data_30633 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30633 _Entry.Title ; N-terminal domain of dynein intermediate chain from Chaetomium thermophilum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-10 _Entry.Accession_date 2019-07-10 _Entry.Last_release_date 2019-07-12 _Entry.Original_release_date 2019-07-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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' 30633 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 N. Loening N. M. . . 30633 2 E. Barbar E. . . . 30633 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IDP . 30633 'MOTOR PROTEIN' . 30633 dynein . 30633 'intermediate chain' . 30633 'intrinsically disordered protein' . 30633 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30633 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 30633 '15N chemical shifts' 94 30633 '1H chemical shifts' 625 30633 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 . . 2020-08-12 . original BMRB . 30633 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PQT . 30633 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30633 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.bpj.2020.07.023 _Citation.Full_citation . _Citation.Title ; Interplay of disorder and sequence specificity in the formation of stable dynein/dynactin complexes ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Biophy. J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Nikolaus Loening N. M. . . 30633 1 2 Sanjana Saravanan S. . . . 30633 1 3 Nathan Jespersen N. E. . . 30633 1 4 Kayla Jara E. . . . 30633 1 5 Elisar Barbar E. . . . 30633 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30633 _Assembly.ID 1 _Assembly.Name 'Dynein intermediate chain protein' _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 . . . . . . 30633 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30633 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAHMMQARREELLAKKARLA EIKRQRELRAQQAAGRSITP SELVSPTPSRANSRREIESL IDSILSSSAGANSPRRGSRP NSVISTGELSTD ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10013.260 _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 -3 GLY . 30633 1 2 -2 ALA . 30633 1 3 -1 HIS . 30633 1 4 0 MET . 30633 1 5 1 MET . 30633 1 6 2 GLN . 30633 1 7 3 ALA . 30633 1 8 4 ARG . 30633 1 9 5 ARG . 30633 1 10 6 GLU . 30633 1 11 7 GLU . 30633 1 12 8 LEU . 30633 1 13 9 LEU . 30633 1 14 10 ALA . 30633 1 15 11 LYS . 30633 1 16 12 LYS . 30633 1 17 13 ALA . 30633 1 18 14 ARG . 30633 1 19 15 LEU . 30633 1 20 16 ALA . 30633 1 21 17 GLU . 30633 1 22 18 ILE . 30633 1 23 19 LYS . 30633 1 24 20 ARG . 30633 1 25 21 GLN . 30633 1 26 22 ARG . 30633 1 27 23 GLU . 30633 1 28 24 LEU . 30633 1 29 25 ARG . 30633 1 30 26 ALA . 30633 1 31 27 GLN . 30633 1 32 28 GLN . 30633 1 33 29 ALA . 30633 1 34 30 ALA . 30633 1 35 31 GLY . 30633 1 36 32 ARG . 30633 1 37 33 SER . 30633 1 38 34 ILE . 30633 1 39 35 THR . 30633 1 40 36 PRO . 30633 1 41 37 SER . 30633 1 42 38 GLU . 30633 1 43 39 LEU . 30633 1 44 40 VAL . 30633 1 45 41 SER . 30633 1 46 42 PRO . 30633 1 47 43 THR . 30633 1 48 44 PRO . 30633 1 49 45 SER . 30633 1 50 46 ARG . 30633 1 51 47 ALA . 30633 1 52 48 ASN . 30633 1 53 49 SER . 30633 1 54 50 ARG . 30633 1 55 51 ARG . 30633 1 56 52 GLU . 30633 1 57 53 ILE . 30633 1 58 54 GLU . 30633 1 59 55 SER . 30633 1 60 56 LEU . 30633 1 61 57 ILE . 30633 1 62 58 ASP . 30633 1 63 59 SER . 30633 1 64 60 ILE . 30633 1 65 61 LEU . 30633 1 66 62 SER . 30633 1 67 63 SER . 30633 1 68 64 SER . 30633 1 69 65 ALA . 30633 1 70 66 GLY . 30633 1 71 67 ALA . 30633 1 72 68 ASN . 30633 1 73 69 SER . 30633 1 74 70 PRO . 30633 1 75 71 ARG . 30633 1 76 72 ARG . 30633 1 77 73 GLY . 30633 1 78 74 SER . 30633 1 79 75 ARG . 30633 1 80 76 PRO . 30633 1 81 77 ASN . 30633 1 82 78 SER . 30633 1 83 79 VAL . 30633 1 84 80 ILE . 30633 1 85 81 SER . 30633 1 86 82 THR . 30633 1 87 83 GLY . 30633 1 88 84 GLU . 30633 1 89 85 LEU . 30633 1 90 86 SER . 30633 1 91 87 THR . 30633 1 92 88 ASP . 30633 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 30633 1 . ALA 2 2 30633 1 . HIS 3 3 30633 1 . MET 4 4 30633 1 . MET 5 5 30633 1 . GLN 6 6 30633 1 . ALA 7 7 30633 1 . ARG 8 8 30633 1 . ARG 9 9 30633 1 . GLU 10 10 30633 1 . GLU 11 11 30633 1 . LEU 12 12 30633 1 . LEU 13 13 30633 1 . ALA 14 14 30633 1 . LYS 15 15 30633 1 . LYS 16 16 30633 1 . ALA 17 17 30633 1 . ARG 18 18 30633 1 . LEU 19 19 30633 1 . ALA 20 20 30633 1 . GLU 21 21 30633 1 . ILE 22 22 30633 1 . LYS 23 23 30633 1 . ARG 24 24 30633 1 . GLN 25 25 30633 1 . ARG 26 26 30633 1 . GLU 27 27 30633 1 . LEU 28 28 30633 1 . ARG 29 29 30633 1 . ALA 30 30 30633 1 . GLN 31 31 30633 1 . GLN 32 32 30633 1 . ALA 33 33 30633 1 . ALA 34 34 30633 1 . GLY 35 35 30633 1 . ARG 36 36 30633 1 . SER 37 37 30633 1 . ILE 38 38 30633 1 . THR 39 39 30633 1 . PRO 40 40 30633 1 . SER 41 41 30633 1 . GLU 42 42 30633 1 . LEU 43 43 30633 1 . VAL 44 44 30633 1 . SER 45 45 30633 1 . PRO 46 46 30633 1 . THR 47 47 30633 1 . PRO 48 48 30633 1 . SER 49 49 30633 1 . ARG 50 50 30633 1 . ALA 51 51 30633 1 . ASN 52 52 30633 1 . SER 53 53 30633 1 . ARG 54 54 30633 1 . ARG 55 55 30633 1 . GLU 56 56 30633 1 . ILE 57 57 30633 1 . GLU 58 58 30633 1 . SER 59 59 30633 1 . LEU 60 60 30633 1 . ILE 61 61 30633 1 . ASP 62 62 30633 1 . SER 63 63 30633 1 . ILE 64 64 30633 1 . LEU 65 65 30633 1 . SER 66 66 30633 1 . SER 67 67 30633 1 . SER 68 68 30633 1 . ALA 69 69 30633 1 . GLY 70 70 30633 1 . ALA 71 71 30633 1 . ASN 72 72 30633 1 . SER 73 73 30633 1 . PRO 74 74 30633 1 . ARG 75 75 30633 1 . ARG 76 76 30633 1 . GLY 77 77 30633 1 . SER 78 78 30633 1 . ARG 79 79 30633 1 . PRO 80 80 30633 1 . ASN 81 81 30633 1 . SER 82 82 30633 1 . VAL 83 83 30633 1 . ILE 84 84 30633 1 . SER 85 85 30633 1 . THR 86 86 30633 1 . GLY 87 87 30633 1 . GLU 88 88 30633 1 . LEU 89 89 30633 1 . SER 90 90 30633 1 . THR 91 91 30633 1 . ASP 92 92 30633 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 30633 _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 . 759272 organism . 'Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719)' 'Chaetomium thermophilum' . . Eukaryota Fungi Chaetomium thermophilum 'DSM 1495 / CBS 144.50 / IMI 039719' . . . . . . . . . . CTHT_0056990 . 30633 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 30633 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pET-24 . . . 30633 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30633 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-99% 13C; U-99% 15N] CT-IC 1-88, 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 'CT-IC 1-88' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 30633 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30633 1 3 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 30633 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 30633 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 30633 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 30633 _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' 100 . mM 30633 1 pH 6.5 . pH 30633 1 pressure 1 . atm 30633 1 temperature 288 . K 30633 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30633 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30633 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30633 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30633 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30633 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30633 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30633 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30633 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30633 3 . 'peak picking' 30633 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 30633 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30633 _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 III' . 800 . . . 30633 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 30633 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30633 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30633 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30633 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30633 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 30633 _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 internal indirect 0.2514 . . . . . 30633 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 30633 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.1013 . . . . . 30633 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 30633 _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 '3D 1H-13C NOESY' . . . 30633 1 2 '3D 1H-15N NOESY' . . . 30633 1 3 '3D HNCO' . . . 30633 1 4 '3D HNCACB' . . . 30633 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 1 1 GLY HA2 H 1 3.848 0.005 . 1 . . 450 . A -3 GLY HA2 . 30633 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.848 0.005 . 1 . . 448 . A -3 GLY HA3 . 30633 1 3 . 1 . 1 1 1 GLY CA C 13 43.138 . . 1 . . 449 . A -3 GLY CA . 30633 1 4 . 1 . 1 2 2 ALA H H 1 8.733 0.008 . 1 . . 1012 . A -2 ALA H . 30633 1 5 . 1 . 1 2 2 ALA HA H 1 4.300 0.002 . 1 . . 680 . A -2 ALA HA . 30633 1 6 . 1 . 1 2 2 ALA HB1 H 1 1.344 0.005 . 1 . . 678 . A -2 ALA HB1 . 30633 1 7 . 1 . 1 2 2 ALA HB2 H 1 1.344 0.005 . 1 . . 678 . A -2 ALA HB2 . 30633 1 8 . 1 . 1 2 2 ALA HB3 H 1 1.344 0.005 . 1 . . 678 . A -2 ALA HB3 . 30633 1 9 . 1 . 1 2 2 ALA C C 13 177.789 . . 1 . . 778 . A -2 ALA C . 30633 1 10 . 1 . 1 2 2 ALA CA C 13 52.536 0.068 . 1 . . 681 . A -2 ALA CA . 30633 1 11 . 1 . 1 2 2 ALA CB C 13 19.251 0.069 . 1 . . 679 . A -2 ALA CB . 30633 1 12 . 1 . 1 2 2 ALA N N 15 123.871 0.01 . 1 . . 1011 . A -2 ALA N . 30633 1 13 . 1 . 1 3 3 HIS H H 1 8.695 0.008 . 1 . . 777 . A -1 HIS H . 30633 1 14 . 1 . 1 3 3 HIS HA H 1 4.646 0.005 . 1 . . 670 . A -1 HIS HA . 30633 1 15 . 1 . 1 3 3 HIS HB2 H 1 3.163 0.009 . 2 . . 671 . A -1 HIS HB2 . 30633 1 16 . 1 . 1 3 3 HIS HB3 H 1 3.220 0.011 . 2 . . 672 . A -1 HIS HB3 . 30633 1 17 . 1 . 1 3 3 HIS HD2 H 1 7.193 . . 1 . . 446 . A -1 HIS HD2 . 30633 1 18 . 1 . 1 3 3 HIS HE1 H 1 8.272 . . 1 . . 444 . A -1 HIS HE1 . 30633 1 19 . 1 . 1 3 3 HIS C C 13 175.279 0.0 . 1 . . 443 . A -1 HIS C . 30633 1 20 . 1 . 1 3 3 HIS CA C 13 56.037 0.064 . 1 . . 442 . A -1 HIS CA . 30633 1 21 . 1 . 1 3 3 HIS CB C 13 29.556 0.072 . 1 . . 441 . A -1 HIS CB . 30633 1 22 . 1 . 1 3 3 HIS CD2 C 13 119.763 . . 1 . . 447 . A -1 HIS CD2 . 30633 1 23 . 1 . 1 3 3 HIS CE1 C 13 137.172 . . 1 . . 445 . A -1 HIS CE1 . 30633 1 24 . 1 . 1 3 3 HIS N N 15 119.048 0.054 . 1 . . 776 . A -1 HIS N . 30633 1 25 . 1 . 1 4 4 MET H H 1 8.530 0.009 . 1 . . 440 . A 0 MET H . 30633 1 26 . 1 . 1 4 4 MET HA H 1 4.420 0.01 . 1 . . 677 . A 0 MET HA . 30633 1 27 . 1 . 1 4 4 MET HB2 H 1 2.103 0.009 . 2 . . 675 . A 0 MET HB2 . 30633 1 28 . 1 . 1 4 4 MET HB3 H 1 2.078 0.008 . 2 . . 676 . A 0 MET HB3 . 30633 1 29 . 1 . 1 4 4 MET HG2 H 1 2.513 0.001 . 2 . . 770 . A 0 MET HG2 . 30633 1 30 . 1 . 1 4 4 MET HG3 H 1 2.581 0.004 . 2 . . 771 . A 0 MET HG3 . 30633 1 31 . 1 . 1 4 4 MET HE1 H 1 2.114 . . 1 . . 682 . A 0 MET HE1 . 30633 1 32 . 1 . 1 4 4 MET HE2 H 1 2.114 . . 1 . . 682 . A 0 MET HE2 . 30633 1 33 . 1 . 1 4 4 MET HE3 H 1 2.114 . . 1 . . 682 . A 0 MET HE3 . 30633 1 34 . 1 . 1 4 4 MET C C 13 176.538 0.004 . 1 . . 438 . A 0 MET C . 30633 1 35 . 1 . 1 4 4 MET CA C 13 56.037 0.008 . 1 . . 437 . A 0 MET CA . 30633 1 36 . 1 . 1 4 4 MET CB C 13 32.711 0.017 . 1 . . 436 . A 0 MET CB . 30633 1 37 . 1 . 1 4 4 MET CG C 13 31.689 0.017 . 1 . . 774 . A 0 MET CG . 30633 1 38 . 1 . 1 4 4 MET CE C 13 16.908 . . 1 . . 683 . A 0 MET CE . 30633 1 39 . 1 . 1 4 4 MET N N 15 122.285 0.051 . 1 . . 439 . A 0 MET N . 30633 1 40 . 1 . 1 5 5 MET H H 1 8.596 0.003 . 1 . . 62 . A 1 MET H . 30633 1 41 . 1 . 1 5 5 MET HA H 1 4.423 0.007 . 1 . . 669 . A 1 MET HA . 30633 1 42 . 1 . 1 5 5 MET HB2 H 1 2.078 0.008 . 2 . . 673 . A 1 MET HB2 . 30633 1 43 . 1 . 1 5 5 MET HB3 H 1 2.101 0.008 . 2 . . 674 . A 1 MET HB3 . 30633 1 44 . 1 . 1 5 5 MET HG2 H 1 2.587 0.003 . 2 . . 