data_6201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6201 _Entry.Title ; Sequence specific 1H and 15N resonance assignment of domain 1 of rat CD2 with the designed calcium binding site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-05-07 _Entry.Accession_date 2004-05-07 _Entry.Last_release_date 2005-02-16 _Entry.Original_release_date 2005-02-16 _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 Wei Yang . . . 6201 2 Jenny Yang . J. . 6201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 202 6201 '1H chemical shifts' 1072 6201 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 . . 2005-02-16 2004-05-07 original author . 6201 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1T6W 'BMRB Entry Tracking System' 6201 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15713084 _Citation.Full_citation . _Citation.Title ; Design of a Calcium-Binding Protein with Desired Structure in a Cell Adhesion Molecule ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 127 _Citation.Journal_issue 7 _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 2085 _Citation.Page_last 2093 _Citation.Year 2005 _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 Wei Yang . . . 6201 1 2 A. Wilkins . L. . 6201 1 3 Y. Ye . . . 6201 1 4 Z. Liu . R. . 6201 1 5 S. Li . Y. . 6201 1 6 J. Urbauer . L. . 6201 1 7 H. Hellinga . . . 6201 1 8 A. Kearney . . . 6201 1 9 P. 'van der Merwe' . A. . 6201 1 10 J. Yang . J. . 6201 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium binding protein' 6201 1 CD2 6201 1 'cell adhesion' 6201 1 'protein design' 6201 1 'resonance assignment' 6201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6201 _Assembly.ID 1 _Assembly.Name Ca.CD2 _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 'CD2 with mutations of N15D and N17D' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6201 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 'CD2 with designed calcium binding site' 1 $CD2 . . . native . . . . . 6201 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Ca.CD2 abbreviation 6201 1 Ca.CD2 system 6201 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium binding' 6201 1 'cell adhesion' 6201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD2 _Entity.Sf_category entity _Entity.Sf_framecode CD2 _Entity.Entry_ID 6201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ca.CD2 _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 ; RDSGTVWGALGHGIDLDIPN FQMTDDIDEVRWERGSTLVA EFKRKMKPFLKSGAFEILAN GDLKIKNLTRDDSGTYNVTV YSTNGTRILNKALDLRILE ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 4109 . CD2d1 . . . . . 100.00 100 97.98 100.00 2.53e-63 . . . . 6201 1 2 no PDB 1CDC . "Cd2, N-Terminal Domain (1-99), Truncated Form" . . . . . 100.00 99 96.97 100.00 2.48e-62 . . . . 6201 1 3 no PDB 1HNG . "Crystal Structure At 2.8 Angstroms Resolution Of A Soluble Form Of The Cell Adhesion Molecule Cd2" . . . . . 100.00 176 97.98 100.00 1.71e-63 . . . . 