data_5187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5187 _Entry.Title ; Assignments of the 1H, 13C, and 15N resonances of TraR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-10-22 _Entry.Accession_date 2001-10-22 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takeshi Tanaka . . . 5187 2 Mariko Sugai . . . 5187 3 Kuniko Kobayashi . . . 5187 4 Masakazu Kataoka . . . 5187 5 Toshiyuki Kohno . . . 5187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 5187 '15N chemical shifts' 92 5187 '1H chemical shifts' 581 5187 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 . . 2002-08-22 2001-10-22 original author . 5187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V4R 'BMRB Entry Tracking System' 5187 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5187 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22147549 _Citation.DOI . _Citation.PubMed_ID 12153045 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Complete 1H, 13C, and 15N assignments of the N-terminal DNA binding domain of the TraR protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 161 _Citation.Page_last 162 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takeshi Tanaka . . . 5187 1 2 Mariko Sugai . . . 5187 1 3 Kuniko Kobayashi . . . 5187 1 4 Masakazu Kataoka . . . 5187 1 5 Toshiyuki Kohno . . . 5187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TraR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TraR _Assembly.Entry_ID 5187 _Assembly.ID 1 _Assembly.Name 'TraR monomer' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5187 1 stop_ 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 TraR 1 $TraR . . . native . . . . . 5187 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TraR abbreviation 5187 1 'TraR monomer' system 5187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TraR _Entity.Sf_category entity _Entity.Sf_framecode TraR _Entity.Entry_ID 5187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Streptmycal repressor' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPMPYKAPEGKGYADVATHF RTLIKSGELAPGDTLPSVAD IRAQFGVAAKTVSRALAVLK SEGLVSSRGALGTVVEKNPI VITGADRLKRMEKNGMRYAP GE ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10710 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N terminal 100 residues of full length TraR protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V4R . "Solution Structure Of Streptmycal Repressor Trar" . . . . . 100.00 102 100.00 100.00 1.99e-65 . . . . 5187 1 2 no DBJ BAK57424 . "traR [Streptomyces flavovirens]" . . . . . 98.04 246 100.00 100.00 3.46e-62 . . . . 5187 1 3 no REF WP_010889977 . "hypothetical protein [Streptomyces flavovirens]" . . . . . 98.04 246 100.00 100.00 3.46e-62 . . . . 5187 1 4 no REF YP_004797669 . "traR [Streptomyces flavovirens]" . . . . . 98.04 246 100.00 100.00 3.46e-62 . . . . 5187 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Streptmycal repressor' common 5187 1 TraR abbreviation 5187 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5187 1 2 . PRO . 5187 1 3 . MET . 5187 1 4 . PRO . 5187 1 5 . TYR . 5187 1 6 . LYS . 5187 1 7 . ALA . 5187 1 8 . PRO . 5187 1 9 . GLU . 5187 1 10 . GLY . 5187 1 11 . LYS . 5187 1 12 . GLY . 5187 1 13 . TYR . 5187 1 14 . ALA . 5187 1 15 . ASP . 5187 1 16 . VAL . 5187 1 17 . ALA . 5187 1 18 . THR . 5187 1 19 . HIS . 5187 1 20 . PHE . 5187 1 21 . ARG . 5187 1 22 . THR . 5187 1 23 . LEU . 5187 1 24 . ILE . 5187 1 25 . LYS . 5187 1 26 . SER . 5187 1 27 . GLY . 5187 1 28 . GLU . 5187 1 29 . LEU . 5187 1 30 . ALA . 5187 1 31 . PRO . 5187 1 32 . GLY . 5187 1 33 . ASP . 5187 1 34 . THR . 5187 1 35 . LEU . 5187 1 36 . PRO . 5187 1 37 . SER . 5187 1 38 . VAL . 5187 1 39 . ALA . 5187 1 40 . ASP . 5187 1 41 . ILE . 5187 1 42 . ARG . 5187 1 43 . ALA . 5187 1 44 . GLN . 5187 1 45 . PHE . 5187 1 46 . GLY . 5187 1 47 . VAL . 5187 1 48 . ALA . 5187 1 49 . ALA . 5187 1 50 . LYS . 5187 1 51 . THR . 5187 1 52 . VAL . 5187 1 53 . SER . 5187 1 54 . ARG . 5187 1 55 . ALA . 5187 1 56 . LEU . 5187 1 57 . ALA . 5187 1 58 . VAL . 5187 1 59 . LEU . 5187 1 60 . LYS . 5187 1 61 . SER . 5187 1 62 . GLU . 5187 1 63 . GLY . 5187 1 64 . LEU . 5187 1 65 . VAL . 5187 1 66 . SER . 5187 1 67 . SER . 5187 1 68 . ARG . 5187 1 69 . GLY . 5187 1 70 . ALA . 5187 1 71 . LEU . 5187 1 72 . GLY . 5187 1 73 . THR . 5187 1 74 . VAL . 5187 1 75 . VAL . 5187 1 76 . GLU . 5187 1 77 . LYS . 5187 1 78 . ASN . 5187 1 79 . PRO . 5187 1 80 . ILE . 5187 1 81 . VAL . 5187 1 82 . ILE . 5187 1 83 . THR . 5187 1 84 . GLY . 5187 1 85 . ALA . 5187 1 86 . ASP . 5187 1 87 . ARG . 5187 1 88 . LEU . 5187 1 89 . LYS . 5187 1 90 . ARG . 5187 1 91 . MET . 5187 1 92 . GLU . 5187 1 93 . LYS . 5187 1 94 . ASN . 5187 1 95 . GLY . 5187 1 96 . MET . 5187 1 97 . ARG . 5187 1 98 . TYR . 5187 1 99 . ALA . 5187 1 100 . PRO . 5187 1 101 . GLY . 5187 1 102 . GLU . 5187 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 5187 1 . PRO 2 2 5187 1 . MET 3 3 5187 1 . PRO 4 4 5187 1 . TYR 5 5 5187 1 . LYS 6 6 5187 1 . ALA 7 7 5187 1 . PRO 8 8 5187 1 . GLU 9 9 5187 1 . GLY 10 10 5187 1 . LYS 11 11 5187 1 . GLY 12 12 5187 1 . TYR 13 13 5187 1 . ALA 14 14 5187 1 . ASP 15 15 5187 1 . VAL 16 16 5187 1 . ALA 17 17 5187 1 . THR 18 18 5187 1 . HIS 19 19 5187 1 . PHE 20 20 5187 1 . ARG 21 21 5187 1 . THR 22 22 5187 1 . LEU 23 23 5187 1 . ILE 24 24 5187 1 . LYS 25 25 5187 1 . SER 26 26 5187 1 . GLY 27 27 5187 1 . GLU 28 28 5187 1 . LEU 29 29 5187 1 . ALA 30 30 5187 1 . PRO 31 31 5187 1 . GLY 32 32 5187 1 . ASP 33 33 5187 1 . THR 34 34 5187 1 . LEU 35 35 5187 1 . PRO 36 36 5187 1 . SER 37 37 5187 1 . VAL 38 38 5187 1 . ALA 39 39 5187 1 . ASP 40 40 5187 1 . ILE 41 41 5187 1 . ARG 42 42 5187 1 . ALA 43 43 5187 1 . GLN 44 44 5187 1 . PHE 45 45 5187 1 . GLY 46 46 5187 1 . VAL 47 47 5187 1 . ALA 48 48 5187 1 . ALA 49 49 5187 1 . LYS 50 50 5187 1 . THR 51 51 5187 1 . VAL 52 52 5187 1 . SER 53 53 5187 1 . ARG 54 54 5187 1 . ALA 55 55 5187 1 . LEU 56 56 5187 1 . ALA 57 57 5187 1 . VAL 58 58 5187 1 . LEU 59 59 5187 1 . LYS 60 60 5187 1 . SER 61 61 5187 1 . GLU 62 62 5187 1 . GLY 63 63 5187 1 . LEU 64 64 5187 1 . VAL 65 65 5187 1 . SER 66 66 5187 1 . SER 67 67 5187 1 . ARG 68 68 5187 1 . GLY 69 69 5187 1 . ALA 70 70 5187 1 . LEU 71 71 5187 1 . GLY 72 72 5187 1 . THR 73 73 5187 1 . VAL 74 74 5187 1 . VAL 75 75 5187 1 . GLU 76 76 5187 1 . LYS 77 77 5187 1 . ASN 78 78 5187 1 . PRO 79 79 5187 1 . ILE 80 80 5187 1 . VAL 81 81 5187 1 . ILE 82 82 5187 1 . THR 83 83 5187 1 . GLY 84 84 5187 1 . ALA 85 85 5187 1 . ASP 86 86 5187 1 . ARG 87 87 5187 1 . LEU 88 88 5187 1 . LYS 89 89 5187 1 . ARG 90 90 5187 1 . MET 91 91 5187 1 . GLU 92 92 5187 1 . LYS 93 93 5187 1 . ASN 94 94 5187 1 . GLY 95 95 5187 1 . MET 96 96 5187 1 . ARG 97 97 5187 1 . TYR 98 98 5187 1 . ALA 99 99 5187 1 . PRO 100 100 5187 1 . GLY 101 101 5187 1 . GLU 102 102 5187 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 5187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TraR . 44289 organsim . 'Streptomyces nigrifaciens' 'Streptomyces nigrifaciens' . . Eubacteria . Streptomyces nigrifaciens . . . . . . . . . . . . . . pSN22 . . . . . . 5187 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 5187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TraR . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5187 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Streptmycal repressor' '[U-99% 13C; U-99% 15N]' . . 1 $TraR . . 1.0 . . mM . . . . 5187 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5187 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 na 5187 1 temperature 303 1 K 5187 1 stop_ save_ ############################ # Computer software used # ############################ save_Azara _Software.Sf_category software _Software.Sf_framecode Azara _Software.Entry_ID 5187 _Software.ID 1 _Software.Name AZARA _Software.Version 2.5 _Software.Details . save_ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 5187 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5187 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 500 . . . 5187 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 5187 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 8 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 9 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 10 HBHANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 11 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 12 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5187 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBHANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5187 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5187 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5187 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5187 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5187 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-15N HSQC' 1 $sample_1 . 5187 1 2 CBCA(CO)NH 1 $sample_1 . 5187 1 3 HNCACB 1 $sample_1 . 5187 1 4 HN(CO)CA 1 $sample_1 . 5187 1 5 HNCA 1 $sample_1 . 5187 1 6 HN(CA)CO 1 $sample_1 . 5187 1 7 HNCO 1 $sample_1 . 5187 1 8 C(CO)NH 1 $sample_1 . 5187 1 9 HBHA(CBCACO)NH 1 $sample_1 . 5187 1 10 HBHANH 1 $sample_1 . 5187 1 11 H(CCO)NH 1 $sample_1 . 5187 1 12 HCCH-TOCSY 1 $sample_1 . 5187 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 176.47 0.00 . 1 . . . . . . . . 5187 1 2 . 1 1 2 2 PRO CA C 13 62.92 0.03 . 1 . . . . . . . . 5187 1 3 . 1 1 2 2 PRO CB C 13 31.79 0.04 . 1 . . . . . . . . 5187 1 4 . 1 1 2 2 PRO CD C 13 50.19 0.05 . 1 . . . . . . . . 5187 1 5 . 1 1 2 2 PRO CG C 13 27.01 0.05 . 1 . . . . . . . . 5187 1 6 . 1 1 2 2 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 5187 1 7 . 1 1 2 2 PRO HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5187 1 8 . 1 1 2 2 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 5187 1 9 . 1 1 2 2 PRO HD2 H 1 3.56 0.02 . 2 . . . . . . . . 5187 1 10 . 1 1 2 2 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 5187 1 11 . 1 1 2 2 PRO HG2 H 1 1.99 0.02 . 2 . . . . . . . . 5187 1 12 . 1 1 3 3 MET C C 13 176.94 0.05 . 1 . . . . . . . . 5187 1 13 . 1 1 3 3 MET CA C 13 56.73 0.20 . 1 . . . . . . . . 5187 1 14 . 