 1 95 95 THR CG2 C 13 21.239 0.01 . 1 . . . . A 95 THR CG2 . 36341 1 684 . 1 . 1 95 95 THR N N 15 116.450 0.02 . 1 . . . . A 95 THR N . 36341 1 685 . 1 . 1 96 96 GLU H H 1 8.225 0.00 . 1 . . . . A 96 GLU H . 36341 1 686 . 1 . 1 96 96 GLU HA H 1 4.284 0.00 . 1 . . . . A 96 GLU HA . 36341 1 687 . 1 . 1 96 96 GLU HB2 H 1 2.159 0.01 . 2 . . . . A 96 GLU HB2 . 36341 1 688 . 1 . 1 96 96 GLU HB3 H 1 2.070 0.00 . 2 . . . . A 96 GLU HB3 . 36341 1 689 . 1 . 1 96 96 GLU HG2 H 1 2.433 0.01 . 2 . . . . A 96 GLU HG2 . 36341 1 690 . 1 . 1 96 96 GLU HG3 H 1 2.299 0.01 . 2 . . . . A 96 GLU HG3 . 36341 1 691 . 1 . 1 96 96 GLU N N 15 124.073 0.01 . 1 . . . . A 96 GLU N . 36341 1 692 . 1 . 1 97 97 ALA H H 1 8.067 0.00 . 1 . . . . A 97 ALA H . 36341 1 693 . 1 . 1 97 97 ALA HA H 1 4.275 0.00 . 1 . . . . A 97 ALA HA . 36341 1 694 . 1 . 1 97 97 ALA HB1 H 1 1.616 0.00 . 1 . . . . A 97 ALA HB1 . 36341 1 695 . 1 . 1 97 97 ALA HB2 H 1 1.616 0.00 . 1 . . . . A 97 ALA HB2 . 36341 1 696 . 1 . 1 97 97 ALA HB3 H 1 1.616 0.00 . 1 . . . . A 97 ALA HB3 . 36341 1 697 . 1 . 1 97 97 ALA CB C 13 18.814 0.01 . 1 . . . . A 97 ALA CB . 36341 1 698 . 1 . 1 97 97 ALA N N 15 122.389 0.03 . 1 . . . . A 97 ALA N . 36341 1 699 . 1 . 1 98 98 LEU H H 1 8.714 0.00 . 1 . . . . A 98 LEU H . 36341 1 700 . 1 . 1 98 98 LEU HA H 1 4.137 0.01 . 1 . . . . A 98 LEU HA . 36341 1 701 . 1 . 1 98 98 LEU HB2 H 1 1.885 0.00 . 1 . . . . A 98 LEU HB2 . 36341 1 702 . 1 . 1 98 98 LEU HG H 1 1.797 0.00 . 1 . . . . A 98 LEU HG . 36341 1 703 . 1 . 1 98 98 LEU HD11 H 1 0.953 0.01 . 2 . . . . A 98 LEU HD11 . 36341 1 704 . 1 . 1 98 98 LEU HD12 H 1 0.953 0.01 . 2 . . . . A 98 LEU HD12 . 36341 1 705 . 1 . 1 98 98 LEU HD13 H 1 0.953 0.01 . 2 . . . . A 98 LEU HD13 . 36341 1 706 . 1 . 1 98 98 LEU HD21 H 1 0.859 0.00 . 2 . . . . A 98 LEU HD21 . 36341 1 707 . 1 . 1 98 98 LEU HD22 H 1 0.859 0.00 . 2 . . . . A 98 LEU HD22 . 36341 1 708 . 1 . 1 98 98 LEU HD23 H 1 0.859 0.00 . 2 . . . . A 98 LEU HD23 . 36341 1 709 . 1 . 1 98 98 LEU CD1 C 13 25.189 0.01 . 2 . . . . A 98 LEU CD1 . 36341 1 710 . 1 . 1 98 98 LEU CD2 C 13 25.380 0.00 . 2 . . . . A 98 LEU CD2 . 36341 1 711 . 1 . 1 98 98 LEU N N 15 120.357 0.01 . 1 . . . . A 98 LEU N . 36341 1 712 . 1 . 1 99 99 SER H H 1 8.507 0.00 . 1 . . . . A 99 SER H . 36341 1 713 . 1 . 1 99 99 SER HA H 1 4.278 0.00 . 1 . . . . A 99 SER HA . 36341 1 714 . 1 . 1 99 99 SER HB2 H 1 4.077 0.02 . 2 . . . . A 99 SER HB2 . 36341 1 715 . 1 . 1 99 99 SER N N 15 115.819 0.03 . 1 . . . . A 99 SER N . 36341 1 716 . 1 . 1 100 100 GLN H H 1 8.208 0.00 . 1 . . . . A 100 GLN H . 36341 1 717 . 1 . 1 100 100 GLN HA H 1 4.182 0.00 . 1 . . . . A 100 GLN HA . 36341 1 718 . 1 . 1 100 100 GLN HB2 H 1 2.218 0.00 . 2 . . . . A 100 GLN HB2 . 36341 1 719 . 1 . 1 100 100 GLN HG2 H 1 2.553 0.00 . 2 . . . . A 100 GLN HG2 . 36341 1 720 . 1 . 1 100 100 GLN HE21 H 1 7.719 0.00 . 2 . . . . A 100 GLN HE21 . 36341 1 721 . 1 . 1 100 100 GLN HE22 H 1 6.917 0.00 . 2 . . . . A 100 GLN HE22 . 36341 1 722 . 1 . 1 100 100 GLN N N 15 120.065 0.01 . 1 . . . . A 100 GLN N . 36341 1 723 . 1 . 1 100 100 GLN NE2 N 15 112.552 0.01 . 1 . . . . A 100 GLN NE2 . 36341 1 724 . 1 . 1 101 101 ALA H H 1 7.879 0.00 . 1 . . . . A 101 ALA H . 36341 1 725 . 1 . 1 101 101 ALA HA H 1 4.150 0.01 . 1 . . . . A 101 ALA HA . 36341 1 726 . 1 . 1 101 101 ALA HB1 H 1 1.485 0.01 . 1 . . . . A 101 ALA HB1 . 36341 1 727 . 1 . 1 101 101 ALA HB2 H 1 1.485 0.01 . 1 . . . . A 101 ALA HB2 . 36341 1 728 . 1 . 1 101 101 ALA HB3 H 1 1.485 0.01 . 1 . . . . A 101 ALA HB3 . 36341 1 729 . 1 . 1 101 101 ALA CB C 13 18.169 0.02 . 1 . . . . A 101 ALA CB . 36341 1 730 . 1 . 1 101 101 ALA N N 15 122.376 0.03 . 