6201 1 4 no PDB 1T6W . "Rational Design Of A Calcium-Binding Adhesion Protein Nmr, 20 Structures" . . . . . 100.00 99 100.00 100.00 2.33e-64 . . . . 6201 1 5 no EMBL CAA28757 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 344 96.97 100.00 2.09e-63 . . . . 6201 1 6 no GB AAH88164 . "Cd2 molecule [Rattus norvegicus]" . . . . . 100.00 344 97.98 100.00 4.03e-64 . . . . 6201 1 7 no GB ADI96088 . "Cd2 [synthetic construct]" . . . . . 100.00 344 96.97 100.00 2.09e-63 . . . . 6201 1 8 no GB EDL85525 . "rCG51754 [Rattus norvegicus]" . . . . . 100.00 344 97.98 100.00 4.03e-64 . . . . 6201 1 9 no REF NP_036962 . "T-cell surface antigen CD2 precursor [Rattus norvegicus]" . . . . . 100.00 344 96.97 100.00 2.09e-63 . . . . 6201 1 10 no SP P08921 . "RecName: Full=T-cell surface antigen CD2; AltName: Full=LFA-2; AltName: Full=LFA-3 receptor; AltName: Full=OX-34 antigen; AltNa" . . . . . 100.00 344 96.97 100.00 2.09e-63 . . . . 6201 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium binding' 6201 1 'cell adhesion' 6201 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ca.CD2 abbreviation 6201 1 Ca.CD2 common 6201 1 Ca.CD2 variant 6201 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 . ARG . 6201 1 2 . ASP . 6201 1 3 . SER . 6201 1 4 . GLY . 6201 1 5 . THR . 6201 1 6 . VAL . 6201 1 7 . TRP . 6201 1 8 . GLY . 6201 1 9 . ALA . 6201 1 10 . LEU . 6201 1 11 . GLY . 6201 1 12 . HIS . 6201 1 13 . GLY . 6201 1 14 . ILE . 6201 1 15 . ASP . 6201 1 16 . LEU . 6201 1 17 . ASP . 6201 1 18 . ILE . 6201 1 19 . PRO . 6201 1 20 . ASN . 6201 1 21 . PHE . 6201 1 22 . GLN . 6201 1 23 . MET . 6201 1 24 . THR . 6201 1 25 . ASP . 6201 1 26 . ASP . 6201 1 27 . ILE . 6201 1 28 . ASP . 6201 1 29 . GLU . 6201 1 30 . VAL . 6201 1 31 . ARG . 6201 1 32 . TRP . 6201 1 33 . GLU . 6201 1 34 . ARG . 6201 1 35 . GLY . 6201 1 36 . SER . 6201 1 37 . THR . 6201 1 38 . LEU . 6201 1 39 . VAL . 6201 1 40 . ALA . 6201 1 41 . GLU . 6201 1 42 . PHE . 6201 1 43 . LYS . 6201 1 44 . ARG . 6201 1 45 . LYS . 6201 1 46 . MET . 6201 1 47 . LYS . 6201 1 48 . PRO . 6201 1 49 . PHE . 6201 1 50 . LEU . 6201 1 51 . LYS . 6201 1 52 . SER . 6201 1 53 . GLY . 6201 1 54 . ALA . 6201 1 55 . PHE . 6201 1 56 . GLU . 6201 1 57 . ILE . 6201 1 58 . LEU . 6201 1 59 . ALA . 6201 1 60 . ASN . 6201 1 61 . GLY . 6201 1 62 . ASP . 6201 1 63 . LEU . 6201 1 64 . LYS . 6201 1 65 . ILE . 6201 1 66 . LYS . 6201 1 67 . ASN . 6201 1 68 . LEU . 6201 1 69 . THR . 6201 1 70 . ARG . 6201 1 71 . ASP . 6201 1 72 . ASP . 6201 1 73 . SER . 6201 1 74 . GLY . 6201 1 75 . THR . 6201 1 76 . TYR . 6201 1 77 . ASN . 6201 1 78 . VAL . 6201 1 79 . THR . 6201 1 80 . VAL . 6201 1 81 . TYR . 6201 1 82 . SER . 6201 1 83 . THR . 6201 1 84 . ASN . 6201 1 85 . GLY . 6201 1 86 . THR . 6201 1 87 . ARG . 6201 1 88 . ILE . 6201 1 89 . LEU . 6201 1 90 . ASN . 6201 1 91 . LYS . 6201 1 92 . ALA . 6201 1 93 . LEU . 6201 1 94 . ASP . 6201 1 95 . LEU . 6201 1 96 . ARG . 6201 1 97 . ILE . 