1 1 3 3 MET CB C 13 30.19 0.05 . 1 . . . . . . . . 5187 1 15 . 1 1 3 3 MET H H 1 8.59 0.00 . 1 . . . . . . . . 5187 1 16 . 1 1 3 3 MET HA H 1 4.25 0.01 . 1 . . . . . . . . 5187 1 17 . 1 1 3 3 MET HB2 H 1 2.02 0.00 . 2 . . . . . . . . 5187 1 18 . 1 1 3 3 MET HB3 H 1 1.95 0.00 . 2 . . . . . . . . 5187 1 19 . 1 1 3 3 MET HG2 H 1 2.27 0.02 . 2 . . . . . . . . 5187 1 20 . 1 1 3 3 MET N N 15 123.26 0.09 . 1 . . . . . . . . 5187 1 21 . 1 1 4 4 PRO C C 13 176.15 0.05 . 1 . . . . . . . . 5187 1 22 . 1 1 4 4 PRO CA C 13 63.04 0.01 . 1 . . . . . . . . 5187 1 23 . 1 1 4 4 PRO CB C 13 31.88 0.07 . 1 . . . . . . . . 5187 1 24 . 1 1 4 4 PRO CD C 13 50.34 0.10 . 1 . . . . . . . . 5187 1 25 . 1 1 4 4 PRO CG C 13 24.48 0.05 . 1 . . . . . . . . 5187 1 26 . 1 1 4 4 PRO HA H 1 4.40 0.00 . 1 . . . . . . . . 5187 1 27 . 1 1 4 4 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5187 1 28 . 1 1 4 4 PRO HB3 H 1 1.99 0.01 . 2 . . . . . . . . 5187 1 29 . 1 1 4 4 PRO HD2 H 1 3.71 0.01 . 2 . . . . . . . . 5187 1 30 . 1 1 4 4 PRO HD3 H 1 3.57 0.00 . 2 . . . . . . . . 5187 1 31 . 1 1 4 4 PRO HG2 H 1 1.89 0.02 . 2 . . . . . . . . 5187 1 32 . 1 1 5 5 TYR C C 13 174.89 0.00 . 1 . . . . . . . . 5187 1 33 . 1 1 5 5 TYR CA C 13 57.84 0.05 . 1 . . . . . . . . 5187 1 34 . 1 1 5 5 TYR CB C 13 38.80 0.11 . 1 . . . . . . . . 5187 1 35 . 1 1 5 5 TYR H H 1 8.14 0.01 . 1 . . . . . . . . 5187 1 36 . 1 1 5 5 TYR HA H 1 4.27 0.00 . 1 . . . . . . . . 5187 1 37 . 1 1 5 5 TYR HB2 H 1 3.02 0.01 . 2 . . . . . . . . 5187 1 38 . 1 1 5 5 TYR HB3 H 1 2.86 0.00 . 2 . . . . . . . . 5187 1 39 . 1 1 5 5 TYR N N 15 122.70 0.12 . 1 . . . . . . . . 5187 1 40 . 1 1 6 6 LYS C C 13 174.57 0.00 . 1 . . . . . . . . 5187 1 41 . 1 1 6 6 LYS CA C 13 54.94 0.04 . 1 . . . . . . . . 5187 1 42 . 1 1 6 6 LYS CB C 13 33.12 0.35 . 1 . . . . . . . . 5187 1 43 . 1 1 6 6 LYS CD C 13 28.84 0.05 . 1 . . . . . . . . 5187 1 44 . 1 1 6 6 LYS CG C 13 24.03 0.05 . 1 . . . . . . . . 5187 1 45 . 1 1 6 6 LYS H H 1 7.87 0.11 . 1 . . . . . . . . 5187 1 46 . 1 1 6 6 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 5187 1 47 . 1 1 6 6 LYS HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5187 1 48 . 1 1 6 6 LYS HD2 H 1 2.00 0.02 . 2 . . . . . . . . 5187 1 49 . 1 1 6 6 LYS HE2 H 1 2.59 0.02 . 2 . . . . . . . . 5187 1 50 . 1 1 6 6 LYS HG2 H 1 0.92 0.02 . 2 . . . . . . . . 5187 1 51 . 1 1 6 6 LYS N N 15 127.64 0.62 . 1 . . . . . . . . 5187 1 52 . 1 1 7 7 ALA C C 13 175.46 0.05 . 1 . . . . . . . . 5187 1 53 . 1 1 7 7 ALA CA C 13 50.15 0.20 . 1 . . . . . . . . 5187 1 54 . 1 1 7 7 ALA CB C 13 17.72 0.05 . 1 . . . . . . . . 5187 1 55 . 1 1 7 7 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5187 1 56 . 1 1 7 7 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 5187 1 57 . 1 1 7 7 ALA HB1 H 1 1.33 0.04 . 1 . . . . . . . . 5187 1 58 . 1 1 7 7 ALA HB2 H 1 1.33 0.04 . 1 . . . . . . . . 5187 1 59 . 1 1 7 7 ALA HB3 H 1 1.33 0.04 . 1 . . . . . . . . 5187 1 60 . 1 1 7 7 ALA N N 15 129.79 0.10 . 1 . . . . . . . . 5187 1 61 . 1 1 8 8 PRO C C 13 176.66 0.02 . 1 . . . . . . . . 5187 1 62 . 1 1 8 8 PRO CA C 13 62.77 0.04 . 1 . . . . . . . . 5187 1 63 . 1 1 8 8 PRO CB C 13 31.84 0.03 . 1 . . . . . . . . 5187 1 64 . 1 1 8 8 PRO CD C 13 50.18 0.14 . 1 . . . . . . . . 5187 1 65 . 1 1 8 8 PRO CG C 13 26.87 0.05 . 1 . . . . . . . . 5187 1 66 . 1 1 8 8 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 5187 1 67 . 1 1 8 8 PRO HB2 H 1 1.85 0.00 . 2 . . . . . . . . 5187 1 68 . 1 1 8 8 PRO HB3 H 1 2.27 0.01 . 2 . . . . . . . . 5187 1 69 . 1 1 8 8 PRO HD2 H 1 3.58 0.01 . 2 . . . . . . . . 5187 1 70 . 1 1 8 8 PRO HD3 H 1 3.79 0.00 . 2 . . . . . . . . 5187 1 71 . 1 1 8 8 PRO HG2 H 1 1.99 0.02 . 2 . . . . . . . . 5187 1 72 . 1 1 9 9 GLU C C 13 176.95 0.02 . 1 . . . . . . . . 5187 1 73 . 1 1 9 9 GLU CA C 13 56.47 0.08 . 1 . . . . . . . . 5187 1 74 . 1 1 9 9 GLU CB C 13 30.43 0.00 . 1 . . . . . . . . 5187 1 75 . 1 1 9 9 GLU CG C 13 36.14 0.14 . 1 . . . . . . . . 5187 1 76 . 1 1 9 9 GLU H H 1 8.49 0.00 . 1 . . . . . . . . 5187 1 77 . 1 1 9 9 GLU HA H 1 4.39 0.00 . 1 . . . . . . . . 5187 1 78 . 1 1 9 9 GLU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5187 1 79 . 1 1 9 9 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5187 1 80 . 1 1 9 9 GLU HG2 H 1 2.27 0.00 . 2 . . . . . . . . 5187 1 81 . 1 1 9 9 GLU N N 15 123.04 0.10 . 1 . . . . . . . . 5187 1 82 . 1 1 10 10 GLY C C 13 173.96 0.00 . 1 . . . . . . . . 5187 1 83 . 1 1 10 10 GLY CA C 13 45.17 0.18 . 1 . . . . . . . . 5187 1 84 . 1 1 10 10 GLY H H 1 8.46 0.00 . 1 . . . . . . . . 5187 1 85 . 1 1 10 10 GLY HA2 H 1 4.12 0.16 . 2 . . . . . . . . 5187 1 86 . 1 1 10 10 GLY N N 15 111.83 0.13 . 1 . . . . . . . . 5187 1 87 . 1 1 11 11 LYS C C 13 176.15 0.01 . 1 . . . . . . . . 5187 1 88 . 1 1 11 11 LYS CA C 13 55.05 0.16 . 1 . . . . . . . . 5187 1 89 . 1 1 11 11 LYS CB C 13 33.45 0.06 . 1 . . . . . . . . 5187 1 90 . 1 1 11 11 LYS CD C 13 28.74 0.05 . 1 . . . . . . . . 5187 1 91 . 1 1 11 11 LYS CG C 13 24.79 0.05 . 1 . . . . . . . . 5187 1 92 . 1 1 11 11 LYS H H 1 8.20 0.00 . 1 . . . . . . . . 5187 1 93 . 1 1 11 11 LYS HA H 1 4.44 0.01 . 1 . . . . . . . . 5187 1 94 . 1 1 11 11 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5187 1 95 . 1 1 11 11 LYS HD2 H 1 1.60 0.02 . 2 . . . . . . . . 5187 1 96 . 1 1 11 11 LYS HE2 H 1 3.02 0.01 . 2 . . . . . . . . 5187 1 97 . 1 1 11 11 LYS HG2 H 1 1.46 0.00 . 2 . . . . . . . . 5187 1 98 . 1 1 11 11 LYS N N 15 121.54 0.14 . 1 . . . . . . . . 5187 1 99 . 1 1 12 12 GLY C C 13 175.65 0.00 . 1 . . . . . . . . 5187 1 100 . 1 1 12 12 GLY CA C 13 44.21 0.18 . 1 . . . . . . . . 5187 1 101 . 1 1 12 12 GLY H H 1 8.90 0.00 . 1 . . . . . . . . 5187 1 102 . 1 1 12 12 GLY HA2 H 1 3.86 0.01 . 2 . . . . . . . . 5187 1 103 . 1 1 12 12 GLY HA3 H 1 4.45 0.02 . 2 . . . . . . . . 5187 1 104 . 1 1 12 12 GLY N N 15 110.28 0.10 . 1 . . . . . . . . 5187 1 105 . 1 1 13 13 TYR C C 13 176.78 0.00 . 1 . . . . . . . . 5187 1 106 . 1 1 13 13 TYR CA C 13 60.19 0.12 . 1 . . . . . . . . 5187 1 107 . 1 1 13 13 TYR CB C 13 37.97 0.03 . 1 . . . . . . . . 5187 1 108 . 1 1 13 13 TYR H H 1 8.63 0.01 . 1 . . . . . . . . 5187 1 109 . 1 1 13 13 TYR HA H 1 4.06 0.01 . 1 . . . . . . . . 5187 1 110 . 1 1 13 13 TYR HB2 H 1 3.02 0.01 . 2 . . . . . . . . 5187 1 111 . 1 1 13 13 TYR HB3 H 1 3.19 0.01 . 2 . . . . . . . . 5187 1 112 . 1 1 13 13 TYR N N 15 121.56 0.11 . 1 . . . . . . . . 5187 1 113 . 1 1 14 14 ALA C C 13 179.89 0.01 . 1 . . . . . . . . 5187 1 114 . 1 1 14 14 ALA CA C 13 54.25 0.03 . 1 . . . . . . . . 5187 1 115 . 1 1 14 14 ALA CB C 13 17.62 0.13 . 1 . . . . . . . . 5187 1 116 . 1 1 14 14 ALA H H 1 7.72 0.00 . 1 . . . . . . . . 5187 1 117 . 1 1 14 14 ALA HA H 1 3.78 0.01 . 1 . . . . . . . . 5187 1 118 . 1 1 14 14 ALA HB1 H 1 1.05 0.01 . 1 . . . . . . . . 5187 1 119 . 1 1 14 14 ALA HB2 H 1 1.05 0.01 . 1 . . . . . . . . 5187 1 120 . 1 1 14 14 ALA HB3 H 1 1.05 0.01 . 1 . . . . . . . . 5187 1 121 . 1 1 14 14 ALA N N 15 126.53 0.11 . 1 . . . . . . . . 5187 1 122 . 1 1 15 15 ASP C C 13 178.53 0.00 . 1 . . . . . . . . 5187 1 123 . 1 1 15 15 ASP CA C 13 56.60 0.15 . 1 . . . . . . . . 5187 1 124 . 1 1 15 15 ASP CB C 13 40.97 0.06 . 1 . . . . . . . . 5187 1 125 . 1 1 15 15 ASP H H 1 7.37 0.00 . 1 . . . . . . . . 5187 1 126 . 1 1 15 15 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 5187 1 127 . 1 1 15 15 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 5187 1 128 . 1 1 15 15 ASP N N 15 119.72 0.10 . 1 . . . . . . . . 5187 1 129 . 1 1 16 16 VAL C C 13 177.08 0.00 . 1 . . . . . . . . 5187 1 130 . 1 1 16 16 VAL CA C 13 65.49 0.01 . 1 . . . . . . . . 5187 1 131 . 1 1 16 16 VAL CB C 13 30.89 0.01 . 1 . . . . . . . . 5187 1 132 . 1 1 16 16 VAL CG1 C 13 21.24 0.21 . 1 . . . . . . . . 5187 1 133 . 1 1 16 16 VAL H H 1 7.31 0.00 . 1 . . . . . . . . 5187 1 134 . 1 1 16 16 VAL HA H 1 4.61 0.21 . 1 . . . . . . . . 5187 1 135 . 1 1 16 16 VAL HB H 1 2.86 0.01 . 1 . . . . . . . . 5187 1 136 . 1 1 16 16 VAL HG11 H 1 0.27 0.00 . 1 . . . . . . . . 5187 1 137 . 1 1 16 16 VAL HG12 H 1 0.27 0.00 . 1 . . . . . . . . 5187 1 138 . 1 1 16 16 VAL HG13 H 1 0.27 0.00 . 1 . . . . . . . . 5187 1 139 . 1 1 16 16 VAL HG21 H 1 0.65 0.01 . 1 . . . . . . . . 5187 1 140 . 1 1 16 16 VAL HG22 H 1 0.65 0.01 . 1 . . . . . . . . 5187 1 141 . 1 1 16 16 VAL HG23 H 1 0.65 0.01 . 1 . . . . . . . . 5187 1 142 . 1 1 16 16 VAL N N 15 122.42 0.11 . 1 . . . . . . . . 5187 1 143 . 1 1 17 17 ALA C C 13 178.93 0.00 . 1 . . . . . . . . 5187 1 144 . 1 1 17 17 ALA CA C 13 55.80 0.05 . 1 . . . . . . . . 5187 1 145 . 1 1 17 17 ALA CB C 13 17.12 0.14 . 1 . . . . . . . . 5187 1 146 . 1 1 17 17 ALA H H 1 8.33 0.00 . 1 . . . . . . . . 5187 1 147 . 1 1 17 17 ALA HA H 1 4.03 0.01 . 1 . . . . . . . . 5187 1 148 . 1 1 17 17 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 5187 1 149 . 1 1 17 17 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5187 1 150 . 1 1 17 17 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5187 1 151 . 1 1 17 17 ALA N N 15 122.20 0.11 . 1 . . . . . . . . 5187 1 152 . 1 1 18 18 THR C C 13 175.87 0.01 . 1 . . . . . . . . 5187 1 153 . 1 1 18 18 THR CA C 13 66.21 0.16 . 1 . . . . . . . . 5187 1 154 . 1 1 18 18 THR CB C 13 68.28 0.23 . 1 . . . . . . . . 5187 1 155 . 1 1 18 18 THR CG2 C 13 21.49 0.05 . 1 . . . . . . . . 5187 1 156 . 1 1 18 18 THR H H 1 8.42 0.00 . 1 . . . . . . . . 5187 1 157 . 1 1 18 18 THR HA H 1 4.00 0.08 . 1 . . . . . . . . 5187 1 158 . 1 1 18 18 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 5187 1 159 . 1 1 18 18 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5187 1 160 . 1 1 18 18 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5187 1 161 . 1 1 18 18 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5187 1 162 . 1 1 18 18 THR N N 15 116.64 0.11 . 1 . . . . . . . . 5187 1 163 . 1 1 19 19 HIS C C 13 177.03 0.01 . 1 . . . . . . . . 5187 1 164 . 1 1 19 19 HIS CA C 13 59.96 0.12 . 1 . . . . . . . . 5187 1 165 . 1 1 19 19 HIS CB C 13 30.34 0.12 . 1 . . . . . . . . 5187 1 166 . 1 1 19 19 HIS H H 1 7.66 0.00 . 1 . . . . . . . . 5187 1 167 . 1 1 19 19 HIS HA H 1 4.22 0.01 . 1 . . . . . . . . 5187 1 168 . 