772 . A 1 MET HG2 . 30633 1 45 . 1 . 1 5 5 MET HG3 H 1 2.660 0.003 . 2 . . 773 . A 1 MET HG3 . 30633 1 46 . 1 . 1 5 5 MET HE1 H 1 2.102 . . 1 . . 1 . A 1 MET HE1 . 30633 1 47 . 1 . 1 5 5 MET HE2 H 1 2.102 . . 1 . . 1 . A 1 MET HE2 . 30633 1 48 . 1 . 1 5 5 MET HE3 H 1 2.102 . . 1 . . 1 . A 1 MET HE3 . 30633 1 49 . 1 . 1 5 5 MET C C 13 176.929 0.002 . 1 . . 365 . A 1 MET C . 30633 1 50 . 1 . 1 5 5 MET CA C 13 56.155 0.027 . 1 . . 229 . A 1 MET CA . 30633 1 51 . 1 . 1 5 5 MET CB C 13 32.401 0.067 . 1 . . 230 . A 1 MET CB . 30633 1 52 . 1 . 1 5 5 MET CG C 13 32.070 0.093 . 1 . . 775 . A 1 MET CG . 30633 1 53 . 1 . 1 5 5 MET CE C 13 16.800 . . 1 . . 2 . A 1 MET CE . 30633 1 54 . 1 . 1 5 5 MET N N 15 121.831 0.038 . 1 . . 61 . A 1 MET N . 30633 1 55 . 1 . 1 6 6 GLN H H 1 8.518 0.005 . 1 . . 48 . A 2 GLN H . 30633 1 56 . 1 . 1 6 6 GLN HA H 1 4.221 0.01 . 1 . . 668 . A 2 GLN HA . 30633 1 57 . 1 . 1 6 6 GLN HB2 H 1 2.083 0.006 . 1 . . 667 . A 2 GLN HB2 . 30633 1 58 . 1 . 1 6 6 GLN HB3 H 1 2.081 0.005 . 1 . . 666 . A 2 GLN HB3 . 30633 1 59 . 1 . 1 6 6 GLN HG2 H 1 2.406 0.002 . 1 . . 908 . A 2 GLN HG2 . 30633 1 60 . 1 . 1 6 6 GLN HG3 H 1 2.406 0.002 . 1 . . 907 . A 2 GLN HG3 . 30633 1 61 . 1 . 1 6 6 GLN HE21 H 1 6.928 0.003 . 1 . . 709 . A 2 GLN HE21 . 30633 1 62 . 1 . 1 6 6 GLN HE22 H 1 7.728 0.003 . 1 . . 710 . A 2 GLN HE22 . 30633 1 63 . 1 . 1 6 6 GLN C C 13 176.373 0.009 . 1 . . 351 . A 2 GLN C . 30633 1 64 . 1 . 1 6 6 GLN CA C 13 56.977 0.035 . 1 . . 171 . A 2 GLN CA . 30633 1 65 . 1 . 1 6 6 GLN CB C 13 28.907 0.009 . 1 . . 173 . A 2 GLN CB . 30633 1 66 . 1 . 1 6 6 GLN CG C 13 33.501 0.006 . 1 . . 711 . A 2 GLN CG . 30633 1 67 . 1 . 1 6 6 GLN CD C 13 180.261 . . 1 . . 720 . A 2 GLN CD . 30633 1 68 . 1 . 1 6 6 GLN N N 15 122.290 0.043 . 1 . . 47 . A 2 GLN N . 30633 1 69 . 1 . 1 6 6 GLN NE2 N 15 113.287 0.019 . 1 . . 708 . A 2 GLN NE2 . 30633 1 70 . 1 . 1 7 7 ALA H H 1 8.426 0.003 . 1 . . 12 . A 3 ALA H . 30633 1 71 . 1 . 1 7 7 ALA HA H 1 4.260 0.012 . 1 . . 665 . A 3 ALA HA . 30633 1 72 . 1 . 1 7 7 ALA HB1 H 1 1.434 0.01 . 1 . . 415 . A 3 ALA HB1 . 30633 1 73 . 1 . 1 7 7 ALA HB2 H 1 1.434 0.01 . 1 . . 415 . A 3 ALA HB2 . 30633 1 74 . 1 . 1 7 7 ALA HB3 H 1 1.434 0.01 . 1 . . 415 . A 3 ALA HB3 . 30633 1 75 . 1 . 1 7 7 ALA C C 13 178.817 0.007 . 1 . . 383 . A 3 ALA C . 30633 1 76 . 1 . 1 7 7 ALA CA C 13 53.540 0.028 . 1 . . 172 . A 3 ALA CA . 30633 1 77 . 1 . 1 7 7 ALA CB C 13 18.729 0.059 . 1 . . 281 . A 3 ALA CB . 30633 1 78 . 1 . 1 7 7 ALA N N 15 124.483 0.04 . 1 . . 11 . A 3 ALA N . 30633 1 79 . 1 . 1 8 8 ARG H H 1 8.277 0.003 . 1 . . 103 . A 4 ARG H . 30633 1 80 . 1 . 1 8 8 ARG HA H 1 4.265 0.018 . 1 . . 664 . A 4 ARG HA . 30633 1 81 . 1 . 1 8 8 ARG HB2 H 1 1.961 0.002 . 2 . . 662 . A 4 ARG HB2 . 30633 1 82 . 1 . 1 8 8 ARG HB3 H 1 1.880 0.001 . 2 . . 663 . A 4 ARG HB3 . 30633 1 83 . 1 . 1 8 8 ARG HG2 H 1 1.707 0.016 . 1 . . 937 . A 4 ARG HG2 . 30633 1 84 . 1 . 1 8 8 ARG HG3 H 1 1.707 0.016 . 1 . . 936 . A 4 ARG HG3 . 30633 1 85 . 1 . 1 8 8 ARG HD2 H 1 3.267 0.003 . 1 . . 938 . A 4 ARG HD2 . 30633 1 86 . 1 . 1 8 8 ARG HD3 H 1 3.267 0.003 . 1 . . 939 . A 4 ARG HD3 . 30633 1 87 . 1 . 1 8 8 ARG C C 13 177.631 0.003 . 1 . . 366 . A 4 ARG C . 30633 1 88 . 1 . 1 8 8 ARG CA C 13 57.171 0.044 . 1 . . 242 . A 4 ARG CA . 30633 1 89 . 1 . 1 8 8 ARG CB C 13 30.289 0.059 . 1 . . 280 . A 4 ARG CB . 30633 1 90 . 1 . 1 8 8 ARG CG C 13 27.240 . . 1 . . 940 . A 4 ARG CG . 30633 1 91 . 1 . 1 8 8 ARG CD C 13 43.195 . . 1 . . 941 . A 4 ARG CD . 30633 1 92 . 1 . 1 8 8 ARG N N 15 119.805 0.031 . 1 . . 102 . A 4 ARG N . 30633 1 93 . 1 . 1 9 9 ARG H H 1 8.351 0.005 . 1 . . 54 . A 5 ARG H . 30633 1 94 . 1 . 1 9 9 ARG HA H 1 4.130 0.008 . 1 . . 659 . A 5 ARG HA . 30633 1 95 . 1 . 1 9 9 ARG HB2 H 1 1.910 0.006 . 1 . . 661 . A 5 ARG HB2 . 30633 1 96 . 1 . 1 9 9 ARG HB3 H 1 1.910 0.006 . 1 . . 660 . A 5 ARG HB3 . 30633 1 97 . 1 . 1 9 9 ARG HG2 H 1 1.692 0.002 . 1 . . 931 . A 5 ARG HG2 . 30633 1 98 . 1 . 1 9 9 ARG HG3 H 1 1.692 0.002 . 1 . . 930 . A 5 ARG HG3 . 30633 1 99 . 1 . 1 9 9 ARG HD2 H 1 3.232 0.01 . 1 . . 933 . A 5 ARG HD2 . 30633 1 100 . 1 . 1 9 9 ARG HD3 H 1 3.232 0.01 . 1 . . 932 . A 5 ARG HD3 . 30633 1 101 . 1 . 1 9 9 ARG C C 13 177.937 0.01 . 1 . . 382 . A 5 ARG C . 30633 1 102 . 1 . 1 9 9 ARG CA C 13 58.582 0.025 . 1 . . 241 . A 5 ARG CA . 30633 1 103 . 1 . 1 9 9 ARG CB C 13 30.144 0.004 . 1 . . 240 . A 5 ARG CB . 30633 1 104 . 1 . 1 9 9 ARG CG C 13 27.115 . . 1 . . 935 . A 5 ARG CG . 30633 1 105 . 1 . 1 9 9 ARG CD C 13 43.173 . . 1 . . 934 . A 5 ARG CD . 30633 1 106 . 1 . 1 9 9 ARG N N 15 121.968 0.038 . 1 . . 53 . A 5 ARG N . 30633 1 107 . 1 . 1 10 10 GLU H H 1 8.646 0.004 . 1 . . 99 . A 6 GLU H . 30633 1 108 . 1 . 1 10 10 GLU HA H 1 4.089 0.008 . 1 . . 658 . A 6 GLU HA . 30633 1 109 . 1 . 1 10 10 GLU HB2 H 1 2.077 0.012 . 1 . . 657 . A 6 GLU HB2 . 30633 1 110 . 1 . 1 10 10 GLU HB3 H 1 2.077 0.012 . 1 . . 656 . A 6 GLU HB3 . 30633 1 111 . 1 . 1 10 10 GLU HG2 H 1 2.383 0.004 . 1 . . 855 . A 6 GLU HG2 . 30633 1 112 . 1 . 1 10 10 GLU HG3 H 1 2.383 0.004 . 1 . . 806 . A 6 GLU HG3 . 30633 1 113 . 1 . 1 10 10 GLU C C 13 178.609 0.005 . 1 . . 367 . A 6 GLU C . 30633 1 114 . 1 . 1 10 10 GLU CA C 13 58.801 0.053 . 1 . . 278 . A 6 GLU CA . 30633 1 115 . 1 . 1 10 10 GLU CB C 13 29.386 0.059 . 1 . . 279 . A 6 GLU CB . 30633 1 116 . 1 . 1 10 10 GLU CG C 13 36.317 . . 1 . . 807 . A 6 GLU CG . 30633 1 117 . 1 . 1 10 10 GLU N N 15 119.948 0.051 . 1 . . 98 . A 6 GLU N . 30633 1 118 . 1 . 1 11 11 GLU H H 1 8.258 0.003 . 1 . . 56 . A 7 GLU H . 30633 1 119 . 1 . 1 11 11 GLU HA H 1 4.214 0.009 . 1 . . 653 . A 7 GLU HA . 30633 1 120 . 1 . 1 11 11 GLU HB2 H 1 2.155 0.006 . 1 . . 655 . A 7 GLU HB2 . 30633 1 121 . 1 . 1 11 11 GLU HB3 H 1 2.155 0.006 . 1 . . 654 . A 7 GLU HB3 . 30633 1 122 . 1 . 1 11 11 GLU HG2 H 1 2.397 0.009 . 1 . . 1000 . A 7 GLU HG2 . 30633 1 123 . 1 . 1 11 11 GLU HG3 H 1 2.397 0.009 . 1 . . 999 . A 7 GLU HG3 . 30633 1 124 . 1 . 1 11 11 GLU C C 13 178.535 0.008 . 1 . . 370 . A 7 GLU C . 30633 1 125 . 1 . 1 11 11 GLU CA C 13 58.409 0.033 . 1 . . 235 . A 7 GLU CA . 30633 1 126 . 1 . 1 11 11 GLU CB C 13 29.634 0.026 . 1 . . 243 . A 7 GLU CB . 30633 1 127 . 1 . 1 11 11 GLU CG C 13 36.352 . . 1 . . 1001 . A 7 GLU CG . 30633 1 128 . 1 . 1 11 11 GLU N N 15 122.010 0.055 . 1 . . 55 . A 7 GLU N . 30633 1 129 . 1 . 1 12 12 LEU H H 1 8.140 0.004 . 1 . . 64 . A 8 LEU H . 30633 1 130 . 1 . 1 12 12 LEU HA H 1 4.171 0.011 . 1 . . 652 . A 8 LEU HA . 30633 1 131 . 1 . 1 12 12 LEU HB2 H 1 1.677 0.012 . 2 . . 650 . A 8 LEU HB2 . 30633 1 132 . 1 . 1 12 12 LEU HB3 H 1 1.846 0.018 . 2 . . 651 . A 8 LEU HB3 . 30633 1 133 . 1 . 1 12 12 LEU HG H 1 1.720 0.013 . 1 . . 997 . A 8 LEU HG . 30633 1 134 . 1 . 1 12 12 LEU HD11 H 1 0.912 0.008 . 2 . . 993 . A 8 LEU HD11 . 30633 1 135 . 1 . 1 12 12 LEU HD12 H 1 0.912 0.008 . 2 . . 993 . A 8 LEU HD12 . 30633 1 136 . 1 . 1 12 12 LEU HD13 H 1 0.912 0.008 . 2 . . 993 . A 8 LEU HD13 . 30633 1 137 . 1 . 1 12 12 LEU HD21 H 1 0.921 0.01 . 2 . . 995 . A 8 LEU HD21 . 30633 1 138 . 1 . 1 12 12 LEU HD22 H 1 0.921 0.01 . 2 . . 995 . A 8 LEU HD22 . 30633 1 139 . 1 . 1 12 12 LEU HD23 H 1 0.921 0.01 . 2 . . 995 . A 8 LEU HD23 . 30633 1 140 . 1 . 1 12 12 LEU C C 13 179.602 0.005 . 1 . . 380 . A 8 LEU C . 30633 1 141 . 1 . 1 12 12 LEU CA C 13 57.714 0.072 . 1 . . 248 . A 8 LEU CA . 30633 1 142 . 1 . 1 12 12 LEU CB C 13 41.633 0.044 . 1 . . 249 . A 8 LEU CB . 30633 1 143 . 1 . 1 12 12 LEU CG C 13 27.241 . . 1 . . 998 . A 8 LEU CG . 30633 1 144 . 1 . 1 12 12 LEU CD1 C 13 23.263 . . 2 . . 994 . A 8 LEU CD1 . 30633 1 145 . 1 . 1 12 12 LEU CD2 C 13 24.736 . . 2 . . 996 . A 8 LEU CD2 . 30633 1 146 . 1 . 1 12 12 LEU N N 15 121.805 0.028 . 1 . . 63 . A 8 LEU N . 30633 1 147 . 1 . 1 13 13 LEU H H 1 8.211 0.003 . 1 . . 93 . A 9 LEU H . 30633 1 148 . 1 . 1 13 13 LEU HA H 1 4.115 0.006 . 1 . . 647 . A 9 LEU HA . 30633 1 149 . 1 . 1 13 13 LEU HB2 H 1 1.583 0.007 . 2 . . 648 . A 9 LEU HB2 . 30633 1 150 . 1 . 1 13 13 LEU HB3 H 1 1.858 0.008 . 2 . . 649 . A 9 LEU HB3 . 30633 1 151 . 1 . 1 13 13 LEU HG H 1 1.830 0.008 . 1 . . 991 . A 9 LEU HG . 30633 1 152 . 1 . 1 13 13 LEU HD11 H 1 0.914 0.009 . 2 . . 987 . A 9 LEU HD11 . 30633 1 153 . 1 . 1 13 13 LEU HD12 H 1 0.914 0.009 . 2 . . 987 . A 9 LEU HD12 . 30633 1 154 . 1 . 1 13 13 LEU HD13 H 1 0.914 0.009 . 2 . . 987 . A 9 LEU HD13 . 30633 1 155 . 1 . 1 13 13 LEU HD21 H 1 0.921 0.01 . 2 . . 989 . A 9 LEU HD21 . 30633 1 156 . 1 . 1 13 13 LEU HD22 H 1 0.921 0.01 . 2 . . 989 . A 9 LEU HD22 . 30633 1 157 . 1 . 1 13 13 LEU HD23 H 1 0.921 0.01 . 2 . . 989 . A 9 LEU HD23 . 30633 1 158 . 1 . 1 13 13 LEU C C 13 179.559 0.007 . 1 . . 357 . A 9 LEU C . 30633 1 159 . 1 . 1 13 13 LEU CA C 13 57.580 0.03 . 1 . . 196 . A 9 LEU CA . 30633 1 160 . 1 . 1 13 13 LEU CB C 13 41.510 0.065 . 1 . . 198 . A 9 LEU CB . 30633 1 161 . 1 . 1 13 13 LEU CG C 13 27.256 0.05 . 1 . . 992 . A 9 LEU CG . 30633 1 162 . 1 . 1 13 13 LEU CD1 C 13 23.444 0.058 . 2 . . 988 . A 9 LEU CD1 . 30633 1 163 . 1 . 1 13 13 LEU CD2 C 13 24.790 . . 2 . . 990 . A 9 LEU CD2 . 30633 1 164 . 1 . 1 13 13 LEU N N 15 120.426 0.034 . 1 . . 92 . A 9 LEU N . 30633 1 165 . 1 . 1 14 14 ALA H H 1 8.038 0.004 . 1 . . 30 . A 10 ALA H . 30633 1 166 . 1 . 1 14 14 ALA HA H 1 4.255 0.008 . 1 . . 642 . A 10 ALA HA . 30633 1 167 . 1 . 1 14 14 ALA HB1 H 1 1.536 0.005 . 1 . . 412 . A 10 ALA HB1 . 30633 1 168 . 1 . 1 14 14 ALA HB2 H 1 1.536 0.005 . 1 . . 412 . A 10 ALA HB2 . 30633 1 169 . 1 . 1 14 14 ALA HB3 H 1 1.536 0.005 . 1 . . 412 . A 10 ALA HB3 . 30633 1 170 . 1 . 1 14 14 ALA C C 13 180.195 0.007 . 1 . . 435 . A 10 ALA C . 30633 1 171 . 1 . 1 14 14 ALA CA C 13 54.613 0.042 . 1 . . 197 . A 10 ALA CA . 30633 1 172 . 1 . 1 14 14 ALA CB C 13 18.067 0.084 . 1 . . 199 . A 10 ALA CB . 30633 1 173 . 1 . 1 14 14 ALA N N 15 123.218 0.033 . 1 . . 29 . A 10 ALA N . 30633 1 174 . 1 . 1 15 15 LYS H H 1 8.153 0.004 . 1 . . 337 . A 11 LYS H . 30633 1 175 . 1 . 1 15 15 LYS HA H 1 4.077 0.01 . 1 . . 646 . A 11 LYS HA . 30633 1 176 . 1 . 1 15 15 LYS HB2 H 1 1.974 0.004 . 1 . . 645 . A 11 LYS HB2 . 30633 1 177 . 1 . 1 15 15 LYS HB3 H 1 1.974 0.004 . 1 . . 644 . A 11 LYS HB3 . 30633 1 178 . 1 . 1 15 15 LYS HG2 H 1 1.450 0.005 . 2 . . 969 . A 11 LYS HG2 . 30633 1 179 . 1 . 1 15 15 LYS HG3 H 1 1.617 0.007 . 2 . . 971 . A 11 LYS HG3 . 30633 1 180 . 1 . 1 15 15 LYS HD2 H 1 1.701 0.008 . 1 . . 974 . A 11 LYS HD2 . 30633 1 181 . 1 . 1 15 15 LYS HD3 H 1 1.701 0.008 . 1 . . 972 . A 11 LYS HD3 . 30633 1 182 . 1 . 1 15 15 LYS HE2 H 1 2.988 0.002 . 1 . . 967 . A 11 LYS HE2 . 30633 1 183 . 1 . 1 15 15 LYS HE3 H 1 2.988 0.002 . 1 . . 966 . A 11 LYS HE3 . 30633 1 184 . 1 . 1 15 15 LYS C C 13 178.651 0.002 . 1 . . 338 . A 11 LYS C . 30633 1 185 . 1 . 1 15 15 LYS CA C 13 59.395 0.024 . 1 . . 407 . A 11 LYS CA . 30633 1 186 . 1 . 1 15 15 LYS CB C 13 32.422 0.061 . 1 . . 406 . A 11 LYS CB . 30633 1 187 . 1 . 1 15 15 LYS CG C 13 25.132 0.033 . 1 . . 970 . A 11 LYS CG . 30633 1 188 . 1 . 1 15 15 LYS CD C 13 29.627 . . 1 . . 973 . A 11 LYS CD . 30633 1 189 . 1 . 1 15 15 LYS CE C 13 41.819 . . 1 . . 968 . A 11 LYS CE . 30633 1 190 . 1 . 1 15 15 LYS N N 15 120.563 0.034 . 1 . . 339 . A 11 LYS N . 30633 1 191 . 1 . 1 16 16 LYS H H 1 8.130 0.004 . 1 . . 153 . A 12 LYS H . 30633 1 192 . 1 . 1 16 16 LYS HA H 1 4.026 0.01 . 1 . . 543 . A 12 LYS HA . 30633 1 193 . 1 . 1 16 16 LYS HB2 H 1 1.955 0.004 . 1 . . 548 . A 12 LYS HB2 . 30633 1 194 . 1 . 1 16 16 LYS HB3 H 1 1.955 0.004 . 1 . . 547 . A 12 LYS HB3 . 30633 1 195 . 1 . 1 16 16 LYS HG2 H 1 1.444 0.008 . 2 . . 957 . A 12 LYS HG2 . 30633 1 196 . 1 . 1 16 16 LYS HG3 H 1 1.649 0.005 . 2 . . 959 . A 12 LYS HG3 . 30633 1 197 . 1 . 1 16 16 LYS HD2 H 1 1.716 0.001 . 1 . . 965 . A 12 LYS HD2 . 30633 1 198 . 1 . 1 16 16 LYS HD3 H 1 1.716 0.001 . 1 . . 963 . A 12 LYS HD3 . 30633 1 199 . 1 . 1 16 16 LYS HE2 H 1 2.997 0.005 . 1 . . 962 . A 12 LYS HE2 . 30633 1 200 . 1 . 1 16 16 LYS HE3 H 1 2.997 0.005 . 1 . . 960 . A 12 LYS HE3 . 