6201 1 98 . LEU . 6201 1 99 . GLU . 6201 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 . ARG 1 1 6201 1 . ASP 2 2 6201 1 . SER 3 3 6201 1 . GLY 4 4 6201 1 . THR 5 5 6201 1 . VAL 6 6 6201 1 . TRP 7 7 6201 1 . GLY 8 8 6201 1 . ALA 9 9 6201 1 . LEU 10 10 6201 1 . GLY 11 11 6201 1 . HIS 12 12 6201 1 . GLY 13 13 6201 1 . ILE 14 14 6201 1 . ASP 15 15 6201 1 . LEU 16 16 6201 1 . ASP 17 17 6201 1 . ILE 18 18 6201 1 . PRO 19 19 6201 1 . ASN 20 20 6201 1 . PHE 21 21 6201 1 . GLN 22 22 6201 1 . MET 23 23 6201 1 . THR 24 24 6201 1 . ASP 25 25 6201 1 . ASP 26 26 6201 1 . ILE 27 27 6201 1 . ASP 28 28 6201 1 . GLU 29 29 6201 1 . VAL 30 30 6201 1 . ARG 31 31 6201 1 . TRP 32 32 6201 1 . GLU 33 33 6201 1 . ARG 34 34 6201 1 . GLY 35 35 6201 1 . SER 36 36 6201 1 . THR 37 37 6201 1 . LEU 38 38 6201 1 . VAL 39 39 6201 1 . ALA 40 40 6201 1 . GLU 41 41 6201 1 . PHE 42 42 6201 1 . LYS 43 43 6201 1 . ARG 44 44 6201 1 . LYS 45 45 6201 1 . MET 46 46 6201 1 . LYS 47 47 6201 1 . PRO 48 48 6201 1 . PHE 49 49 6201 1 . LEU 50 50 6201 1 . LYS 51 51 6201 1 . SER 52 52 6201 1 . GLY 53 53 6201 1 . ALA 54 54 6201 1 . PHE 55 55 6201 1 . GLU 56 56 6201 1 . ILE 57 57 6201 1 . LEU 58 58 6201 1 . ALA 59 59 6201 1 . ASN 60 60 6201 1 . GLY 61 61 6201 1 . ASP 62 62 6201 1 . LEU 63 63 6201 1 . LYS 64 64 6201 1 . ILE 65 65 6201 1 . LYS 66 66 6201 1 . ASN 67 67 6201 1 . LEU 68 68 6201 1 . THR 69 69 6201 1 . ARG 70 70 6201 1 . ASP 71 71 6201 1 . ASP 72 72 6201 1 . SER 73 73 6201 1 . GLY 74 74 6201 1 . THR 75 75 6201 1 . TYR 76 76 6201 1 . ASN 77 77 6201 1 . VAL 78 78 6201 1 . THR 79 79 6201 1 . VAL 80 80 6201 1 . TYR 81 81 6201 1 . SER 82 82 6201 1 . THR 83 83 6201 1 . ASN 84 84 6201 1 . GLY 85 85 6201 1 . THR 86 86 6201 1 . ARG 87 87 6201 1 . ILE 88 88 6201 1 . LEU 89 89 6201 1 . ASN 90 90 6201 1 . LYS 91 91 6201 1 . ALA 92 92 6201 1 . LEU 93 93 6201 1 . ASP 94 94 6201 1 . LEU 95 95 6201 1 . ARG 96 96 6201 1 . ILE 97 97 6201 1 . LEU 98 98 6201 1 . GLU 99 99 6201 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 6201 _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 $CD2 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6201 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 6201 _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 $CD2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6201 _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 Ca.CD2 '[U-95% 15N]' . . 1 $CD2 . . 1.0 . . mM . . . . 6201 1 2 KCl . . . . . . . 130 . . mM . . . . 6201 1 3 CaCl2 . . . . . . . 10 . . mM . . . . 6201 1 4 PIPES . . . . . . . 20 . . mM . . . . 6201 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6201 _Sample.ID 2 _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 Ca.CD2 '[U-95% 15N]' . . 1 $CD2 . . 1.0 . . mM . . . . 6201 2 2 KCl . . . . . . . 130 . . mM . . . . 6201 2 3 EGTA . . . . . . . 3 . . mM . . . . 6201 2 4 PIPES . . . . . . . 20 . . mM . . . . 