1 1 19 19 HIS HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5187 1 169 . 1 1 19 19 HIS HB3 H 1 3.10 0.02 . 2 . . . . . . . . 5187 1 170 . 1 1 19 19 HIS N N 15 124.00 0.09 . 1 . . . . . . . . 5187 1 171 . 1 1 20 20 PHE C C 13 177.15 0.01 . 1 . . . . . . . . 5187 1 172 . 1 1 20 20 PHE CA C 13 62.96 0.17 . 1 . . . . . . . . 5187 1 173 . 1 1 20 20 PHE CB C 13 39.40 0.04 . 1 . . . . . . . . 5187 1 174 . 1 1 20 20 PHE H H 1 7.39 0.00 . 1 . . . . . . . . 5187 1 175 . 1 1 20 20 PHE HA H 1 4.10 0.01 . 1 . . . . . . . . 5187 1 176 . 1 1 20 20 PHE HB2 H 1 2.85 0.01 . 2 . . . . . . . . 5187 1 177 . 1 1 20 20 PHE N N 15 115.55 0.10 . 1 . . . . . . . . 5187 1 178 . 1 1 21 21 ARG C C 13 178.43 0.01 . 1 . . . . . . . . 5187 1 179 . 1 1 21 21 ARG CA C 13 60.91 0.23 . 1 . . . . . . . . 5187 1 180 . 1 1 21 21 ARG CB C 13 30.09 0.15 . 1 . . . . . . . . 5187 1 181 . 1 1 21 21 ARG CD C 13 42.22 0.05 . 1 . . . . . . . . 5187 1 182 . 1 1 21 21 ARG CG C 13 28.63 0.05 . 1 . . . . . . . . 5187 1 183 . 1 1 21 21 ARG H H 1 9.28 0.00 . 1 . . . . . . . . 5187 1 184 . 1 1 21 21 ARG HA H 1 3.68 0.01 . 1 . . . . . . . . 5187 1 185 . 1 1 21 21 ARG HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5187 1 186 . 1 1 21 21 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5187 1 187 . 1 1 21 21 ARG HD2 H 1 3.27 0.02 . 2 . . . . . . . . 5187 1 188 . 1 1 21 21 ARG HG2 H 1 1.51 0.02 . 2 . . . . . . . . 5187 1 189 . 1 1 21 21 ARG N N 15 123.21 0.10 . 1 . . . . . . . . 5187 1 190 . 1 1 22 22 THR C C 13 176.64 0.00 . 1 . . . . . . . . 5187 1 191 . 1 1 22 22 THR CA C 13 66.57 0.06 . 1 . . . . . . . . 5187 1 192 . 1 1 22 22 THR CB C 13 68.52 0.04 . 1 . . . . . . . . 5187 1 193 . 1 1 22 22 THR CG2 C 13 21.01 0.05 . 1 . . . . . . . . 5187 1 194 . 1 1 22 22 THR H H 1 8.27 0.00 . 1 . . . . . . . . 5187 1 195 . 1 1 22 22 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 5187 1 196 . 1 1 22 22 THR HB H 1 3.86 0.00 . 1 . . . . . . . . 5187 1 197 . 1 1 22 22 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5187 1 198 . 1 1 22 22 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5187 1 199 . 1 1 22 22 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5187 1 200 . 1 1 22 22 THR N N 15 116.43 0.10 . 1 . . . . . . . . 5187 1 201 . 1 1 23 23 LEU C C 13 178.90 0.00 . 1 . . . . . . . . 5187 1 202 . 1 1 23 23 LEU CA C 13 57.50 0.22 . 1 . . . . . . . . 5187 1 203 . 1 1 23 23 LEU CB C 13 42.23 0.05 . 1 . . . . . . . . 5187 1 204 . 1 1 23 23 LEU CD1 C 13 22.52 0.05 . 1 . . . . . . . . 5187 1 205 . 1 1 23 23 LEU CG C 13 24.72 0.05 . 1 . . . . . . . . 5187 1 206 . 1 1 23 23 LEU H H 1 7.36 0.01 . 1 . . . . . . . . 5187 1 207 . 1 1 23 23 LEU HA H 1 4.04 0.00 . 1 . . . . . . . . 5187 1 208 . 1 1 23 23 LEU HB2 H 1 1.30 0.00 . 2 . . . . . . . . 5187 1 209 . 1 1 23 23 LEU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 5187 1 210 . 1 1 23 23 LEU HD11 H 1 0.65 0.02 . 1 . . . . . . . . 5187 1 211 . 1 1 23 23 LEU HD12 H 1 0.65 0.02 . 1 . . . . . . . . 5187 1 212 . 1 1 23 23 LEU HD13 H 1 0.65 0.02 . 1 . . . . . . . . 5187 1 213 . 1 1 23 23 LEU HD21 H 1 0.57 0.02 . 1 . . . . . . . . 5187 1 214 . 1 1 23 23 LEU HD22 H 1 0.57 0.02 . 1 . . . . . . . . 5187 1 215 . 1 1 23 23 LEU HD23 H 1 0.57 0.02 . 1 . . . . . . . . 5187 1 216 . 1 1 23 23 LEU HG H 1 1.27 0.04 . 1 . . . . . . . . 5187 1 217 . 1 1 23 23 LEU N N 15 123.79 0.09 . 1 . . . . . . . . 5187 1 218 . 1 1 24 24 ILE C C 13 179.89 0.00 . 1 . . . . . . . . 5187 1 219 . 1 1 24 24 ILE CA C 13 64.48 0.17 . 1 . . . . . . . . 5187 1 220 . 1 1 24 24 ILE CB C 13 38.89 0.01 . 1 . . . . . . . . 5187 1 221 . 1 1 24 24 ILE CD1 C 13 14.47 0.05 . 1 . . . . . . . . 5187 1 222 . 1 1 24 24 ILE CG1 C 13 29.77 0.05 . 1 . . . . . . . . 5187 1 223 . 1 1 24 24 ILE CG2 C 13 17.29 0.05 . 1 . . . . . . . . 5187 1 224 . 1 1 24 24 ILE H H 1 8.17 0.30 . 1 . . . . . . . . 5187 1 225 . 1 1 24 24 ILE HA H 1 4.20 0.02 . 1 . . . . . . . . 5187 1 226 . 1 1 24 24 ILE HB H 1 1.88 0.00 . 1 . . . . . . . . 5187 1 227 . 1 1 24 24 ILE HD11 H 1 0.78 0.00 . 1 . . . . . . . . 5187 1 228 . 1 1 24 24 ILE HD12 H 1 0.78 0.00 . 1 . . . . . . . . 5187 1 229 . 1 1 24 24 ILE HD13 H 1 0.78 0.00 . 1 . . . . . . . . 5187 1 230 . 1 1 24 24 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 5187 1 231 . 1 1 24 24 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 5187 1 232 . 1 1 24 24 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 5187 1 233 . 1 1 24 24 ILE N N 15 122.15 0.63 . 1 . . . . . . . . 5187 1 234 . 1 1 25 25 LYS C C 13 178.50 0.00 . 1 . . . . . . . . 5187 1 235 . 1 1 25 25 LYS CA C 13 59.19 0.01 . 1 . . . . . . . . 5187 1 236 . 1 1 25 25 LYS CB C 13 31.57 0.05 . 1 . . . . . . . . 5187 1 237 . 1 1 25 25 LYS CD C 13 28.79 0.23 . 1 . . . . . . . . 5187 1 238 . 1 1 25 25 LYS CG C 13 25.16 0.23 . 1 . . . . . . . . 5187 1 239 . 1 1 25 25 LYS H H 1 8.86 0.00 . 1 . . . . . . . . 5187 1 240 . 1 1 25 25 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 5187 1 241 . 1 1 25 25 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5187 1 242 . 1 1 25 25 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 5187 1 243 . 1 1 25 25 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 5187 1 244 . 1 1 25 25 LYS HG2 H 1 1.67 0.01 . 2 . . . . . . . . 5187 1 245 . 1 1 25 25 LYS HG3 H 1 1.49 0.01 . 2 . . . . . . . . 5187 1 246 . 1 1 25 25 LYS N N 15 122.88 0.12 . 1 . . . . . . . . 5187 1 247 . 1 1 26 26 SER C C 13 175.52 0.01 . 1 . . . . . . . . 5187 1 248 . 1 1 26 26 SER CA C 13 58.89 0.05 . 1 . . . . . . . . 5187 1 249 . 1 1 26 26 SER CB C 13 63.77 0.07 . 1 . . . . . . . . 5187 1 250 . 1 1 26 26 SER H H 1 8.17 0.00 . 1 . . . . . . . . 5187 1 251 . 1 1 26 26 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 5187 1 252 . 1 1 26 26 SER HB2 H 1 4.11 0.01 . 2 . . . . . . . . 5187 1 253 . 1 1 26 26 SER HB3 H 1 4.00 0.01 . 2 . . . . . . . . 5187 1 254 . 1 1 26 26 SER N N 15 113.19 0.10 . 1 . . . . . . . . 5187 1 255 . 1 1 27 27 GLY C C 13 173.83 0.00 . 1 . . . . . . . . 5187 1 256 . 1 1 27 27 GLY CA C 13 44.77 0.21 . 1 . . . . . . . . 5187 1 257 . 1 1 27 27 GLY H H 1 7.65 0.00 . 1 . . . . . . . . 5187 1 258 . 1 1 27 27 GLY HA2 H 1 4.25 0.01 . 2 . . . . . . . . 5187 1 259 . 1 1 27 27 GLY HA3 H 1 3.79 0.01 . 2 . . . . . . . . 5187 1 260 . 1 1 27 27 GLY N N 15 111.57 0.11 . 1 . . . . . . . . 5187 1 261 . 1 1 28 28 GLU C C 13 177.73 0.00 . 1 . . . . . . . . 5187 1 262 . 1 1 28 28 GLU CA C 13 59.00 0.22 . 1 . . . . . . . . 5187 1 263 . 1 1 28 28 GLU CB C 13 29.78 0.07 . 1 . . . . . . . . 5187 1 264 . 1 1 28 28 GLU CG C 13 36.46 0.05 . 1 . . . . . . . . 5187 1 265 . 1 1 28 28 GLU H H 1 8.10 0.01 . 1 . . . . . . . . 5187 1 266 . 1 1 28 28 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5187 1 267 . 1 1 28 28 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5187 1 268 . 1 1 28 28 GLU HG2 H 1 2.16 0.01 . 2 . . . . . . . . 5187 1 269 . 1 1 28 28 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5187 1 270 . 1 1 28 28 GLU N N 15 123.94 0.08 . 1 . . . . . . . . 5187 1 271 . 1 1 29 29 LEU C C 13 174.18 0.00 . 1 . . . . . . . . 5187 1 272 . 1 1 29 29 LEU CA C 13 53.34 0.29 . 1 . . . . . . . . 5187 1 273 . 1 1 29 29 LEU CB C 13 43.95 0.17 . 1 . . . . . . . . 5187 1 274 . 1 1 29 29 LEU CD1 C 13 23.50 0.05 . 1 . . . . . . . . 5187 1 275 . 1 1 29 29 LEU CG C 13 26.14 0.05 . 1 . . . . . . . . 5187 1 276 . 1 1 29 29 LEU H H 1 7.06 0.00 . 1 . . . . . . . . 5187 1 277 . 1 1 29 29 LEU HA H 1 4.62 0.01 . 1 . . . . . . . . 5187 1 278 . 1 1 29 29 LEU HB2 H 1 1.32 0.01 . 2 . . . . . . . . 5187 1 279 . 1 1 29 29 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 280 . 1 1 29 29 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 281 . 1 1 29 29 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 282 . 1 1 29 29 LEU HG H 1 1.02 0.01 . 1 . . . . . . . . 5187 1 283 . 1 1 29 29 LEU N N 15 119.94 0.11 . 1 . . . . . . . . 5187 1 284 . 1 1 30 30 ALA C C 13 174.30 0.05 . 1 . . . . . . . . 5187 1 285 . 1 1 30 30 ALA CA C 13 49.41 0.21 . 1 . . . . . . . . 5187 1 286 . 1 1 30 30 ALA CB C 13 18.90 0.05 . 1 . . . . . . . . 5187 1 287 . 1 1 30 30 ALA H H 1 8.93 0.00 . 1 . . . . . . . . 5187 1 288 . 1 1 30 30 ALA HA H 1 4.50 0.01 . 1 . . . . . . . . 5187 1 289 . 1 1 30 30 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 5187 1 290 . 1 1 30 30 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 5187 1 291 . 1 1 30 30 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 5187 1 292 . 1 1 30 30 ALA N N 15 129.61 0.10 . 1 . . . . . . . . 5187 1 293 . 1 1 31 31 PRO C C 13 177.45 0.00 . 1 . . . . . . . . 5187 1 294 . 1 1 31 31 PRO CA C 13 63.72 0.16 . 1 . . . . . . . . 5187 1 295 . 1 1 31 31 PRO CB C 13 31.28 0.08 . 1 . . . . . . . . 5187 1 296 . 1 1 31 31 PRO CD C 13 49.90 0.05 . 1 . . . . . . . . 5187 1 297 . 1 1 31 31 PRO CG C 13 27.81 0.05 . 1 . . . . . . . . 5187 1 298 . 1 1 31 31 PRO HA H 1 3.84 0.01 . 1 . . . . . . . . 5187 1 299 . 1 1 31 31 PRO HB2 H 1 1.98 0.16 . 2 . . . . . . . . 5187 1 300 . 1 1 31 31 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 5187 1 301 . 1 1 32 32 GLY C C 13 174.15 0.00 . 1 . . . . . . . . 5187 1 302 . 1 1 32 32 GLY CA C 13 44.61 0.20 . 1 . . . . . . . . 5187 1 303 . 1 1 32 32 GLY H H 1 8.72 0.00 . 1 . . . . . . . . 5187 1 304 . 1 1 32 32 GLY HA2 H 1 3.41 0.01 . 2 . . . . . . . . 5187 1 305 . 1 1 32 32 GLY HA3 H 1 4.39 0.01 . 2 . . . . . . . . 5187 1 306 . 1 1 32 32 GLY N N 15 115.61 0.11 . 1 . . . . . . . . 5187 1 307 . 1 1 33 33 ASP C C 13 175.51 0.00 . 1 . . . . . . . . 5187 1 308 . 1 1 33 33 ASP CA C 13 54.55 0.21 . 1 . . . . . . . . 5187 1 309 . 1 1 33 33 ASP CB C 13 40.95 0.09 . 1 . . . . . . . . 5187 1 310 . 1 1 33 33 ASP H H 1 8.50 0.01 . 1 . . . . . . . . 5187 1 311 . 1 1 33 33 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 5187 1 312 . 1 1 33 33 ASP HB2 H 1 2.59 0.01 . 2 . . . . . . . . 5187 1 313 . 1 1 33 33 ASP HB3 H 1 2.97 0.00 . 2 . . . . . . . . 5187 1 314 . 1 1 33 33 ASP N N 15 124.06 0.11 . 1 . . . . . . . . 5187 1 315 . 1 1 34 34 THR C C 13 175.11 0.00 . 1 . . . . . . . . 5187 1 316 . 1 1 34 34 THR CA C 13 60.83 0.04 . 1 . . . . . . . . 5187 1 317 . 1 1 34 34 THR CB C 13 69.78 0.07 . 1 . . . . . . . . 