1 . . . . A 101 ALA N . 36341 1 731 . 1 . 1 102 102 LEU H H 1 8.907 0.00 . 1 . . . . A 102 LEU H . 36341 1 732 . 1 . 1 102 102 LEU HA H 1 3.939 0.00 . 1 . . . . A 102 LEU HA . 36341 1 733 . 1 . 1 102 102 LEU HB2 H 1 2.477 0.00 . 2 . . . . A 102 LEU HB2 . 36341 1 734 . 1 . 1 102 102 LEU HB3 H 1 2.205 0.00 . 2 . . . . A 102 LEU HB3 . 36341 1 735 . 1 . 1 102 102 LEU HG H 1 1.613 0.00 . 1 . . . . A 102 LEU HG . 36341 1 736 . 1 . 1 102 102 LEU HD11 H 1 1.174 0.00 . 2 . . . . A 102 LEU HD11 . 36341 1 737 . 1 . 1 102 102 LEU HD12 H 1 1.174 0.00 . 2 . . . . A 102 LEU HD12 . 36341 1 738 . 1 . 1 102 102 LEU HD13 H 1 1.174 0.00 . 2 . . . . A 102 LEU HD13 . 36341 1 739 . 1 . 1 102 102 LEU HD21 H 1 1.302 0.00 . 2 . . . . A 102 LEU HD21 . 36341 1 740 . 1 . 1 102 102 LEU HD22 H 1 1.302 0.00 . 2 . . . . A 102 LEU HD22 . 36341 1 741 . 1 . 1 102 102 LEU HD23 H 1 1.302 0.00 . 2 . . . . A 102 LEU HD23 . 36341 1 742 . 1 . 1 102 102 LEU CD1 C 13 26.785 0.01 . 2 . . . . A 102 LEU CD1 . 36341 1 743 . 1 . 1 102 102 LEU CD2 C 13 26.000 0.01 . 2 . . . . A 102 LEU CD2 . 36341 1 744 . 1 . 1 102 102 LEU N N 15 117.707 0.04 . 1 . . . . A 102 LEU N . 36341 1 745 . 1 . 1 103 103 LYS H H 1 8.142 0.00 . 1 . . . . A 103 LYS H . 36341 1 746 . 1 . 1 103 103 LYS HA H 1 4.059 0.01 . 1 . . . . A 103 LYS HA . 36341 1 747 . 1 . 1 103 103 LYS HB2 H 1 2.077 0.00 . 2 . . . . A 103 LYS HB2 . 36341 1 748 . 1 . 1 103 103 LYS HG2 H 1 1.434 0.00 . 2 . . . . A 103 LYS HG2 . 36341 1 749 . 1 . 1 103 103 LYS HD2 H 1 1.777 0.02 . 2 . . . . A 103 LYS HD2 . 36341 1 750 . 1 . 1 103 103 LYS HE2 H 1 2.727 0.00 . 2 . . . . A 103 LYS HE2 . 36341 1 751 . 1 . 1 103 103 LYS HE3 H 1 2.620 0.00 . 2 . . . . A 103 LYS HE3 . 36341 1 752 . 1 . 1 103 103 LYS N N 15 119.470 0.03 . 1 . . . . A 103 LYS N . 36341 1 753 . 1 . 1 104 104 GLN H H 1 8.424 0.01 . 1 . . . . A 104 GLN H . 36341 1 754 . 1 . 1 104 104 GLN HA H 1 4.117 0.01 . 1 . . . . A 104 GLN HA . 36341 1 755 . 1 . 1 104 104 GLN HB2 H 1 2.272 0.00 . 2 . . . . A 104 GLN HB2 . 36341 1 756 . 1 . 1 104 104 GLN HB3 H 1 2.076 0.00 . 2 . . . . A 104 GLN HB3 . 36341 1 757 . 1 . 1 104 104 GLN HG2 H 1 2.718 0.00 . 2 . . . . A 104 GLN HG2 . 36341 1 758 . 1 . 1 104 104 GLN HG3 H 1 2.566 0.00 . 2 . . . . A 104 GLN HG3 . 36341 1 759 . 1 . 1 104 104 GLN HE21 H 1 7.447 0.00 . 2 . . . . A 104 GLN HE21 . 36341 1 760 . 1 . 1 104 104 GLN HE22 H 1 6.870 0.00 . 2 . . . . A 104 GLN HE22 . 36341 1 761 . 1 . 1 104 104 GLN N N 15 117.886 0.04 . 1 . . . . A 104 GLN N . 36341 1 762 . 1 . 1 104 104 GLN NE2 N 15 110.689 0.00 . 1 . . . . A 104 GLN NE2 . 36341 1 763 . 1 . 1 105 105 CYS H H 1 8.825 0.00 . 1 . . . . A 105 CYS H . 36341 1 764 . 1 . 1 105 105 CYS HA H 1 4.883 0.00 . 1 . . . . A 105 CYS HA . 36341 1 765 . 1 . 1 105 105 CYS HB2 H 1 2.691 0.00 . 2 . . . . A 105 CYS HB2 . 36341 1 766 . 1 . 1 105 105 CYS HB3 H 1 2.612 0.01 . 2 . . . . A 105 CYS HB3 . 36341 1 767 . 1 . 1 105 105 CYS N N 15 116.994 0.02 . 1 . . . . A 105 CYS N . 36341 1 768 . 1 . 1 106 106 PHE H H 1 9.408 0.00 . 1 . . . . A 106 PHE H . 36341 1 769 . 1 . 1 106 106 PHE HA H 1 4.055 0.01 . 1 . . . . A 106 PHE HA . 36341 1 770 . 1 . 1 106 106 PHE HB2 H 1 3.621 0.00 . 2 . . . . A 106 PHE HB2 . 36341 1 771 . 1 . 1 106 106 PHE HB3 H 1 3.431 0.01 . 2 . . . . A 106 PHE HB3 . 36341 1 772 . 1 . 1 106 106 PHE HD1 H 1 7.210 0.00 . 3 . . . . A 106 PHE HD1 . 36341 1 773 . 1 . 1 106 106 PHE HE1 H 1 6.728 0.00 . 3 . . . . A 106 PHE HE1 . 36341 1 774 . 1 . 1 106 106 PHE N N 15 126.850 0.02 . 1 . . . . A 106 PHE N . 36341 1 775 . 1 . 1 107 107 ARG H H 1 8.059 0.00 . 1 . . . . A 107 ARG H . 36341 1 776 . 1 . 1 107 107 ARG HA H 1 4.030 0.01 . 1 . . . . A 107 ARG HA . 