6201 2 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6201 _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 6.8 0.02 pH 6201 1 temperature 298 1 K 6201 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6201 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 6201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 6201 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 6201 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 6201 _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 . . . . . . . . . . . . . . . . . 1 $Conditions_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 6201 1 stop_ 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 6201 _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 H 1 H2O protons . . . . ppm 4.75 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6201 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6201 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 6201 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_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 $sample_1 . 6201 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 5 5 THR H H 1 8.050 0.005 . 1 . . . . . . . . 6201 1 2 . 1 1 5 5 THR HA H 1 4.913 0.005 . 1 . . . . . . . . 6201 1 3 . 1 1 5 5 THR HB H 1 3.795 0.005 . 1 . . . . . . . . 6201 1 4 . 1 1 5 5 THR HG21 H 1 0.479 0.005 . 1 . . . . . . . . 6201 1 5 . 1 1 5 5 THR HG22 H 1 0.479 0.005 . 1 . . . . . . . . 6201 1 6 . 1 1 5 5 THR HG23 H 1 0.479 0.005 . 1 . . . . . . . . 6201 1 7 . 1 1 5 5 THR N N 15 119.05 0.10 . 1 . . . . . . . . 6201 1 8 . 1 1 6 6 VAL H H 1 9.036 0.005 . 1 . . . . . . . . 6201 1 9 . 1 1 6 6 VAL HA H 1 4.320 0.005 . 1 . . . . . . . . 6201 1 10 . 1 1 6 6 VAL HB H 1 1.831 0.005 . 1 . . . . . . . . 6201 1 11 . 1 1 6 6 VAL HG11 H 1 0.937 0.005 . 2 . . . . . . . . 6201 1 12 . 1 1 6 6 VAL HG12 H 1 0.937 0.005 . 2 . . . . . . . . 6201 1 13 . 1 1 6 6 VAL HG13 H 1 0.937 0.005 . 2 . . . . . . . . 6201 1 14 . 1 1 6 6 VAL HG21 H 1 0.912 0.005 . 2 . . . . . . . . 6201 1 15 . 1 1 6 6 VAL HG22 H 1 0.912 0.005 . 2 . . . . . . . . 6201 1 16 . 1 1 6 6 VAL HG23 H 1 0.912 0.005 . 2 . . . . . . . . 6201 1 17 . 1 1 6 6 VAL N N 15 128.95 0.10 . 1 . . . . . . . . 6201 1 18 . 1 1 7 7 TRP H H 1 8.534 0.005 . 1 . . . . . . . . 6201 1 19 . 1 1 7 7 TRP HA H 1 5.292 0.005 . 1 . . . . . . . . 6201 1 20 . 1 1 7 7 TRP HB2 H 1 2.986 0.005 . 2 . . . . . . . . 6201 1 21 . 1 1 7 7 TRP HB3 H 1 3.022 0.005 . 2 . . . . . . . . 6201 1 22 . 1 1 7 7 TRP HD1 H 1 7.159 0.005 . 1 . . . . . . . . 6201 1 23 . 1 1 7 7 TRP HE1 H 1 10.170 0.10 . 1 . . . . . . . . 6201 1 24 . 1 1 7 7 TRP HE3 H 1 7.321 0.005 . 1 . . . . . . . . 6201 1 25 . 1 1 7 7 TRP HZ2 H 1 7.471 0.005 . 1 . . . . . . . . 6201 1 26 . 1 1 7 7 TRP HZ3 H 1 7.083 0.005 . 1 . . . . . . . . 6201 1 27 . 1 1 7 7 TRP HH2 H 1 7.206 0.005 . 1 . . . . . . . . 6201 1 28 . 1 1 7 7 TRP N N 15 126.80 0.10 . 1 . . . . . . . . 6201 1 29 . 1 1 7 7 TRP NE1 N 15 130.45 0.10 . 1 . . . . . . . . 6201 1 30 . 1 1 8 8 GLY H H 1 8.887 0.005 . 