30633 1 201 . 1 . 1 16 16 LYS C C 13 179.215 0.017 . 1 . . 361 . A 12 LYS C . 30633 1 202 . 1 . 1 16 16 LYS CA C 13 59.509 0.05 . 1 . . 215 . A 12 LYS CA . 30633 1 203 . 1 . 1 16 16 LYS CB C 13 32.499 0.039 . 1 . . 217 . A 12 LYS CB . 30633 1 204 . 1 . 1 16 16 LYS CG C 13 25.195 0.043 . 1 . . 958 . A 12 LYS CG . 30633 1 205 . 1 . 1 16 16 LYS CD C 13 29.470 . . 1 . . 964 . A 12 LYS CD . 30633 1 206 . 1 . 1 16 16 LYS CE C 13 41.888 . . 1 . . 961 . A 12 LYS CE . 30633 1 207 . 1 . 1 16 16 LYS N N 15 119.547 0.038 . 1 . . 152 . A 12 LYS N . 30633 1 208 . 1 . 1 17 17 ALA H H 1 8.140 0.003 . 1 . . 40 . A 13 ALA H . 30633 1 209 . 1 . 1 17 17 ALA HA H 1 4.254 0.016 . 1 . . 643 . A 13 ALA HA . 30633 1 210 . 1 . 1 17 17 ALA HB1 H 1 1.542 0.006 . 1 . . 416 . A 13 ALA HB1 . 30633 1 211 . 1 . 1 17 17 ALA HB2 H 1 1.542 0.006 . 1 . . 416 . A 13 ALA HB2 . 30633 1 212 . 1 . 1 17 17 ALA HB3 H 1 1.542 0.006 . 1 . . 416 . A 13 ALA HB3 . 30633 1 213 . 1 . 1 17 17 ALA C C 13 180.316 0.012 . 1 . . 336 . A 13 ALA C . 30633 1 214 . 1 . 1 17 17 ALA CA C 13 54.692 0.064 . 1 . . 216 . A 13 ALA CA . 30633 1 215 . 1 . 1 17 17 ALA CB C 13 17.987 0.073 . 1 . . 218 . A 13 ALA CB . 30633 1 216 . 1 . 1 17 17 ALA N N 15 122.810 0.033 . 1 . . 39 . A 13 ALA N . 30633 1 217 . 1 . 1 18 18 ARG H H 1 8.160 0.004 . 1 . . 89 . A 14 ARG H . 30633 1 218 . 1 . 1 18 18 ARG HA H 1 4.209 0.011 . 1 . . 641 . A 14 ARG HA . 30633 1 219 . 1 . 1 18 18 ARG HB2 H 1 2.003 0.006 . 1 . . 640 . A 14 ARG HB2 . 30633 1 220 . 1 . 1 18 18 ARG HB3 H 1 2.003 0.006 . 1 . . 639 . A 14 ARG HB3 . 30633 1 221 . 1 . 1 18 18 ARG HG2 H 1 1.770 0.01 . 2 . . 1013 . A 14 ARG HG2 . 30633 1 222 . 1 . 1 18 18 ARG HG3 H 1 1.694 0.006 . 2 . . 1014 . A 14 ARG HG3 . 30633 1 223 . 1 . 1 18 18 ARG HD2 H 1 3.205 0.018 . 2 . . 1015 . A 14 ARG HD2 . 30633 1 224 . 1 . 1 18 18 ARG HD3 H 1 3.324 0.004 . 2 . . 1017 . A 14 ARG HD3 . 30633 1 225 . 1 . 1 18 18 ARG C C 13 178.875 0.007 . 1 . . 335 . A 14 ARG C . 30633 1 226 . 1 . 1 18 18 ARG CA C 13 58.836 0.022 . 1 . . 272 . A 14 ARG CA . 30633 1 227 . 1 . 1 18 18 ARG CB C 13 29.929 0.02 . 1 . . 273 . A 14 ARG CB . 30633 1 228 . 1 . 1 18 18 ARG CG C 13 27.060 0.037 . 1 . . 1018 . A 14 ARG CG . 30633 1 229 . 1 . 1 18 18 ARG CD C 13 43.089 0.015 . 1 . . 1016 . A 14 ARG CD . 30633 1 230 . 1 . 1 18 18 ARG N N 15 120.597 0.028 . 1 . . 88 . A 14 ARG N . 30633 1 231 . 1 . 1 19 19 LEU H H 1 8.178 0.004 . 1 . . 101 . A 15 LEU H . 30633 1 232 . 1 . 1 19 19 LEU HA H 1 4.113 0.009 . 1 . . 638 . A 15 LEU HA . 30633 1 233 . 1 . 1 19 19 LEU HB2 H 1 1.602 0.01 . 2 . . 636 . A 15 LEU HB2 . 30633 1 234 . 1 . 1 19 19 LEU HB3 H 1 1.868 0.008 . 2 . . 637 . A 15 LEU HB3 . 30633 1 235 . 1 . 1 19 19 LEU HG H 1 1.847 0.008 . 1 . . 985 . A 15 LEU HG . 30633 1 236 . 1 . 1 19 19 LEU HD11 H 1 0.913 0.009 . 2 . . 981 . A 15 LEU HD11 . 30633 1 237 . 1 . 1 19 19 LEU HD12 H 1 0.913 0.009 . 2 . . 981 . A 15 LEU HD12 . 30633 1 238 . 1 . 1 19 19 LEU HD13 H 1 0.913 0.009 . 2 . . 981 . A 15 LEU HD13 . 30633 1 239 . 1 . 1 19 19 LEU HD21 H 1 0.933 0.007 . 2 . . 982 . A 15 LEU HD21 . 30633 1 240 . 1 . 1 19 19 LEU HD22 H 1 0.933 0.007 . 2 . . 982 . A 15 LEU HD22 . 30633 1 241 . 1 . 1 19 19 LEU HD23 H 1 0.933 0.007 . 2 . . 982 . A 15 LEU HD23 . 30633 1 242 . 1 . 1 19 19 LEU C C 13 179.620 0.004 . 1 . . 334 . A 15 LEU C . 30633 1 243 . 1 . 1 19 19 LEU CA C 13 57.800 0.022 . 1 . . 231 . A 15 LEU CA . 30633 1 244 . 1 . 1 19 19 LEU CB C 13 41.392 0.013 . 1 . . 233 . A 15 LEU CB . 30633 1 245 . 1 . 1 19 19 LEU CG C 13 26.838 0.044 . 1 . . 986 . A 15 LEU CG . 30633 1 246 . 1 . 1 19 19 LEU CD1 C 13 23.398 0.083 . 2 . . 983 . A 15 LEU CD1 . 30633 1 247 . 1 . 1 19 19 LEU CD2 C 13 24.870 0.048 . 2 . . 984 . A 15 LEU CD2 . 30633 1 248 . 1 . 1 19 19 LEU N N 15 119.880 0.041 . 1 . . 100 . A 15 LEU N . 30633 1 249 . 1 . 1 20 20 ALA H H 1 8.075 0.004 . 1 . . 50 . A 16 ALA H . 30633 1 250 . 1 . 1 20 20 ALA HA H 1 4.206 0.009 . 1 . . 633 . A 16 ALA HA . 30633 1 251 . 1 . 1 20 20 ALA HB1 H 1 1.547 0.005 . 1 . . 411 . A 16 ALA HB1 . 30633 1 252 . 1 . 1 20 20 ALA HB2 H 1 1.547 0.005 . 1 . . 411 . A 16 ALA HB2 . 30633 1 253 . 1 . 1 20 20 ALA HB3 H 1 1.547 0.005 . 1 . . 411 . A 16 ALA HB3 . 30633 1 254 . 1 . 1 20 20 ALA C C 13 180.197 0.014 . 1 . . 333 . A 16 ALA C . 30633 1 255 . 1 . 1 20 20 ALA CA C 13 54.814 0.025 . 1 . . 232 . A 16 ALA CA . 30633 1 256 . 1 . 1 20 20 ALA CB C 13 17.908 0.052 . 1 . . 234 . A 16 ALA CB . 30633 1 257 . 1 . 1 20 20 ALA N N 15 122.177 0.036 . 1 . . 49 . A 16 ALA N . 30633 1 258 . 1 . 1 21 21 GLU H H 1 7.944 0.004 . 1 . . 75 . A 17 GLU H . 30633 1 259 . 1 . 1 21 21 GLU HA H 1 4.346 0.007 . 1 . . 632 . A 17 GLU HA . 30633 1 260 . 1 . 1 21 21 GLU HB2 H 1 2.171 0.008 . 1 . . 634 . A 17 GLU HB2 . 30633 1 261 . 1 . 1 21 21 GLU HB3 H 1 2.171 0.008 . 1 . . 635 . A 17 GLU HB3 . 30633 1 262 . 1 . 1 21 21 GLU HG2 H 1 2.351 0.003 . 2 . . 978 . A 17 GLU HG2 . 30633 1 263 . 1 . 1 21 21 GLU HG3 H 1 2.405 0.005 . 2 . . 979 . A 17 GLU HG3 . 30633 1 264 . 1 . 1 21 21 GLU C C 13 178.381 0.005 . 1 . . 372 . A 17 GLU C . 30633 1 265 . 1 . 1 21 21 GLU CA C 13 58.449 0.028 . 1 . . 257 . A 17 GLU CA . 30633 1 266 . 1 . 1 21 21 GLU CB C 13 29.092 0.01 . 1 . . 261 . A 17 GLU CB . 30633 1 267 . 1 . 1 21 21 GLU CG C 13 35.104 0.041 . 1 . . 980 . A 17 GLU CG . 30633 1 268 . 1 . 1 21 21 GLU N N 15 121.159 0.028 . 1 . . 74 . A 17 GLU N . 30633 1 269 . 1 . 1 22 22 ILE H H 1 8.072 0.003 . 1 . . 69 . A 18 ILE H . 30633 1 270 . 1 . 1 22 22 ILE HA H 1 3.756 0.012 . 1 . . 631 . A 18 ILE HA . 30633 1 271 . 1 . 1 22 22 ILE HB H 1 1.931 0.006 . 1 . . 630 . A 18 ILE HB . 30633 1 272 . 1 . 1 22 22 ILE HG12 H 1 1.774 0.008 . 2 . . 975 . A 18 ILE HG12 . 30633 1 273 . 1 . 1 22 22 ILE HG13 H 1 1.180 0.009 . 2 . . 977 . A 18 ILE HG13 . 30633 1 274 . 1 . 1 22 22 ILE HG21 H 1 0.947 0.013 . 1 . . 741 . A 18 ILE HG21 . 30633 1 275 . 1 . 1 22 22 ILE HG22 H 1 0.947 0.013 . 1 . . 741 . A 18 ILE HG22 . 30633 1 276 . 1 . 1 22 22 ILE HG23 H 1 0.947 0.013 . 1 . . 741 . A 18 ILE HG23 . 30633 1 277 . 1 . 1 22 22 ILE HD11 H 1 0.894 0.007 . 1 . . 743 . A 18 ILE HD11 . 30633 1 278 . 1 . 1 22 22 ILE HD12 H 1 0.894 0.007 . 1 . . 743 . A 18 ILE HD12 . 30633 1 279 . 1 . 1 22 22 ILE HD13 H 1 0.894 0.007 . 1 . . 743 . A 18 ILE HD13 . 30633 1 280 . 1 . 1 22 22 ILE C C 13 178.748 0.005 . 1 . . 375 . A 18 ILE C . 30633 1 281 . 1 . 1 22 22 ILE CA C 13 64.847 0.053 . 1 . . 256 . A 18 ILE CA . 30633 1 282 . 1 . 1 22 22 ILE CB C 13 38.245 0.021 . 1 . . 255 . A 18 ILE CB . 30633 1 283 . 1 . 1 22 22 ILE CG1 C 13 28.978 0.047 . 1 . . 976 . A 18 ILE CG1 . 30633 1 284 . 1 . 1 22 22 ILE CG2 C 13 16.884 0.065 . 1 . . 740 . A 18 ILE CG2 . 30633 1 285 . 1 . 1 22 22 ILE CD1 C 13 13.277 0.075 . 1 . . 742 . A 18 ILE CD1 . 30633 1 286 . 1 . 1 22 22 ILE N N 15 121.472 0.03 . 1 . . 68 . A 18 ILE N . 30633 1 287 . 1 . 1 23 23 LYS H H 1 7.927 0.003 . 1 . . 77 . A 19 LYS H . 30633 1 288 . 1 . 1 23 23 LYS HA H 1 4.009 0.007 . 1 . . 627 . A 19 LYS HA . 30633 1 289 . 1 . 1 23 23 LYS HB2 H 1 1.950 0.013 . 2 . . 628 . A 19 LYS HB2 . 30633 1 290 . 1 . 1 23 23 LYS HB3 H 1 1.927 0.008 . 2 . . 629 . A 19 LYS HB3 . 30633 1 291 . 1 . 1 23 23 LYS HG2 H 1 1.354 0.005 . 2 . . 951 . A 19 LYS HG2 . 30633 1 292 . 1 . 1 23 23 LYS HG3 H 1 1.516 0.004 . 2 . . 953 . A 19 LYS HG3 . 30633 1 293 . 1 . 1 23 23 LYS HD2 H 1 1.699 0.005 . 1 . . 956 . A 19 LYS HD2 . 30633 1 294 . 1 . 1 23 23 LYS HD3 H 1 1.699 0.005 . 1 . . 954 . A 19 LYS HD3 . 30633 1 295 . 1 . 1 23 23 LYS HE2 H 1 2.992 0.007 . 1 . . 948 . A 19 LYS HE2 . 30633 1 296 . 1 . 1 23 23 LYS HE3 H 1 2.992 0.007 . 1 . . 950 . A 19 LYS HE3 . 30633 1 297 . 1 . 1 23 23 LYS C C 13 178.143 0.006 . 1 . . 381 . A 19 LYS C . 30633 1 298 . 1 . 1 23 23 LYS CA C 13 59.696 0.026 . 1 . . 262 . A 19 LYS CA . 30633 1 299 . 1 . 1 23 23 LYS CB C 13 32.602 0.008 . 1 . . 263 . A 19 LYS CB . 30633 1 300 . 1 . 1 23 23 LYS CG C 13 24.884 0.037 . 1 . . 952 . A 19 LYS CG . 30633 1 301 . 1 . 1 23 23 LYS CD C 13 29.499 . . 1 . . 955 . A 19 LYS CD . 30633 1 302 . 1 . 1 23 23 LYS CE C 13 41.913 . . 1 . . 949 . A 19 LYS CE . 30633 1 303 . 1 . 1 23 23 LYS N N 15 121.132 0.035 . 1 . . 76 . A 19 LYS N . 30633 1 304 . 1 . 1 24 24 ARG H H 1 8.119 0.003 . 1 . . 97 . A 20 ARG H . 30633 1 305 . 1 . 1 24 24 ARG HA H 1 4.136 0.007 . 1 . . 624 . A 20 ARG HA . 30633 1 306 . 1 . 1 24 24 ARG HB2 H 1 1.975 0.009 . 1 . . 626 . A 20 ARG HB2 . 30633 1 307 . 1 . 1 24 24 ARG HB3 H 1 1.975 0.009 . 1 . . 625 . A 20 ARG HB3 . 30633 1 308 . 1 . 1 24 24 ARG HG2 H 1 1.751 0.007 . 2 . . 945 . A 20 ARG HG2 . 30633 1 309 . 1 . 1 24 24 ARG HG3 H 1 1.556 0.012 . 2 . . 947 . A 20 ARG HG3 . 30633 1 310 . 1 . 1 24 24 ARG HD2 H 1 3.169 0.01 . 2 . . 943 . A 20 ARG HD2 . 30633 1 311 . 1 . 1 24 24 ARG HD3 H 1 3.363 0.003 . 2 . . 944 . A 20 ARG HD3 . 30633 1 312 . 1 . 1 24 24 ARG HE H 1 7.887 0.004 . 1 . . 734 . A 20 ARG HE . 30633 1 313 . 1 . 1 24 24 ARG C C 13 179.087 0.014 . 1 . . 386 . A 20 ARG C . 30633 1 314 . 1 . 1 24 24 ARG CA C 13 59.058 0.028 . 1 . . 402 . A 20 ARG CA . 30633 1 315 . 1 . 1 24 24 ARG CB C 13 30.433 0.018 . 1 . . 277 . A 20 ARG CB . 30633 1 316 . 1 . 1 24 24 ARG CG C 13 27.460 0.019 . 1 . . 946 . A 20 ARG CG . 30633 1 317 . 1 . 1 24 24 ARG CD C 13 43.029 0.02 . 1 . . 942 . A 20 ARG CD . 30633 1 318 . 1 . 1 24 24 ARG N N 15 120.045 0.04 . 1 . . 96 . A 20 ARG N . 30633 1 319 . 1 . 1 24 24 ARG NE N 15 84.245 0.034 . 1 . . 735 . A 20 ARG NE . 30633 1 320 . 1 . 1 25 25 GLN H H 1 8.397 0.003 . 1 . . 155 . A 21 GLN H . 30633 1 321 . 1 . 1 25 25 GLN HA H 1 4.038 0.008 . 1 . . 623 . A 21 GLN HA . 30633 1 322 . 1 . 1 25 25 GLN HB2 H 1 2.194 0.01 . 1 . . 622 . A 21 GLN HB2 . 30633 1 323 . 1 . 1 25 25 GLN HB3 H 1 2.194 0.01 . 1 . . 621 . A 21 GLN HB3 . 30633 1 324 . 1 . 1 25 25 GLN HG2 H 1 2.587 0.002 . 2 . . 905 . A 21 GLN HG2 . 30633 1 325 . 1 . 1 25 25 GLN HG3 H 1 2.473 0.006 . 2 . . 906 . A 21 GLN HG3 . 30633 1 326 . 1 . 1 25 25 GLN HE21 H 1 6.874 0.003 . 1 . . 705 . A 21 GLN HE21 . 30633 1 327 . 1 . 1 25 25 GLN HE22 H 1 7.788 0.002 . 1 . . 706 . A 21 GLN HE22 . 30633 1 328 . 1 . 1 25 25 GLN C C 13 178.683 0.002 . 1 . . 379 . A 21 GLN C . 30633 1 329 . 1 . 1 25 25 GLN CA C 13 58.729 0.025 . 1 . . 289 . A 21 GLN CA . 30633 1 330 . 1 . 1 25 25 GLN CB C 13 28.147 0.013 . 1 . . 268 . A 21 GLN CB . 30633 1 331 . 1 . 1 25 25 GLN CG C 13 33.740 0.065 . 1 . . 707 . A 21 GLN CG . 30633 1 332 . 1 . 1 25 25 GLN CD C 13 179.870 . . 1 . . 721 . A 21 GLN CD . 30633 1 333 . 1 . 1 25 25 GLN N N 15 118.079 0.035 . 1 . . 154 . A 21 GLN N . 30633 1 334 . 1 . 1 25 25 GLN NE2 N 15 113.096 0.029 . 1 . . 704 . A 21 GLN NE2 . 30633 1 335 . 1 . 1 26 26 ARG H H 1 8.224 0.004 . 1 . . 91 . A 22 ARG H . 30633 1 336 . 1 . 1 26 26 ARG HA H 1 4.038 0.01 . 1 . . 618 . A 22 ARG HA . 30633 1 337 . 1 . 1 26 26 ARG HB2 H 1 2.002 0.007 . 1 . . 620 . A 22 ARG HB2 . 30633 1 338 . 1 . 1 26 26 ARG HB3 H 1 2.002 0.007 . 1 . . 619 . A 22 ARG HB3 . 30633 1 339 . 1 . 1 26 26 ARG HG2 H 1 1.636 0.003 . 1 . . 924 . A 22 ARG HG2 . 30633 1 340 . 1 . 1 26 26 ARG HG3 H 1 1.636 0.003 . 1 . . 925 . A 22 ARG HG3 . 30633 1 341 . 1 . 1 26 26 ARG HD2 H 1 3.223 0.01 . 1 . . 927 . A 22 ARG HD2 . 30633 1 342 . 1 . 1 26 26 ARG HD3 H 1 3.223 0.01 . 1 . . 926 . A 22 ARG HD3 . 30633 1 343 . 1 . 1 26 26 ARG C C 13 179.197 0.006 . 1 . . 378 . A 22 ARG C . 30633 1 344 . 1 . 1 26 26 ARG CA C 13 59.322 0.044 . 1 . . 266 . A 22 ARG CA . 30633 1 345 . 1 . 1 26 26 ARG CB C 13 30.039 0.004 . 1 . . 267 . A 22 ARG CB . 30633 1 346 . 1 . 1 26 26 ARG CG C 13 27.069 . . 1 . . 929 . A 22 ARG CG . 30633 1 347 . 1 . 1 26 26 ARG CD C 13 43.195 . . 1 . . 928 . A 22 ARG CD . 30633 1 348 . 1 . 1 26 26 ARG N N 15 120.587 0.032 . 1 . . 90 . A 22 ARG N . 30633 1 349 . 1 . 1 27 27 GLU H H 1 8.236 0.003 . 1 . . 83 . A 23 GLU H . 30633 1 350 . 1 . 1 27 27 GLU HA H 1 4.131 0.006 . 1 . . 617 . A 23 GLU HA . 30633 1 351 . 1 . 1 27 27 GLU HB2 H 1 2.193 0.009 . 2 . . 615 . A 23 GLU HB2 . 30633 1 352 . 1 . 1 27 27 GLU HB3 H 1 2.094 0.01 . 2 . . 