36341 1 777 . 1 . 1 107 107 ARG HB2 H 1 2.006 0.01 . 2 . . . . A 107 ARG HB2 . 36341 1 778 . 1 . 1 107 107 ARG HB3 H 1 1.969 0.00 . 2 . . . . A 107 ARG HB3 . 36341 1 779 . 1 . 1 107 107 ARG HG2 H 1 1.723 0.01 . 2 . . . . A 107 ARG HG2 . 36341 1 780 . 1 . 1 107 107 ARG HG3 H 1 1.626 0.01 . 2 . . . . A 107 ARG HG3 . 36341 1 781 . 1 . 1 107 107 ARG HD2 H 1 3.217 0.00 . 2 . . . . A 107 ARG HD2 . 36341 1 782 . 1 . 1 107 107 ARG N N 15 118.922 0.02 . 1 . . . . A 107 ARG N . 36341 1 783 . 1 . 1 108 108 SER H H 1 8.478 0.00 . 1 . . . . A 108 SER H . 36341 1 784 . 1 . 1 108 108 SER HA H 1 4.293 0.00 . 1 . . . . A 108 SER HA . 36341 1 785 . 1 . 1 108 108 SER HB2 H 1 3.958 0.00 . 2 . . . . A 108 SER HB2 . 36341 1 786 . 1 . 1 108 108 SER HB3 H 1 4.046 0.00 . 2 . . . . A 108 SER HB3 . 36341 1 787 . 1 . 1 108 108 SER N N 15 112.167 0.02 . 1 . . . . A 108 SER N . 36341 1 788 . 1 . 1 109 109 THR H H 1 7.874 0.00 . 1 . . . . A 109 THR H . 36341 1 789 . 1 . 1 109 109 THR HA H 1 4.466 0.00 . 1 . . . . A 109 THR HA . 36341 1 790 . 1 . 1 109 109 THR HB H 1 4.070 0.01 . 1 . . . . A 109 THR HB . 36341 1 791 . 1 . 1 109 109 THR HG21 H 1 1.277 0.00 . 1 . . . . A 109 THR HG21 . 36341 1 792 . 1 . 1 109 109 THR HG22 H 1 1.277 0.00 . 1 . . . . A 109 THR HG22 . 36341 1 793 . 1 . 1 109 109 THR HG23 H 1 1.277 0.00 . 1 . . . . A 109 THR HG23 . 36341 1 794 . 1 . 1 109 109 THR CG2 C 13 21.907 0.01 . 1 . . . . A 109 THR CG2 . 36341 1 795 . 1 . 1 109 109 THR N N 15 111.316 0.02 . 1 . . . . A 109 THR N . 36341 1 796 . 1 . 1 110 110 MET H H 1 8.136 0.01 . 1 . . . . A 110 MET H . 36341 1 797 . 1 . 1 110 110 MET HA H 1 4.671 0.00 . 1 . . . . A 110 MET HA . 36341 1 798 . 1 . 1 110 110 MET HB2 H 1 2.090 0.03 . 2 . . . . A 110 MET HB2 . 36341 1 799 . 1 . 1 110 110 MET HB3 H 1 2.034 0.02 . 2 . . . . A 110 MET HB3 . 36341 1 800 . 1 . 1 110 110 MET HG2 H 1 2.189 0.00 . 2 . . . . A 110 MET HG2 . 36341 1 801 . 1 . 1 110 110 MET HG3 H 1 1.875 0.00 . 2 . . . . A 110 MET HG3 . 36341 1 802 . 1 . 1 110 110 MET HE1 H 1 1.487 0.00 . 1 . . . . A 110 MET HE1 . 36341 1 803 . 1 . 1 110 110 MET HE2 H 1 1.487 0.00 . 1 . . . . A 110 MET HE2 . 36341 1 804 . 1 . 1 110 110 MET HE3 H 1 1.487 0.00 . 1 . . . . A 110 MET HE3 . 36341 1 805 . 1 . 1 110 110 MET CE C 13 16.779 0.01 . 1 . . . . A 110 MET CE . 36341 1 806 . 1 . 1 110 110 MET N N 15 117.926 0.02 . 1 . . . . A 110 MET N . 36341 1 807 . 1 . 1 111 111 GLY H H 1 7.823 0.01 . 1 . . . . A 111 GLY H . 36341 1 808 . 1 . 1 111 111 GLY HA2 H 1 4.281 0.01 . 2 . . . . A 111 GLY HA2 . 36341 1 809 . 1 . 1 111 111 GLY HA3 H 1 3.925 0.01 . 2 . . . . A 111 GLY HA3 . 36341 1 810 . 1 . 1 111 111 GLY N N 15 109.385 0.03 . 1 . . . . A 111 GLY N . 36341 1 811 . 1 . 1 112 112 THR H H 1 7.377 0.00 . 1 . . . . A 112 THR H . 36341 1 812 . 1 . 1 112 112 THR HA H 1 4.560 0.00 . 1 . . . . A 112 THR HA . 36341 1 813 . 1 . 1 112 112 THR HB H 1 4.085 0.00 . 1 . . . . A 112 THR HB . 36341 1 814 . 1 . 1 112 112 THR HG21 H 1 1.040 0.01 . 1 . . . . A 112 THR HG21 . 36341 1 815 . 1 . 1 112 112 THR HG22 H 1 1.040 0.01 . 1 . . . . A 112 THR HG22 . 36341 1 816 . 1 . 1 112 112 THR HG23 H 1 1.040 0.01 . 1 . . . . A 112 THR HG23 . 36341 1 817 . 1 . 1 112 112 THR CG2 C 13 20.360 0.00 . 1 . . . . A 112 THR CG2 . 36341 1 818 . 1 . 1 112 112 THR N N 15 112.432 0.01 . 1 . . . . A 112 THR N . 36341 1 819 . 1 . 1 113 113 VAL H H 1 8.227 0.00 . 1 . . . . A 113 VAL H . 36341 1 820 . 1 . 1 113 113 VAL HA H 1 3.734 0.01 . 1 . . . . A 113 VAL HA . 36341 1 821 . 1 . 1 113 113 VAL HB H 1 2.006 0.01 . 1 . . . . A 113 VAL HB . 36341 1 822 . 1 . 1 113 113 VAL HG11 H 1 0.783 0.01 . 2 . . . . A 113 VAL HG11 . 36341 1 823 . 1 . 1 113 113 VAL HG12 H 1 0.783 0.01 . 