5187 1 318 . 1 1 34 34 THR CG2 C 13 21.82 0.05 . 1 . . . . . . . . 5187 1 319 . 1 1 34 34 THR H H 1 8.28 0.00 . 1 . . . . . . . . 5187 1 320 . 1 1 34 34 THR HA H 1 4.80 0.01 . 1 . . . . . . . . 5187 1 321 . 1 1 34 34 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 5187 1 322 . 1 1 34 34 THR HG21 H 1 1.30 0.01 . 1 . . . . . . . . 5187 1 323 . 1 1 34 34 THR HG22 H 1 1.30 0.01 . 1 . . . . . . . . 5187 1 324 . 1 1 34 34 THR HG23 H 1 1.30 0.01 . 1 . . . . . . . . 5187 1 325 . 1 1 34 34 THR N N 15 114.90 0.09 . 1 . . . . . . . . 5187 1 326 . 1 1 35 35 LEU C C 13 174.65 0.05 . 1 . . . . . . . . 5187 1 327 . 1 1 35 35 LEU CA C 13 54.45 0.25 . 1 . . . . . . . . 5187 1 328 . 1 1 35 35 LEU CB C 13 39.84 0.05 . 1 . . . . . . . . 5187 1 329 . 1 1 35 35 LEU H H 1 8.43 0.01 . 1 . . . . . . . . 5187 1 330 . 1 1 35 35 LEU HA H 1 4.26 0.00 . 1 . . . . . . . . 5187 1 331 . 1 1 35 35 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5187 1 332 . 1 1 35 35 LEU HD11 H 1 1.23 0.02 . 1 . . . . . . . . 5187 1 333 . 1 1 35 35 LEU HD12 H 1 1.23 0.02 . 1 . . . . . . . . 5187 1 334 . 1 1 35 35 LEU HD13 H 1 1.23 0.02 . 1 . . . . . . . . 5187 1 335 . 1 1 35 35 LEU HD21 H 1 1.34 0.02 . 1 . . . . . . . . 5187 1 336 . 1 1 35 35 LEU HD22 H 1 1.34 0.02 . 1 . . . . . . . . 5187 1 337 . 1 1 35 35 LEU HD23 H 1 1.34 0.02 . 1 . . . . . . . . 5187 1 338 . 1 1 35 35 LEU HG H 1 1.89 0.02 . 1 . . . . . . . . 5187 1 339 . 1 1 35 35 LEU N N 15 127.19 0.14 . 1 . . . . . . . . 5187 1 340 . 1 1 36 36 PRO C C 13 173.90 0.01 . 1 . . . . . . . . 5187 1 341 . 1 1 36 36 PRO CA C 13 62.13 0.21 . 1 . . . . . . . . 5187 1 342 . 1 1 36 36 PRO CB C 13 31.83 0.02 . 1 . . . . . . . . 5187 1 343 . 1 1 36 36 PRO CD C 13 50.37 0.05 . 1 . . . . . . . . 5187 1 344 . 1 1 36 36 PRO CG C 13 27.61 0.05 . 1 . . . . . . . . 5187 1 345 . 1 1 36 36 PRO HA H 1 4.57 0.01 . 1 . . . . . . . . 5187 1 346 . 1 1 36 36 PRO HB2 H 1 2.62 0.01 . 2 . . . . . . . . 5187 1 347 . 1 1 36 36 PRO HB3 H 1 1.92 0.00 . 2 . . . . . . . . 5187 1 348 . 1 1 36 36 PRO HD2 H 1 3.13 0.02 . 2 . . . . . . . . 5187 1 349 . 1 1 36 36 PRO HD3 H 1 3.83 0.02 . 2 . . . . . . . . 5187 1 350 . 1 1 36 36 PRO HG2 H 1 2.23 0.00 . 2 . . . . . . . . 5187 1 351 . 1 1 37 37 SER C C 13 174.53 0.00 . 1 . . . . . . . . 5187 1 352 . 1 1 37 37 SER CA C 13 57.05 0.16 . 1 . . . . . . . . 5187 1 353 . 1 1 37 37 SER CB C 13 64.78 0.04 . 1 . . . . . . . . 5187 1 354 . 1 1 37 37 SER H H 1 8.63 0.00 . 1 . . . . . . . . 5187 1 355 . 1 1 37 37 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 5187 1 356 . 1 1 37 37 SER HB2 H 1 4.09 0.01 . 2 . . . . . . . . 5187 1 357 . 1 1 37 37 SER N N 15 116.36 0.08 . 1 . . . . . . . . 5187 1 358 . 1 1 38 38 VAL C C 13 177.91 0.00 . 1 . . . . . . . . 5187 1 359 . 1 1 38 38 VAL CA C 13 67.37 0.13 . 1 . . . . . . . . 5187 1 360 . 1 1 38 38 VAL CB C 13 31.12 0.02 . 1 . . . . . . . . 5187 1 361 . 1 1 38 38 VAL CG1 C 13 21.98 0.05 . 1 . . . . . . . . 5187 1 362 . 1 1 38 38 VAL CG2 C 13 20.41 0.05 . 1 . . . . . . . . 5187 1 363 . 1 1 38 38 VAL H H 1 8.60 0.00 . 1 . . . . . . . . 5187 1 364 . 1 1 38 38 VAL HA H 1 3.51 0.00 . 1 . . . . . . . . 5187 1 365 . 1 1 38 38 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 5187 1 366 . 1 1 38 38 VAL HG11 H 1 0.92 0.00 . 1 . . . . . . . . 5187 1 367 . 1 1 38 38 VAL HG12 H 1 0.92 0.00 . 1 . . . . . . . . 5187 1 368 . 1 1 38 38 VAL HG13 H 1 0.92 0.00 . 1 . . . . . . . . 5187 1 369 . 1 1 38 38 VAL HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5187 1 370 . 1 1 38 38 VAL HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5187 1 371 . 1 1 38 38 VAL HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5187 1 372 . 1 1 38 38 VAL N N 15 121.99 0.11 . 1 . . . . . . . . 5187 1 373 . 1 1 39 39 ALA C C 13 180.27 0.00 . 1 . . . . . . . . 5187 1 374 . 1 1 39 39 ALA CA C 13 55.37 0.05 . 1 . . . . . . . . 5187 1 375 . 1 1 39 39 ALA CB C 13 18.12 0.11 . 1 . . . . . . . . 5187 1 376 . 1 1 39 39 ALA H H 1 8.39 0.00 . 1 . . . . . . . . 5187 1 377 . 1 1 39 39 ALA HA H 1 3.96 0.01 . 1 . . . . . . . . 5187 1 378 . 1 1 39 39 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 5187 1 379 . 1 1 39 39 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5187 1 380 . 1 1 39 39 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5187 1 381 . 1 1 39 39 ALA N N 15 122.35 0.11 . 1 . . . . . . . . 5187 1 382 . 1 1 40 40 ASP C C 13 179.30 0.00 . 1 . . . . . . . . 5187 1 383 . 1 1 40 40 ASP CA C 13 57.18 0.14 . 1 . . . . . . . . 5187 1 384 . 1 1 40 40 ASP CB C 13 40.07 0.02 . 1 . . . . . . . . 5187 1 385 . 1 1 40 40 ASP H H 1 7.91 0.00 . 1 . . . . . . . . 5187 1 386 . 1 1 40 40 ASP HA H 1 4.49 0.00 . 1 . . . . . . . . 5187 1 387 . 1 1 40 40 ASP HB2 H 1 2.70 0.01 . 2 . . . . . . . . 5187 1 388 . 1 1 40 40 ASP HB3 H 1 2.98 0.01 . 2 . . . . . . . . 5187 1 389 . 1 1 40 40 ASP N N 15 122.45 0.12 . 1 . . . . . . . . 5187 1 390 . 1 1 41 41 ILE C C 13 178.65 0.01 . 1 . . . . . . . . 5187 1 391 . 1 1 41 41 ILE CA C 13 65.95 0.15 . 1 . . . . . . . . 5187 1 392 . 1 1 41 41 ILE CB C 13 37.72 0.05 . 1 . . . . . . . . 5187 1 393 . 1 1 41 41 ILE CD1 C 13 12.71 0.20 . 1 . . . . . . . . 5187 1 394 . 1 1 41 41 ILE CG1 C 13 29.14 0.05 . 1 . . . . . . . . 5187 1 395 . 1 1 41 41 ILE CG2 C 13 20.05 0.05 . 1 . . . . . . . . 5187 1 396 . 1 1 41 41 ILE H H 1 8.70 0.00 . 1 . . . . . . . . 5187 1 397 . 1 1 41 41 ILE HA H 1 3.91 0.01 . 1 . . . . . . . . 5187 1 398 . 1 1 41 41 ILE HB H 1 1.91 0.00 . 1 . . . . . . . . 5187 1 399 . 1 1 41 41 ILE HD11 H 1 0.56 0.01 . 1 . . . . . . . . 5187 1 400 . 1 1 41 41 ILE HD12 H 1 0.56 0.01 . 1 . . . . . . . . 5187 1 401 . 1 1 41 41 ILE HD13 H 1 0.56 0.01 . 1 . . . . . . . . 5187 1 402 . 1 1 41 41 ILE HG12 H 1 2.13 0.02 . 2 . . . . . . . . 5187 1 403 . 1 1 41 41 ILE HG21 H 1 1.06 0.01 . 1 . . . . . . . . 5187 1 404 . 1 1 41 41 ILE HG22 H 1 1.06 0.01 . 1 . . . . . . . . 5187 1 405 . 1 1 41 41 ILE HG23 H 1 1.06 0.01 . 1 . . . . . . . . 5187 1 406 . 1 1 41 41 ILE N N 15 124.69 0.11 . 1 . . . . . . . . 5187 1 407 . 1 1 42 42 ARG C C 13 179.43 0.00 . 1 . . . . . . . . 5187 1 408 . 1 1 42 42 ARG CA C 13 60.34 0.12 . 1 . . . . . . . . 5187 1 409 . 1 1 42 42 ARG CB C 13 30.33 0.07 . 1 . . . . . . . . 5187 1 410 . 1 1 42 42 ARG CD C 13 44.22 0.05 . 1 . . . . . . . . 5187 1 411 . 1 1 42 42 ARG CG C 13 26.77 0.05 . 1 . . . . . . . . 5187 1 412 . 1 1 42 42 ARG H H 1 8.97 0.00 . 1 . . . . . . . . 5187 1 413 . 1 1 42 42 ARG HA H 1 3.84 0.01 . 1 . . . . . . . . 5187 1 414 . 1 1 42 42 ARG HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5187 1 415 . 1 1 42 42 ARG HG2 H 1 1.93 0.02 . 2 . . . . . . . . 5187 1 416 . 1 1 42 42 ARG N N 15 120.99 0.11 . 1 . . . . . . . . 5187 1 417 . 1 1 43 43 ALA C C 13 179.43 0.00 . 1 . . . . . . . . 5187 1 418 . 1 1 43 43 ALA CA C 13 54.22 0.02 . 1 . . . . . . . . 5187 1 419 . 1 1 43 43 ALA CB C 13 18.20 0.04 . 1 . . . . . . . . 5187 1 420 . 1 1 43 43 ALA H H 1 7.69 0.00 . 1 . . . . . . . . 5187 1 421 . 1 1 43 43 ALA HA H 1 4.20 0.00 . 1 . . . . . . . . 5187 1 422 . 1 1 43 43 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 5187 1 423 . 1 1 43 43 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5187 1 424 . 1 1 43 43 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5187 1 425 . 1 1 43 43 ALA N N 15 121.81 0.11 . 1 . . . . . . . . 5187 1 426 . 1 1 44 44 GLN C C 13 177.48 0.00 . 1 . . . . . . . . 5187 1 427 . 1 1 44 44 GLN CA C 13 58.24 0.11 . 1 . . . . . . . . 5187 1 428 . 1 1 44 44 GLN CB C 13 28.06 0.04 . 1 . . . . . . . . 5187 1 429 . 1 1 44 44 GLN CG C 13 32.42 0.05 . 1 . . . . . . . . 5187 1 430 . 1 1 44 44 GLN H H 1 8.05 0.00 . 1 . . . . . . . . 5187 1 431 . 1 1 44 44 GLN HA H 1 3.87 0.01 . 1 . . . . . . . . 5187 1 432 . 1 1 44 44 GLN HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5187 1 433 . 1 1 44 44 GLN HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5187 1 434 . 1 1 44 44 GLN HG2 H 1 1.32 0.00 . 2 . . . . . . . . 5187 1 435 . 1 1 44 44 GLN N N 15 120.13 0.11 . 1 . . . . . . . . 5187 1 436 . 1 1 45 45 PHE C C 13 175.47 0.00 . 1 . . . . . . . . 5187 1 437 . 1 1 45 45 PHE CA C 13 58.38 0.17 . 1 . . . . . . . . 5187 1 438 . 1 1 45 45 PHE CB C 13 41.28 0.03 . 1 . . . . . . . . 5187 1 439 . 1 1 45 45 PHE H H 1 7.85 0.00 . 1 . . . . . . . . 5187 1 440 . 1 1 45 45 PHE HA H 1 4.46 0.01 . 1 . . . . . . . . 5187 1 441 . 1 1 45 45 PHE HB2 H 1 2.60 0.01 . 2 . . . . . . . . 5187 1 442 . 1 1 45 45 PHE HB3 H 1 3.09 0.01 . 2 . . . . . . . . 5187 1 443 . 1 1 45 45 PHE N N 15 113.63 0.13 . 1 . . . . . . . . 5187 1 444 . 1 1 46 46 GLY C C 13 175.16 0.00 . 1 . . . . . . . . 5187 1 445 . 1 1 46 46 GLY CA C 13 47.01 0.48 . 1 . . . . . . . . 5187 1 446 . 1 1 46 46 GLY H H 1 8.30 0.00 . 1 . . . . . . . . 5187 1 447 . 1 1 46 46 GLY HA2 H 1 3.99 0.05 . 2 . . . . . . . . 5187 1 448 . 1 1 46 46 GLY N N 15 113.97 0.11 . 1 . . . . . . . . 5187 1 449 . 1 1 47 47 VAL C C 13 174.96 0.00 . 1 . . . . . . . . 5187 1 450 . 1 1 47 47 VAL CA C 13 57.78 0.20 . 1 . . . . . . . . 5187 1 451 . 1 1 47 47 VAL CB C 13 35.45 0.18 . 1 . . . . . . . . 5187 1 452 . 1 1 47 47 VAL CG1 C 13 21.61 0.05 . 1 . . . . . . . . 5187 1 453 . 1 1 47 47 VAL CG2 C 13 18.56 0.05 . 1 . . . . . . . . 5187 1 454 . 1 1 47 47 VAL H H 1 7.17 0.00 . 1 . . . . . . . . 5187 1 455 . 1 1 47 47 VAL HA H 1 4.89 0.01 . 1 . . . . . . . . 5187 1 456 . 1 1 47 47 VAL HB H 1 2.33 0.02 . 1 . . . . . . . . 5187 1 457 . 1 1 47 47 VAL HG11 H 1 0.72 0.01 . 1 . . . . . . . . 5187 1 458 . 1 1 47 47 VAL HG12 H 1 0.72 0.01 . 1 . . . . . . . . 5187 1 459 . 1 1 47 47 VAL HG13 H 1 0.72 0.01 . 1 . . . . . . . . 5187 1 460 . 1 1 47 47 VAL HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5187 1 461 . 1 1 47 47 VAL HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5187 1 462 . 1 1 47 47 VAL HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5187 1 463 . 1 1 47 47 VAL N N 15 108.39 0.10 . 1 . . . . . . . . 5187 1 464 . 1 1 48 48 ALA C C 13 178.33 0.00 . 1 . . . . . . . . 5187 1 465 . 1 1 48 48 ALA CA C 13 51.19 0.13 . 1 . . . . . . . . 5187 1 466 . 1 1 48 48 ALA CB C 13 19.75 0.12 . 1 . . . . . . . . 5187 1 467 . 1 1 48 48 ALA H H 1 8.46 0.01 . 1 . . . . . . . . 