1 . . . . . . . . 6201 1 31 . 1 1 8 8 GLY HA2 H 1 4.651 0.005 . 2 . . . . . . . . 6201 1 32 . 1 1 8 8 GLY HA3 H 1 3.266 0.005 . 2 . . . . . . . . 6201 1 33 . 1 1 8 8 GLY N N 15 109.80 0.10 . 1 . . . . . . . . 6201 1 34 . 1 1 9 9 ALA H H 1 8.324 0.005 . 1 . . . . . . . . 6201 1 35 . 1 1 9 9 ALA HA H 1 4.876 0.005 . 1 . . . . . . . . 6201 1 36 . 1 1 9 9 ALA HB1 H 1 1.145 0.005 . 1 . . . . . . . . 6201 1 37 . 1 1 9 9 ALA HB2 H 1 1.145 0.005 . 1 . . . . . . . . 6201 1 38 . 1 1 9 9 ALA HB3 H 1 1.145 0.005 . 1 . . . . . . . . 6201 1 39 . 1 1 9 9 ALA N N 15 125.30 0.10 . 1 . . . . . . . . 6201 1 40 . 1 1 10 10 LEU H H 1 8.681 0.005 . 1 . . . . . . . . 6201 1 41 . 1 1 10 10 LEU HA H 1 3.805 0.005 . 1 . . . . . . . . 6201 1 42 . 1 1 10 10 LEU HB2 H 1 1.553 0.005 . 2 . . . . . . . . 6201 1 43 . 1 1 10 10 LEU HB3 H 1 1.641 0.005 . 2 . . . . . . . . 6201 1 44 . 1 1 10 10 LEU HG H 1 1.741 0.005 . 1 . . . . . . . . 6201 1 45 . 1 1 10 10 LEU HD11 H 1 0.811 0.005 . 2 . . . . . . . . 6201 1 46 . 1 1 10 10 LEU HD12 H 1 0.811 0.005 . 2 . . . . . . . . 6201 1 47 . 1 1 10 10 LEU HD13 H 1 0.811 0.005 . 2 . . . . . . . . 6201 1 48 . 1 1 10 10 LEU HD21 H 1 0.967 0.005 . 2 . . . . . . . . 6201 1 49 . 1 1 10 10 LEU HD22 H 1 0.967 0.005 . 2 . . . . . . . . 6201 1 50 . 1 1 10 10 LEU HD23 H 1 0.967 0.005 . 2 . . . . . . . . 6201 1 51 . 1 1 10 10 LEU N N 15 123.10 0.10 . 1 . . . . . . . . 6201 1 52 . 1 1 11 11 GLY H H 1 9.363 0.005 . 1 . . . . . . . . 6201 1 53 . 1 1 11 11 GLY HA2 H 1 4.085 0.005 . 2 . . . . . . . . 6201 1 54 . 1 1 11 11 GLY HA3 H 1 3.863 0.005 . 2 . . . . . . . . 6201 1 55 . 1 1 11 11 GLY N N 15 112.65 0.10 . 1 . . . . . . . . 6201 1 56 . 1 1 12 12 HIS H H 1 7.906 0.005 . 1 . . . . . . . . 6201 1 57 . 1 1 12 12 HIS HA H 1 4.905 0.005 . 1 . . . . . . . . 6201 1 58 . 1 1 12 12 HIS HB2 H 1 3.254 0.005 . 2 . . . . . . . . 6201 1 59 . 1 1 12 12 HIS HB3 H 1 3.361 0.005 . 2 . . . . . . . . 6201 1 60 . 1 1 12 12 HIS HD2 H 1 7.098 0.005 . 1 . . . . . . . . 6201 1 61 . 1 1 12 12 HIS N N 15 119.20 0.10 . 1 . . . . . . . . 6201 1 62 . 1 1 13 13 GLY H H 1 8.597 0.005 . 1 . . . . . . . . 6201 1 63 . 1 1 13 13 GLY HA2 H 1 4.700 0.005 . 2 . . . . . . . . 6201 1 64 . 1 1 13 13 GLY HA3 H 1 3.563 0.005 . 2 . . . . . . . . 6201 1 65 . 1 1 13 13 GLY N N 15 110.20 0.10 . 1 . . . . . . . . 6201 1 66 . 1 1 14 14 ILE H H 1 8.715 0.005 . 1 . . . . . . . . 6201 1 67 . 1 1 14 14 ILE HA H 1 4.532 0.005 . 1 . . . . . . . . 6201 1 68 . 1 1 14 14 ILE HB H 1 1.836 0.005 . 1 . . . . . . . . 6201 1 69 . 1 1 14 14 ILE HG12 H 1 1.039 0.005 . 2 . . . . . . . . 6201 1 70 . 1 1 14 14 ILE HG13 H 1 1.405 0.005 . 2 . . . . . . . . 6201 1 71 . 1 1 14 14 ILE HG21 H 1 0.751 0.005 . 1 . . . . . . . . 6201 1 72 . 1 1 14 14 ILE HG22 H 1 0.751 0.005 . 1 . . . . . . . . 6201 1 73 . 1 1 14 14 ILE HG23 H 1 0.751 0.005 . 1 . . . . . . . . 6201 1 74 . 1 1 14 14 ILE HD11 H 1 0.881 0.005 . 1 . . . . . . . . 6201 1 75 . 1 1 14 14 ILE HD12 H 1 0.881 0.005 . 