2 . . . . A 113 VAL HG12 . 36341 1 824 . 1 . 1 113 113 VAL HG13 H 1 0.783 0.01 . 2 . . . . A 113 VAL HG13 . 36341 1 825 . 1 . 1 113 113 VAL HG21 H 1 1.023 0.00 . 2 . . . . A 113 VAL HG21 . 36341 1 826 . 1 . 1 113 113 VAL HG22 H 1 1.023 0.00 . 2 . . . . A 113 VAL HG22 . 36341 1 827 . 1 . 1 113 113 VAL HG23 H 1 1.023 0.00 . 2 . . . . A 113 VAL HG23 . 36341 1 828 . 1 . 1 113 113 VAL CG1 C 13 21.795 0.00 . 2 . . . . A 113 VAL CG1 . 36341 1 829 . 1 . 1 113 113 VAL CG2 C 13 21.861 0.01 . 2 . . . . A 113 VAL CG2 . 36341 1 830 . 1 . 1 113 113 VAL N N 15 120.085 0.05 . 1 . . . . A 113 VAL N . 36341 1 831 . 1 . 1 114 114 ASN H H 1 5.811 0.01 . 1 . . . . A 114 ASN H . 36341 1 832 . 1 . 1 114 114 ASN N N 15 123.025 0.02 . 1 . . . . A 114 ASN N . 36341 1 833 . 1 . 1 115 115 ARG H H 1 8.508 0.00 . 1 . . . . A 115 ARG H . 36341 1 834 . 1 . 1 115 115 ARG HA H 1 3.859 0.00 . 1 . . . . A 115 ARG HA . 36341 1 835 . 1 . 1 115 115 ARG HB2 H 1 1.861 0.00 . 2 . . . . A 115 ARG HB2 . 36341 1 836 . 1 . 1 115 115 ARG HB3 H 1 1.808 0.00 . 2 . . . . A 115 ARG HB3 . 36341 1 837 . 1 . 1 115 115 ARG HG2 H 1 1.706 0.00 . 2 . . . . A 115 ARG HG2 . 36341 1 838 . 1 . 1 115 115 ARG HG3 H 1 1.611 0.00 . 2 . . . . A 115 ARG HG3 . 36341 1 839 . 1 . 1 115 115 ARG N N 15 124.992 0.07 . 1 . . . . A 115 ARG N . 36341 1 840 . 1 . 1 116 116 GLN H H 1 8.321 0.00 . 1 . . . . A 116 GLN H . 36341 1 841 . 1 . 1 116 116 GLN HA H 1 4.018 0.00 . 1 . . . . A 116 GLN HA . 36341 1 842 . 1 . 1 116 116 GLN HB2 H 1 2.196 0.00 . 2 . . . . A 116 GLN HB2 . 36341 1 843 . 1 . 1 116 116 GLN HB3 H 1 2.143 0.00 . 2 . . . . A 116 GLN HB3 . 36341 1 844 . 1 . 1 116 116 GLN HG2 H 1 2.463 0.00 . 2 . . . . A 116 GLN HG2 . 36341 1 845 . 1 . 1 116 116 GLN HE21 H 1 7.689 0.00 . 2 . . . . A 116 GLN HE21 . 36341 1 846 . 1 . 1 116 116 GLN HE22 H 1 6.879 0.00 . 2 . . . . A 116 GLN HE22 . 36341 1 847 . 1 . 1 116 116 GLN N N 15 120.457 0.05 . 1 . . . . A 116 GLN N . 36341 1 848 . 1 . 1 116 116 GLN NE2 N 15 112.727 0.02 . 1 . . . . A 116 GLN NE2 . 36341 1 849 . 1 . 1 117 117 PHE H H 1 7.537 0.00 . 1 . . . . A 117 PHE H . 36341 1 850 . 1 . 1 117 117 PHE HA H 1 4.219 0.00 . 1 . . . . A 117 PHE HA . 36341 1 851 . 1 . 1 117 117 PHE HB2 H 1 3.063 0.00 . 2 . . . . A 117 PHE HB2 . 36341 1 852 . 1 . 1 117 117 PHE HB3 H 1 2.773 0.01 . 2 . . . . A 117 PHE HB3 . 36341 1 853 . 1 . 1 117 117 PHE HD1 H 1 7.212 0.00 . 3 . . . . A 117 PHE HD1 . 36341 1 854 . 1 . 1 117 117 PHE HE1 H 1 7.459 0.00 . 3 . . . . A 117 PHE HE1 . 36341 1 855 . 1 . 1 117 117 PHE CD1 C 13 132.281 0.00 . 3 . . . . A 117 PHE CD1 . 36341 1 856 . 1 . 1 117 117 PHE N N 15 120.346 0.02 . 1 . . . . A 117 PHE N . 36341 1 857 . 1 . 1 118 118 ILE H H 1 7.355 0.01 . 1 . . . . A 118 ILE H . 36341 1 858 . 1 . 1 118 118 ILE HA H 1 3.492 0.00 . 1 . . . . A 118 ILE HA . 36341 1 859 . 1 . 1 118 118 ILE HB H 1 2.093 0.00 . 1 . . . . A 118 ILE HB . 36341 1 860 . 1 . 1 118 118 ILE HG12 H 1 1.853 0.00 . 2 . . . . A 118 ILE HG12 . 36341 1 861 . 1 . 1 118 118 ILE HG13 H 1 1.427 0.00 . 2 . . . . A 118 ILE HG13 . 36341 1 862 . 1 . 1 118 118 ILE HG21 H 1 1.009 0.00 . 1 . . . . A 118 ILE HG21 . 36341 1 863 . 1 . 1 118 118 ILE HG22 H 1 1.009 0.00 . 1 . . . . A 118 ILE HG22 . 36341 1 864 . 1 . 1 118 118 ILE HG23 H 1 1.009 0.00 . 1 . . . . A 118 ILE HG23 . 36341 1 865 . 1 . 1 118 118 ILE HD11 H 1 0.939 0.00 . 1 . . . . A 118 ILE HD11 . 36341 1 866 . 1 . 1 118 118 ILE HD12 H 1 0.939 0.00 . 1 . . . . A 118 ILE HD12 . 36341 1 867 . 1 . 1 118 118 ILE HD13 H 1 0.939 0.00 . 1 . . . . A 118 ILE HD13 . 36341 1 868 . 1 . 1 118 118 ILE CG2 C 13 17.419 0.01 . 1 . . . . A 118 ILE CG2 . 36341 1 869 . 1 . 