5187 1 468 . 1 1 48 48 ALA HA H 1 4.30 0.22 . 1 . . . . . . . . 5187 1 469 . 1 1 48 48 ALA HB1 H 1 1.63 0.01 . 1 . . . . . . . . 5187 1 470 . 1 1 48 48 ALA HB2 H 1 1.63 0.01 . 1 . . . . . . . . 5187 1 471 . 1 1 48 48 ALA HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5187 1 472 . 1 1 48 48 ALA N N 15 124.27 0.11 . 1 . . . . . . . . 5187 1 473 . 1 1 49 49 ALA C C 13 180.35 0.00 . 1 . . . . . . . . 5187 1 474 . 1 1 49 49 ALA CA C 13 56.14 0.16 . 1 . . . . . . . . 5187 1 475 . 1 1 49 49 ALA CB C 13 17.43 0.08 . 1 . . . . . . . . 5187 1 476 . 1 1 49 49 ALA H H 1 9.13 0.00 . 1 . . . . . . . . 5187 1 477 . 1 1 49 49 ALA HA H 1 3.76 0.01 . 1 . . . . . . . . 5187 1 478 . 1 1 49 49 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 5187 1 479 . 1 1 49 49 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5187 1 480 . 1 1 49 49 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 5187 1 481 . 1 1 49 49 ALA N N 15 125.90 0.11 . 1 . . . . . . . . 5187 1 482 . 1 1 50 50 LYS C C 13 178.07 0.00 . 1 . . . . . . . . 5187 1 483 . 1 1 50 50 LYS CA C 13 58.89 0.15 . 1 . . . . . . . . 5187 1 484 . 1 1 50 50 LYS CB C 13 31.62 0.03 . 1 . . . . . . . . 5187 1 485 . 1 1 50 50 LYS CD C 13 29.15 0.05 . 1 . . . . . . . . 5187 1 486 . 1 1 50 50 LYS CG C 13 24.47 0.05 . 1 . . . . . . . . 5187 1 487 . 1 1 50 50 LYS H H 1 8.78 0.00 . 1 . . . . . . . . 5187 1 488 . 1 1 50 50 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 5187 1 489 . 1 1 50 50 LYS HB2 H 1 1.80 0.00 . 2 . . . . . . . . 5187 1 490 . 1 1 50 50 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5187 1 491 . 1 1 50 50 LYS HD2 H 1 1.69 0.00 . 2 . . . . . . . . 5187 1 492 . 1 1 50 50 LYS HE2 H 1 2.95 0.01 . 2 . . . . . . . . 5187 1 493 . 1 1 50 50 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 5187 1 494 . 1 1 50 50 LYS N N 15 117.96 0.02 . 1 . . . . . . . . 5187 1 495 . 1 1 51 51 THR C C 13 175.80 0.01 . 1 . . . . . . . . 5187 1 496 . 1 1 51 51 THR CA C 13 65.80 0.07 . 1 . . . . . . . . 5187 1 497 . 1 1 51 51 THR CB C 13 67.94 0.10 . 1 . . . . . . . . 5187 1 498 . 1 1 51 51 THR CG2 C 13 21.48 0.05 . 1 . . . . . . . . 5187 1 499 . 1 1 51 51 THR H H 1 7.06 0.00 . 1 . . . . . . . . 5187 1 500 . 1 1 51 51 THR HA H 1 4.08 0.15 . 1 . . . . . . . . 5187 1 501 . 1 1 51 51 THR HB H 1 4.33 0.21 . 1 . . . . . . . . 5187 1 502 . 1 1 51 51 THR HG21 H 1 1.19 0.01 . 1 . . . . . . . . 5187 1 503 . 1 1 51 51 THR HG22 H 1 1.19 0.01 . 1 . . . . . . . . 5187 1 504 . 1 1 51 51 THR HG23 H 1 1.19 0.01 . 1 . . . . . . . . 5187 1 505 . 1 1 51 51 THR N N 15 119.33 0.10 . 1 . . . . . . . . 5187 1 506 . 1 1 52 52 VAL C C 13 177.32 0.00 . 1 . . . . . . . . 5187 1 507 . 1 1 52 52 VAL CA C 13 67.33 0.14 . 1 . . . . . . . . 5187 1 508 . 1 1 52 52 VAL CB C 13 30.52 0.18 . 1 . . . . . . . . 5187 1 509 . 1 1 52 52 VAL CG1 C 13 23.04 0.05 . 1 . . . . . . . . 5187 1 510 . 1 1 52 52 VAL H H 1 7.43 0.01 . 1 . . . . . . . . 5187 1 511 . 1 1 52 52 VAL HA H 1 3.36 0.00 . 1 . . . . . . . . 5187 1 512 . 1 1 52 52 VAL HB H 1 2.39 0.01 . 1 . . . . . . . . 5187 1 513 . 1 1 52 52 VAL HG11 H 1 0.99 0.00 . 1 . . . . . . . . 5187 1 514 . 1 1 52 52 VAL HG12 H 1 0.99 0.00 . 1 . . . . . . . . 5187 1 515 . 1 1 52 52 VAL HG13 H 1 0.99 0.00 . 1 . . . . . . . . 5187 1 516 . 1 1 52 52 VAL N N 15 122.59 0.10 . 1 . . . . . . . . 5187 1 517 . 1 1 53 53 SER C C 13 177.34 0.02 . 1 . . . . . . . . 5187 1 518 . 1 1 53 53 SER CA C 13 61.93 0.26 . 1 . . . . . . . . 5187 1 519 . 1 1 53 53 SER CB C 13 64.36 0.19 . 1 . . . . . . . . 5187 1 520 . 1 1 53 53 SER H H 1 8.50 0.00 . 1 . . . . . . . . 5187 1 521 . 1 1 53 53 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 5187 1 522 . 1 1 53 53 SER HB3 H 1 4.22 0.02 . 2 . . . . . . . . 5187 1 523 . 1 1 53 53 SER N N 15 116.52 0.11 . 1 . . . . . . . . 5187 1 524 . 1 1 54 54 ARG C C 13 178.10 0.00 . 1 . . . . . . . . 5187 1 525 . 1 1 54 54 ARG CA C 13 58.73 0.19 . 1 . . . . . . . . 5187 1 526 . 1 1 54 54 ARG CB C 13 29.55 0.09 . 1 . . . . . . . . 5187 1 527 . 1 1 54 54 ARG CD C 13 43.08 0.05 . 1 . . . . . . . . 5187 1 528 . 1 1 54 54 ARG CG C 13 26.73 0.05 . 1 . . . . . . . . 5187 1 529 . 1 1 54 54 ARG H H 1 8.00 0.00 . 1 . . . . . . . . 5187 1 530 . 1 1 54 54 ARG HA H 1 4.01 0.00 . 1 . . . . . . . . 5187 1 531 . 1 1 54 54 ARG HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5187 1 532 . 1 1 54 54 ARG HB3 H 1 1.57 0.00 . 2 . . . . . . . . 5187 1 533 . 1 1 54 54 ARG HD2 H 1 2.92 0.01 . 2 . . . . . . . . 5187 1 534 . 1 1 54 54 ARG HD3 H 1 2.67 0.01 . 2 . . . . . . . . 5187 1 535 . 1 1 54 54 ARG HG2 H 1 1.47 0.01 . 2 . . . . . . . . 5187 1 536 . 1 1 54 54 ARG HG3 H 1 1.17 0.01 . 2 . . . . . . . . 5187 1 537 . 1 1 54 54 ARG N N 15 123.58 0.09 . 1 . . . . . . . . 5187 1 538 . 1 1 55 55 ALA C C 13 179.33 0.01 . 1 . . . . . . . . 5187 1 539 . 1 1 55 55 ALA CA C 13 55.23 0.14 . 1 . . . . . . . . 5187 1 540 . 1 1 55 55 ALA CB C 13 19.07 0.11 . 1 . . . . . . . . 5187 1 541 . 1 1 55 55 ALA H H 1 7.95 0.00 . 1 . . . . . . . . 5187 1 542 . 1 1 55 55 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 5187 1 543 . 1 1 55 55 ALA HB1 H 1 1.66 0.01 . 1 . . . . . . . . 5187 1 544 . 1 1 55 55 ALA HB2 H 1 1.66 0.01 . 1 . . . . . . . . 5187 1 545 . 1 1 55 55 ALA HB3 H 1 1.66 0.01 . 1 . . . . . . . . 5187 1 546 . 1 1 55 55 ALA N N 15 123.44 0.10 . 1 . . . . . . . . 5187 1 547 . 1 1 56 56 LEU C C 13 178.94 0.01 . 1 . . . . . . . . 5187 1 548 . 1 1 56 56 LEU CA C 13 57.52 0.17 . 1 . . . . . . . . 5187 1 549 . 1 1 56 56 LEU CB C 13 40.33 0.02 . 1 . . . . . . . . 5187 1 550 . 1 1 56 56 LEU CD1 C 13 21.71 0.05 . 1 . . . . . . . . 5187 1 551 . 1 1 56 56 LEU CG C 13 24.67 0.05 . 1 . . . . . . . . 5187 1 552 . 1 1 56 56 LEU H H 1 8.53 0.00 . 1 . . . . . . . . 5187 1 553 . 1 1 56 56 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 5187 1 554 . 1 1 56 56 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5187 1 555 . 1 1 56 56 LEU HB3 H 1 1.26 0.00 . 2 . . . . . . . . 5187 1 556 . 1 1 56 56 LEU HD11 H 1 0.70 0.01 . 1 . . . . . . . . 5187 1 557 . 1 1 56 56 LEU HD12 H 1 0.70 0.01 . 1 . . . . . . . . 5187 1 558 . 1 1 56 56 LEU HD13 H 1 0.70 0.01 . 1 . . . . . . . . 5187 1 559 . 1 1 56 56 LEU HD21 H 1 0.50 0.00 . 1 . . . . . . . . 5187 1 560 . 1 1 56 56 LEU HD22 H 1 0.50 0.00 . 1 . . . . . . . . 5187 1 561 . 1 1 56 56 LEU HD23 H 1 0.50 0.00 . 1 . . . . . . . . 5187 1 562 . 1 1 56 56 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 5187 1 563 . 1 1 56 56 LEU N N 15 118.08 0.10 . 1 . . . . . . . . 5187 1 564 . 1 1 57 57 ALA C C 13 181.13 0.00 . 1 . . . . . . . . 5187 1 565 . 1 1 57 57 ALA CA C 13 55.05 0.04 . 1 . . . . . . . . 5187 1 566 . 1 1 57 57 ALA CB C 13 17.49 0.05 . 1 . . . . . . . . 5187 1 567 . 1 1 57 57 ALA H H 1 7.99 0.00 . 1 . . . . . . . . 5187 1 568 . 1 1 57 57 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 5187 1 569 . 1 1 57 57 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5187 1 570 . 1 1 57 57 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5187 1 571 . 1 1 57 57 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5187 1 572 . 1 1 57 57 ALA N N 15 124.07 0.10 . 1 . . . . . . . . 5187 1 573 . 1 1 58 58 VAL C C 13 178.73 0.00 . 1 . . . . . . . . 5187 1 574 . 1 1 58 58 VAL CA C 13 66.28 0.05 . 1 . . . . . . . . 5187 1 575 . 1 1 58 58 VAL CB C 13 31.35 0.02 . 1 . . . . . . . . 5187 1 576 . 1 1 58 58 VAL CG1 C 13 22.26 0.05 . 1 . . . . . . . . 5187 1 577 . 1 1 58 58 VAL CG2 C 13 21.04 0.05 . 1 . . . . . . . . 5187 1 578 . 1 1 58 58 VAL H H 1 7.83 0.00 . 1 . . . . . . . . 5187 1 579 . 1 1 58 58 VAL HA H 1 3.77 0.01 . 1 . . . . . . . . 5187 1 580 . 1 1 58 58 VAL HB H 1 2.42 0.01 . 1 . . . . . . . . 5187 1 581 . 1 1 58 58 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 5187 1 582 . 1 1 58 58 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 5187 1 583 . 1 1 58 58 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 5187 1 584 . 1 1 58 58 VAL HG21 H 1 1.19 0.01 . 1 . . . . . . . . 5187 1 585 . 1 1 58 58 VAL HG22 H 1 1.19 0.01 . 1 . . . . . . . . 5187 1 586 . 1 1 58 58 VAL HG23 H 1 1.19 0.01 . 1 . . . . . . . . 5187 1 587 . 1 1 58 58 VAL N N 15 122.88 0.12 . 1 . . . . . . . . 5187 1 588 . 1 1 59 59 LEU C C 13 179.36 0.00 . 1 . . . . . . . . 5187 1 589 . 1 1 59 59 LEU CA C 13 57.59 0.17 . 1 . . . . . . . . 5187 1 590 . 1 1 59 59 LEU CB C 13 42.31 0.12 . 1 . . . . . . . . 5187 1 591 . 1 1 59 59 LEU CD1 C 13 24.54 0.05 . 1 . . . . . . . . 5187 1 592 . 1 1 59 59 LEU CG C 13 29.05 0.05 . 1 . . . . . . . . 5187 1 593 . 1 1 59 59 LEU H H 1 7.58 0.00 . 1 . . . . . . . . 5187 1 594 . 1 1 59 59 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . 5187 1 595 . 1 1 59 59 LEU HB2 H 1 1.23 0.01 . 2 . . . . . . . . 5187 1 596 . 1 1 59 59 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 5187 1 597 . 1 1 59 59 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 5187 1 598 . 1 1 59 59 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 5187 1 599 . 1 1 59 59 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 5187 1 600 . 1 1 59 59 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 5187 1 601 . 1 1 59 59 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 5187 1 602 . 1 1 59 59 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 5187 1 603 . 1 1 59 59 LEU N N 15 120.34 0.10 . 1 . . . . . . . . 5187 1 604 . 1 1 60 60 LYS C C 13 180.93 0.00 . 1 . . . . . . . . 5187 1 605 . 1 1 60 60 LYS CA C 13 59.17 0.16 . 1 . . . . . . . . 5187 1 606 . 1 1 60 60 LYS CB C 13 32.26 0.06 . 1 . . . . . . . . 5187 1 607 . 1 1 60 60 LYS CD C 13 29.25 0.05 . 1 . . . . . . . . 5187 1 608 . 1 1 60 60 LYS CG C 13 25.21 0.05 . 1 . . . . . . . . 5187 1 609 . 1 1 60 60 LYS H H 1 8.47 0.00 . 1 . . . . . . . . 5187 1 610 . 1 1 60 60 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5187 1 611 . 1 1 60 60 LYS HB2 H 1 1.91 0.09 . 2 . . . . . . . . 5187 1 612 . 1 1 60 60 LYS HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5187 1 613 . 1 1 60 60 LYS HD2 H 1 1.69 0.02 . 2 . . . . . . . . 5187 1 614 . 1 1 60 60 LYS HE2 H 1 2.87 0.01 . 2 . . . . . . . . 5187 1 615 . 1 1 60 60 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5187 1 616 . 