1 . . . . . . . . 6201 1 76 . 1 1 14 14 ILE HD13 H 1 0.881 0.005 . 1 . . . . . . . . 6201 1 77 . 1 1 14 14 ILE N N 15 119.80 0.10 . 1 . . . . . . . . 6201 1 78 . 1 1 15 15 ASP H H 1 7.730 0.005 . 1 . . . . . . . . 6201 1 79 . 1 1 15 15 ASP HA H 1 5.203 0.005 . 1 . . . . . . . . 6201 1 80 . 1 1 15 15 ASP HB2 H 1 2.272 0.005 . 2 . . . . . . . . 6201 1 81 . 1 1 15 15 ASP HB3 H 1 2.419 0.005 . 2 . . . . . . . . 6201 1 82 . 1 1 15 15 ASP N N 15 125.65 0.10 . 1 . . . . . . . . 6201 1 83 . 1 1 16 16 LEU H H 1 9.393 0.005 . 1 . . . . . . . . 6201 1 84 . 1 1 16 16 LEU HA H 1 4.257 0.005 . 1 . . . . . . . . 6201 1 85 . 1 1 16 16 LEU HB2 H 1 1.050 0.005 . 2 . . . . . . . . 6201 1 86 . 1 1 16 16 LEU HB3 H 1 1.301 0.005 . 2 . . . . . . . . 6201 1 87 . 1 1 16 16 LEU HG H 1 1.180 0.005 . 1 . . . . . . . . 6201 1 88 . 1 1 16 16 LEU HD11 H 1 0.477 0.005 . 2 . . . . . . . . 6201 1 89 . 1 1 16 16 LEU HD12 H 1 0.477 0.005 . 2 . . . . . . . . 6201 1 90 . 1 1 16 16 LEU HD13 H 1 0.477 0.005 . 2 . . . . . . . . 6201 1 91 . 1 1 16 16 LEU HD21 H 1 0.125 0.005 . 2 . . . . . . . . 6201 1 92 . 1 1 16 16 LEU HD22 H 1 0.125 0.005 . 2 . . . . . . . . 6201 1 93 . 1 1 16 16 LEU HD23 H 1 0.125 0.005 . 2 . . . . . . . . 6201 1 94 . 1 1 16 16 LEU N N 15 126.95 0.10 . 1 . . . . . . . . 6201 1 95 . 1 1 17 17 ASP H H 1 7.967 0.005 . 1 . . . . . . . . 6201 1 96 . 1 1 17 17 ASP HA H 1 4.715 0.005 . 1 . . . . . . . . 6201 1 97 . 1 1 17 17 ASP HB2 H 1 2.535 0.005 . 1 . . . . . . . . 6201 1 98 . 1 1 17 17 ASP HB3 H 1 2.535 0.005 . 1 . . . . . . . . 6201 1 99 . 1 1 17 17 ASP N N 15 121.65 0.10 . 1 . . . . . . . . 6201 1 100 . 1 1 18 18 ILE H H 1 8.220 0.005 . 1 . . . . . . . . 6201 1 101 . 1 1 18 18 ILE HA H 1 4.034 0.005 . 1 . . . . . . . . 6201 1 102 . 1 1 18 18 ILE HB H 1 1.966 0.005 . 1 . . . . . . . . 6201 1 103 . 1 1 18 18 ILE HG12 H 1 2.085 0.005 . 2 . . . . . . . . 6201 1 104 . 1 1 18 18 ILE HG13 H 1 0.697 0.005 . 2 . . . . . . . . 6201 1 105 . 1 1 18 18 ILE HG21 H 1 0.400 0.005 . 1 . . . . . . . . 6201 1 106 . 1 1 18 18 ILE HG22 H 1 0.400 0.005 . 1 . . . . . . . . 6201 1 107 . 1 1 18 18 ILE HG23 H 1 0.400 0.005 . 1 . . . . . . . . 6201 1 108 . 1 1 18 18 ILE HD11 H 1 0.508 0.005 . 1 . . . . . . . . 6201 1 109 . 1 1 18 18 ILE HD12 H 1 0.508 0.005 . 1 . . . . . . . . 6201 1 110 . 1 1 18 18 ILE HD13 H 1 0.508 0.005 . 1 . . . . . . . . 6201 1 111 . 1 1 18 18 ILE N N 15 123.60 0.10 . 1 . . . . . . . . 6201 1 112 . 1 1 19 19 PRO HA H 1 4.378 0.005 . 1 . . . . . . . . 6201 1 113 . 1 1 19 19 PRO HB2 H 1 2.295 0.005 . 2 . . . . . . . . 6201 1 114 . 1 1 19 19 PRO HB3 H 1 1.843 0.005 . 2 . . . . . . . . 6201 1 115 . 1 1 19 19 PRO HG2 H 1 2.013 0.005 . 1 . . . . . . . . 6201 1 116 . 1 1 19 19 PRO HG3 H 1 2.013 0.005 . 1 . . . . . . . . 6201 1 117 . 1 1 19 19 PRO HD2 H 1 3.267 0.005 . 2 . . . . . . . . 6201 1 118 . 1 1 19 19 PRO HD3 H 1 4.225 0.005 . 2 . . . . . . . . 6201 1 119 . 1 1 20 20 ASN H H 1 8.869 0.005 . 1 . . . . . . . . 