1 118 118 ILE CD1 C 13 12.785 0.01 . 1 . . . . A 118 ILE CD1 . 36341 1 870 . 1 . 1 118 118 ILE N N 15 117.101 0.03 . 1 . . . . A 118 ILE N . 36341 1 871 . 1 . 1 119 119 THR H H 1 8.214 0.00 . 1 . . . . A 119 THR H . 36341 1 872 . 1 . 1 119 119 THR HA H 1 3.789 0.01 . 1 . . . . A 119 THR HA . 36341 1 873 . 1 . 1 119 119 THR HB H 1 4.228 0.00 . 1 . . . . A 119 THR HB . 36341 1 874 . 1 . 1 119 119 THR HG21 H 1 1.198 0.00 . 1 . . . . A 119 THR HG21 . 36341 1 875 . 1 . 1 119 119 THR HG22 H 1 1.198 0.00 . 1 . . . . A 119 THR HG22 . 36341 1 876 . 1 . 1 119 119 THR HG23 H 1 1.198 0.00 . 1 . . . . A 119 THR HG23 . 36341 1 877 . 1 . 1 119 119 THR CG2 C 13 21.932 0.00 . 1 . . . . A 119 THR CG2 . 36341 1 878 . 1 . 1 119 119 THR N N 15 115.821 0.03 . 1 . . . . A 119 THR N . 36341 1 879 . 1 . 1 120 120 GLU H H 1 8.274 0.00 . 1 . . . . A 120 GLU H . 36341 1 880 . 1 . 1 120 120 GLU HA H 1 4.133 0.00 . 1 . . . . A 120 GLU HA . 36341 1 881 . 1 . 1 120 120 GLU HB2 H 1 2.356 0.00 . 2 . . . . A 120 GLU HB2 . 36341 1 882 . 1 . 1 120 120 GLU HB3 H 1 2.222 0.00 . 2 . . . . A 120 GLU HB3 . 36341 1 883 . 1 . 1 120 120 GLU HG2 H 1 2.170 0.01 . 2 . . . . A 120 GLU HG2 . 36341 1 884 . 1 . 1 120 120 GLU HG3 H 1 1.976 0.00 . 2 . . . . A 120 GLU HG3 . 36341 1 885 . 1 . 1 120 120 GLU N N 15 122.985 0.02 . 1 . . . . A 120 GLU N . 36341 1 886 . 1 . 1 121 121 ILE H H 1 8.348 0.01 . 1 . . . . A 121 ILE H . 36341 1 887 . 1 . 1 121 121 ILE HA H 1 3.766 0.00 . 1 . . . . A 121 ILE HA . 36341 1 888 . 1 . 1 121 121 ILE HB H 1 1.995 0.00 . 1 . . . . A 121 ILE HB . 36341 1 889 . 1 . 1 121 121 ILE HG12 H 1 1.384 0.00 . 2 . . . . A 121 ILE HG12 . 36341 1 890 . 1 . 1 121 121 ILE HG13 H 1 0.976 0.00 . 2 . . . . A 121 ILE HG13 . 36341 1 891 . 1 . 1 121 121 ILE HG21 H 1 0.952 0.01 . 1 . . . . A 121 ILE HG21 . 36341 1 892 . 1 . 1 121 121 ILE HG22 H 1 0.952 0.01 . 1 . . . . A 121 ILE HG22 . 36341 1 893 . 1 . 1 121 121 ILE HG23 H 1 0.952 0.01 . 1 . . . . A 121 ILE HG23 . 36341 1 894 . 1 . 1 121 121 ILE HD11 H 1 0.738 0.00 . 1 . . . . A 121 ILE HD11 . 36341 1 895 . 1 . 1 121 121 ILE HD12 H 1 0.738 0.00 . 1 . . . . A 121 ILE HD12 . 36341 1 896 . 1 . 1 121 121 ILE HD13 H 1 0.738 0.00 . 1 . . . . A 121 ILE HD13 . 36341 1 897 . 1 . 1 121 121 ILE CG2 C 13 18.665 0.01 . 1 . . . . A 121 ILE CG2 . 36341 1 898 . 1 . 1 121 121 ILE CD1 C 13 10.193 0.01 . 1 . . . . A 121 ILE CD1 . 36341 1 899 . 1 . 1 121 121 ILE N N 15 118.248 0.04 . 1 . . . . A 121 ILE N . 36341 1 900 . 1 . 1 122 122 LYS H H 1 8.396 0.01 . 1 . . . . A 122 LYS H . 36341 1 901 . 1 . 1 122 122 LYS HA H 1 3.934 0.00 . 1 . . . . A 122 LYS HA . 36341 1 902 . 1 . 1 122 122 LYS HB2 H 1 1.929 0.01 . 2 . . . . A 122 LYS HB2 . 36341 1 903 . 1 . 1 122 122 LYS HG2 H 1 1.313 0.00 . 2 . . . . A 122 LYS HG2 . 36341 1 904 . 1 . 1 122 122 LYS N N 15 120.466 0.03 . 1 . . . . A 122 LYS N . 36341 1 905 . 1 . 1 123 123 HIS H H 1 8.236 0.00 . 1 . . . . A 123 HIS H . 36341 1 906 . 1 . 1 123 123 HIS HA H 1 4.417 0.01 . 1 . . . . A 123 HIS HA . 36341 1 907 . 1 . 1 123 123 HIS HB2 H 1 3.308 0.00 . 2 . . . . A 123 HIS HB2 . 36341 1 908 . 1 . 1 123 123 HIS HB3 H 1 3.266 0.00 . 2 . . . . A 123 HIS HB3 . 36341 1 909 . 1 . 1 123 123 HIS HD2 H 1 6.991 0.00 . 1 . . . . A 123 HIS HD2 . 36341 1 910 . 1 . 1 123 123 HIS CD2 C 13 119.485 0.00 . 1 . . . . A 123 HIS CD2 . 36341 1 911 . 1 . 1 123 123 HIS N N 15 119.905 0.06 . 1 . . . . A 123 HIS N . 36341 1 912 . 1 . 1 124 124 LEU H H 1 8.483 0.01 . 1 . . . . A 124 LEU H . 36341 1 913 . 1 . 1 124 124 LEU HA H 1 3.762 0.00 . 1 . . . . A 124 LEU HA . 36341 1 914 . 1 . 1 124 124 LEU HB2 H 1 2.002 0.00 . 2 . . . . A 124 LEU HB2 . 36341 1 915 . 1 . 1 124 124 LEU HB3 H 1 1.949 0.00 . 