1 1 60 60 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 5187 1 617 . 1 1 60 60 LYS N N 15 123.05 0.12 . 1 . . . . . . . . 5187 1 618 . 1 1 61 61 SER C C 13 175.78 0.01 . 1 . . . . . . . . 5187 1 619 . 1 1 61 61 SER CA C 13 61.56 0.13 . 1 . . . . . . . . 5187 1 620 . 1 1 61 61 SER CB C 13 62.49 0.10 . 1 . . . . . . . . 5187 1 621 . 1 1 61 61 SER H H 1 8.39 0.00 . 1 . . . . . . . . 5187 1 622 . 1 1 61 61 SER HA H 1 4.32 0.01 . 1 . . . . . . . . 5187 1 623 . 1 1 61 61 SER HB2 H 1 4.12 0.03 . 2 . . . . . . . . 5187 1 624 . 1 1 61 61 SER N N 15 121.02 0.12 . 1 . . . . . . . . 5187 1 625 . 1 1 62 62 GLU C C 13 176.46 0.00 . 1 . . . . . . . . 5187 1 626 . 1 1 62 62 GLU CA C 13 56.44 0.16 . 1 . . . . . . . . 5187 1 627 . 1 1 62 62 GLU CB C 13 30.60 0.11 . 1 . . . . . . . . 5187 1 628 . 1 1 62 62 GLU CG C 13 36.34 0.05 . 1 . . . . . . . . 5187 1 629 . 1 1 62 62 GLU H H 1 7.57 0.00 . 1 . . . . . . . . 5187 1 630 . 1 1 62 62 GLU HA H 1 4.27 0.00 . 1 . . . . . . . . 5187 1 631 . 1 1 62 62 GLU HB2 H 1 2.26 0.01 . 2 . . . . . . . . 5187 1 632 . 1 1 62 62 GLU HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5187 1 633 . 1 1 62 62 GLU HG2 H 1 2.61 0.00 . 2 . . . . . . . . 5187 1 634 . 1 1 62 62 GLU HG3 H 1 2.53 0.02 . 2 . . . . . . . . 5187 1 635 . 1 1 62 62 GLU N N 15 121.17 0.11 . 1 . . . . . . . . 5187 1 636 . 1 1 63 63 GLY C C 13 174.52 0.00 . 1 . . . . . . . . 5187 1 637 . 1 1 63 63 GLY CA C 13 45.22 0.08 . 1 . . . . . . . . 5187 1 638 . 1 1 63 63 GLY H H 1 8.09 0.00 . 1 . . . . . . . . 5187 1 639 . 1 1 63 63 GLY HA2 H 1 3.93 0.00 . 2 . . . . . . . . 5187 1 640 . 1 1 63 63 GLY HA3 H 1 4.13 0.01 . 2 . . . . . . . . 5187 1 641 . 1 1 63 63 GLY N N 15 109.23 0.10 . 1 . . . . . . . . 5187 1 642 . 1 1 64 64 LEU C C 13 177.52 0.01 . 1 . . . . . . . . 5187 1 643 . 1 1 64 64 LEU CA C 13 55.97 0.19 . 1 . . . . . . . . 5187 1 644 . 1 1 64 64 LEU CB C 13 43.81 0.03 . 1 . . . . . . . . 5187 1 645 . 1 1 64 64 LEU CD1 C 13 22.33 0.05 . 1 . . . . . . . . 5187 1 646 . 1 1 64 64 LEU CG C 13 26.77 0.05 . 1 . . . . . . . . 5187 1 647 . 1 1 64 64 LEU H H 1 7.76 0.00 . 1 . . . . . . . . 5187 1 648 . 1 1 64 64 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 5187 1 649 . 1 1 64 64 LEU HB2 H 1 1.68 0.00 . 2 . . . . . . . . 5187 1 650 . 1 1 64 64 LEU HD11 H 1 1.05 0.00 . 1 . . . . . . . . 5187 1 651 . 1 1 64 64 LEU HD12 H 1 1.05 0.00 . 1 . . . . . . . . 5187 1 652 . 1 1 64 64 LEU HD13 H 1 1.05 0.00 . 1 . . . . . . . . 5187 1 653 . 1 1 64 64 LEU HD21 H 1 0.87 0.01 . 1 . . . . . . . . 5187 1 654 . 1 1 64 64 LEU HD22 H 1 0.87 0.01 . 1 . . . . . . . . 5187 1 655 . 1 1 64 64 LEU HD23 H 1 0.87 0.01 . 1 . . . . . . . . 5187 1 656 . 1 1 64 64 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5187 1 657 . 1 1 64 64 LEU N N 15 116.71 0.14 . 1 . . . . . . . . 5187 1 658 . 1 1 65 65 VAL C C 13 173.95 0.00 . 1 . . . . . . . . 5187 1 659 . 1 1 65 65 VAL CA C 13 56.78 0.17 . 1 . . . . . . . . 5187 1 660 . 1 1 65 65 VAL CB C 13 35.61 0.04 . 1 . . . . . . . . 5187 1 661 . 1 1 65 65 VAL CG1 C 13 21.65 0.05 . 1 . . . . . . . . 5187 1 662 . 1 1 65 65 VAL CG2 C 13 18.75 0.05 . 1 . . . . . . . . 5187 1 663 . 1 1 65 65 VAL H H 1 6.90 0.00 . 1 . . . . . . . . 5187 1 664 . 1 1 65 65 VAL HA H 1 5.40 0.01 . 1 . . . . . . . . 5187 1 665 . 1 1 65 65 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 5187 1 666 . 1 1 65 65 VAL HG11 H 1 0.65 0.02 . 1 . . . . . . . . 5187 1 667 . 1 1 65 65 VAL HG12 H 1 0.65 0.02 . 1 . . . . . . . . 5187 1 668 . 1 1 65 65 VAL HG13 H 1 0.65 0.02 . 1 . . . . . . . . 5187 1 669 . 1 1 65 65 VAL HG21 H 1 0.40 0.01 . 1 . . . . . . . . 5187 1 670 . 1 1 65 65 VAL HG22 H 1 0.40 0.01 . 1 . . . . . . . . 5187 1 671 . 1 1 65 65 VAL HG23 H 1 0.40 0.01 . 1 . . . . . . . . 5187 1 672 . 1 1 65 65 VAL N N 15 107.39 0.10 . 1 . . . . . . . . 5187 1 673 . 1 1 66 66 SER C C 13 173.16 0.02 . 1 . . . . . . . . 5187 1 674 . 1 1 66 66 SER CA C 13 56.85 0.15 . 1 . . . . . . . . 5187 1 675 . 1 1 66 66 SER CB C 13 65.26 0.01 . 1 . . . . . . . . 5187 1 676 . 1 1 66 66 SER H H 1 9.08 0.00 . 1 . . . . . . . . 5187 1 677 . 1 1 66 66 SER HA H 1 4.61 0.00 . 1 . . . . . . . . 5187 1 678 . 1 1 66 66 SER HB2 H 1 3.72 0.01 . 2 . . . . . . . . 5187 1 679 . 1 1 66 66 SER HB3 H 1 3.77 0.02 . 2 . . . . . . . . 5187 1 680 . 1 1 66 66 SER N N 15 115.99 0.10 . 1 . . . . . . . . 5187 1 681 . 1 1 67 67 SER C C 13 174.82 0.02 . 1 . . . . . . . . 5187 1 682 . 1 1 67 67 SER CA C 13 58.10 0.04 . 1 . . . . . . . . 5187 1 683 . 1 1 67 67 SER CB C 13 63.64 0.07 . 1 . . . . . . . . 5187 1 684 . 1 1 67 67 SER H H 1 8.82 0.01 . 1 . . . . . . . . 5187 1 685 . 1 1 67 67 SER HA H 1 4.77 0.00 . 1 . . . . . . . . 5187 1 686 . 1 1 67 67 SER HB2 H 1 3.86 0.06 . 2 . . . . . . . . 5187 1 687 . 1 1 67 67 SER HB3 H 1 3.81 0.08 . 2 . . . . . . . . 5187 1 688 . 1 1 67 67 SER N N 15 119.05 0.09 . 1 . . . . . . . . 5187 1 689 . 1 1 68 68 ARG C C 13 176.62 0.00 . 1 . . . . . . . . 5187 1 690 . 1 1 68 68 ARG CA C 13 53.85 0.18 . 1 . . . . . . . . 5187 1 691 . 1 1 68 68 ARG CB C 13 30.19 0.03 . 1 . . . . . . . . 5187 1 692 . 1 1 68 68 ARG CD C 13 42.99 0.05 . 1 . . . . . . . . 5187 1 693 . 1 1 68 68 ARG CG C 13 26.35 0.05 . 1 . . . . . . . . 5187 1 694 . 1 1 68 68 ARG H H 1 8.66 0.01 . 1 . . . . . . . . 5187 1 695 . 1 1 68 68 ARG HA H 1 4.64 0.00 . 1 . . . . . . . . 5187 1 696 . 1 1 68 68 ARG HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5187 1 697 . 1 1 68 68 ARG HB3 H 1 1.53 0.01 . 2 . . . . . . . . 5187 1 698 . 1 1 68 68 ARG HD2 H 1 3.14 0.01 . 2 . . . . . . . . 5187 1 699 . 1 1 68 68 ARG HD3 H 1 3.04 0.01 . 2 . . . . . . . . 5187 1 700 . 1 1 68 68 ARG HG2 H 1 1.33 0.02 . 2 . . . . . . . . 5187 1 701 . 1 1 68 68 ARG HG3 H 1 1.02 0.02 . 2 . . . . . . . . 5187 1 702 . 1 1 68 68 ARG N N 15 128.56 0.10 . 1 . . . . . . . . 5187 1 703 . 1 1 69 69 GLY C C 13 175.66 0.05 . 1 . . . . . . . . 5187 1 704 . 1 1 69 69 GLY CA C 13 46.23 0.10 . 1 . . . . . . . . 5187 1 705 . 1 1 69 69 GLY H H 1 8.30 0.00 . 1 . . . . . . . . 5187 1 706 . 1 1 69 69 GLY HA2 H 1 3.80 0.10 . 2 . . . . . . . . 5187 1 707 . 1 1 69 69 GLY HA3 H 1 3.94 0.01 . 2 . . . . . . . . 5187 1 708 . 1 1 69 69 GLY N N 15 113.35 0.09 . 1 . . . . . . . . 5187 1 709 . 1 1 70 70 ALA C C 13 178.28 0.01 . 1 . . . . . . . . 5187 1 710 . 1 1 70 70 ALA CA C 13 53.65 0.06 . 1 . . . . . . . . 5187 1 711 . 1 1 70 70 ALA CB C 13 18.29 0.13 . 1 . . . . . . . . 5187 1 712 . 1 1 70 70 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 5187 1 713 . 1 1 70 70 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 5187 1 714 . 1 1 70 70 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5187 1 715 . 1 1 70 70 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5187 1 716 . 1 1 71 71 LEU C C 13 177.08 0.01 . 1 . . . . . . . . 5187 1 717 . 1 1 71 71 LEU CA C 13 55.12 0.12 . 1 . . . . . . . . 5187 1 718 . 1 1 71 71 LEU CB C 13 41.71 0.02 . 1 . . . . . . . . 5187 1 719 . 1 1 71 71 LEU CD1 C 13 24.68 0.05 . 1 . . . . . . . . 5187 1 720 . 1 1 71 71 LEU CD2 C 13 22.67 0.05 . 1 . . . . . . . . 5187 1 721 . 1 1 71 71 LEU CG C 13 26.81 0.09 . 1 . . . . . . . . 5187 1 722 . 1 1 71 71 LEU H H 1 7.80 0.00 . 1 . . . . . . . . 5187 1 723 . 1 1 71 71 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5187 1 724 . 1 1 71 71 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 5187 1 725 . 1 1 71 71 LEU HB3 H 1 1.72 0.04 . 2 . . . . . . . . 5187 1 726 . 1 1 71 71 LEU HD11 H 1 0.91 0.00 . 1 . . . . . . . . 5187 1 727 . 1 1 71 71 LEU HD12 H 1 0.91 0.00 . 1 . . . . . . . . 5187 1 728 . 1 1 71 71 LEU HD13 H 1 0.91 0.00 . 1 . . . . . . . . 5187 1 729 . 1 1 71 71 LEU HD21 H 1 0.86 0.00 . 1 . . . . . . . . 5187 1 730 . 1 1 71 71 LEU HD22 H 1 0.86 0.00 . 1 . . . . . . . . 5187 1 731 . 1 1 71 71 LEU HD23 H 1 0.86 0.00 . 1 . . . . . . . . 5187 1 732 . 1 1 71 71 LEU HG H 1 1.60 0.00 . 1 . . . . . . . . 5187 1 733 . 1 1 71 71 LEU N N 15 118.28 0.10 . 1 . . . . . . . . 5187 1 734 . 1 1 72 72 GLY C C 13 172.67 0.00 . 1 . . . . . . . . 5187 1 735 . 1 1 72 72 GLY CA C 13 44.30 0.02 . 1 . . . . . . . . 5187 1 736 . 1 1 72 72 GLY H H 1 7.53 0.00 . 1 . . . . . . . . 5187 1 737 . 1 1 72 72 GLY HA2 H 1 3.71 0.01 . 2 . . . . . . . . 5187 1 738 . 1 1 72 72 GLY HA3 H 1 4.25 0.01 . 2 . . . . . . . . 5187 1 739 . 1 1 72 72 GLY N N 15 107.86 0.14 . 1 . . . . . . . . 5187 1 740 . 1 1 73 73 THR C C 13 173.00 0.00 . 1 . . . . . . . . 5187 1 741 . 1 1 73 73 THR CA C 13 62.25 0.17 . 1 . . . . . . . . 5187 1 742 . 1 1 73 73 THR CB C 13 69.03 0.03 . 1 . . . . . . . . 5187 1 743 . 1 1 73 73 THR CG2 C 13 22.00 0.11 . 1 . . . . . . . . 5187 1 744 . 1 1 73 73 THR H H 1 8.56 0.01 . 1 . . . . . . . . 5187 1 745 . 1 1 73 73 THR HA H 1 4.73 0.00 . 1 . . . . . . . . 5187 1 746 . 1 1 73 73 THR HB H 1 3.76 0.01 . 1 . . . . . . . . 5187 1 747 . 1 1 73 73 THR HG21 H 1 0.94 0.00 . 1 . . . . . . . . 5187 1 748 . 1 1 73 73 THR HG22 H 1 0.94 0.00 . 1 . . . . . . . . 5187 1 749 . 1 1 73 73 THR HG23 H 1 0.94 0.00 . 1 . . . . . . . . 5187 1 750 . 1 1 73 73 THR N N 15 121.54 0.10 . 1 . . . . . . . . 5187 1 751 . 1 1 74 74 VAL C C 13 175.19 0.00 . 1 . . . . . . . . 5187 1 752 . 1 1 74 74 VAL CA C 13 58.99 0.19 . 1 . . . . . . . . 5187 1 753 . 1 1 74 74 VAL CB C 13 35.38 0.03 . 1 . . . . . . . . 5187 1 754 . 1 1 74 74 VAL CG1 C 13 20.51 0.05 . 1 . . . . . . . . 5187 1 755 . 1 1 74 74 VAL H H 1 8.72 0.00 . 1 . . . . . . . . 5187 1 756 . 1 1 74 74 VAL HA H 1 4.96 0.01 . 1 . . . . . . . . 5187 1 757 . 1 1 74 74 VAL HB H 1 1.68 0.01 . 1 . . . . . . . . 5187 1 758 . 1 1 74 74 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 5187 1 759 . 1 1 74 74 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 5187 1 760 . 1 1 74 74 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 5187 1 761 . 1 1 74 74 VAL HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5187 1 762 . 1 1 74 74 VAL HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5187 1 763 . 1 1 74 74 VAL HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5187 1 764 . 1 1 74 74 VAL N N 15 125.28 0.11 . 1 . . . . . . . . 5187 1 765 . 1 1 75 75 VAL C C 13 177.16 0.00 . 1 . . . . . . . . 5187 1 766 . 1 1 75 75 VAL CA C 13 63.41 0.15 . 