616 . A 23 GLU HB3 . 30633 1 353 . 1 . 1 27 27 GLU HG2 H 1 2.284 0.009 . 2 . . 921 . A 23 GLU HG2 . 30633 1 354 . 1 . 1 27 27 GLU HG3 H 1 2.501 0.003 . 2 . . 922 . A 23 GLU HG3 . 30633 1 355 . 1 . 1 27 27 GLU C C 13 178.850 0.01 . 1 . . 373 . A 23 GLU C . 30633 1 356 . 1 . 1 27 27 GLU CA C 13 58.785 0.02 . 1 . . 259 . A 23 GLU CA . 30633 1 357 . 1 . 1 27 27 GLU CB C 13 29.292 0.013 . 1 . . 258 . A 23 GLU CB . 30633 1 358 . 1 . 1 27 27 GLU CG C 13 36.448 0.004 . 1 . . 923 . A 23 GLU CG . 30633 1 359 . 1 . 1 27 27 GLU N N 15 120.730 0.041 . 1 . . 82 . A 23 GLU N . 30633 1 360 . 1 . 1 28 28 LEU H H 1 8.180 0.005 . 1 . . 71 . A 24 LEU H . 30633 1 361 . 1 . 1 28 28 LEU HA H 1 4.178 0.009 . 1 . . 612 . A 24 LEU HA . 30633 1 362 . 1 . 1 28 28 LEU HB2 H 1 1.656 0.019 . 2 . . 613 . A 24 LEU HB2 . 30633 1 363 . 1 . 1 28 28 LEU HB3 H 1 1.825 0.013 . 2 . . 614 . A 24 LEU HB3 . 30633 1 364 . 1 . 1 28 28 LEU HG H 1 1.725 0.002 . 1 . . 919 . A 24 LEU HG . 30633 1 365 . 1 . 1 28 28 LEU HD11 H 1 0.911 0.009 . 2 . . 915 . A 24 LEU HD11 . 30633 1 366 . 1 . 1 28 28 LEU HD12 H 1 0.911 0.009 . 2 . . 915 . A 24 LEU HD12 . 30633 1 367 . 1 . 1 28 28 LEU HD13 H 1 0.911 0.009 . 2 . . 915 . A 24 LEU HD13 . 30633 1 368 . 1 . 1 28 28 LEU HD21 H 1 0.920 0.01 . 2 . . 916 . A 24 LEU HD21 . 30633 1 369 . 1 . 1 28 28 LEU HD22 H 1 0.920 0.01 . 2 . . 916 . A 24 LEU HD22 . 30633 1 370 . 1 . 1 28 28 LEU HD23 H 1 0.920 0.01 . 2 . . 916 . A 24 LEU HD23 . 30633 1 371 . 1 . 1 28 28 LEU C C 13 179.364 0.005 . 1 . . 384 . A 24 LEU C . 30633 1 372 . 1 . 1 28 28 LEU CA C 13 57.567 0.098 . 1 . . 282 . A 24 LEU CA . 30633 1 373 . 1 . 1 28 28 LEU CB C 13 41.929 0.028 . 1 . . 260 . A 24 LEU CB . 30633 1 374 . 1 . 1 28 28 LEU CG C 13 27.085 . . 1 . . 920 . A 24 LEU CG . 30633 1 375 . 1 . 1 28 28 LEU CD1 C 13 23.200 . . 2 . . 918 . A 24 LEU CD1 . 30633 1 376 . 1 . 1 28 28 LEU CD2 C 13 24.881 0.01 . 2 . . 917 . A 24 LEU CD2 . 30633 1 377 . 1 . 1 28 28 LEU N N 15 121.419 0.043 . 1 . . 70 . A 24 LEU N . 30633 1 378 . 1 . 1 29 29 ARG H H 1 8.048 0.002 . 1 . . 107 . A 25 ARG H . 30633 1 379 . 1 . 1 29 29 ARG HA H 1 4.155 0.011 . 1 . . 611 . A 25 ARG HA . 30633 1 380 . 1 . 1 29 29 ARG HB2 H 1 1.932 0.018 . 1 . . 610 . A 25 ARG HB2 . 30633 1 381 . 1 . 1 29 29 ARG HB3 H 1 1.932 0.018 . 1 . . 609 . A 25 ARG HB3 . 30633 1 382 . 1 . 1 29 29 ARG HG2 H 1 1.696 0.017 . 1 . . 912 . A 25 ARG HG2 . 30633 1 383 . 1 . 1 29 29 ARG HG3 H 1 1.696 0.017 . 1 . . 911 . A 25 ARG HG3 . 30633 1 384 . 1 . 1 29 29 ARG HD2 H 1 3.238 0.004 . 1 . . 910 . A 25 ARG HD2 . 30633 1 385 . 1 . 1 29 29 ARG HD3 H 1 3.238 0.004 . 1 . . 909 . A 25 ARG HD3 . 30633 1 386 . 1 . 1 29 29 ARG C C 13 178.441 0.002 . 1 . . 324 . A 25 ARG C . 30633 1 387 . 1 . 1 29 29 ARG CA C 13 58.401 0.033 . 1 . . 225 . A 25 ARG CA . 30633 1 388 . 1 . 1 29 29 ARG CB C 13 30.087 0.062 . 1 . . 228 . A 25 ARG CB . 30633 1 389 . 1 . 1 29 29 ARG CG C 13 26.953 0.074 . 1 . . 914 . A 25 ARG CG . 30633 1 390 . 1 . 1 29 29 ARG CD C 13 43.079 . . 1 . . 913 . A 25 ARG CD . 30633 1 391 . 1 . 1 29 29 ARG N N 15 119.238 0.035 . 1 . . 106 . A 25 ARG N . 30633 1 392 . 1 . 1 30 30 ALA H H 1 7.960 0.002 . 1 . . 46 . A 26 ALA H . 30633 1 393 . 1 . 1 30 30 ALA HA H 1 4.254 0.005 . 1 . . 608 . A 26 ALA HA . 30633 1 394 . 1 . 1 30 30 ALA HB1 H 1 1.514 0.006 . 1 . . 413 . A 26 ALA HB1 . 30633 1 395 . 1 . 1 30 30 ALA HB2 H 1 1.514 0.006 . 1 . . 413 . A 26 ALA HB2 . 30633 1 396 . 1 . 1 30 30 ALA HB3 H 1 1.514 0.006 . 1 . . 413 . A 26 ALA HB3 . 30633 1 397 . 1 . 1 30 30 ALA C C 13 179.639 0.001 . 1 . . 323 . A 26 ALA C . 30633 1 398 . 1 . 1 30 30 ALA CA C 13 54.196 0.042 . 1 . . 226 . A 26 ALA CA . 30633 1 399 . 1 . 1 30 30 ALA CB C 13 18.301 0.016 . 1 . . 227 . A 26 ALA CB . 30633 1 400 . 1 . 1 30 30 ALA N N 15 122.528 0.034 . 1 . . 45 . A 26 ALA N . 30633 1 401 . 1 . 1 31 31 GLN H H 1 8.098 0.002 . 1 . . 111 . A 27 GLN H . 30633 1 402 . 1 . 1 31 31 GLN HA H 1 4.200 0.007 . 1 . . 605 . A 27 GLN HA . 30633 1 403 . 1 . 1 31 31 GLN HB2 H 1 2.187 0.005 . 1 . . 607 . A 27 GLN HB2 . 30633 1 404 . 1 . 1 31 31 GLN HB3 H 1 2.187 0.005 . 1 . . 606 . A 27 GLN HB3 . 30633 1 405 . 1 . 1 31 31 GLN HG2 H 1 2.424 0.005 . 2 . . 903 . A 27 GLN HG2 . 30633 1 406 . 1 . 1 31 31 GLN HG3 H 1 2.540 0.001 . 2 . . 904 . A 27 GLN HG3 . 30633 1 407 . 1 . 1 31 31 GLN HE21 H 1 6.874 0.002 . 1 . . 713 . A 27 GLN HE21 . 30633 1 408 . 1 . 1 31 31 GLN HE22 H 1 7.566 0.001 . 1 . . 716 . A 27 GLN HE22 . 30633 1 409 . 1 . 1 31 31 GLN C C 13 177.760 0.009 . 1 . . 322 . A 27 GLN C . 30633 1 410 . 1 . 1 31 31 GLN CA C 13 57.487 0.043 . 1 . . 287 . A 27 GLN CA . 30633 1 411 . 1 . 1 31 31 GLN CB C 13 28.739 0.019 . 1 . . 288 . A 27 GLN CB . 30633 1 412 . 1 . 1 31 31 GLN CG C 13 33.862 0.005 . 1 . . 719 . A 27 GLN CG . 30633 1 413 . 1 . 1 31 31 GLN CD C 13 180.127 . . 1 . . 722 . A 27 GLN CD . 30633 1 414 . 1 . 1 31 31 GLN N N 15 118.663 0.033 . 1 . . 110 . A 27 GLN N . 30633 1 415 . 1 . 1 31 31 GLN NE2 N 15 112.510 0.024 . 1 . . 712 . A 27 GLN NE2 . 30633 1 416 . 1 . 1 32 32 GLN H H 1 8.193 0.003 . 1 . . 105 . A 28 GLN H . 30633 1 417 . 1 . 1 32 32 GLN HA H 1 4.224 0.007 . 1 . . 604 . A 28 GLN HA . 30633 1 418 . 1 . 1 32 32 GLN HB2 H 1 2.137 0.008 . 1 . . 603 . A 28 GLN HB2 . 30633 1 419 . 1 . 1 32 32 GLN HB3 H 1 2.137 0.008 . 1 . . 602 . A 28 GLN HB3 . 30633 1 420 . 1 . 1 32 32 GLN HG2 H 1 2.530 0.0 . 2 . . 901 . A 28 GLN HG2 . 30633 1 421 . 1 . 1 32 32 GLN HG3 H 1 2.439 0.008 . 2 . . 902 . A 28 GLN HG3 . 30633 1 422 . 1 . 1 32 32 GLN HE21 H 1 6.901 0.003 . 1 . . 715 . A 28 GLN HE21 . 30633 1 423 . 1 . 1 32 32 GLN HE22 H 1 7.577 0.003 . 1 . . 717 . A 28 GLN HE22 . 30633 1 424 . 1 . 1 32 32 GLN C C 13 177.250 0.002 . 1 . . 321 . A 28 GLN C . 30633 1 425 . 1 . 1 32 32 GLN CA C 13 57.075 0.019 . 1 . . 188 . A 28 GLN CA . 30633 1 426 . 1 . 1 32 32 GLN CB C 13 28.775 0.03 . 1 . . 190 . A 28 GLN CB . 30633 1 427 . 1 . 1 32 32 GLN CG C 13 33.811 0.047 . 1 . . 718 . A 28 GLN CG . 30633 1 428 . 1 . 1 32 32 GLN CD C 13 180.127 . . 1 . . 723 . A 28 GLN CD . 30633 1 429 . 1 . 1 32 32 GLN N N 15 119.828 0.033 . 1 . . 104 . A 28 GLN N . 30633 1 430 . 1 . 1 32 32 GLN NE2 N 15 112.572 0.022 . 1 . . 714 . A 28 GLN NE2 . 30633 1 431 . 1 . 1 33 33 ALA H H 1 8.127 0.003 . 1 . . 26 . A 29 ALA H . 30633 1 432 . 1 . 1 33 33 ALA HA H 1 4.257 0.013 . 1 . . 453 . A 29 ALA HA . 30633 1 433 . 1 . 1 33 33 ALA HB1 H 1 1.463 0.004 . 1 . . 417 . A 29 ALA HB1 . 30633 1 434 . 1 . 1 33 33 ALA HB2 H 1 1.463 0.004 . 1 . . 417 . A 29 ALA HB2 . 30633 1 435 . 1 . 1 33 33 ALA HB3 H 1 1.463 0.004 . 1 . . 417 . A 29 ALA HB3 . 30633 1 436 . 1 . 1 33 33 ALA C C 13 178.197 0.007 . 1 . . 320 . A 29 ALA C . 30633 1 437 . 1 . 1 33 33 ALA CA C 13 53.368 0.071 . 1 . . 189 . A 29 ALA CA . 30633 1 438 . 1 . 1 33 33 ALA CB C 13 18.723 0.087 . 1 . . 191 . A 29 ALA CB . 30633 1 439 . 1 . 1 33 33 ALA N N 15 123.416 0.04 . 1 . . 25 . A 29 ALA N . 30633 1 440 . 1 . 1 34 34 ALA H H 1 8.005 0.005 . 1 . . 66 . A 30 ALA H . 30633 1 441 . 1 . 1 34 34 ALA HA H 1 4.292 0.012 . 1 . . 452 . A 30 ALA HA . 30633 1 442 . 1 . 1 34 34 ALA HB1 H 1 1.462 0.005 . 1 . . 409 . A 30 ALA HB1 . 30633 1 443 . 1 . 1 34 34 ALA HB2 H 1 1.462 0.005 . 1 . . 409 . A 30 ALA HB2 . 30633 1 444 . 1 . 1 34 34 ALA HB3 H 1 1.462 0.005 . 1 . . 409 . A 30 ALA HB3 . 30633 1 445 . 1 . 1 34 34 ALA C C 13 178.552 0.001 . 1 . . 318 . A 30 ALA C . 30633 1 446 . 1 . 1 34 34 ALA CA C 13 53.003 0.058 . 1 . . 250 . A 30 ALA CA . 30633 1 447 . 1 . 1 34 34 ALA CB C 13 18.839 0.01 . 1 . . 251 . A 30 ALA CB . 30633 1 448 . 1 . 1 34 34 ALA N N 15 121.783 0.046 . 1 . . 65 . A 30 ALA N . 30633 1 449 . 1 . 1 35 35 GLY H H 1 8.209 0.007 . 1 . . 151 . A 31 GLY H . 30633 1 450 . 1 . 1 35 35 GLY HA2 H 1 3.974 0.005 . 1 . . 600 . A 31 GLY HA2 . 30633 1 451 . 1 . 1 35 35 GLY HA3 H 1 3.974 0.005 . 1 . . 601 . A 31 GLY HA3 . 30633 1 452 . 1 . 1 35 35 GLY C C 13 174.248 0.003 . 1 . . 319 . A 31 GLY C . 30633 1 453 . 1 . 1 35 35 GLY CA C 13 45.428 0.051 . 1 . . 275 . A 31 GLY CA . 30633 1 454 . 1 . 1 35 35 GLY N N 15 107.308 0.038 . 1 . . 150 . A 31 GLY N . 30633 1 455 . 1 . 1 36 36 ARG H H 1 8.025 0.007 . 1 . . 95 . A 32 ARG H . 30633 1 456 . 1 . 1 36 36 ARG HA H 1 4.412 0.005 . 1 . . 465 . A 32 ARG HA . 30633 1 457 . 1 . 1 36 36 ARG HB2 H 1 1.888 0.007 . 2 . . 469 . A 32 ARG HB2 . 30633 1 458 . 1 . 1 36 36 ARG HB3 H 1 1.792 0.007 . 2 . . 470 . A 32 ARG HB3 . 30633 1 459 . 1 . 1 36 36 ARG HG2 H 1 1.656 0.006 . 1 . . 791 . A 32 ARG HG2 . 30633 1 460 . 1 . 1 36 36 ARG HG3 H 1 1.656 0.006 . 1 . . 790 . A 32 ARG HG3 . 30633 1 461 . 1 . 1 36 36 ARG HD2 H 1 3.208 0.005 . 1 . . 789 . A 32 ARG HD2 . 30633 1 462 . 1 . 1 36 36 ARG HD3 H 1 3.208 0.005 . 1 . . 788 . A 32 ARG HD3 . 30633 1 463 . 1 . 1 36 36 ARG C C 13 176.243 0.001 . 1 . . 391 . A 32 ARG C . 30633 1 464 . 1 . 1 36 36 ARG CA C 13 55.934 0.013 . 1 . . 274 . A 32 ARG CA . 30633 1 465 . 1 . 1 36 36 ARG CB C 13 30.940 0.009 . 1 . . 276 . A 32 ARG CB . 30633 1 466 . 1 . 1 36 36 ARG CG C 13 26.953 . . 1 . . 793 . A 32 ARG CG . 30633 1 467 . 1 . 1 36 36 ARG CD C 13 43.184 . . 1 . . 792 . A 32 ARG CD . 30633 1 468 . 1 . 1 36 36 ARG N N 15 120.183 0.026 . 1 . . 94 . A 32 ARG N . 30633 1 469 . 1 . 1 37 37 SER H H 1 8.417 0.004 . 1 . . 123 . A 33 SER H . 30633 1 470 . 1 . 1 37 37 SER HA H 1 4.488 0.005 . 1 . . 464 . A 33 SER HA . 30633 1 471 . 1 . 1 37 37 SER HB2 H 1 3.858 0.006 . 1 . . 558 . A 33 SER HB2 . 30633 1 472 . 1 . 1 37 37 SER HB3 H 1 3.858 0.006 . 1 . . 557 . A 33 SER HB3 . 30633 1 473 . 1 . 1 37 37 SER C C 13 174.303 0.003 . 1 . . 359 . A 33 SER C . 30633 1 474 . 1 . 1 37 37 SER CA C 13 58.230 0.028 . 1 . . 206 . A 33 SER CA . 30633 1 475 . 1 . 1 37 37 SER CB C 13 63.659 0.013 . 1 . . 204 . A 33 SER CB . 30633 1 476 . 1 . 1 37 37 SER N N 15 117.395 0.039 . 1 . . 122 . A 33 SER N . 30633 1 477 . 1 . 1 38 38 ILE H H 1 8.298 0.006 . 1 . . 36 . A 34 ILE H . 30633 1 478 . 1 . 1 38 38 ILE HA H 1 4.274 0.007 . 1 . . 561 . A 34 ILE HA . 30633 1 479 . 1 . 1 38 38 ILE HB H 1 1.877 0.005 . 1 . . 598 . A 34 ILE HB . 30633 1 480 . 1 . 1 38 38 ILE HG12 H 1 1.192 0.002 . 2 . . 889 . A 34 ILE HG12 . 30633 1 481 . 1 . 1 38 38 ILE HG13 H 1 1.453 0.004 . 2 . . 891 . A 34 ILE HG13 . 30633 1 482 . 1 . 1 38 38 ILE HG21 H 1 0.893 0.006 . 1 . . 747 . A 34 ILE HG21 . 30633 1 483 . 1 . 1 38 38 ILE HG22 H 1 0.893 0.006 . 1 . . 747 . A 34 ILE HG22 . 30633 1 484 . 1 . 1 38 38 ILE HG23 H 1 0.893 0.006 . 1 . . 747 . A 34 ILE HG23 . 30633 1 485 . 1 . 1 38 38 ILE HD11 H 1 0.856 0.003 . 1 . . 749 . A 34 ILE HD11 . 30633 1 486 . 1 . 1 38 38 ILE HD12 H 1 0.856 0.003 . 1 . . 749 . A 34 ILE HD12 . 30633 1 487 . 1 . 1 38 38 ILE HD13 H 1 0.856 0.003 . 1 . . 749 . A 34 ILE HD13 . 30633 1 488 . 1 . 1 38 38 ILE C C 13 176.246 0.001 . 1 . . 369 . A 34 ILE C . 30633 1 489 . 1 . 1 38 38 ILE CA C 13 60.863 0.02 . 1 . . 205 . A 34 ILE CA . 30633 1 490 . 1 . 1 38 38 ILE CB C 13 38.835 0.075 . 1 . . 207 . A 34 ILE CB . 30633 1 491 . 1 . 1 38 38 ILE CG1 C 13 27.085 0.004 . 1 . . 890 . A 34 ILE CG1 . 30633 1 492 . 1 . 1 38 38 ILE CG2 C 13 17.309 0.038 . 1 . . 746 . A 34 ILE CG2 . 30633 1 493 . 1 . 1 38 38 ILE CD1 C 13 12.888 0.077 . 1 . . 748 . A 34 ILE CD1 . 30633 1 494 . 1 . 1 38 38 ILE N N 15 122.947 0.04 . 1 . . 35 . A 34 ILE N . 30633 1 495 . 1 . 1 39 39 THR H H 1 8.417 0.005 . 1 . . 1020 . A 35 THR H . 30633 1 496 . 1 . 1 39 39 THR HA H 1 4.606 0.001 . 1 . . 599 . A 35 THR HA . 30633 1 497 . 1 . 1 39 39 THR HB H 1 4.148 0.007 . 1 . . 414 . A 35 THR HB . 30633 1 498 . 1 . 1 39 39 THR HG21 H 1 1.256 0.002 . 1 . . 420 . A 35 THR HG21 . 30633 1 499 . 1 . 1 39 39 THR HG22 H 1 1.256 0.002 . 1 . . 420 . A 35 THR HG22 . 30633 1 500 . 1 . 1 39 39 THR HG23 H 1 1.256 0.002 . 1 . . 420 . A 35 THR HG23 . 30633 1 501 . 1 . 1 39 39 THR C C 13 172.856 . . 1 . . 347 . A 35 THR C . 30633 1 502 . 1 . 1 39 39 THR CA C 13 59.904 0.027 . 1 . . 247 . A 35 THR CA . 30633 1 503 . 1 . 1 39 39 THR CB C 13 69.501 0.066 . 1 . . 246 . A 35 THR CB . 30633 1 504 . 1 . 