6201 1 120 . 1 1 20 20 ASN HA H 1 4.294 0.005 . 1 . . . . . . . . 6201 1 121 . 1 1 20 20 ASN HB2 H 1 2.711 0.005 . 2 . . . . . . . . 6201 1 122 . 1 1 20 20 ASN HD21 H 1 7.615 0.005 . 2 . . . . . . . . 6201 1 123 . 1 1 20 20 ASN HD22 H 1 6.952 0.005 . 2 . . . . . . . . 6201 1 124 . 1 1 20 20 ASN N N 15 117.75 0.10 . 1 . . . . . . . . 6201 1 125 . 1 1 20 20 ASN ND2 N 15 114.00 0.10 . 1 . . . . . . . . 6201 1 126 . 1 1 21 21 PHE H H 1 7.589 0.005 . 1 . . . . . . . . 6201 1 127 . 1 1 21 21 PHE HA H 1 4.739 0.005 . 1 . . . . . . . . 6201 1 128 . 1 1 21 21 PHE HB2 H 1 2.476 0.005 . 2 . . . . . . . . 6201 1 129 . 1 1 21 21 PHE HB3 H 1 2.794 0.005 . 2 . . . . . . . . 6201 1 130 . 1 1 21 21 PHE HD1 H 1 7.215 0.005 . 1 . . . . . . . . 6201 1 131 . 1 1 21 21 PHE HD2 H 1 7.215 0.005 . 1 . . . . . . . . 6201 1 132 . 1 1 21 21 PHE HE1 H 1 7.147 0.005 . 1 . . . . . . . . 6201 1 133 . 1 1 21 21 PHE HE2 H 1 7.147 0.005 . 1 . . . . . . . . 6201 1 134 . 1 1 21 21 PHE HZ H 1 7.136 0.005 . 1 . . . . . . . . 6201 1 135 . 1 1 21 21 PHE N N 15 118.90 0.10 . 1 . . . . . . . . 6201 1 136 . 1 1 22 22 GLN H H 1 7.164 0.005 . 1 . . . . . . . . 6201 1 137 . 1 1 22 22 GLN HA H 1 4.256 0.005 . 1 . . . . . . . . 6201 1 138 . 1 1 22 22 GLN HB2 H 1 1.737 0.005 . 1 . . . . . . . . 6201 1 139 . 1 1 22 22 GLN HB3 H 1 1.737 0.005 . 1 . . . . . . . . 6201 1 140 . 1 1 22 22 GLN HG2 H 1 2.133 0.005 . 1 . . . . . . . . 6201 1 141 . 1 1 22 22 GLN HG3 H 1 2.133 0.005 . 1 . . . . . . . . 6201 1 142 . 1 1 22 22 GLN HE21 H 1 7.436 0.005 . 2 . . . . . . . . 6201 1 143 . 1 1 22 22 GLN HE22 H 1 6.768 0.005 . 2 . . . . . . . . 6201 1 144 . 1 1 22 22 GLN N N 15 127.85 0.10 . 1 . . . . . . . . 6201 1 145 . 1 1 22 22 GLN NE2 N 15 113.35 0.10 . 1 . . . . . . . . 6201 1 146 . 1 1 23 23 MET H H 1 8.350 0.005 . 1 . . . . . . . . 6201 1 147 . 1 1 23 23 MET HA H 1 4.064 0.005 . 1 . . . . . . . . 6201 1 148 . 1 1 23 23 MET HB2 H 1 1.964 0.005 . 1 . . . . . . . . 6201 1 149 . 1 1 23 23 MET HB3 H 1 1.964 0.005 . 1 . . . . . . . . 6201 1 150 . 1 1 23 23 MET HG2 H 1 2.712 0.005 . 2 . . . . . . . . 6201 1 151 . 1 1 23 23 MET HG3 H 1 2.387 0.005 . 2 . . . . . . . . 6201 1 152 . 1 1 23 23 MET N N 15 124.30 0.10 . 1 . . . . . . . . 6201 1 153 . 1 1 24 24 THR H H 1 6.844 0.005 . 1 . . . . . . . . 6201 1 154 . 1 1 24 24 THR HA H 1 4.692 0.005 . 1 . . . . . . . . 6201 1 155 . 1 1 24 24 THR HB H 1 4.511 0.005 . 1 . . . . . . . . 6201 1 156 . 1 1 24 24 THR HG21 H 1 1.074 0.005 . 1 . . . . . . . . 6201 1 157 . 1 1 24 24 THR HG22 H 1 1.074 0.005 . 1 . . . . . . . . 6201 1 158 . 1 1 24 24 THR HG23 H 1 1.074 0.005 . 1 . . . . . . . . 6201 1 159 . 1 1 24 24 THR N N 15 117.15 0.10 . 1 . . . . . . . . 6201 1 160 . 1 1 25 25 ASP H H 1 8.717 0.005 . 1 . . . . . . . . 6201 1 161 . 1 1 25 25 ASP HA H 1 4.512 0.005 . 1 . . . . . . . . 6201 1 162 . 1 1 25 25 ASP HB2 H 1 2.678 0.005 . 1 . . . . . . . . 6201 1 163 . 1 1 25 25 ASP HB3 H 1 2.678 0.005 . 1 . . . . . . . . 6201 1 164 . 