1 . . . . . . . . 5187 1 767 . 1 1 75 75 VAL CB C 13 31.37 0.01 . 1 . . . . . . . . 5187 1 768 . 1 1 75 75 VAL CG1 C 13 21.34 0.05 . 1 . . . . . . . . 5187 1 769 . 1 1 75 75 VAL H H 1 8.52 0.00 . 1 . . . . . . . . 5187 1 770 . 1 1 75 75 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 5187 1 771 . 1 1 75 75 VAL HB H 1 2.22 0.00 . 1 . . . . . . . . 5187 1 772 . 1 1 75 75 VAL HG11 H 1 0.83 0.01 . 1 . . . . . . . . 5187 1 773 . 1 1 75 75 VAL HG12 H 1 0.83 0.01 . 1 . . . . . . . . 5187 1 774 . 1 1 75 75 VAL HG13 H 1 0.83 0.01 . 1 . . . . . . . . 5187 1 775 . 1 1 75 75 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 5187 1 776 . 1 1 75 75 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 5187 1 777 . 1 1 75 75 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 5187 1 778 . 1 1 75 75 VAL N N 15 125.85 0.11 . 1 . . . . . . . . 5187 1 779 . 1 1 76 76 GLU C C 13 175.34 0.00 . 1 . . . . . . . . 5187 1 780 . 1 1 76 76 GLU CA C 13 55.87 0.01 . 1 . . . . . . . . 5187 1 781 . 1 1 76 76 GLU CB C 13 31.32 0.07 . 1 . . . . . . . . 5187 1 782 . 1 1 76 76 GLU CG C 13 35.17 0.17 . 1 . . . . . . . . 5187 1 783 . 1 1 76 76 GLU H H 1 8.23 0.00 . 1 . . . . . . . . 5187 1 784 . 1 1 76 76 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 5187 1 785 . 1 1 76 76 GLU HB2 H 1 1.57 0.00 . 2 . . . . . . . . 5187 1 786 . 1 1 76 76 GLU HB3 H 1 1.99 0.00 . 2 . . . . . . . . 5187 1 787 . 1 1 76 76 GLU HG2 H 1 2.12 0.00 . 2 . . . . . . . . 5187 1 788 . 1 1 76 76 GLU HG3 H 1 1.98 0.03 . 2 . . . . . . . . 5187 1 789 . 1 1 76 76 GLU N N 15 132.10 0.11 . 1 . . . . . . . . 5187 1 790 . 1 1 77 77 LYS C C 13 175.48 0.01 . 1 . . . . . . . . 5187 1 791 . 1 1 77 77 LYS CA C 13 56.11 0.20 . 1 . . . . . . . . 5187 1 792 . 1 1 77 77 LYS CB C 13 32.87 0.11 . 1 . . . . . . . . 5187 1 793 . 1 1 77 77 LYS CD C 13 28.90 0.05 . 1 . . . . . . . . 5187 1 794 . 1 1 77 77 LYS CG C 13 24.48 0.05 . 1 . . . . . . . . 5187 1 795 . 1 1 77 77 LYS H H 1 8.24 0.00 . 1 . . . . . . . . 5187 1 796 . 1 1 77 77 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 5187 1 797 . 1 1 77 77 LYS HB2 H 1 1.77 0.07 . 2 . . . . . . . . 5187 1 798 . 1 1 77 77 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5187 1 799 . 1 1 77 77 LYS HD2 H 1 1.67 0.00 . 1 . . . . . . . . 5187 1 800 . 1 1 77 77 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5187 1 801 . 1 1 77 77 LYS HE2 H 1 2.98 0.01 . 2 . . . . . . . . 5187 1 802 . 1 1 77 77 LYS HG3 H 1 1.41 0.02 . 2 . . . . . . . . 5187 1 803 . 1 1 77 77 LYS N N 15 121.56 0.10 . 1 . . . . . . . . 5187 1 804 . 1 1 78 78 ASN C C 13 173.09 0.05 . 1 . . . . . . . . 5187 1 805 . 1 1 78 78 ASN CA C 13 51.13 0.03 . 1 . . . . . . . . 5187 1 806 . 1 1 78 78 ASN CB C 13 38.90 0.05 . 1 . . . . . . . . 5187 1 807 . 1 1 78 78 ASN H H 1 8.49 0.00 . 1 . . . . . . . . 5187 1 808 . 1 1 78 78 ASN HA H 1 4.95 0.00 . 1 . . . . . . . . 5187 1 809 . 1 1 78 78 ASN HB2 H 1 2.80 0.00 . 2 . . . . . . . . 5187 1 810 . 1 1 78 78 ASN HB3 H 1 2.65 0.01 . 2 . . . . . . . . 5187 1 811 . 1 1 78 78 ASN N N 15 122.64 0.08 . 1 . . . . . . . . 5187 1 812 . 1 1 79 79 PRO C C 13 176.56 0.00 . 1 . . . . . . . . 5187 1 813 . 1 1 79 79 PRO CA C 13 63.08 0.13 . 1 . . . . . . . . 5187 1 814 . 1 1 79 79 PRO CB C 13 31.99 0.09 . 1 . . . . . . . . 5187 1 815 . 1 1 79 79 PRO CD C 13 50.34 0.04 . 1 . . . . . . . . 5187 1 816 . 1 1 79 79 PRO CG C 13 26.77 0.05 . 1 . . . . . . . . 5187 1 817 . 1 1 79 79 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 5187 1 818 . 1 1 79 79 PRO HB2 H 1 2.21 0.01 . 2 . . . . . . . . 5187 1 819 . 1 1 79 79 PRO HB3 H 1 1.93 0.03 . 2 . . . . . . . . 5187 1 820 . 1 1 79 79 PRO HD2 H 1 3.76 0.05 . 2 . . . . . . . . 5187 1 821 . 1 1 79 79 PRO HD3 H 1 3.64 0.01 . 2 . . . . . . . . 5187 1 822 . 1 1 79 79 PRO HG2 H 1 1.83 0.00 . 2 . . . . . . . . 5187 1 823 . 1 1 80 80 ILE C C 13 175.92 0.00 . 1 . . . . . . . . 5187 1 824 . 1 1 80 80 ILE CA C 13 61.13 0.36 . 1 . . . . . . . . 5187 1 825 . 1 1 80 80 ILE CB C 13 38.22 0.07 . 1 . . . . . . . . 5187 1 826 . 1 1 80 80 ILE CD1 C 13 12.45 0.05 . 1 . . . . . . . . 5187 1 827 . 1 1 80 80 ILE CG1 C 13 27.16 0.05 . 1 . . . . . . . . 5187 1 828 . 1 1 80 80 ILE CG2 C 13 17.20 0.05 . 1 . . . . . . . . 5187 1 829 . 1 1 80 80 ILE H H 1 8.07 0.00 . 1 . . . . . . . . 5187 1 830 . 1 1 80 80 ILE HA H 1 4.12 0.00 . 1 . . . . . . . . 5187 1 831 . 1 1 80 80 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 5187 1 832 . 1 1 80 80 ILE HD11 H 1 0.86 0.00 . 1 . . . . . . . . 5187 1 833 . 1 1 80 80 ILE HD12 H 1 0.86 0.00 . 1 . . . . . . . . 5187 1 834 . 1 1 80 80 ILE HD13 H 1 0.86 0.00 . 1 . . . . . . . . 5187 1 835 . 1 1 80 80 ILE HG12 H 1 1.48 0.00 . 2 . . . . . . . . 5187 1 836 . 1 1 80 80 ILE HG13 H 1 1.19 0.01 . 2 . . . . . . . . 5187 1 837 . 1 1 80 80 ILE N N 15 122.37 0.10 . 1 . . . . . . . . 5187 1 838 . 1 1 81 81 VAL C C 13 175.76 0.00 . 1 . . . . . . . . 5187 1 839 . 1 1 81 81 VAL CA C 13 62.12 0.14 . 1 . . . . . . . . 5187 1 840 . 1 1 81 81 VAL CB C 13 32.61 0.14 . 1 . . . . . . . . 5187 1 841 . 1 1 81 81 VAL CG1 C 13 20.85 0.05 . 1 . . . . . . . . 5187 1 842 . 1 1 81 81 VAL H H 1 8.06 0.00 . 1 . . . . . . . . 5187 1 843 . 1 1 81 81 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 5187 1 844 . 1 1 81 81 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5187 1 845 . 1 1 81 81 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 846 . 1 1 81 81 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 847 . 1 1 81 81 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 848 . 1 1 81 81 VAL N N 15 126.13 0.11 . 1 . . . . . . . . 5187 1 849 . 1 1 82 82 ILE C C 13 176.27 0.00 . 1 . . . . . . . . 5187 1 850 . 1 1 82 82 ILE CA C 13 60.61 0.05 . 1 . . . . . . . . 5187 1 851 . 1 1 82 82 ILE CB C 13 38.24 0.07 . 1 . . . . . . . . 5187 1 852 . 1 1 82 82 ILE CD1 C 13 12.25 0.05 . 1 . . . . . . . . 5187 1 853 . 1 1 82 82 ILE CG1 C 13 26.85 0.05 . 1 . . . . . . . . 5187 1 854 . 1 1 82 82 ILE CG2 C 13 16.96 0.05 . 1 . . . . . . . . 5187 1 855 . 1 1 82 82 ILE H H 1 8.27 0.00 . 1 . . . . . . . . 5187 1 856 . 1 1 82 82 ILE HA H 1 4.26 0.01 . 1 . . . . . . . . 5187 1 857 . 1 1 82 82 ILE HB H 1 1.87 0.01 . 1 . . . . . . . . 5187 1 858 . 1 1 82 82 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5187 1 859 . 1 1 82 82 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5187 1 860 . 1 1 82 82 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5187 1 861 . 1 1 82 82 ILE HG12 H 1 1.47 0.02 . 2 . . . . . . . . 5187 1 862 . 1 1 82 82 ILE HG13 H 1 1.19 0.02 . 2 . . . . . . . . 5187 1 863 . 1 1 82 82 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5187 1 864 . 1 1 82 82 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5187 1 865 . 1 1 82 82 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5187 1 866 . 1 1 82 82 ILE N N 15 127.34 0.10 . 1 . . . . . . . . 5187 1 867 . 1 1 83 83 THR C C 13 174.95 0.01 . 1 . . . . . . . . 5187 1 868 . 1 1 83 83 THR CA C 13 61.60 0.07 . 1 . . . . . . . . 5187 1 869 . 1 1 83 83 THR CB C 13 69.76 0.06 . 1 . . . . . . . . 5187 1 870 . 1 1 83 83 THR CG2 C 13 21.17 0.05 . 1 . . . . . . . . 5187 1 871 . 1 1 83 83 THR H H 1 8.28 0.00 . 1 . . . . . . . . 5187 1 872 . 1 1 83 83 THR HA H 1 4.38 0.00 . 1 . . . . . . . . 5187 1 873 . 1 1 83 83 THR HB H 1 4.22 0.01 . 1 . . . . . . . . 5187 1 874 . 1 1 83 83 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5187 1 875 . 1 1 83 83 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5187 1 876 . 1 1 83 83 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5187 1 877 . 1 1 83 83 THR N N 15 120.22 0.19 . 1 . . . . . . . . 5187 1 878 . 1 1 84 84 GLY C C 13 174.21 0.00 . 1 . . . . . . . . 5187 1 879 . 1 1 84 84 GLY CA C 13 45.19 0.16 . 1 . . . . . . . . 5187 1 880 . 1 1 84 84 GLY H H 1 8.45 0.01 . 1 . . . . . . . . 5187 1 881 . 1 1 84 84 GLY HA2 H 1 3.95 0.00 . 2 . . . . . . . . 5187 1 882 . 1 1 84 84 GLY N N 15 112.93 0.11 . 1 . . . . . . . . 5187 1 883 . 1 1 85 85 ALA C C 13 177.68 0.00 . 1 . . . . . . . . 5187 1 884 . 1 1 85 85 ALA CA C 13 52.78 0.03 . 1 . . . . . . . . 5187 1 885 . 1 1 85 85 ALA CB C 13 18.88 0.07 . 1 . . . . . . . . 5187 1 886 . 1 1 85 85 ALA H H 1 8.19 0.00 . 1 . . . . . . . . 5187 1 887 . 1 1 85 85 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 5187 1 888 . 1 1 85 85 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 5187 1 889 . 1 1 85 85 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 5187 1 890 . 1 1 85 85 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 5187 1 891 . 1 1 85 85 ALA N N 15 125.46 0.11 . 1 . . . . . . . . 5187 1 892 . 1 1 86 86 ASP C C 13 176.42 0.00 . 1 . . . . . . . . 5187 1 893 . 1 1 86 86 ASP CA C 13 54.49 0.04 . 1 . . . . . . . . 5187 1 894 . 1 1 86 86 ASP CB C 13 40.80 0.08 . 1 . . . . . . . . 5187 1 895 . 1 1 86 86 ASP H H 1 8.31 0.00 . 1 . . . . . . . . 5187 1 896 . 1 1 86 86 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . 5187 1 897 . 1 1 86 86 ASP HB2 H 1 2.67 0.01 . 2 . . . . . . . . 5187 1 898 . 1 1 86 86 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 5187 1 899 . 1 1 86 86 ASP N N 15 120.35 0.11 . 1 . . . . . . . . 5187 1 900 . 1 1 87 87 ARG C C 13 176.39 0.38 . 1 . . . . . . . . 5187 1 901 . 1 1 87 87 ARG CA C 13 56.87 0.07 . 1 . . . . . . . . 5187 1 902 . 1 1 87 87 ARG CB C 13 30.32 0.16 . 1 . . . . . . . . 5187 1 903 . 1 1 87 87 ARG CD C 13 42.79 0.05 . 1 . . . . . . . . 5187 1 904 . 1 1 87 87 ARG CG C 13 26.83 0.05 . 1 . . . . . . . . 5187 1 905 . 1 1 87 87 ARG H H 1 8.05 0.00 . 1 . . . . . . . . 5187 1 906 . 1 1 87 87 ARG HA H 1 4.22 0.07 . 1 . . . . . . . . 5187 1 907 . 1 1 87 87 ARG HB2 H 1 1.85 0.03 . 2 . . . . . . . . 5187 1 908 . 1 1 87 87 ARG HB3 H 1 1.77 0.00 . 2 . . . . . . . . 5187 1 909 . 1 1 87 87 ARG HD2 H 1 3.19 0.02 . 2 . . . . . . . . 5187 1 910 . 1 1 87 87 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 5187 1 911 . 1 1 87 87 ARG N N 15 122.18 0.10 . 1 . . . . . . . . 5187 1 912 . 1 1 88 88 LEU C C 13 177.58 0.01 . 1 . . . . . . . . 5187 1 913 . 1 1 88 88 LEU CA C 13 55.52 0.01 . 1 . . . . . . . . 5187 1 914 . 1 1 88 88 LEU CB C 13 41.52 0.21 . 1 . . . . . . . . 5187 1 915 . 