1 39 39 THR CG2 C 13 21.396 0.027 . 1 . . 421 . A 35 THR CG2 . 30633 1 505 . 1 . 1 39 39 THR N N 15 121.868 0.041 . 1 . . 1021 . A 35 THR N . 30633 1 506 . 1 . 1 40 40 PRO HA H 1 4.403 0.006 . 1 . . 595 . A 36 PRO HA . 30633 1 507 . 1 . 1 40 40 PRO HB2 H 1 1.950 0.013 . 2 . . 596 . A 36 PRO HB2 . 30633 1 508 . 1 . 1 40 40 PRO HB3 H 1 2.355 0.009 . 2 . . 597 . A 36 PRO HB3 . 30633 1 509 . 1 . 1 40 40 PRO HG2 H 1 2.012 0.003 . 2 . . 886 . A 36 PRO HG2 . 30633 1 510 . 1 . 1 40 40 PRO HG3 H 1 2.089 0.001 . 2 . . 887 . A 36 PRO HG3 . 30633 1 511 . 1 . 1 40 40 PRO HD2 H 1 3.920 0.01 . 2 . . 883 . A 36 PRO HD2 . 30633 1 512 . 1 . 1 40 40 PRO HD3 H 1 3.750 0.011 . 2 . . 885 . A 36 PRO HD3 . 30633 1 513 . 1 . 1 40 40 PRO C C 13 177.279 0.0 . 1 . . 397 . A 36 PRO C . 30633 1 514 . 1 . 1 40 40 PRO CA C 13 63.625 0.013 . 1 . . 405 . A 36 PRO CA . 30633 1 515 . 1 . 1 40 40 PRO CB C 13 32.141 0.027 . 1 . . 308 . A 36 PRO CB . 30633 1 516 . 1 . 1 40 40 PRO CG C 13 27.369 0.029 . 1 . . 888 . A 36 PRO CG . 30633 1 517 . 1 . 1 40 40 PRO CD C 13 50.993 0.075 . 1 . . 884 . A 36 PRO CD . 30633 1 518 . 1 . 1 41 41 SER H H 1 8.436 0.006 . 1 . . 1024 . A 37 SER H . 30633 1 519 . 1 . 1 41 41 SER HA H 1 4.360 0.004 . 1 . . 592 . A 37 SER HA . 30633 1 520 . 1 . 1 41 41 SER HB2 H 1 3.877 0.006 . 1 . . 594 . A 37 SER HB2 . 30633 1 521 . 1 . 1 41 41 SER HB3 H 1 3.877 0.006 . 1 . . 593 . A 37 SER HB3 . 30633 1 522 . 1 . 1 41 41 SER C C 13 174.839 0.003 . 1 . . 364 . A 37 SER C . 30633 1 523 . 1 . 1 41 41 SER CA C 13 58.988 0.024 . 1 . . 224 . A 37 SER CA . 30633 1 524 . 1 . 1 41 41 SER CB C 13 63.515 0.042 . 1 . . 223 . A 37 SER CB . 30633 1 525 . 1 . 1 41 41 SER N N 15 115.908 0.035 . 1 . . 1025 . A 37 SER N . 30633 1 526 . 1 . 1 42 42 GLU H H 1 8.472 0.003 . 1 . . 1022 . A 38 GLU H . 30633 1 527 . 1 . 1 42 42 GLU HA H 1 4.287 0.006 . 1 . . 542 . A 38 GLU HA . 30633 1 528 . 1 . 1 42 42 GLU HB2 H 1 1.980 0.013 . 2 . . 549 . A 38 GLU HB2 . 30633 1 529 . 1 . 1 42 42 GLU HB3 H 1 2.048 0.007 . 2 . . 550 . A 38 GLU HB3 . 30633 1 530 . 1 . 1 42 42 GLU HG2 H 1 2.256 0.007 . 1 . . 898 . A 38 GLU HG2 . 30633 1 531 . 1 . 1 42 42 GLU HG3 H 1 2.256 0.007 . 1 . . 900 . A 38 GLU HG3 . 30633 1 532 . 1 . 1 42 42 GLU C C 13 176.308 0.004 . 1 . . 363 . A 38 GLU C . 30633 1 533 . 1 . 1 42 42 GLU CA C 13 56.679 0.026 . 1 . . 219 . A 38 GLU CA . 30633 1 534 . 1 . 1 42 42 GLU CB C 13 30.152 0.006 . 1 . . 222 . A 38 GLU CB . 30633 1 535 . 1 . 1 42 42 GLU CG C 13 36.276 . . 1 . . 899 . A 38 GLU CG . 30633 1 536 . 1 . 1 42 42 GLU N N 15 122.567 0.033 . 1 . . 1023 . A 38 GLU N . 30633 1 537 . 1 . 1 43 43 LEU H H 1 8.173 0.005 . 1 . . 44 . A 39 LEU H . 30633 1 538 . 1 . 1 43 43 LEU HA H 1 4.342 0.011 . 1 . . 589 . A 39 LEU HA . 30633 1 539 . 1 . 1 43 43 LEU HB2 H 1 1.607 0.01 . 1 . . 591 . A 39 LEU HB2 . 30633 1 540 . 1 . 1 43 43 LEU HB3 H 1 1.607 0.01 . 1 . . 590 . A 39 LEU HB3 . 30633 1 541 . 1 . 1 43 43 LEU HG H 1 1.619 0.001 . 1 . . 896 . A 39 LEU HG . 30633 1 542 . 1 . 1 43 43 LEU HD11 H 1 0.866 0.002 . 2 . . 892 . A 39 LEU HD11 . 30633 1 543 . 1 . 1 43 43 LEU HD12 H 1 0.866 0.002 . 2 . . 892 . A 39 LEU HD12 . 30633 1 544 . 1 . 1 43 43 LEU HD13 H 1 0.866 0.002 . 2 . . 892 . A 39 LEU HD13 . 30633 1 545 . 1 . 1 43 43 LEU HD21 H 1 0.921 0.003 . 2 . . 894 . A 39 LEU HD21 . 30633 1 546 . 1 . 1 43 43 LEU HD22 H 1 0.921 0.003 . 2 . . 894 . A 39 LEU HD22 . 30633 1 547 . 1 . 1 43 43 LEU HD23 H 1 0.921 0.003 . 2 . . 894 . A 39 LEU HD23 . 30633 1 548 . 1 . 1 43 43 LEU C C 13 177.123 0.004 . 1 . . 374 . A 39 LEU C . 30633 1 549 . 1 . 1 43 43 LEU CA C 13 55.224 0.013 . 1 . . 220 . A 39 LEU CA . 30633 1 550 . 1 . 1 43 43 LEU CB C 13 42.217 0.023 . 1 . . 221 . A 39 LEU CB . 30633 1 551 . 1 . 1 43 43 LEU CG C 13 27.001 . . 1 . . 897 . A 39 LEU CG . 30633 1 552 . 1 . 1 43 43 LEU CD1 C 13 23.336 0.065 . 2 . . 893 . A 39 LEU CD1 . 30633 1 553 . 1 . 1 43 43 LEU CD2 C 13 24.865 . . 2 . . 895 . A 39 LEU CD2 . 30633 1 554 . 1 . 1 43 43 LEU N N 15 122.628 0.064 . 1 . . 43 . A 39 LEU N . 30633 1 555 . 1 . 1 44 44 VAL H H 1 8.045 0.006 . 1 . . 73 . A 40 VAL H . 30633 1 556 . 1 . 1 44 44 VAL HA H 1 4.133 0.007 . 1 . . 518 . A 40 VAL HA . 30633 1 557 . 1 . 1 44 44 VAL HB H 1 2.057 0.007 . 1 . . 519 . A 40 VAL HB . 30633 1 558 . 1 . 1 44 44 VAL HG11 H 1 0.911 0.005 . 2 . . 684 . A 40 VAL HG11 . 30633 1 559 . 1 . 1 44 44 VAL HG12 H 1 0.911 0.005 . 2 . . 684 . A 40 VAL HG12 . 30633 1 560 . 1 . 1 44 44 VAL HG13 H 1 0.911 0.005 . 2 . . 684 . A 40 VAL HG13 . 30633 1 561 . 1 . 1 44 44 VAL HG21 H 1 0.930 0.011 . 2 . . 686 . A 40 VAL HG21 . 30633 1 562 . 1 . 1 44 44 VAL HG22 H 1 0.930 0.011 . 2 . . 686 . A 40 VAL HG22 . 30633 1 563 . 1 . 1 44 44 VAL HG23 H 1 0.930 0.011 . 2 . . 686 . A 40 VAL HG23 . 30633 1 564 . 1 . 1 44 44 VAL C C 13 175.914 0.009 . 1 . . 428 . A 40 VAL C . 30633 1 565 . 1 . 1 44 44 VAL CA C 13 62.036 0.02 . 1 . . 315 . A 40 VAL CA . 30633 1 566 . 1 . 1 44 44 VAL CB C 13 32.799 0.006 . 1 . . 429 . A 40 VAL CB . 30633 1 567 . 1 . 1 44 44 VAL CG1 C 13 20.939 0.061 . 2 . . 685 . A 40 VAL CG1 . 30633 1 568 . 1 . 1 44 44 VAL CG2 C 13 20.615 0.074 . 2 . . 687 . A 40 VAL CG2 . 30633 1 569 . 1 . 1 44 44 VAL N N 15 121.330 0.062 . 1 . . 72 . A 40 VAL N . 30633 1 570 . 1 . 1 45 45 SER H H 1 8.479 0.008 . 1 . . 430 . A 41 SER H . 30633 1 571 . 1 . 1 45 45 SER HA H 1 4.757 0.007 . 1 . . 516 . A 41 SER HA . 30633 1 572 . 1 . 1 45 45 SER HB2 H 1 3.883 . . 1 . . 588 . A 41 SER HB2 . 30633 1 573 . 1 . 1 45 45 SER HB3 H 1 3.883 . . 1 . . 587 . A 41 SER HB3 . 30633 1 574 . 1 . 1 45 45 SER C C 13 172.547 . . 1 . . 432 . A 41 SER C . 30633 1 575 . 1 . 1 45 45 SER CA C 13 56.092 0.01 . 1 . . 434 . A 41 SER CA . 30633 1 576 . 1 . 1 45 45 SER CB C 13 63.318 0.005 . 1 . . 433 . A 41 SER CB . 30633 1 577 . 1 . 1 45 45 SER N N 15 121.548 0.088 . 1 . . 431 . A 41 SER N . 30633 1 578 . 1 . 1 46 46 PRO HA H 1 4.521 0.008 . 1 . . 466 . A 42 PRO HA . 30633 1 579 . 1 . 1 46 46 PRO HB2 H 1 2.301 0.008 . 2 . . 467 . A 42 PRO HB2 . 30633 1 580 . 1 . 1 46 46 PRO HB3 H 1 1.920 0.005 . 2 . . 468 . A 42 PRO HB3 . 30633 1 581 . 1 . 1 46 46 PRO HG2 H 1 2.019 0.007 . 1 . . 881 . A 42 PRO HG2 . 30633 1 582 . 1 . 1 46 46 PRO HG3 H 1 2.019 0.007 . 1 . . 880 . A 42 PRO HG3 . 30633 1 583 . 1 . 1 46 46 PRO HD2 H 1 3.753 0.005 . 2 . . 877 . A 42 PRO HD2 . 30633 1 584 . 1 . 1 46 46 PRO HD3 H 1 3.832 0.01 . 2 . . 879 . A 42 PRO HD3 . 30633 1 585 . 1 . 1 46 46 PRO C C 13 176.841 0.01 . 1 . . 389 . A 42 PRO C . 30633 1 586 . 1 . 1 46 46 PRO CA C 13 63.061 0.049 . 1 . . 295 . A 42 PRO CA . 30633 1 587 . 1 . 1 46 46 PRO CB C 13 32.111 0.011 . 1 . . 293 . A 42 PRO CB . 30633 1 588 . 1 . 1 46 46 PRO CG C 13 27.239 . . 1 . . 882 . A 42 PRO CG . 30633 1 589 . 1 . 1 46 46 PRO CD C 13 50.719 0.069 . 1 . . 878 . A 42 PRO CD . 30633 1 590 . 1 . 1 47 47 THR H H 1 8.394 0.008 . 1 . . 117 . A 43 THR H . 30633 1 591 . 1 . 1 47 47 THR HA H 1 4.566 0.004 . 1 . . 463 . A 43 THR HA . 30633 1 592 . 1 . 1 47 47 THR HB H 1 4.156 0.002 . 1 . . 586 . A 43 THR HB . 30633 1 593 . 1 . 1 47 47 THR HG21 H 1 1.256 0.003 . 1 . . 769 . A 43 THR HG21 . 30633 1 594 . 1 . 1 47 47 THR HG22 H 1 1.256 0.003 . 1 . . 769 . A 43 THR HG22 . 30633 1 595 . 1 . 1 47 47 THR HG23 H 1 1.256 0.003 . 1 . . 769 . A 43 THR HG23 . 30633 1 596 . 1 . 1 47 47 THR C C 13 172.979 . . 1 . . 348 . A 43 THR C . 30633 1 597 . 1 . 1 47 47 THR CA C 13 59.908 0.046 . 1 . . 292 . A 43 THR CA . 30633 1 598 . 1 . 1 47 47 THR CB C 13 69.668 0.003 . 1 . . 294 . A 43 THR CB . 30633 1 599 . 1 . 1 47 47 THR CG2 C 13 21.411 0.074 . 1 . . 768 . A 43 THR CG2 . 30633 1 600 . 1 . 1 47 47 THR N N 15 117.598 0.041 . 1 . . 116 . A 43 THR N . 30633 1 601 . 1 . 1 48 48 PRO HA H 1 4.444 0.007 . 1 . . 583 . A 44 PRO HA . 30633 1 602 . 1 . 1 48 48 PRO HB2 H 1 1.915 0.01 . 2 . . 584 . A 44 PRO HB2 . 30633 1 603 . 1 . 1 48 48 PRO HB3 H 1 2.329 0.006 . 2 . . 585 . A 44 PRO HB3 . 30633 1 604 . 1 . 1 48 48 PRO HG2 H 1 2.068 0.008 . 1 . . 875 . A 44 PRO HG2 . 30633 1 605 . 1 . 1 48 48 PRO HG3 H 1 2.068 0.008 . 1 . . 874 . A 44 PRO HG3 . 30633 1 606 . 1 . 1 48 48 PRO HD2 H 1 3.712 0.005 . 2 . . 785 . A 44 PRO HD2 . 30633 1 607 . 1 . 1 48 48 PRO HD3 H 1 3.876 0.005 . 2 . . 786 . A 44 PRO HD3 . 30633 1 608 . 1 . 1 48 48 PRO C C 13 176.975 0.005 . 1 . . 393 . A 44 PRO C . 30633 1 609 . 1 . 1 48 48 PRO CA C 13 63.282 0.066 . 1 . . 305 . A 44 PRO CA . 30633 1 610 . 1 . 1 48 48 PRO CB C 13 32.145 0.025 . 1 . . 307 . A 44 PRO CB . 30633 1 611 . 1 . 1 48 48 PRO CG C 13 27.331 . . 1 . . 876 . A 44 PRO CG . 30633 1 612 . 1 . 1 48 48 PRO CD C 13 50.989 0.047 . 1 . . 787 . A 44 PRO CD . 30633 1 613 . 1 . 1 49 49 SER H H 1 8.528 0.007 . 1 . . 129 . A 45 SER H . 30633 1 614 . 1 . 1 49 49 SER HA H 1 4.416 0.008 . 1 . . 582 . A 45 SER HA . 30633 1 615 . 1 . 1 49 49 SER HB2 H 1 3.881 0.006 . 1 . . 581 . A 45 SER HB2 . 30633 1 616 . 1 . 1 49 49 SER HB3 H 1 3.881 0.006 . 1 . . 580 . A 45 SER HB3 . 30633 1 617 . 1 . 1 49 49 SER C C 13 174.819 0.015 . 1 . . 356 . A 45 SER C . 30633 1 618 . 1 . 1 49 49 SER CA C 13 58.406 0.038 . 1 . . 306 . A 45 SER CA . 30633 1 619 . 1 . 1 49 49 SER CB C 13 63.814 0.005 . 1 . . 304 . A 45 SER CB . 30633 1 620 . 1 . 1 49 49 SER N N 15 116.607 0.065 . 1 . . 128 . A 45 SER N . 30633 1 621 . 1 . 1 50 50 ARG H H 1 8.497 0.005 . 1 . . 24 . A 46 ARG H . 30633 1 622 . 1 . 1 50 50 ARG HA H 1 4.346 0.009 . 1 . . 478 . A 46 ARG HA . 30633 1 623 . 1 . 1 50 50 ARG HB2 H 1 1.775 0.01 . 2 . . 479 . A 46 ARG HB2 . 30633 1 624 . 1 . 1 50 50 ARG HB3 H 1 1.895 0.008 . 2 . . 480 . A 46 ARG HB3 . 30633 1 625 . 1 . 1 50 50 ARG HG2 H 1 1.678 0.004 . 1 . . 871 . A 46 ARG HG2 . 30633 1 626 . 1 . 1 50 50 ARG HG3 H 1 1.678 0.004 . 1 . . 870 . A 46 ARG HG3 . 30633 1 627 . 1 . 1 50 50 ARG HD2 H 1 3.207 0.006 . 1 . . 869 . A 46 ARG HD2 . 30633 1 628 . 1 . 1 50 50 ARG HD3 H 1 3.207 0.006 . 1 . . 868 . A 46 ARG HD3 . 30633 1 629 . 1 . 1 50 50 ARG C C 13 176.294 0.002 . 1 . . 350 . A 46 ARG C . 30633 1 630 . 1 . 1 50 50 ARG CA C 13 56.125 0.042 . 1 . . 163 . A 46 ARG CA . 30633 1 631 . 1 . 1 50 50 ARG CB C 13 30.626 0.009 . 1 . . 165 . A 46 ARG CB . 30633 1 632 . 1 . 1 50 50 ARG CG C 13 27.238 0.106 . 1 . . 872 . A 46 ARG CG . 30633 1 633 . 1 . 1 50 50 ARG CD C 13 43.240 . . 1 . . 873 . A 46 ARG CD . 30633 1 634 . 1 . 1 50 50 ARG N N 15 123.526 0.029 . 1 . . 23 . A 46 ARG N . 30633 1 635 . 1 . 1 51 51 ALA H H 1 8.406 0.004 . 1 . . 8 . A 47 ALA H . 30633 1 636 . 1 . 1 51 51 ALA HA H 1 4.265 0.006 . 1 . . 477 . A 47 ALA HA . 30633 1 637 . 1 . 1 51 51 ALA HB1 H 1 1.380 0.005 . 1 . . 418 . A 47 ALA HB1 . 30633 1 638 . 1 . 1 51 51 ALA HB2 H 1 1.380 0.005 . 1 . . 418 . A 47 ALA HB2 . 30633 1 639 . 1 . 1 51 51 ALA HB3 H 1 1.380 0.005 . 1 . . 418 . A 47 ALA HB3 . 30633 1 640 . 1 . 1 51 51 ALA C C 13 177.746 0.009 . 1 . . 387 . A 47 ALA C . 30633 1 641 . 1 . 1 51 51 ALA CA C 13 52.892 0.013 . 1 . . 164 . A 47 ALA CA . 30633 1 642 . 1 . 1 51 51 ALA CB C 13 18.986 0.078 . 1 . . 166 . A 47 ALA CB . 30633 1 643 . 1 . 1 51 51 ALA N N 15 124.981 0.058 . 1 . . 7 . A 47 ALA N . 30633 1 644 . 1 . 1 52 52 ASN H H 1 8.466 0.003 . 1 . . 113 . A 48 ASN H . 30633 1 645 . 1 . 1 52 52 ASN HA H 1 4.708 0.007 . 1 . . 535 . A 48 ASN HA . 30633 1 646 . 1 . 1 52 52 ASN HB2 H 1 2.786 0.013 . 2 . . 536 . A 48 ASN HB2 . 30633 1 647 . 1 . 1 52 52 ASN HB3 H 1 2.864 0.005 . 2 . . 537 . A 48 ASN HB3 . 30633 1 648 . 1 . 1 52 52 ASN HD21 H 1 6.999 0.002 . 1 . . 699 . A 48 ASN HD21 . 30633 1 649 . 1 . 1 52 52 ASN HD22 H 1 7.703 0.002 . 1 . . 700 . A 48 ASN HD22 . 30633 1 650 . 1 . 1 52 52 ASN C C 13 175.444 0.002 . 1 . . 394 . A 48 ASN C . 30633 1 651 . 1 . 1 52 52 ASN CA C 13 53.367 0.036 . 1 . . 290 . A 48 ASN CA . 30633 1 652 . 1 . 1 52 52 ASN CB C 13 38.757 0.047 . 1 . . 291 . A 48 ASN CB . 30633 1 653 . 1 . 1 52 52 ASN CG C 13 176.996 . . 1 . . 702 . A 48 ASN CG . 30633 1 654 . 1 . 1 52 52 ASN N N 15 117.842 0.032 . 1 . . 112 . A 48 ASN N . 30633 1 655 . 1 . 1 52 52 ASN ND2 N 15 113.655 0.024 . 1 . . 698 . A 48 ASN ND2 . 