2 . . . . A 124 LEU HB3 . 36341 1 916 . 1 . 1 124 124 LEU HG H 1 1.198 0.01 . 1 . . . . A 124 LEU HG . 36341 1 917 . 1 . 1 124 124 LEU HD11 H 1 0.936 0.01 . 2 . . . . A 124 LEU HD11 . 36341 1 918 . 1 . 1 124 124 LEU HD12 H 1 0.936 0.01 . 2 . . . . A 124 LEU HD12 . 36341 1 919 . 1 . 1 124 124 LEU HD13 H 1 0.936 0.01 . 2 . . . . A 124 LEU HD13 . 36341 1 920 . 1 . 1 124 124 LEU HD21 H 1 0.850 0.01 . 2 . . . . A 124 LEU HD21 . 36341 1 921 . 1 . 1 124 124 LEU HD22 H 1 0.850 0.01 . 2 . . . . A 124 LEU HD22 . 36341 1 922 . 1 . 1 124 124 LEU HD23 H 1 0.850 0.01 . 2 . . . . A 124 LEU HD23 . 36341 1 923 . 1 . 1 124 124 LEU CD1 C 13 26.162 0.02 . 2 . . . . A 124 LEU CD1 . 36341 1 924 . 1 . 1 124 124 LEU CD2 C 13 22.516 0.01 . 2 . . . . A 124 LEU CD2 . 36341 1 925 . 1 . 1 124 124 LEU N N 15 119.950 0.02 . 1 . . . . A 124 LEU N . 36341 1 926 . 1 . 1 125 125 MET H H 1 8.905 0.00 . 1 . . . . A 125 MET H . 36341 1 927 . 1 . 1 125 125 MET HA H 1 4.098 0.01 . 1 . . . . A 125 MET HA . 36341 1 928 . 1 . 1 125 125 MET HB2 H 1 2.308 0.01 . 2 . . . . A 125 MET HB2 . 36341 1 929 . 1 . 1 125 125 MET HB3 H 1 2.091 0.01 . 2 . . . . A 125 MET HB3 . 36341 1 930 . 1 . 1 125 125 MET HG2 H 1 2.782 0.00 . 2 . . . . A 125 MET HG2 . 36341 1 931 . 1 . 1 125 125 MET HG3 H 1 2.647 0.00 . 2 . . . . A 125 MET HG3 . 36341 1 932 . 1 . 1 125 125 MET HE1 H 1 1.964 0.00 . 1 . . . . A 125 MET HE1 . 36341 1 933 . 1 . 1 125 125 MET HE2 H 1 1.964 0.00 . 1 . . . . A 125 MET HE2 . 36341 1 934 . 1 . 1 125 125 MET HE3 H 1 1.964 0.00 . 1 . . . . A 125 MET HE3 . 36341 1 935 . 1 . 1 125 125 MET CE C 13 16.659 0.01 . 1 . . . . A 125 MET CE . 36341 1 936 . 1 . 1 125 125 MET N N 15 117.654 0.02 . 1 . . . . A 125 MET N . 36341 1 937 . 1 . 1 126 126 THR H H 1 7.978 0.00 . 1 . . . . A 126 THR H . 36341 1 938 . 1 . 1 126 126 THR HA H 1 3.923 0.00 . 1 . . . . A 126 THR HA . 36341 1 939 . 1 . 1 126 126 THR HB H 1 4.349 0.00 . 1 . . . . A 126 THR HB . 36341 1 940 . 1 . 1 126 126 THR HG21 H 1 1.292 0.01 . 1 . . . . A 126 THR HG21 . 36341 1 941 . 1 . 1 126 126 THR HG22 H 1 1.292 0.01 . 1 . . . . A 126 THR HG22 . 36341 1 942 . 1 . 1 126 126 THR HG23 H 1 1.292 0.01 . 1 . . . . A 126 THR HG23 . 36341 1 943 . 1 . 1 126 126 THR CG2 C 13 21.520 0.00 . 1 . . . . A 126 THR CG2 . 36341 1 944 . 1 . 1 126 126 THR N N 15 114.931 0.02 . 1 . . . . A 126 THR N . 36341 1 945 . 1 . 1 127 127 MET H H 1 7.773 0.00 . 1 . . . . A 127 MET H . 36341 1 946 . 1 . 1 127 127 MET HA H 1 4.130 0.01 . 1 . . . . A 127 MET HA . 36341 1 947 . 1 . 1 127 127 MET HB2 H 1 1.977 0.00 . 2 . . . . A 127 MET HB2 . 36341 1 948 . 1 . 1 127 127 MET HB3 H 1 1.901 0.00 . 2 . . . . A 127 MET HB3 . 36341 1 949 . 1 . 1 127 127 MET HG2 H 1 2.394 0.00 . 2 . . . . A 127 MET HG2 . 36341 1 950 . 1 . 1 127 127 MET HG3 H 1 2.136 0.00 . 2 . . . . A 127 MET HG3 . 36341 1 951 . 1 . 1 127 127 MET HE1 H 1 1.721 0.01 . 1 . . . . A 127 MET HE1 . 36341 1 952 . 1 . 1 127 127 MET HE2 H 1 1.721 0.01 . 1 . . . . A 127 MET HE2 . 36341 1 953 . 1 . 1 127 127 MET HE3 H 1 1.721 0.01 . 1 . . . . A 127 MET HE3 . 36341 1 954 . 1 . 1 127 127 MET CE C 13 16.757 0.01 . 1 . . . . A 127 MET CE . 36341 1 955 . 1 . 1 127 127 MET N N 15 122.761 0.01 . 1 . . . . A 127 MET N . 36341 1 956 . 1 . 1 128 128 PHE H H 1 8.514 0.00 . 1 . . . . A 128 PHE H . 36341 1 957 . 1 . 1 128 128 PHE HA H 1 4.441 0.01 . 1 . . . . A 128 PHE HA . 36341 1 958 . 1 . 1 128 128 PHE HB2 H 1 3.239 0.00 . 2 . . . . A 128 PHE HB2 . 36341 1 959 . 1 . 1 128 128 PHE HB3 H 1 2.926 0.00 . 2 . . . . A 128 PHE HB3 . 36341 1 960 . 1 . 1 128 128 PHE HD1 H 1 7.161 0.00 . 3 . . . . A 128 PHE HD1 . 36341 1 961 . 1 . 1 128 128 PHE HE1 H 1 7.306 0.00 . 