1 1 88 88 LEU CD1 C 13 22.97 0.05 . 1 . . . . . . . . 5187 1 916 . 1 1 88 88 LEU CG C 13 24.65 0.05 . 1 . . . . . . . . 5187 1 917 . 1 1 88 88 LEU H H 1 7.99 0.00 . 1 . . . . . . . . 5187 1 918 . 1 1 88 88 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 5187 1 919 . 1 1 88 88 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 5187 1 920 . 1 1 88 88 LEU HB3 H 1 1.68 0.01 . 2 . . . . . . . . 5187 1 921 . 1 1 88 88 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5187 1 922 . 1 1 88 88 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5187 1 923 . 1 1 88 88 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5187 1 924 . 1 1 88 88 LEU HG H 1 0.92 0.02 . 1 . . . . . . . . 5187 1 925 . 1 1 88 88 LEU N N 15 122.60 0.11 . 1 . . . . . . . . 5187 1 926 . 1 1 89 89 LYS C C 13 176.58 0.01 . 1 . . . . . . . . 5187 1 927 . 1 1 89 89 LYS CA C 13 62.72 0.02 . 1 . . . . . . . . 5187 1 928 . 1 1 89 89 LYS CB C 13 32.10 0.29 . 1 . . . . . . . . 5187 1 929 . 1 1 89 89 LYS CD C 13 26.59 0.05 . 1 . . . . . . . . 5187 1 930 . 1 1 89 89 LYS CG C 13 24.75 0.05 . 1 . . . . . . . . 5187 1 931 . 1 1 89 89 LYS H H 1 7.99 0.00 . 1 . . . . . . . . 5187 1 932 . 1 1 89 89 LYS HA H 1 4.46 0.01 . 1 . . . . . . . . 5187 1 933 . 1 1 89 89 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5187 1 934 . 1 1 89 89 LYS HB3 H 1 2.28 0.01 . 2 . . . . . . . . 5187 1 935 . 1 1 89 89 LYS HD2 H 1 2.00 0.00 . 2 . . . . . . . . 5187 1 936 . 1 1 89 89 LYS HE2 H 1 3.56 0.01 . 2 . . . . . . . . 5187 1 937 . 1 1 89 89 LYS N N 15 122.80 0.12 . 1 . . . . . . . . 5187 1 938 . 1 1 90 90 ARG C C 13 174.22 0.03 . 1 . . . . . . . . 5187 1 939 . 1 1 90 90 ARG CA C 13 52.93 0.13 . 1 . . . . . . . . 5187 1 940 . 1 1 90 90 ARG CB C 13 32.00 0.07 . 1 . . . . . . . . 5187 1 941 . 1 1 90 90 ARG CD C 13 45.06 0.05 . 1 . . . . . . . . 5187 1 942 . 1 1 90 90 ARG CG C 13 26.57 0.05 . 1 . . . . . . . . 5187 1 943 . 1 1 90 90 ARG H H 1 8.45 0.00 . 1 . . . . . . . . 5187 1 944 . 1 1 90 90 ARG HA H 1 4.77 0.01 . 1 . . . . . . . . 5187 1 945 . 1 1 90 90 ARG HB2 H 1 2.64 0.02 . 2 . . . . . . . . 5187 1 946 . 1 1 90 90 ARG HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5187 1 947 . 1 1 90 90 ARG HD2 H 1 2.96 0.02 . 2 . . . . . . . . 5187 1 948 . 1 1 90 90 ARG HG2 H 1 1.94 0.02 . 2 . . . . . . . . 5187 1 949 . 1 1 90 90 ARG N N 15 123.79 0.09 . 1 . . . . . . . . 5187 1 950 . 1 1 91 91 MET C C 13 174.47 0.05 . 1 . . . . . . . . 5187 1 951 . 1 1 91 91 MET CA C 13 53.18 0.09 . 1 . . . . . . . . 5187 1 952 . 1 1 91 91 MET CB C 13 33.48 0.05 . 1 . . . . . . . . 5187 1 953 . 1 1 91 91 MET H H 1 8.11 0.01 . 1 . . . . . . . . 5187 1 954 . 1 1 91 91 MET HA H 1 4.32 0.01 . 1 . . . . . . . . 5187 1 955 . 1 1 91 91 MET HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5187 1 956 . 1 1 91 91 MET HE1 H 1 2.35 0.02 . 1 . . . . . . . . 5187 1 957 . 1 1 91 91 MET HE2 H 1 2.35 0.02 . 1 . . . . . . . . 5187 1 958 . 1 1 91 91 MET HE3 H 1 2.35 0.02 . 1 . . . . . . . . 5187 1 959 . 1 1 91 91 MET HG2 H 1 2.51 0.02 . 2 . . . . . . . . 5187 1 960 . 1 1 91 91 MET N N 15 121.34 0.10 . 1 . . . . . . . . 5187 1 961 . 1 1 92 92 GLU C C 13 175.66 0.00 . 1 . . . . . . . . 5187 1 962 . 1 1 92 92 GLU CA C 13 56.21 0.07 . 1 . . . . . . . . 5187 1 963 . 1 1 92 92 GLU CB C 13 30.33 0.12 . 1 . . . . . . . . 5187 1 964 . 1 1 92 92 GLU CG C 13 31.68 0.05 . 1 . . . . . . . . 5187 1 965 . 1 1 92 92 GLU HA H 1 4.39 0.00 . 1 . . . . . . . . 5187 1 966 . 1 1 92 92 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5187 1 967 . 1 1 92 92 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5187 1 968 . 1 1 92 92 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 5187 1 969 . 1 1 93 93 LYS C C 13 175.12 0.00 . 1 . . . . . . . . 5187 1 970 . 1 1 93 93 LYS CA C 13 56.12 0.05 . 1 . . . . . . . . 5187 1 971 . 1 1 93 93 LYS CB C 13 32.92 0.10 . 1 . . . . . . . . 5187 1 972 . 1 1 93 93 LYS CD C 13 28.79 0.05 . 1 . . . . . . . . 5187 1 973 . 1 1 93 93 LYS CG C 13 24.48 0.05 . 1 . . . . . . . . 5187 1 974 . 1 1 93 93 LYS H H 1 8.45 0.00 . 1 . . . . . . . . 5187 1 975 . 1 1 93 93 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5187 1 976 . 1 1 93 93 LYS HB2 H 1 1.83 0.00 . 2 . . . . . . . . 5187 1 977 . 1 1 93 93 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5187 1 978 . 1 1 93 93 LYS HD2 H 1 1.68 0.00 . 2 . . . . . . . . 5187 1 979 . 1 1 93 93 LYS HE2 H 1 2.98 0.02 . 2 . . . . . . . . 5187 1 980 . 1 1 93 93 LYS HG2 H 1 1.42 0.01 . 2 . . . . . . . . 5187 1 981 . 1 1 93 93 LYS N N 15 124.58 0.08 . 1 . . . . . . . . 5187 1 982 . 1 1 94 94 ASN C C 13 176.27 0.00 . 1 . . . . . . . . 5187 1 983 . 1 1 94 94 ASN CA C 13 54.63 0.06 . 1 . . . . . . . . 5187 1 984 . 1 1 94 94 ASN CB C 13 40.97 0.05 . 1 . . . . . . . . 5187 1 985 . 1 1 94 94 ASN H H 1 8.08 0.00 . 1 . . . . . . . . 5187 1 986 . 1 1 94 94 ASN HA H 1 4.49 0.01 . 1 . . . . . . . . 5187 1 987 . 1 1 94 94 ASN HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5187 1 988 . 1 1 94 94 ASN HB3 H 1 2.67 0.00 . 2 . . . . . . . . 5187 1 989 . 1 1 94 94 ASN N N 15 127.75 0.09 . 1 . . . . . . . . 5187 1 990 . 1 1 95 95 GLY C C 13 174.39 0.01 . 1 . . . . . . . . 5187 1 991 . 1 1 95 95 GLY CA C 13 45.34 0.19 . 1 . . . . . . . . 5187 1 992 . 1 1 95 95 GLY H H 1 8.32 0.00 . 1 . . . . . . . . 5187 1 993 . 1 1 95 95 GLY HA2 H 1 3.88 0.01 . 2 . . . . . . . . 5187 1 994 . 1 1 95 95 GLY N N 15 115.65 0.09 . 1 . . . . . . . . 5187 1 995 . 1 1 96 96 MET C C 13 175.97 0.00 . 1 . . . . . . . . 5187 1 996 . 1 1 96 96 MET CA C 13 55.27 0.04 . 1 . . . . . . . . 5187 1 997 . 1 1 96 96 MET CB C 13 32.35 0.17 . 1 . . . . . . . . 5187 1 998 . 1 1 96 96 MET CG C 13 30.41 0.05 . 1 . . . . . . . . 5187 1 999 . 1 1 96 96 MET H H 1 8.32 0.00 . 1 . . . . . . . . 5187 1 1000 . 1 1 96 96 MET HA H 1 4.43 0.01 . 1 . . . . . . . . 5187 1 1001 . 1 1 96 96 MET HB2 H 1 1.98 0.00 . 2 . . . . . . . . 5187 1 1002 . 1 1 96 96 MET HE1 H 1 1.69 0.02 . 1 . . . . . . . . 5187 1 1003 . 1 1 96 96 MET HE2 H 1 1.69 0.02 . 1 . . . . . . . . 5187 1 1004 . 1 1 96 96 MET HE3 H 1 1.69 0.02 . 1 . . . . . . . . 5187 1 1005 . 1 1 96 96 MET HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5187 1 1006 . 1 1 96 96 MET N N 15 121.48 0.13 . 1 . . . . . . . . 5187 1 1007 . 1 1 97 97 ARG C C 13 175.55 0.00 . 1 . . . . . . . . 5187 1 1008 . 1 1 97 97 ARG CA C 13 55.81 0.12 . 1 . . . . . . . . 5187 1 1009 . 1 1 97 97 ARG CB C 13 30.65 0.07 . 1 . . . . . . . . 5187 1 1010 . 1 1 97 97 ARG CD C 13 42.89 0.05 . 1 . . . . . . . . 5187 1 1011 . 1 1 97 97 ARG CG C 13 26.62 0.05 . 1 . . . . . . . . 5187 1 1012 . 1 1 97 97 ARG H H 1 8.19 0.00 . 1 . . . . . . . . 5187 1 1013 . 1 1 97 97 ARG HA H 1 4.27 0.01 . 1 . . . . . . . . 5187 1 1014 . 1 1 97 97 ARG HB2 H 1 1.67 0.02 . 2 . . . . . . . . 5187 1 1015 . 1 1 97 97 ARG HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5187 1 1016 . 1 1 97 97 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 5187 1 1017 . 1 1 97 97 ARG HD3 H 1 2.97 0.02 . 2 . . . . . . . . 5187 1 1018 . 1 1 97 97 ARG HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5187 1 1019 . 1 1 97 97 ARG HG3 H 1 1.38 0.02 . 2 . . . . . . . . 5187 1 1020 . 1 1 97 97 ARG N N 15 123.79 0.09 . 1 . . . . . . . . 5187 1 1021 . 1 1 98 98 TYR C C 13 174.66 0.01 . 1 . . . . . . . . 5187 1 1022 . 1 1 98 98 TYR CA C 13 57.25 0.13 . 1 . . . . . . . . 5187 1 1023 . 1 1 98 98 TYR CB C 13 38.82 0.07 . 1 . . . . . . . . 5187 1 1024 . 1 1 98 98 TYR H H 1 8.16 0.00 . 1 . . . . . . . . 5187 1 1025 . 1 1 98 98 TYR HA H 1 4.57 0.01 . 1 . . . . . . . . 5187 1 1026 . 1 1 98 98 TYR HB2 H 1 3.01 0.01 . 2 . . . . . . . . 5187 1 1027 . 1 1 98 98 TYR HB3 H 1 2.87 0.01 . 2 . . . . . . . . 5187 1 1028 . 1 1 98 98 TYR N N 15 123.08 0.12 . 1 . . . . . . . . 5187 1 1029 . 1 1 99 99 ALA C C 13 174.30 0.05 . 1 . . . . . . . . 5187 1 1030 . 1 1 99 99 ALA CA C 13 49.91 0.11 . 1 . . . . . . . . 5187 1 1031 . 1 1 99 99 ALA CB C 13 18.42 0.05 . 1 . . . . . . . . 5187 1 1032 . 1 1 99 99 ALA H H 1 8.18 0.00 . 1 . . . . . . . . 5187 1 1033 . 1 1 99 99 ALA HA H 1 4.58 0.00 . 1 . . . . . . . . 5187 1 1034 . 1 1 99 99 ALA HB1 H 1 1.28 0.01 . 1 . . . . . . . . 5187 1 1035 . 1 1 99 99 ALA HB2 H 1 1.28 0.01 . 1 . . . . . . . . 5187 1 1036 . 1 1 99 99 ALA HB3 H 1 1.28 0.01 . 1 . . . . . . . . 5187 1 1037 . 1 1 99 99 ALA N N 15 129.22 0.11 . 1 . . . . . . . . 5187 1 1038 . 1 1 100 100 PRO C C 13 177.37 0.00 . 1 . . . . . . . . 5187 1 1039 . 1 1 100 100 PRO CA C 13 63.18 0.03 . 1 . . . . . . . . 5187 1 1040 . 1 1 100 100 PRO CB C 13 31.79 0.06 . 1 . . . . . . . . 5187 1 1041 . 1 1 100 100 PRO CD C 13 50.16 0.05 . 1 . . . . . . . . 5187 1 1042 . 1 1 100 100 PRO CG C 13 26.92 0.05 . 1 . . . . . . . . 5187 1 1043 . 1 1 100 100 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 5187 1 1044 . 1 1 100 100 PRO HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5187 1 1045 . 1 1 100 100 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5187 1 1046 . 1 1 100 100 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 5187 1 1047 . 1 1 100 100 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . 5187 1 1048 . 1 1 101 101 GLY C C 13 173.15 0.00 . 1 . . . . . . . . 5187 1 1049 . 1 1 101 101 GLY CA C 13 45.03 0.03 . 1 . . . . . . . . 5187 1 1050 . 1 1 101 101 GLY H H 1 8.40 0.00 . 1 . . . . . . . . 5187 1 1051 . 1 1 101 101 GLY HA2 H 1 4.01 0.19 . 2 . . . . . . . . 5187 1 1052 . 1 1 101 101 GLY N N 15 111.70 0.10 . 1 . . . . . . . . 5187 1 1053 . 1 1 102 102 GLU C C 13 181.05 0.05 . 1 . . . . . . . . 5187 1 1054 . 1 1 102 102 GLU CA C 13 57.55 0.20 . 1 . . . . . . . . 5187 1 1055 . 1 1 102 102 GLU CB C 13 30.77 0.28 . 1 . . . . . . . . 5187 1 1056 . 1 1 102 102 GLU H H 1 7.77 0.00 . 1 . . . . . . . . 5187 1 1057 . 1 1 102 102 GLU HA H 1 4.14 0.00 . 1 . . . . . . . . 5187 1 1058 . 1 1 102 102 GLU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 5187 1 1059 . 1 1 102 102 GLU HB3 H 1 1.89 0.00 . 2 . . . . . . . . 5187 1 1060 . 1 1 102 102 GLU HG2 H 1 2.28 0.01 . 2 . . . . . . . . 5187 1 1061 . 1 1 102 102 GLU HG3 H 1 2.17 0.00 . 2 . . . . . . . . 5187 1 1062 . 1 1 102 102 GLU N N 15 127.30 0.10 . 1 . . . . . . . . 5187 1 stop_ save_