30633 1 656 . 1 . 1 53 53 SER H H 1 8.289 0.003 . 1 . . 131 . A 49 SER H . 30633 1 657 . 1 . 1 53 53 SER HA H 1 4.439 0.007 . 1 . . 534 . A 49 SER HA . 30633 1 658 . 1 . 1 53 53 SER HB2 H 1 3.876 0.006 . 2 . . 578 . A 49 SER HB2 . 30633 1 659 . 1 . 1 53 53 SER HB3 H 1 3.950 0.011 . 2 . . 579 . A 49 SER HB3 . 30633 1 660 . 1 . 1 53 53 SER C C 13 174.595 0.013 . 1 . . 360 . A 49 SER C . 30633 1 661 . 1 . 1 53 53 SER CA C 13 58.678 0.027 . 1 . . 209 . A 49 SER CA . 30633 1 662 . 1 . 1 53 53 SER CB C 13 63.830 0.013 . 1 . . 208 . A 49 SER CB . 30633 1 663 . 1 . 1 53 53 SER N N 15 116.404 0.039 . 1 . . 130 . A 49 SER N . 30633 1 664 . 1 . 1 54 54 ARG H H 1 8.439 0.003 . 1 . . 38 . A 50 ARG H . 30633 1 665 . 1 . 1 54 54 ARG HA H 1 4.293 0.007 . 1 . . 575 . A 50 ARG HA . 30633 1 666 . 1 . 1 54 54 ARG HB2 H 1 1.867 0.015 . 2 . . 576 . A 50 ARG HB2 . 30633 1 667 . 1 . 1 54 54 ARG HB3 H 1 1.785 0.011 . 2 . . 577 . A 50 ARG HB3 . 30633 1 668 . 1 . 1 54 54 ARG HG2 H 1 1.651 0.01 . 1 . . 865 . A 50 ARG HG2 . 30633 1 669 . 1 . 1 54 54 ARG HG3 H 1 1.651 0.01 . 1 . . 864 . A 50 ARG HG3 . 30633 1 670 . 1 . 1 54 54 ARG HD2 H 1 3.219 0.003 . 1 . . 863 . A 50 ARG HD2 . 30633 1 671 . 1 . 1 54 54 ARG HD3 H 1 3.219 0.003 . 1 . . 862 . A 50 ARG HD3 . 30633 1 672 . 1 . 1 54 54 ARG C C 13 176.506 0.006 . 1 . . 368 . A 50 ARG C . 30633 1 673 . 1 . 1 54 54 ARG CA C 13 56.690 0.052 . 1 . . 210 . A 50 ARG CA . 30633 1 674 . 1 . 1 54 54 ARG CB C 13 30.390 0.01 . 1 . . 400 . A 50 ARG CB . 30633 1 675 . 1 . 1 54 54 ARG CG C 13 26.887 . . 1 . . 867 . A 50 ARG CG . 30633 1 676 . 1 . 1 54 54 ARG CD C 13 43.187 . . 1 . . 866 . A 50 ARG CD . 30633 1 677 . 1 . 1 54 54 ARG N N 15 122.878 0.042 . 1 . . 37 . A 50 ARG N . 30633 1 678 . 1 . 1 55 55 ARG H H 1 8.380 0.003 . 1 . . 60 . A 51 ARG H . 30633 1 679 . 1 . 1 55 55 ARG HA H 1 4.263 0.009 . 1 . . 574 . A 51 ARG HA . 30633 1 680 . 1 . 1 55 55 ARG HB2 H 1 1.857 0.008 . 2 . . 572 . A 51 ARG HB2 . 30633 1 681 . 1 . 1 55 55 ARG HB3 H 1 1.782 0.01 . 2 . . 573 . A 51 ARG HB3 . 30633 1 682 . 1 . 1 55 55 ARG HG2 H 1 1.650 0.002 . 1 . . 857 . A 51 ARG HG2 . 30633 1 683 . 1 . 1 55 55 ARG HG3 H 1 1.650 0.002 . 1 . . 856 . A 51 ARG HG3 . 30633 1 684 . 1 . 1 55 55 ARG HD2 H 1 3.206 0.01 . 1 . . 860 . A 51 ARG HD2 . 30633 1 685 . 1 . 1 55 55 ARG HD3 H 1 3.206 0.01 . 1 . . 859 . A 51 ARG HD3 . 30633 1 686 . 1 . 1 55 55 ARG C C 13 176.838 0.029 . 1 . . 399 . A 51 ARG C . 30633 1 687 . 1 . 1 55 55 ARG CA C 13 56.760 0.032 . 1 . . 238 . A 51 ARG CA . 30633 1 688 . 1 . 1 55 55 ARG CB C 13 30.553 0.074 . 1 . . 239 . A 51 ARG CB . 30633 1 689 . 1 . 1 55 55 ARG CG C 13 26.982 . . 1 . . 858 . A 51 ARG CG . 30633 1 690 . 1 . 1 55 55 ARG CD C 13 43.053 . . 1 . . 861 . A 51 ARG CD . 30633 1 691 . 1 . 1 55 55 ARG N N 15 121.932 0.037 . 1 . . 59 . A 51 ARG N . 30633 1 692 . 1 . 1 56 56 GLU H H 1 8.498 0.004 . 1 . . 58 . A 52 GLU H . 30633 1 693 . 1 . 1 56 56 GLU HA H 1 4.239 0.011 . 1 . . 571 . A 52 GLU HA . 30633 1 694 . 1 . 1 56 56 GLU HB2 H 1 2.061 0.009 . 2 . . 569 . A 52 GLU HB2 . 30633 1 695 . 1 . 1 56 56 GLU HB3 H 1 1.990 0.008 . 2 . . 570 . A 52 GLU HB3 . 30633 1 696 . 1 . 1 56 56 GLU HG2 H 1 2.282 0.012 . 2 . . 852 . A 52 GLU HG2 . 30633 1 697 . 1 . 1 56 56 GLU HG3 H 1 2.315 0.012 . 2 . . 853 . A 52 GLU HG3 . 30633 1 698 . 1 . 1 56 56 GLU C C 13 177.085 0.01 . 1 . . 376 . A 52 GLU C . 30633 1 699 . 1 . 1 56 56 GLU CA C 13 57.255 0.049 . 1 . . 244 . A 52 GLU CA . 30633 1 700 . 1 . 1 56 56 GLU CB C 13 29.873 0.035 . 1 . . 245 . A 52 GLU CB . 30633 1 701 . 1 . 1 56 56 GLU CG C 13 36.143 0.003 . 1 . . 854 . A 52 GLU CG . 30633 1 702 . 1 . 1 56 56 GLU N N 15 121.926 0.029 . 1 . . 57 . A 52 GLU N . 30633 1 703 . 1 . 1 57 57 ILE H H 1 8.190 0.005 . 1 . . 79 . A 53 ILE H . 30633 1 704 . 1 . 1 57 57 ILE HA H 1 4.085 0.004 . 1 . . 567 . A 53 ILE HA . 30633 1 705 . 1 . 1 57 57 ILE HB H 1 1.893 0.006 . 1 . . 568 . A 53 ILE HB . 30633 1 706 . 1 . 1 57 57 ILE HG12 H 1 1.198 0.003 . 2 . . 849 . A 53 ILE HG12 . 30633 1 707 . 1 . 1 57 57 ILE HG13 H 1 1.493 0.001 . 2 . . 850 . A 53 ILE HG13 . 30633 1 708 . 1 . 1 57 57 ILE HG21 H 1 0.914 0.003 . 1 . . 759 . A 53 ILE HG21 . 30633 1 709 . 1 . 1 57 57 ILE HG22 H 1 0.914 0.003 . 1 . . 759 . A 53 ILE HG22 . 30633 1 710 . 1 . 1 57 57 ILE HG23 H 1 0.914 0.003 . 1 . . 759 . A 53 ILE HG23 . 30633 1 711 . 1 . 1 57 57 ILE HD11 H 1 0.859 0.002 . 1 . . 761 . A 53 ILE HD11 . 30633 1 712 . 1 . 1 57 57 ILE HD12 H 1 0.859 0.002 . 1 . . 761 . A 53 ILE HD12 . 30633 1 713 . 1 . 1 57 57 ILE HD13 H 1 0.859 0.002 . 1 . . 761 . A 53 ILE HD13 . 30633 1 714 . 1 . 1 57 57 ILE C C 13 176.710 0.009 . 1 . . 354 . A 53 ILE C . 30633 1 715 . 1 . 1 57 57 ILE CA C 13 61.938 0.047 . 1 . . 180 . A 53 ILE CA . 30633 1 716 . 1 . 1 57 57 ILE CB C 13 38.473 0.042 . 1 . . 181 . A 53 ILE CB . 30633 1 717 . 1 . 1 57 57 ILE CG1 C 13 27.351 0.017 . 1 . . 851 . A 53 ILE CG1 . 30633 1 718 . 1 . 1 57 57 ILE CG2 C 13 17.290 0.036 . 1 . . 758 . A 53 ILE CG2 . 30633 1 719 . 1 . 1 57 57 ILE CD1 C 13 13.137 0.068 . 1 . . 760 . A 53 ILE CD1 . 30633 1 720 . 1 . 1 57 57 ILE N N 15 121.113 0.036 . 1 . . 78 . A 53 ILE N . 30633 1 721 . 1 . 1 58 58 GLU H H 1 8.496 0.003 . 1 . . 18 . A 54 GLU H . 30633 1 722 . 1 . 1 58 58 GLU HA H 1 4.214 0.005 . 1 . . 566 . A 54 GLU HA . 30633 1 723 . 1 . 1 58 58 GLU HB2 H 1 2.007 0.008 . 1 . . 538 . A 54 GLU HB2 . 30633 1 724 . 1 . 1 58 58 GLU HB3 H 1 2.007 0.008 . 1 . . 539 . A 54 GLU HB3 . 30633 1 725 . 1 . 1 58 58 GLU HG2 H 1 2.324 0.003 . 2 . . 825 . A 54 GLU HG2 . 30633 1 726 . 1 . 1 58 58 GLU HG3 H 1 2.274 0.003 . 2 . . 826 . A 54 GLU HG3 . 30633 1 727 . 1 . 1 58 58 GLU C C 13 176.882 0.014 . 1 . . 425 . A 54 GLU C . 30633 1 728 . 1 . 1 58 58 GLU CA C 13 57.456 0.037 . 1 . . 182 . A 54 GLU CA . 30633 1 729 . 1 . 1 58 58 GLU CB C 13 30.013 0.04 . 1 . . 314 . A 54 GLU CB . 30633 1 730 . 1 . 1 58 58 GLU CG C 13 36.227 0.001 . 1 . . 827 . A 54 GLU CG . 30633 1 731 . 1 . 1 58 58 GLU N N 15 123.837 0.057 . 1 . . 17 . A 54 GLU N . 30633 1 732 . 1 . 1 59 59 SER H H 1 8.313 0.007 . 1 . . 427 . A 55 SER H . 30633 1 733 . 1 . 1 59 59 SER HA H 1 4.419 0.015 . 1 . . 533 . A 55 SER HA . 30633 1 734 . 1 . 1 59 59 SER HB2 H 1 3.893 0.007 . 1 . . 565 . A 55 SER HB2 . 30633 1 735 . 1 . 1 59 59 SER HB3 H 1 3.893 0.007 . 1 . . 564 . A 55 SER HB3 . 30633 1 736 . 1 . 1 59 59 SER C C 13 174.891 . . 1 . . 352 . A 55 SER C . 30633 1 737 . 1 . 1 59 59 SER CA C 13 58.895 0.008 . 1 . . 175 . A 55 SER CA . 30633 1 738 . 1 . 1 59 59 SER CB C 13 63.588 0.012 . 1 . . 174 . A 55 SER CB . 30633 1 739 . 1 . 1 59 59 SER N N 15 116.305 0.028 . 1 . . 426 . A 55 SER N . 30633 1 740 . 1 . 1 60 60 LEU H H 1 8.242 0.003 . 1 . . 14 . A 56 LEU H . 30633 1 741 . 1 . 1 60 60 LEU HA H 1 4.352 0.007 . 1 . . 540 . A 56 LEU HA . 30633 1 742 . 1 . 1 60 60 LEU HB2 H 1 1.650 0.01 . 2 . . 562 . A 56 LEU HB2 . 30633 1 743 . 1 . 1 60 60 LEU HB3 H 1 1.707 0.007 . 2 . . 563 . A 56 LEU HB3 . 30633 1 744 . 1 . 1 60 60 LEU HG H 1 1.616 0.002 . 1 . . 847 . A 56 LEU HG . 30633 1 745 . 1 . 1 60 60 LEU HD11 H 1 0.880 0.018 . 2 . . 843 . A 56 LEU HD11 . 30633 1 746 . 1 . 1 60 60 LEU HD12 H 1 0.880 0.018 . 2 . . 843 . A 56 LEU HD12 . 30633 1 747 . 1 . 1 60 60 LEU HD13 H 1 0.880 0.018 . 2 . . 843 . A 56 LEU HD13 . 30633 1 748 . 1 . 1 60 60 LEU HD21 H 1 0.917 0.008 . 2 . . 845 . A 56 LEU HD21 . 30633 1 749 . 1 . 1 60 60 LEU HD22 H 1 0.917 0.008 . 2 . . 845 . A 56 LEU HD22 . 30633 1 750 . 1 . 1 60 60 LEU HD23 H 1 0.917 0.008 . 2 . . 845 . A 56 LEU HD23 . 30633 1 751 . 1 . 1 60 60 LEU C C 13 177.883 0.01 . 1 . . 377 . A 56 LEU C . 30633 1 752 . 1 . 1 60 60 LEU CA C 13 55.840 0.045 . 1 . . 176 . A 56 LEU CA . 30633 1 753 . 1 . 1 60 60 LEU CB C 13 42.021 0.064 . 1 . . 177 . A 56 LEU CB . 30633 1 754 . 1 . 1 60 60 LEU CG C 13 26.941 . . 1 . . 848 . A 56 LEU CG . 30633 1 755 . 1 . 1 60 60 LEU CD1 C 13 23.334 . . 2 . . 844 . A 56 LEU CD1 . 30633 1 756 . 1 . 1 60 60 LEU CD2 C 13 24.766 . . 2 . . 846 . A 56 LEU CD2 . 30633 1 757 . 1 . 1 60 60 LEU N N 15 124.447 0.03 . 1 . . 13 . A 56 LEU N . 30633 1 758 . 1 . 1 61 61 ILE H H 1 8.091 0.003 . 1 . . 81 . A 57 ILE H . 30633 1 759 . 1 . 1 61 61 ILE HA H 1 4.060 0.006 . 1 . . 559 . A 57 ILE HA . 30633 1 760 . 1 . 1 61 61 ILE HB H 1 1.881 0.003 . 1 . . 560 . A 57 ILE HB . 30633 1 761 . 1 . 1 61 61 ILE HG12 H 1 1.201 0.014 . 2 . . 840 . A 57 ILE HG12 . 30633 1 762 . 1 . 1 61 61 ILE HG13 H 1 1.497 0.017 . 2 . . 841 . A 57 ILE HG13 . 30633 1 763 . 1 . 1 61 61 ILE HG21 H 1 0.913 0.006 . 1 . . 757 . A 57 ILE HG21 . 30633 1 764 . 1 . 1 61 61 ILE HG22 H 1 0.913 0.006 . 1 . . 757 . A 57 ILE HG22 . 30633 1 765 . 1 . 1 61 61 ILE HG23 H 1 0.913 0.006 . 1 . . 757 . A 57 ILE HG23 . 30633 1 766 . 1 . 1 61 61 ILE HD11 H 1 0.859 0.002 . 1 . . 754 . A 57 ILE HD11 . 30633 1 767 . 1 . 1 61 61 ILE HD12 H 1 0.859 0.002 . 1 . . 754 . A 57 ILE HD12 . 30633 1 768 . 1 . 1 61 61 ILE HD13 H 1 0.859 0.002 . 1 . . 754 . A 57 ILE HD13 . 30633 1 769 . 1 . 1 61 61 ILE C C 13 176.388 0.005 . 1 . . 358 . A 57 ILE C . 30633 1 770 . 1 . 1 61 61 ILE CA C 13 62.064 0.005 . 1 . . 265 . A 57 ILE CA . 30633 1 771 . 1 . 1 61 61 ILE CB C 13 38.505 0.003 . 1 . . 264 . A 57 ILE CB . 30633 1 772 . 1 . 1 61 61 ILE CG1 C 13 27.239 0.029 . 1 . . 842 . A 57 ILE CG1 . 30633 1 773 . 1 . 1 61 61 ILE CG2 C 13 17.295 0.07 . 1 . . 756 . A 57 ILE CG2 . 30633 1 774 . 1 . 1 61 61 ILE CD1 C 13 12.851 0.078 . 1 . . 755 . A 57 ILE CD1 . 30633 1 775 . 1 . 1 61 61 ILE N N 15 120.821 0.031 . 1 . . 80 . A 57 ILE N . 30633 1 776 . 1 . 1 62 62 ASP H H 1 8.316 0.004 . 1 . . 34 . A 58 ASP H . 30633 1 777 . 1 . 1 62 62 ASP HA H 1 4.571 0.007 . 1 . . 552 . A 58 ASP HA . 30633 1 778 . 1 . 1 62 62 ASP HB2 H 1 2.655 0.011 . 2 . . 553 . A 58 ASP HB2 . 30633 1 779 . 1 . 1 62 62 ASP HB3 H 1 2.713 0.011 . 2 . . 554 . A 58 ASP HB3 . 30633 1 780 . 1 . 1 62 62 ASP C C 13 176.833 0.01 . 1 . . 396 . A 58 ASP C . 30633 1 781 . 1 . 1 62 62 ASP CA C 13 55.198 0.043 . 1 . . 202 . A 58 ASP CA . 30633 1 782 . 1 . 1 62 62 ASP CB C 13 40.896 0.056 . 1 . . 203 . A 58 ASP CB . 30633 1 783 . 1 . 1 62 62 ASP N N 15 123.170 0.029 . 1 . . 33 . A 58 ASP N . 30633 1 784 . 1 . 1 63 63 SER H H 1 8.209 0.002 . 1 . . 135 . A 59 SER H . 30633 1 785 . 1 . 1 63 63 SER HA H 1 4.391 0.012 . 1 . . 544 . A 59 SER HA . 30633 1 786 . 1 . 1 63 63 SER HB2 H 1 3.918 0.006 . 1 . . 545 . A 59 SER HB2 . 30633 1 787 . 1 . 1 63 63 SER HB3 H 1 3.918 0.006 . 1 . . 546 . A 59 SER HB3 . 30633 1 788 . 1 . 1 63 63 SER C C 13 175.216 0.022 . 1 . . 362 . A 59 SER C . 30633 1 789 . 1 . 1 63 63 SER CA C 13 59.228 0.077 . 1 . . 213 . A 59 SER CA . 30633 1 790 . 1 . 1 63 63 SER CB C 13 63.634 0.005 . 1 . . 211 . A 59 SER CB . 30633 1 791 . 1 . 1 63 63 SER N N 15 116.208 0.036 . 1 . . 134 . A 59 SER N . 30633 1 792 . 1 . 1 64 64 ILE H H 1 8.160 0.004 . 1 . . 42 . A 60 ILE H . 30633 1 793 . 1 . 1 64 64 ILE HA H 1 4.111 0.007 . 1 . . 551 . A 60 ILE HA . 30633 1 794 . 1 . 1 64 64 ILE HB H 1 1.941 0.013 . 1 . . 541 . A 60 ILE HB . 30633 1 795 . 1 . 1 64 64 ILE HG12 H 1 1.172 0.009 . 2 . . 837 . A 60 ILE HG12 . 30633 1 796 . 1 . 1 64 64 ILE HG13 H 1 1.520 0.003 . 2 . . 839 . A 60 ILE HG13 . 30633 1 797 . 1 . 1 64 64 ILE HG21 H 1 0.913 0.003 . 1 . . 763 . A 60 ILE HG21 . 30633 1 798 . 1 . 1 64 64 ILE HG22 H 1 0.913 0.003 . 1 . . 763 . A 60 ILE HG22 . 30633 1 799 . 1 . 1 64 64 ILE HG23 H 1 0.913 0.003 . 1 . . 763 . A 60 ILE HG23 . 30633 1 800 . 1 . 1 64 64 ILE HD11 H 1 0.859 0.002 . 1 . . 745 . A 60 ILE HD11 . 30633 1 801 . 1 . 1 64 64 ILE HD12 H 1 0.859 0.002 . 1 . . 745 . A 60 ILE HD12 . 30633 1 802 . 1 . 1 64 64 ILE HD13 H 1 0.859 0.002 . 1 . . 745 . A 60 ILE HD13 . 30633 1 803 . 1 . 1 64 64 ILE C C 13 177.087 0.011 . 1 . . 353 . A 60 ILE C . 30633 1 804 . 1 . 1 64 64 ILE CA C 13 62.245 0.076 . 1 . . 212 . A 60 ILE CA . 30633 1 805 . 1 . 1 64 64 ILE CB C 13 38.296 0.026 . 1 . . 214 . A 60 ILE CB . 30633 1 806 . 1 . 1 64 64 ILE CG1 C 13 27.492 . . 1 . . 838 . A 60 ILE CG1 . 30633 1 807 . 1 . 1 64 64 ILE CG2 C 13 17.300 0.068 . 