3 . . . . A 128 PHE HE1 . 36341 1 962 . 1 . 1 128 128 PHE CD1 C 13 131.279 0.04 . 3 . . . . A 128 PHE CD1 . 36341 1 963 . 1 . 1 128 128 PHE CE1 C 13 131.160 0.00 . 3 . . . . A 128 PHE CE1 . 36341 1 964 . 1 . 1 128 128 PHE N N 15 119.130 0.03 . 1 . . . . A 128 PHE N . 36341 1 965 . 1 . 1 129 129 ALA H H 1 8.493 0.01 . 1 . . . . A 129 ALA H . 36341 1 966 . 1 . 1 129 129 ALA HA H 1 4.124 0.01 . 1 . . . . A 129 ALA HA . 36341 1 967 . 1 . 1 129 129 ALA HB1 H 1 1.493 0.01 . 1 . . . . A 129 ALA HB1 . 36341 1 968 . 1 . 1 129 129 ALA HB2 H 1 1.493 0.01 . 1 . . . . A 129 ALA HB2 . 36341 1 969 . 1 . 1 129 129 ALA HB3 H 1 1.493 0.01 . 1 . . . . A 129 ALA HB3 . 36341 1 970 . 1 . 1 129 129 ALA CB C 13 18.160 0.01 . 1 . . . . A 129 ALA CB . 36341 1 971 . 1 . 1 129 129 ALA N N 15 122.716 0.02 . 1 . . . . A 129 ALA N . 36341 1 972 . 1 . 1 130 130 ALA H H 1 7.972 0.01 . 1 . . . . A 130 ALA H . 36341 1 973 . 1 . 1 130 130 ALA HA H 1 4.205 0.00 . 1 . . . . A 130 ALA HA . 36341 1 974 . 1 . 1 130 130 ALA HB1 H 1 1.531 0.00 . 1 . . . . A 130 ALA HB1 . 36341 1 975 . 1 . 1 130 130 ALA HB2 H 1 1.531 0.00 . 1 . . . . A 130 ALA HB2 . 36341 1 976 . 1 . 1 130 130 ALA HB3 H 1 1.531 0.00 . 1 . . . . A 130 ALA HB3 . 36341 1 977 . 1 . 1 130 130 ALA CB C 13 18.106 0.01 . 1 . . . . A 130 ALA CB . 36341 1 978 . 1 . 1 130 130 ALA N N 15 121.216 0.02 . 1 . . . . A 130 ALA N . 36341 1 979 . 1 . 1 131 131 GLU H H 1 8.012 0.00 . 1 . . . . A 131 GLU H . 36341 1 980 . 1 . 1 131 131 GLU HA H 1 4.100 0.01 . 1 . . . . A 131 GLU HA . 36341 1 981 . 1 . 1 131 131 GLU HB2 H 1 2.124 0.00 . 2 . . . . A 131 GLU HB2 . 36341 1 982 . 1 . 1 131 131 GLU HG2 H 1 2.419 0.01 . 2 . . . . A 131 GLU HG2 . 36341 1 983 . 1 . 1 131 131 GLU HG3 H 1 2.255 0.01 . 2 . . . . A 131 GLU HG3 . 36341 1 984 . 1 . 1 131 131 GLU N N 15 118.775 0.02 . 1 . . . . A 131 GLU N . 36341 1 985 . 1 . 1 132 132 ALA H H 1 7.925 0.01 . 1 . . . . A 132 ALA H . 36341 1 986 . 1 . 1 132 132 ALA HA H 1 4.213 0.01 . 1 . . . . A 132 ALA HA . 36341 1 987 . 1 . 1 132 132 ALA HB1 H 1 1.491 0.01 . 1 . . . . A 132 ALA HB1 . 36341 1 988 . 1 . 1 132 132 ALA HB2 H 1 1.491 0.01 . 1 . . . . A 132 ALA HB2 . 36341 1 989 . 1 . 1 132 132 ALA HB3 H 1 1.491 0.01 . 1 . . . . A 132 ALA HB3 . 36341 1 990 . 1 . 1 132 132 ALA CB C 13 18.553 0.00 . 1 . . . . A 132 ALA CB . 36341 1 991 . 1 . 1 132 132 ALA N N 15 122.076 0.02 . 1 . . . . A 132 ALA N . 36341 1 992 . 1 . 1 133 133 ALA H H 1 7.995 0.01 . 1 . . . . A 133 ALA H . 36341 1 993 . 1 . 1 133 133 ALA HA H 1 4.182 0.00 . 1 . . . . A 133 ALA HA . 36341 1 994 . 1 . 1 133 133 ALA HB1 H 1 1.494 0.01 . 1 . . . . A 133 ALA HB1 . 36341 1 995 . 1 . 1 133 133 ALA HB2 H 1 1.494 0.01 . 1 . . . . A 133 ALA HB2 . 36341 1 996 . 1 . 1 133 133 ALA HB3 H 1 1.494 0.01 . 1 . . . . A 133 ALA HB3 . 36341 1 997 . 1 . 1 133 133 ALA CB C 13 18.607 0.01 . 1 . . . . A 133 ALA CB . 36341 1 998 . 1 . 1 133 133 ALA N N 15 121.115 0.05 . 1 . . . . A 133 ALA N . 36341 1 999 . 1 . 1 134 134 GLN H H 1 7.910 0.00 . 1 . . . . A 134 GLN H . 36341 1 1000 . 1 . 1 134 134 GLN HA H 1 4.204 0.01 . 1 . . . . A 134 GLN HA . 36341 1 1001 . 1 . 1 134 134 GLN HB2 H 1 2.160 0.00 . 2 . . . . A 134 GLN HB2 . 36341 1 1002 . 1 . 1 134 134 GLN HG2 H 1 2.465 0.00 . 2 . . . . A 134 GLN HG2 . 36341 1 1003 . 1 . 1 134 134 GLN HG3 H 1 2.464 0.00 . 2 . . . . A 134 GLN HG3 . 36341 1 1004 . 1 . 1 134 134 GLN HE21 H 1 7.492 0.00 . 2 . . . . A 134 GLN HE21 . 36341 1 1005 . 1 . 1 134 134 GLN HE22 H 1 6.850 0.00 . 2 . . . . A 134 GLN HE22 . 36341 1 1006 . 1 . 1 134 134 GLN N N 15 118.457 0.02 . 1 . . . . A 134 GLN N . 36341 1 1007 . 1 . 1 134 134 GLN NE2 N 15 112.133 0.00 . 1 . . . . A 134 GLN NE2 . 36341 1 1008 . 