1 . . 762 . A 60 ILE CG2 . 30633 1 808 . 1 . 1 64 64 ILE CD1 C 13 12.910 0.067 . 1 . . 744 . A 60 ILE CD1 . 30633 1 809 . 1 . 1 64 64 ILE N N 15 122.768 0.032 . 1 . . 41 . A 60 ILE N . 30633 1 810 . 1 . 1 65 65 LEU H H 1 8.286 0.003 . 1 . . 16 . A 61 LEU H . 30633 1 811 . 1 . 1 65 65 LEU HA H 1 4.338 0.006 . 1 . . 828 . A 61 LEU HA . 30633 1 812 . 1 . 1 65 65 LEU HB2 H 1 1.601 0.006 . 2 . . 829 . A 61 LEU HB2 . 30633 1 813 . 1 . 1 65 65 LEU HB3 H 1 1.725 0.006 . 2 . . 830 . A 61 LEU HB3 . 30633 1 814 . 1 . 1 65 65 LEU HG H 1 1.648 0.005 . 1 . . 835 . A 61 LEU HG . 30633 1 815 . 1 . 1 65 65 LEU HD11 H 1 0.868 0.003 . 2 . . 832 . A 61 LEU HD11 . 30633 1 816 . 1 . 1 65 65 LEU HD12 H 1 0.868 0.003 . 2 . . 832 . A 61 LEU HD12 . 30633 1 817 . 1 . 1 65 65 LEU HD13 H 1 0.868 0.003 . 2 . . 832 . A 61 LEU HD13 . 30633 1 818 . 1 . 1 65 65 LEU HD21 H 1 0.923 0.002 . 2 . . 833 . A 61 LEU HD21 . 30633 1 819 . 1 . 1 65 65 LEU HD22 H 1 0.923 0.002 . 2 . . 833 . A 61 LEU HD22 . 30633 1 820 . 1 . 1 65 65 LEU HD23 H 1 0.923 0.002 . 2 . . 833 . A 61 LEU HD23 . 30633 1 821 . 1 . 1 65 65 LEU C C 13 177.989 0.012 . 1 . . 395 . A 61 LEU C . 30633 1 822 . 1 . 1 65 65 LEU CA C 13 55.706 0.008 . 1 . . 178 . A 61 LEU CA . 30633 1 823 . 1 . 1 65 65 LEU CB C 13 42.020 0.01 . 1 . . 179 . A 61 LEU CB . 30633 1 824 . 1 . 1 65 65 LEU CG C 13 27.009 . . 1 . . 836 . A 61 LEU CG . 30633 1 825 . 1 . 1 65 65 LEU CD1 C 13 23.240 . . 2 . . 831 . A 61 LEU CD1 . 30633 1 826 . 1 . 1 65 65 LEU CD2 C 13 24.812 . . 2 . . 834 . A 61 LEU CD2 . 30633 1 827 . 1 . 1 65 65 LEU N N 15 124.231 0.045 . 1 . . 15 . A 61 LEU N . 30633 1 828 . 1 . 1 66 66 SER H H 1 8.259 0.006 . 1 . . 133 . A 62 SER H . 30633 1 829 . 1 . 1 66 66 SER HA H 1 4.453 0.009 . 1 . . 530 . A 62 SER HA . 30633 1 830 . 1 . 1 66 66 SER HB2 H 1 3.900 0.009 . 2 . . 531 . A 62 SER HB2 . 30633 1 831 . 1 . 1 66 66 SER HB3 H 1 3.959 0.009 . 2 . . 532 . A 62 SER HB3 . 30633 1 832 . 1 . 1 66 66 SER C C 13 175.036 0.001 . 1 . . 390 . A 62 SER C . 30633 1 833 . 1 . 1 66 66 SER CA C 13 58.855 0.001 . 1 . . 404 . A 62 SER CA . 30633 1 834 . 1 . 1 66 66 SER CB C 13 63.634 0.014 . 1 . . 403 . A 62 SER CB . 30633 1 835 . 1 . 1 66 66 SER N N 15 115.992 0.04 . 1 . . 132 . A 62 SER N . 30633 1 836 . 1 . 1 67 67 SER H H 1 8.295 0.003 . 1 . . 119 . A 63 SER H . 30633 1 837 . 1 . 1 67 67 SER HA H 1 4.506 0.01 . 1 . . 527 . A 63 SER HA . 30633 1 838 . 1 . 1 67 67 SER HB2 H 1 3.909 0.01 . 2 . . 528 . A 63 SER HB2 . 30633 1 839 . 1 . 1 67 67 SER HB3 H 1 3.981 0.008 . 2 . . 529 . A 63 SER HB3 . 30633 1 840 . 1 . 1 67 67 SER C C 13 174.949 0.002 . 1 . . 388 . A 63 SER C . 30633 1 841 . 1 . 1 67 67 SER CA C 13 58.757 0.006 . 1 . . 297 . A 63 SER CA . 30633 1 842 . 1 . 1 67 67 SER CB C 13 63.749 0.007 . 1 . . 296 . A 63 SER CB . 30633 1 843 . 1 . 1 67 67 SER N N 15 117.622 0.034 . 1 . . 118 . A 63 SER N . 30633 1 844 . 1 . 1 68 68 SER H H 1 8.325 0.002 . 1 . . 115 . A 64 SER H . 30633 1 845 . 1 . 1 68 68 SER HA H 1 4.483 0.007 . 1 . . 474 . A 64 SER HA . 30633 1 846 . 1 . 1 68 68 SER HB2 H 1 3.879 0.005 . 2 . . 472 . A 64 SER HB2 . 30633 1 847 . 1 . 1 68 68 SER HB3 H 1 3.917 0.01 . 2 . . 473 . A 64 SER HB3 . 30633 1 848 . 1 . 1 68 68 SER C C 13 174.503 0.006 . 1 . . 349 . A 64 SER C . 30633 1 849 . 1 . 1 68 68 SER CA C 13 58.640 0.034 . 1 . . 160 . A 64 SER CA . 30633 1 850 . 1 . 1 68 68 SER CB C 13 63.688 0.007 . 1 . . 159 . A 64 SER CB . 30633 1 851 . 1 . 1 68 68 SER N N 15 117.785 0.034 . 1 . . 114 . A 64 SER N . 30633 1 852 . 1 . 1 69 69 ALA H H 1 8.284 0.004 . 1 . . 6 . A 65 ALA H . 30633 1 853 . 1 . 1 69 69 ALA HA H 1 4.339 0.007 . 1 . . 451 . A 65 ALA HA . 30633 1 854 . 1 . 1 69 69 ALA HB1 H 1 1.422 0.005 . 1 . . 410 . A 65 ALA HB1 . 30633 1 855 . 1 . 1 69 69 ALA HB2 H 1 1.422 0.005 . 1 . . 410 . A 65 ALA HB2 . 30633 1 856 . 1 . 1 69 69 ALA HB3 H 1 1.422 0.005 . 1 . . 410 . A 65 ALA HB3 . 30633 1 857 . 1 . 1 69 69 ALA C C 13 178.342 0.001 . 1 . . 325 . A 65 ALA C . 30633 1 858 . 1 . 1 69 69 ALA CA C 13 52.958 0.017 . 1 . . 161 . A 65 ALA CA . 30633 1 859 . 1 . 1 69 69 ALA CB C 13 19.014 0.068 . 1 . . 162 . A 65 ALA CB . 30633 1 860 . 1 . 1 69 69 ALA N N 15 125.847 0.029 . 1 . . 5 . A 65 ALA N . 30633 1 861 . 1 . 1 70 70 GLY H H 1 8.364 0.003 . 1 . . 149 . A 66 GLY H . 30633 1 862 . 1 . 1 70 70 GLY HA2 H 1 3.955 0.005 . 1 . . 476 . A 66 GLY HA2 . 30633 1 863 . 1 . 1 70 70 GLY HA3 H 1 3.955 0.005 . 1 . . 475 . A 66 GLY HA3 . 30633 1 864 . 1 . 1 70 70 GLY C C 13 174.336 0.004 . 1 . . 326 . A 66 GLY C . 30633 1 865 . 1 . 1 70 70 GLY CA C 13 45.282 0.03 . 1 . . 186 . A 66 GLY CA . 30633 1 866 . 1 . 1 70 70 GLY N N 15 108.112 0.048 . 1 . . 148 . A 66 GLY N . 30633 1 867 . 1 . 1 71 71 ALA H H 1 8.214 0.003 . 1 . . 22 . A 67 ALA H . 30633 1 868 . 1 . 1 71 71 ALA HA H 1 4.281 0.007 . 1 . . 471 . A 67 ALA HA . 30633 1 869 . 1 . 1 71 71 ALA HB1 H 1 1.397 0.007 . 1 . . 419 . A 67 ALA HB1 . 30633 1 870 . 1 . 1 71 71 ALA HB2 H 1 1.397 0.007 . 1 . . 419 . A 67 ALA HB2 . 30633 1 871 . 1 . 1 71 71 ALA HB3 H 1 1.397 0.007 . 1 . . 419 . A 67 ALA HB3 . 30633 1 872 . 1 . 1 71 71 ALA C C 13 177.718 0.007 . 1 . . 332 . A 67 ALA C . 30633 1 873 . 1 . 1 71 71 ALA CA C 13 52.924 0.01 . 1 . . 185 . A 67 ALA CA . 30633 1 874 . 1 . 1 71 71 ALA CB C 13 19.069 0.07 . 1 . . 187 . A 67 ALA CB . 30633 1 875 . 1 . 1 71 71 ALA N N 15 123.756 0.021 . 1 . . 21 . A 67 ALA N . 30633 1 876 . 1 . 1 72 72 ASN H H 1 8.460 0.003 . 1 . . 127 . A 68 ASN H . 30633 1 877 . 1 . 1 72 72 ASN HA H 1 4.741 0.006 . 1 . . 462 . A 68 ASN HA . 30633 1 878 . 1 . 1 72 72 ASN HB2 H 1 2.757 0.002 . 2 . . 525 . A 68 ASN HB2 . 30633 1 879 . 1 . 1 72 72 ASN HB3 H 1 2.860 0.004 . 2 . . 526 . A 68 ASN HB3 . 30633 1 880 . 1 . 1 72 72 ASN HD21 H 1 6.993 0.004 . 1 . . 693 . A 68 ASN HD21 . 30633 1 881 . 1 . 1 72 72 ASN HD22 H 1 7.658 0.003 . 1 . . 694 . A 68 ASN HD22 . 30633 1 882 . 1 . 1 72 72 ASN C C 13 174.875 0.007 . 1 . . 392 . A 68 ASN C . 30633 1 883 . 1 . 1 72 72 ASN CA C 13 52.991 0.04 . 1 . . 302 . A 68 ASN CA . 30633 1 884 . 1 . 1 72 72 ASN CB C 13 38.883 0.07 . 1 . . 303 . A 68 ASN CB . 30633 1 885 . 1 . 1 72 72 ASN CG C 13 177.250 0.016 . 1 . . 695 . A 68 ASN CG . 30633 1 886 . 1 . 1 72 72 ASN N N 15 117.046 0.043 . 1 . . 126 . A 68 ASN N . 30633 1 887 . 1 . 1 72 72 ASN ND2 N 15 113.914 0.037 . 1 . . 692 . A 68 ASN ND2 . 30633 1 888 . 1 . 1 73 73 SER H H 1 8.104 0.004 . 1 . . 125 . A 69 SER H . 30633 1 889 . 1 . 1 73 73 SER HA H 1 4.732 0.002 . 1 . . 522 . A 69 SER HA . 30633 1 890 . 1 . 1 73 73 SER HB2 H 1 3.860 0.006 . 1 . . 523 . A 69 SER HB2 . 30633 1 891 . 1 . 1 73 73 SER HB3 H 1 3.860 0.006 . 1 . . 524 . A 69 SER HB3 . 30633 1 892 . 1 . 1 73 73 SER C C 13 172.689 . . 1 . . 424 . A 69 SER C . 30633 1 893 . 1 . 1 73 73 SER CA C 13 56.561 0.05 . 1 . . 301 . A 69 SER CA . 30633 1 894 . 1 . 1 73 73 SER CB C 13 63.300 0.025 . 1 . . 300 . A 69 SER CB . 30633 1 895 . 1 . 1 73 73 SER N N 15 117.202 0.048 . 1 . . 124 . A 69 SER N . 30633 1 896 . 1 . 1 74 74 PRO HA H 1 4.448 0.006 . 1 . . 517 . A 70 PRO HA . 30633 1 897 . 1 . 1 74 74 PRO HB2 H 1 1.891 0.008 . 2 . . 520 . A 70 PRO HB2 . 30633 1 898 . 1 . 1 74 74 PRO HB3 H 1 2.305 0.008 . 2 . . 521 . A 70 PRO HB3 . 30633 1 899 . 1 . 1 74 74 PRO HG2 H 1 2.012 0.003 . 1 . . 820 . A 70 PRO HG2 . 30633 1 900 . 1 . 1 74 74 PRO HG3 H 1 2.012 0.003 . 1 . . 821 . A 70 PRO HG3 . 30633 1 901 . 1 . 1 74 74 PRO HD2 H 1 3.719 0.002 . 2 . . 822 . A 70 PRO HD2 . 30633 1 902 . 1 . 1 74 74 PRO HD3 H 1 3.831 0.005 . 2 . . 824 . A 70 PRO HD3 . 30633 1 903 . 1 . 1 74 74 PRO C C 13 176.893 0.005 . 1 . . 371 . A 70 PRO C . 30633 1 904 . 1 . 1 74 74 PRO CA C 13 63.315 0.03 . 1 . . 401 . A 70 PRO CA . 30633 1 905 . 1 . 1 74 74 PRO CB C 13 32.055 0.011 . 1 . . 252 . A 70 PRO CB . 30633 1 906 . 1 . 1 74 74 PRO CG C 13 27.220 . . 1 . . 1010 . A 70 PRO CG . 30633 1 907 . 1 . 1 74 74 PRO CD C 13 50.709 0.067 . 1 . . 823 . A 70 PRO CD . 30633 1 908 . 1 . 1 75 75 ARG H H 1 8.488 0.006 . 1 . . 67 . A 71 ARG H . 30633 1 909 . 1 . 1 75 75 ARG HA H 1 4.306 0.006 . 1 . . 513 . A 71 ARG HA . 30633 1 910 . 1 . 1 75 75 ARG HB2 H 1 1.778 0.008 . 2 . . 514 . A 71 ARG HB2 . 30633 1 911 . 1 . 1 75 75 ARG HB3 H 1 1.859 0.012 . 2 . . 515 . A 71 ARG HB3 . 30633 1 912 . 1 . 1 75 75 ARG HG2 H 1 1.655 0.001 . 1 . . 817 . A 71 ARG HG2 . 30633 1 913 . 1 . 1 75 75 ARG HG3 H 1 1.655 0.001 . 1 . . 816 . A 71 ARG HG3 . 30633 1 914 . 1 . 1 75 75 ARG HD2 H 1 3.202 0.002 . 1 . . 815 . A 71 ARG HD2 . 30633 1 915 . 1 . 1 75 75 ARG HD3 H 1 3.202 0.002 . 1 . . 814 . A 71 ARG HD3 . 30633 1 916 . 1 . 1 75 75 ARG C C 13 176.492 0.003 . 1 . . 331 . A 71 ARG C . 30633 1 917 . 1 . 1 75 75 ARG CA C 13 56.084 0.033 . 1 . . 254 . A 71 ARG CA . 30633 1 918 . 1 . 1 75 75 ARG CB C 13 30.606 0.002 . 1 . . 253 . A 71 ARG CB . 30633 1 919 . 1 . 1 75 75 ARG CG C 13 26.874 . . 1 . . 818 . A 71 ARG CG . 30633 1 920 . 1 . 1 75 75 ARG CD C 13 43.150 . . 1 . . 819 . A 71 ARG CD . 30633 1 921 . 1 . 1 75 75 ARG N N 15 121.572 0.042 . 1 . . 1019 . A 71 ARG N . 30633 1 922 . 1 . 1 76 76 ARG H H 1 8.511 0.007 . 1 . . 32 . A 72 ARG H . 30633 1 923 . 1 . 1 76 76 ARG HA H 1 4.338 0.006 . 1 . . 510 . A 72 ARG HA . 30633 1 924 . 1 . 1 76 76 ARG HB2 H 1 1.797 0.014 . 2 . . 511 . A 72 ARG HB2 . 30633 1 925 . 1 . 1 76 76 ARG HB3 H 1 1.864 0.014 . 2 . . 512 . A 72 ARG HB3 . 30633 1 926 . 1 . 1 76 76 ARG HG2 H 1 1.674 0.002 . 1 . . 810 . A 72 ARG HG2 . 30633 1 927 . 1 . 1 76 76 ARG HG3 H 1 1.674 0.002 . 1 . . 811 . A 72 ARG HG3 . 30633 1 928 . 1 . 1 76 76 ARG HD2 H 1 3.203 0.002 . 1 . . 808 . A 72 ARG HD2 . 30633 1 929 . 1 . 1 76 76 ARG HD3 H 1 3.203 0.002 . 1 . . 809 . A 72 ARG HD3 . 30633 1 930 . 1 . 1 76 76 ARG C C 13 176.819 0.01 . 1 . . 329 . A 72 ARG C . 30633 1 931 . 1 . 1 76 76 ARG CA C 13 56.336 0.019 . 1 . . 200 . A 72 ARG CA . 30633 1 932 . 1 . 1 76 76 ARG CB C 13 30.760 0.007 . 1 . . 201 . A 72 ARG CB . 30633 1 933 . 1 . 1 76 76 ARG CG C 13 26.985 . . 1 . . 813 . A 72 ARG CG . 30633 1 934 . 1 . 1 76 76 ARG CD C 13 43.153 . . 1 . . 812 . A 72 ARG CD . 30633 1 935 . 1 . 1 76 76 ARG N N 15 123.157 0.051 . 1 . . 31 . A 72 ARG N . 30633 1 936 . 1 . 1 77 77 GLY H H 1 8.571 0.004 . 1 . . 147 . A 73 GLY H . 30633 1 937 . 1 . 1 77 77 GLY HA2 H 1 4.004 0.006 . 1 . . 508 . A 73 GLY HA2 . 30633 1 938 . 1 . 1 77 77 GLY HA3 H 1 4.004 0.006 . 1 . . 509 . A 73 GLY HA3 . 30633 1 939 . 1 . 1 77 77 GLY C C 13 174.013 0.006 . 1 . . 330 . A 73 GLY C . 30633 1 940 . 1 . 1 77 77 GLY CA C 13 45.088 0.045 . 1 . . 310 . A 73 GLY CA . 30633 1 941 . 1 . 1 77 77 GLY N N 15 110.708 0.057 . 1 . . 146 . A 73 GLY N . 30633 1 942 . 1 . 1 78 78 SER H H 1 8.299 0.004 . 1 . . 141 . A 74 SER H . 30633 1 943 . 1 . 1 78 78 SER HA H 1 4.457 0.007 . 1 . . 507 . A 74 SER HA . 30633 1 944 . 1 . 1 78 78 SER HB2 H 1 3.855 0.006 . 1 . . 506 . A 74 SER HB2 . 30633 1 945 . 1 . 1 78 78 SER HB3 H 1 3.855 0.006 . 1 . . 505 . A 74 SER HB3 . 30633 1 946 . 1 . 1 78 78 SER C C 13 174.222 0.016 . 1 . . 355 . A 74 SER C . 30633 1 947 . 1 . 1 78 78 SER CA C 13 58.343 0.028 . 1 . . 309 . A 74 SER CA . 30633 1 948 . 1 . 1 78 78 SER CB C 13 63.961 0.024 . 1 . . 313 . A 74 SER CB . 30633 1 949 . 1 . 1 78 78 SER N N 15 115.813 0.036 . 1 . . 140 . A 74 SER N . 30633 1 950 . 1 . 1 79 79 ARG H H 1 8.473 0.004 . 1 . . 20 . A 75 ARG H . 30633 1 951 . 1 . 1 79 79 ARG HA H 1 4.666 0.001 . 1 . . 504 . A 75 ARG HA . 30633 1 952 . 1 . 1 79 79 ARG HB2 H 1 1.759 0.013 . 2 . . 1005 . A 75 ARG HB2 . 30633 1 953 . 1 . 1 79 79 ARG HB3 H 1 1.862 0.007 . 2 . . 1006 . A 75 ARG HB3 . 30633 1 954 . 1 . 1 79 79 ARG HG2 H 1 1.694 . . 1 . . 1008 . A 75 ARG HG2 . 30633 1 955 . 1 . 1 79 79 ARG HG3 H 1 1.694 . . 1 . . 1009 . A 75 ARG HG3 . 30633 1 956 . 1 . 1 79 79 ARG HD2 H 1 3.219 . . 1 . . 1004 . A 75 ARG HD2 . 30633 1 957 . 1 . 1 79 79 ARG HD3 H 1 3.219 . . 1 . . 1002 . A 75 ARG HD3 . 30633 1 958 . 1 . 1 79 79 ARG C C 13 174.327 . . 1 . . 423 . A 75 ARG C . 30633 1 959 . 1 . 1 79 79 ARG CA C 13 54.027 0.019 . 1 . . 183 . A 75 ARG CA . 