1 . 1 135 135 GLU H H 1 8.145 0.00 . 1 . . . . A 135 GLU H . 36341 1 1009 . 1 . 1 135 135 GLU HA H 1 4.191 0.00 . 1 . . . . A 135 GLU HA . 36341 1 1010 . 1 . 1 135 135 GLU HB2 H 1 2.054 0.00 . 2 . . . . A 135 GLU HB2 . 36341 1 1011 . 1 . 1 135 135 GLU HG2 H 1 2.362 0.01 . 2 . . . . A 135 GLU HG2 . 36341 1 1012 . 1 . 1 135 135 GLU HG3 H 1 2.272 0.00 . 2 . . . . A 135 GLU HG3 . 36341 1 1013 . 1 . 1 135 135 GLU N N 15 120.915 0.02 . 1 . . . . A 135 GLU N . 36341 1 1014 . 1 . 1 136 136 ALA H H 1 8.038 0.00 . 1 . . . . A 136 ALA H . 36341 1 1015 . 1 . 1 136 136 ALA HA H 1 4.268 0.00 . 1 . . . . A 136 ALA HA . 36341 1 1016 . 1 . 1 136 136 ALA HB1 H 1 1.446 0.00 . 1 . . . . A 136 ALA HB1 . 36341 1 1017 . 1 . 1 136 136 ALA HB2 H 1 1.446 0.00 . 1 . . . . A 136 ALA HB2 . 36341 1 1018 . 1 . 1 136 136 ALA HB3 H 1 1.446 0.00 . 1 . . . . A 136 ALA HB3 . 36341 1 1019 . 1 . 1 136 136 ALA CB C 13 19.283 0.00 . 1 . . . . A 136 ALA CB . 36341 1 1020 . 1 . 1 136 136 ALA N N 15 123.207 0.03 . 1 . . . . A 136 ALA N . 36341 1 1021 . 1 . 1 137 137 ALA H H 1 7.943 0.00 . 1 . . . . A 137 ALA H . 36341 1 1022 . 1 . 1 137 137 ALA HA H 1 4.299 0.01 . 1 . . . . A 137 ALA HA . 36341 1 1023 . 1 . 1 137 137 ALA HB1 H 1 1.449 0.01 . 1 . . . . A 137 ALA HB1 . 36341 1 1024 . 1 . 1 137 137 ALA HB2 H 1 1.449 0.01 . 1 . . . . A 137 ALA HB2 . 36341 1 1025 . 1 . 1 137 137 ALA HB3 H 1 1.449 0.01 . 1 . . . . A 137 ALA HB3 . 36341 1 1026 . 1 . 1 137 137 ALA CB C 13 19.054 0.00 . 1 . . . . A 137 ALA CB . 36341 1 1027 . 1 . 1 137 137 ALA N N 15 122.119 0.03 . 1 . . . . A 137 ALA N . 36341 1 1028 . 1 . 1 138 138 ALA H H 1 8.020 0.01 . 1 . . . . A 138 ALA H . 36341 1 1029 . 1 . 1 138 138 ALA HA H 1 4.312 0.00 . 1 . . . . A 138 ALA HA . 36341 1 1030 . 1 . 1 138 138 ALA HB1 H 1 1.445 0.00 . 1 . . . . A 138 ALA HB1 . 36341 1 1031 . 1 . 1 138 138 ALA HB2 H 1 1.445 0.00 . 1 . . . . A 138 ALA HB2 . 36341 1 1032 . 1 . 1 138 138 ALA HB3 H 1 1.445 0.00 . 1 . . . . A 138 ALA HB3 . 36341 1 1033 . 1 . 1 138 138 ALA N N 15 122.754 0.03 . 1 . . . . A 138 ALA N . 36341 1 1034 . 1 . 1 139 139 GLY H H 1 8.212 0.00 . 1 . . . . A 139 GLY H . 36341 1 1035 . 1 . 1 139 139 GLY HA2 H 1 4.017 0.01 . 2 . . . . A 139 GLY HA2 . 36341 1 1036 . 1 . 1 139 139 GLY HA3 H 1 3.932 0.01 . 2 . . . . A 139 GLY HA3 . 36341 1 1037 . 1 . 1 139 139 GLY N N 15 107.614 0.02 . 1 . . . . A 139 GLY N . 36341 1 1038 . 1 . 1 140 140 ASP H H 1 8.213 0.00 . 1 . . . . A 140 ASP H . 36341 1 1039 . 1 . 1 140 140 ASP HA H 1 4.660 0.00 . 1 . . . . A 140 ASP HA . 36341 1 1040 . 1 . 1 140 140 ASP HB2 H 1 2.728 0.00 . 2 . . . . A 140 ASP HB2 . 36341 1 1041 . 1 . 1 140 140 ASP HB3 H 1 2.621 0.00 . 2 . . . . A 140 ASP HB3 . 36341 1 1042 . 1 . 1 140 140 ASP N N 15 120.290 0.03 . 1 . . . . A 140 ASP N . 36341 1 1043 . 1 . 1 141 141 ASN H H 1 8.400 0.00 . 1 . . . . A 141 ASN H . 36341 1 1044 . 1 . 1 141 141 ASN HA H 1 4.755 0.00 . 1 . . . . A 141 ASN HA . 36341 1 1045 . 1 . 1 141 141 ASN HB2 H 1 2.862 0.00 . 2 . . . . A 141 ASN HB2 . 36341 1 1046 . 1 . 1 141 141 ASN HB3 H 1 2.734 0.00 . 2 . . . . A 141 ASN HB3 . 36341 1 1047 . 1 . 1 141 141 ASN HD21 H 1 7.589 0.00 . 2 . . . . A 141 ASN HD21 . 36341 1 1048 . 1 . 1 141 141 ASN N N 15 118.863 0.01 . 1 . . . . A 141 ASN N . 36341 1 1049 . 1 . 1 141 141 ASN ND2 N 15 113.486 0.00 . 1 . . . . A 141 ASN ND2 . 36341 1 1050 . 1 . 1 142 142 GLU H H 1 7.931 0.00 . 1 . . . . A 142 GLU H . 36341 1 1051 . 1 . 1 142 142 GLU HA H 1 4.110 0.00 . 1 . . . . A 142 GLU HA . 36341 1 1052 . 1 . 1 142 142 GLU HB2 H 1 1.894 0.00 . 2 . . . . A 142 GLU HB2 . 36341 1 1053 . 1 . 1 142 142 GLU N N 15 125.908 0.01 . 1 . . . . A 142 GLU N . 36341 1 stop_ save_