30633 1 960 . 1 . 1 79 79 ARG CB C 13 30.241 0.085 . 1 . . 184 . A 75 ARG CB . 30633 1 961 . 1 . 1 79 79 ARG CG C 13 27.016 . . 1 . . 1007 . A 75 ARG CG . 30633 1 962 . 1 . 1 79 79 ARG CD C 13 43.114 . . 1 . . 1003 . A 75 ARG CD . 30633 1 963 . 1 . 1 79 79 ARG N N 15 123.741 0.025 . 1 . . 19 . A 75 ARG N . 30633 1 964 . 1 . 1 80 80 PRO HA H 1 4.422 0.006 . 1 . . 501 . A 76 PRO HA . 30633 1 965 . 1 . 1 80 80 PRO HB2 H 1 1.921 0.007 . 2 . . 502 . A 76 PRO HB2 . 30633 1 966 . 1 . 1 80 80 PRO HB3 H 1 2.313 0.007 . 2 . . 503 . A 76 PRO HB3 . 30633 1 967 . 1 . 1 80 80 PRO HG2 H 1 2.010 0.01 . 1 . . 783 . A 76 PRO HG2 . 30633 1 968 . 1 . 1 80 80 PRO HG3 H 1 2.010 0.01 . 1 . . 782 . A 76 PRO HG3 . 30633 1 969 . 1 . 1 80 80 PRO HD2 H 1 3.822 0.004 . 2 . . 779 . A 76 PRO HD2 . 30633 1 970 . 1 . 1 80 80 PRO HD3 H 1 3.642 0.001 . 2 . . 780 . A 76 PRO HD3 . 30633 1 971 . 1 . 1 80 80 PRO C C 13 176.682 0.005 . 1 . . 385 . A 76 PRO C . 30633 1 972 . 1 . 1 80 80 PRO CA C 13 63.267 0.024 . 1 . . 283 . A 76 PRO CA . 30633 1 973 . 1 . 1 80 80 PRO CB C 13 32.050 0.01 . 1 . . 286 . A 76 PRO CB . 30633 1 974 . 1 . 1 80 80 PRO CG C 13 27.213 . . 1 . . 784 . A 76 PRO CG . 30633 1 975 . 1 . 1 80 80 PRO CD C 13 50.445 0.036 . 1 . . 781 . A 76 PRO CD . 30633 1 976 . 1 . 1 81 81 ASN H H 1 8.658 0.005 . 1 . . 109 . A 77 ASN H . 30633 1 977 . 1 . 1 81 81 ASN HA H 1 4.664 0.005 . 1 . . 498 . A 77 ASN HA . 30633 1 978 . 1 . 1 81 81 ASN HB2 H 1 2.851 0.008 . 2 . . 499 . A 77 ASN HB2 . 30633 1 979 . 1 . 1 81 81 ASN HB3 H 1 2.804 0.008 . 2 . . 500 . A 77 ASN HB3 . 30633 1 980 . 1 . 1 81 81 ASN HD21 H 1 7.692 0.002 . 1 . . 697 . A 77 ASN HD21 . 30633 1 981 . 1 . 1 81 81 ASN HD22 H 1 6.996 0.003 . 1 . . 701 . A 77 ASN HD22 . 30633 1 982 . 1 . 1 81 81 ASN C C 13 175.231 0.001 . 1 . . 344 . A 77 ASN C . 30633 1 983 . 1 . 1 81 81 ASN CA C 13 53.479 0.025 . 1 . . 284 . A 77 ASN CA . 30633 1 984 . 1 . 1 81 81 ASN CB C 13 38.563 0.069 . 1 . . 285 . A 77 ASN CB . 30633 1 985 . 1 . 1 81 81 ASN CG C 13 177.032 . . 1 . . 703 . A 77 ASN CG . 30633 1 986 . 1 . 1 81 81 ASN N N 15 118.897 0.042 . 1 . . 108 . A 77 ASN N . 30633 1 987 . 1 . 1 81 81 ASN ND2 N 15 113.826 0.015 . 1 . . 696 . A 77 ASN ND2 . 30633 1 988 . 1 . 1 82 82 SER H H 1 8.254 0.004 . 1 . . 137 . A 78 SER H . 30633 1 989 . 1 . 1 82 82 SER HA H 1 4.464 0.007 . 1 . . 497 . A 78 SER HA . 30633 1 990 . 1 . 1 82 82 SER HB2 H 1 3.857 0.007 . 1 . . 496 . A 78 SER HB2 . 30633 1 991 . 1 . 1 82 82 SER HB3 H 1 3.857 0.007 . 1 . . 495 . A 78 SER HB3 . 30633 1 992 . 1 . 1 82 82 SER C C 13 174.283 0.001 . 1 . . 343 . A 78 SER C . 30633 1 993 . 1 . 1 82 82 SER CA C 13 58.393 0.058 . 1 . . 237 . A 78 SER CA . 30633 1 994 . 1 . 1 82 82 SER CB C 13 63.846 0.029 . 1 . . 236 . A 78 SER CB . 30633 1 995 . 1 . 1 82 82 SER N N 15 115.987 0.031 . 1 . . 136 . A 78 SER N . 30633 1 996 . 1 . 1 83 83 VAL H H 1 8.228 0.004 . 1 . . 52 . A 79 VAL H . 30633 1 997 . 1 . 1 83 83 VAL HA H 1 4.150 0.01 . 1 . . 494 . A 79 VAL HA . 30633 1 998 . 1 . 1 83 83 VAL HB H 1 2.081 0.013 . 1 . . 493 . A 79 VAL HB . 30633 1 999 . 1 . 1 83 83 VAL HG11 H 1 0.915 0.009 . 2 . . 688 . A 79 VAL HG11 . 30633 1 1000 . 1 . 1 83 83 VAL HG12 H 1 0.915 0.009 . 2 . . 688 . A 79 VAL HG12 . 30633 1 1001 . 1 . 1 83 83 VAL HG13 H 1 0.915 0.009 . 2 . . 688 . A 79 VAL HG13 . 30633 1 1002 . 1 . 1 83 83 VAL HG21 H 1 0.928 0.008 . 2 . . 690 . A 79 VAL HG21 . 30633 1 1003 . 1 . 1 83 83 VAL HG22 H 1 0.928 0.008 . 2 . . 690 . A 79 VAL HG22 . 30633 1 1004 . 1 . 1 83 83 VAL HG23 H 1 0.928 0.008 . 2 . . 690 . A 79 VAL HG23 . 30633 1 1005 . 1 . 1 83 83 VAL C C 13 176.131 0.0 . 1 . . 342 . A 79 VAL C . 30633 1 1006 . 1 . 1 83 83 VAL CA C 13 62.404 0.027 . 1 . . 167 . A 79 VAL CA . 30633 1 1007 . 1 . 1 83 83 VAL CB C 13 32.589 0.033 . 1 . . 170 . A 79 VAL CB . 30633 1 1008 . 1 . 1 83 83 VAL CG1 C 13 21.119 0.017 . 2 . . 689 . A 79 VAL CG1 . 30633 1 1009 . 1 . 1 83 83 VAL CG2 C 13 20.284 0.017 . 2 . . 691 . A 79 VAL CG2 . 30633 1 1010 . 1 . 1 83 83 VAL N N 15 122.040 0.03 . 1 . . 51 . A 79 VAL N . 30633 1 1011 . 1 . 1 84 84 ILE H H 1 8.287 0.006 . 1 . . 10 . A 80 ILE H . 30633 1 1012 . 1 . 1 84 84 ILE HA H 1 4.217 0.007 . 1 . . 491 . A 80 ILE HA . 30633 1 1013 . 1 . 1 84 84 ILE HB H 1 1.868 0.006 . 1 . . 492 . A 80 ILE HB . 30633 1 1014 . 1 . 1 84 84 ILE HG12 H 1 1.190 0.002 . 2 . . 803 . A 80 ILE HG12 . 30633 1 1015 . 1 . 1 84 84 ILE HG13 H 1 1.484 0.002 . 2 . . 804 . A 80 ILE HG13 . 30633 1 1016 . 1 . 1 84 84 ILE HG21 H 1 0.914 0.006 . 1 . . 753 . A 80 ILE HG21 . 30633 1 1017 . 1 . 1 84 84 ILE HG22 H 1 0.914 0.006 . 1 . . 753 . A 80 ILE HG22 . 30633 1 1018 . 1 . 1 84 84 ILE HG23 H 1 0.914 0.006 . 1 . . 753 . A 80 ILE HG23 . 30633 1 1019 . 1 . 1 84 84 ILE HD11 H 1 0.852 0.005 . 1 . . 751 . A 80 ILE HD11 . 30633 1 1020 . 1 . 1 84 84 ILE HD12 H 1 0.852 0.005 . 1 . . 751 . A 80 ILE HD12 . 30633 1 1021 . 1 . 1 84 84 ILE HD13 H 1 0.852 0.005 . 1 . . 751 . A 80 ILE HD13 . 30633 1 1022 . 1 . 1 84 84 ILE C C 13 176.308 0.004 . 1 . . 341 . A 80 ILE C . 30633 1 1023 . 1 . 1 84 84 ILE CA C 13 60.965 0.032 . 1 . . 168 . A 80 ILE CA . 30633 1 1024 . 1 . 1 84 84 ILE CB C 13 38.565 0.008 . 1 . . 169 . A 80 ILE CB . 30633 1 1025 . 1 . 1 84 84 ILE CG1 C 13 27.237 0.024 . 1 . . 805 . A 80 ILE CG1 . 30633 1 1026 . 1 . 1 84 84 ILE CG2 C 13 17.267 0.026 . 1 . . 752 . A 80 ILE CG2 . 30633 1 1027 . 1 . 1 84 84 ILE CD1 C 13 12.828 0.063 . 1 . . 750 . A 80 ILE CD1 . 30633 1 1028 . 1 . 1 84 84 ILE N N 15 124.844 0.041 . 1 . . 9 . A 80 ILE N . 30633 1 1029 . 1 . 1 85 85 SER H H 1 8.532 0.006 . 1 . . 85 . A 81 SER H . 30633 1 1030 . 1 . 1 85 85 SER HA H 1 4.573 0.006 . 1 . . 488 . A 81 SER HA . 30633 1 1031 . 1 . 1 85 85 SER HB2 H 1 3.886 0.009 . 1 . . 490 . A 81 SER HB2 . 30633 1 1032 . 1 . 1 85 85 SER HB3 H 1 3.886 0.009 . 1 . . 489 . A 81 SER HB3 . 30633 1 1033 . 1 . 1 85 85 SER C C 13 174.853 0.011 . 1 . . 340 . A 81 SER C . 30633 1 1034 . 1 . 1 85 85 SER CA C 13 58.123 0.028 . 1 . . 270 . A 81 SER CA . 30633 1 1035 . 1 . 1 85 85 SER CB C 13 63.830 0.01 . 1 . . 269 . A 81 SER CB . 30633 1 1036 . 1 . 1 85 85 SER N N 15 120.684 0.058 . 1 . . 84 . A 81 SER N . 30633 1 1037 . 1 . 1 86 86 THR H H 1 8.326 0.004 . 1 . . 139 . A 82 THR H . 30633 1 1038 . 1 . 1 86 86 THR HA H 1 4.371 0.012 . 1 . . 486 . A 82 THR HA . 30633 1 1039 . 1 . 1 86 86 THR HB H 1 4.331 0.012 . 1 . . 487 . A 82 THR HB . 30633 1 1040 . 1 . 1 86 86 THR HG21 H 1 1.226 0.004 . 1 . . 767 . A 82 THR HG21 . 30633 1 1041 . 1 . 1 86 86 THR HG22 H 1 1.226 0.004 . 1 . . 767 . A 82 THR HG22 . 30633 1 1042 . 1 . 1 86 86 THR HG23 H 1 1.226 0.004 . 1 . . 767 . A 82 THR HG23 . 30633 1 1043 . 1 . 1 86 86 THR C C 13 175.266 0.003 . 1 . . 328 . A 82 THR C . 30633 1 1044 . 1 . 1 86 86 THR CA C 13 62.044 0.054 . 1 . . 311 . A 82 THR CA . 30633 1 1045 . 1 . 1 86 86 THR CB C 13 69.588 0.052 . 1 . . 312 . A 82 THR CB . 30633 1 1046 . 1 . 1 86 86 THR CG2 C 13 21.402 0.048 . 1 . . 766 . A 82 THR CG2 . 30633 1 1047 . 1 . 1 86 86 THR N N 15 115.781 0.028 . 1 . . 138 . A 82 THR N . 30633 1 1048 . 1 . 1 87 87 GLY H H 1 8.444 0.002 . 1 . . 145 . A 83 GLY H . 30633 1 1049 . 1 . 1 87 87 GLY HA2 H 1 3.935 0.014 . 2 . . 484 . A 83 GLY HA2 . 30633 1 1050 . 1 . 1 87 87 GLY HA3 H 1 4.021 0.007 . 2 . . 485 . A 83 GLY HA3 . 30633 1 1051 . 1 . 1 87 87 GLY C C 13 174.039 0.0 . 1 . . 327 . A 83 GLY C . 30633 1 1052 . 1 . 1 87 87 GLY CA C 13 45.273 0.025 . 1 . . 271 . A 83 GLY CA . 30633 1 1053 . 1 . 1 87 87 GLY N N 15 111.023 0.034 . 1 . . 144 . A 83 GLY N . 30633 1 1054 . 1 . 1 88 88 GLU H H 1 8.286 0.002 . 1 . . 87 . A 84 GLU H . 30633 1 1055 . 1 . 1 88 88 GLU HA H 1 4.286 0.006 . 1 . . 481 . A 84 GLU HA . 30633 1 1056 . 1 . 1 88 88 GLU HB2 H 1 1.921 0.009 . 2 . . 482 . A 84 GLU HB2 . 30633 1 1057 . 1 . 1 88 88 GLU HB3 H 1 2.048 0.008 . 2 . . 483 . A 84 GLU HB3 . 30633 1 1058 . 1 . 1 88 88 GLU HG2 H 1 2.252 0.003 . 1 . . 800 . A 84 GLU HG2 . 30633 1 1059 . 1 . 1 88 88 GLU HG3 H 1 2.252 0.003 . 1 . . 802 . A 84 GLU HG3 . 30633 1 1060 . 1 . 1 88 88 GLU C C 13 176.412 0.002 . 1 . . 345 . A 84 GLU C . 30633 1 1061 . 1 . 1 88 88 GLU CA C 13 56.446 0.02 . 1 . . 192 . A 84 GLU CA . 30633 1 1062 . 1 . 1 88 88 GLU CB C 13 30.345 0.006 . 1 . . 195 . A 84 GLU CB . 30633 1 1063 . 1 . 1 88 88 GLU CG C 13 36.147 . . 1 . . 801 . A 84 GLU CG . 30633 1 1064 . 1 . 1 88 88 GLU N N 15 120.677 0.024 . 1 . . 86 . A 84 GLU N . 30633 1 1065 . 1 . 1 89 89 LEU H H 1 8.409 0.006 . 1 . . 28 . A 85 LEU H . 30633 1 1066 . 1 . 1 89 89 LEU HA H 1 4.414 0.006 . 1 . . 459 . A 85 LEU HA . 30633 1 1067 . 1 . 1 89 89 LEU HB2 H 1 1.668 0.007 . 2 . . 460 . A 85 LEU HB2 . 30633 1 1068 . 1 . 1 89 89 LEU HB3 H 1 1.607 0.008 . 2 . . 461 . A 85 LEU HB3 . 30633 1 1069 . 1 . 1 89 89 LEU HG H 1 1.606 0.0 . 1 . . 798 . A 85 LEU HG . 30633 1 1070 . 1 . 1 89 89 LEU HD11 H 1 0.866 0.003 . 2 . . 794 . A 85 LEU HD11 . 30633 1 1071 . 1 . 1 89 89 LEU HD12 H 1 0.866 0.003 . 2 . . 794 . A 85 LEU HD12 . 30633 1 1072 . 1 . 1 89 89 LEU HD13 H 1 0.866 0.003 . 2 . . 794 . A 85 LEU HD13 . 30633 1 1073 . 1 . 1 89 89 LEU HD21 H 1 0.928 0.007 . 2 . . 795 . A 85 LEU HD21 . 30633 1 1074 . 1 . 1 89 89 LEU HD22 H 1 0.928 0.007 . 2 . . 795 . A 85 LEU HD22 . 30633 1 1075 . 1 . 1 89 89 LEU HD23 H 1 0.928 0.007 . 2 . . 795 . A 85 LEU HD23 . 30633 1 1076 . 1 . 1 89 89 LEU C C 13 177.369 0.002 . 1 . . 346 . A 85 LEU C . 30633 1 1077 . 1 . 1 89 89 LEU CA C 13 54.925 0.023 . 1 . . 193 . A 85 LEU CA . 30633 1 1078 . 1 . 1 89 89 LEU CB C 13 42.448 0.003 . 1 . . 194 . A 85 LEU CB . 30633 1 1079 . 1 . 1 89 89 LEU CG C 13 26.967 . . 1 . . 799 . A 85 LEU CG . 30633 1 1080 . 1 . 1 89 89 LEU CD1 C 13 23.317 0.018 . 2 . . 796 . A 85 LEU CD1 . 30633 1 1081 . 1 . 1 89 89 LEU CD2 C 13 24.855 . . 2 . . 797 . A 85 LEU CD2 . 30633 1 1082 . 1 . 1 89 89 LEU N N 15 123.257 0.025 . 1 . . 27 . A 85 LEU N . 30633 1 1083 . 1 . 1 90 90 SER H H 1 8.448 0.006 . 1 . . 121 . A 86 SER H . 30633 1 1084 . 1 . 1 90 90 SER HA H 1 4.552 0.007 . 1 . . 455 . A 86 SER HA . 30633 1 1085 . 1 . 1 90 90 SER HB2 H 1 3.892 0.007 . 1 . . 457 . A 86 SER HB2 . 30633 1 1086 . 1 . 1 90 90 SER HB3 H 1 3.892 0.007 . 1 . . 456 . A 86 SER HB3 . 30633 1 1087 . 1 . 1 90 90 SER C C 13 174.808 0.01 . 1 . . 398 . A 86 SER C . 30633 1 1088 . 1 . 1 90 90 SER CA C 13 58.158 0.03 . 1 . . 299 . A 86 SER CA . 30633 1 1089 . 1 . 1 90 90 SER CB C 13 63.842 0.008 . 1 . . 298 . A 86 SER CB . 30633 1 1090 . 1 . 1 90 90 SER N N 15 117.404 0.06 . 1 . . 120 . A 86 SER N . 30633 1 1091 . 1 . 1 91 91 THR H H 1 8.339 0.003 . 1 . . 143 . A 87 THR H . 30633 1 1092 . 1 . 1 91 91 THR HA H 1 4.421 0.01 . 1 . . 458 . A 87 THR HA . 30633 1 1093 . 1 . 1 91 91 THR HB H 1 4.376 0.014 . 1 . . 422 . A 87 THR HB . 30633 1 1094 . 1 . 1 91 91 THR HG21 H 1 1.188 0.003 . 1 . . 765 . A 87 THR HG21 . 30633 1 1095 . 1 . 1 91 91 THR HG22 H 1 1.188 0.003 . 1 . . 765 . A 87 THR HG22 . 30633 1 1096 . 1 . 1 91 91 THR HG23 H 1 1.188 0.003 . 1 . . 765 . A 87 THR HG23 . 30633 1 1097 . 1 . 1 91 91 THR C C 13 173.656 0.013 . 1 . . 317 . A 87 THR C . 30633 1 1098 . 1 . 1 91 91 THR CA C 13 61.401 0.06 . 1 . . 156 . A 87 THR CA . 30633 1 1099 . 1 . 1 91 91 THR CB C 13 69.726 0.019 . 1 . . 408 . A 87 THR CB . 30633 1 1100 . 1 . 1 91 91 THR CG2 C 13 21.203 0.036 . 1 . . 764 . A 87 THR CG2 . 30633 1 1101 . 1 . 1 91 91 THR N N 15 115.646 0.048 . 1 . . 142 . A 87 THR N . 30633 1 1102 . 1 . 1 92 92 ASP H H 1 8.017 0.002 . 1 . . 3 . A 88 ASP H . 30633 1 1103 . 1 . 1 92 92 ASP HA H 1 4.408 0.007 . 1 . . 454 . A 88 ASP HA . 30633 1 1104 . 1 . 1 92 92 ASP HB2 H 1 2.549 0.003 . 2 . . 555 . A 88 ASP HB2 . 30633 1 1105 . 1 . 1 92 92 ASP HB3 H 1 2.694 0.01 . 2 . . 556 . A 88 ASP HB3 . 30633 1 1106 . 1 . 1 92 92 ASP C C 13 180.895 . . 1 . . 316 . A 88 ASP C . 30633 1 1107 . 1 . 1 92 92 ASP CA C 13 56.049 0.03 . 1 . . 157 . A 88 ASP CA . 30633 1 1108 . 1 . 1 92 92 ASP CB C 13 41.965 0.046 . 1 . . 158 . A 88 ASP CB . 30633 1 1109 . 1 . 1 92 92 ASP N N 15 127.854 0.025 . 1 . . 4 . A 88 ASP N . 30633 1 stop_ save_