1 1 25 25 ASP N N 15 121.60 0.10 . 1 . . . . . . . . 6201 1 165 . 1 1 26 26 ASP H H 1 8.184 0.005 . 1 . . . . . . . . 6201 1 166 . 1 1 26 26 ASP HA H 1 4.722 0.005 . 1 . . . . . . . . 6201 1 167 . 1 1 26 26 ASP HB2 H 1 2.724 0.005 . 2 . . . . . . . . 6201 1 168 . 1 1 26 26 ASP HB3 H 1 2.593 0.005 . 2 . . . . . . . . 6201 1 169 . 1 1 26 26 ASP N N 15 116.70 0.10 . 1 . . . . . . . . 6201 1 170 . 1 1 27 27 ILE H H 1 7.533 0.005 . 1 . . . . . . . . 6201 1 171 . 1 1 27 27 ILE HA H 1 4.162 0.005 . 1 . . . . . . . . 6201 1 172 . 1 1 27 27 ILE HB H 1 2.641 0.005 . 1 . . . . . . . . 6201 1 173 . 1 1 27 27 ILE HG12 H 1 2.023 0.005 . 2 . . . . . . . . 6201 1 174 . 1 1 27 27 ILE HG13 H 1 1.698 0.005 . 2 . . . . . . . . 6201 1 175 . 1 1 27 27 ILE HG21 H 1 0.999 0.005 . 1 . . . . . . . . 6201 1 176 . 1 1 27 27 ILE HG22 H 1 0.999 0.005 . 1 . . . . . . . . 6201 1 177 . 1 1 27 27 ILE HG23 H 1 0.999 0.005 . 1 . . . . . . . . 6201 1 178 . 1 1 27 27 ILE HD11 H 1 0.855 0.005 . 1 . . . . . . . . 6201 1 179 . 1 1 27 27 ILE HD12 H 1 0.855 0.005 . 1 . . . . . . . . 6201 1 180 . 1 1 27 27 ILE HD13 H 1 0.855 0.005 . 1 . . . . . . . . 6201 1 181 . 1 1 27 27 ILE N N 15 120.60 0.10 . 1 . . . . . . . . 6201 1 182 . 1 1 28 28 ASP H H 1 8.928 0.005 . 1 . . . . . . . . 6201 1 183 . 1 1 28 28 ASP HA H 1 4.998 0.005 . 1 . . . . . . . . 6201 1 184 . 1 1 28 28 ASP HB2 H 1 2.378 0.005 . 2 . . . . . . . . 6201 1 185 . 1 1 28 28 ASP HB3 H 1 2.287 0.005 . 2 . . . . . . . . 6201 1 186 . 1 1 28 28 ASP N N 15 128.70 0.10 . 1 . . . . . . . . 6201 1 187 . 1 1 29 29 GLU H H 1 7.743 0.005 . 1 . . . . . . . . 6201 1 188 . 1 1 29 29 GLU HA H 1 5.687 0.005 . 1 . . . . . . . . 6201 1 189 . 1 1 29 29 GLU HB2 H 1 2.085 0.005 . 2 . . . . . . . . 6201 1 190 . 1 1 29 29 GLU HB3 H 1 1.980 0.005 . 2 . . . . . . . . 6201 1 191 . 1 1 29 29 GLU HG2 H 1 2.087 0.005 . 1 . . . . . . . . 6201 1 192 . 1 1 29 29 GLU HG3 H 1 2.087 0.005 . 1 . . . . . . . . 6201 1 193 . 1 1 29 29 GLU N N 15 116.70 0.10 . 1 . . . . . . . . 6201 1 194 . 1 1 30 30 VAL H H 1 9.067 0.005 . 1 . . . . . . . . 6201 1 195 . 1 1 30 30 VAL HA H 1 4.746 0.005 . 1 . . . . . . . . 6201 1 196 . 1 1 30 30 VAL HB H 1 2.146 0.005 . 1 . . . . . . . . 6201 1 197 . 1 1 30 30 VAL HG11 H 1 0.935 0.005 . 2 . . . . . . . . 6201 1 198 . 1 1 30 30 VAL HG12 H 1 0.935 0.005 . 2 . . . . . . . . 6201 1 199 . 1 1 30 30 VAL HG13 H 1 0.935 0.005 . 2 . . . . . . . . 6201 1 200 . 1 1 30 30 VAL HG21 H 1 0.837 0.005 . 2 . . . . . . . . 6201 1 201 . 1 1 30 30 VAL HG22 H 1 0.837 0.005 . 2 . . . . . . . . 6201 1 202 . 1 1 30 30 VAL HG23 H 1 0.837 0.005 . 2 . . . . . . . . 6201 1 203 . 1 1 30 30 VAL N N 15 125.55 0.10 . 1 . . . . . . . . 6201 1 204 . 1 1 31 31 ARG H H 1 9.282 0.005 . 1 . . . . . . . . 6201 1 205 . 1 1 31 31 ARG HA H 1 5.175 0.005 . 1 . . . . . . . . 6201 1 206 . 1 1 31 31 ARG HB2 H 1 1.953 0.005 . 2 . . . . . . . . 6201 1 207 . 1 1 31 31 ARG HB3 H 1 1.858 0.005 . 2 . . . . . . . . 6201 1 208 . 1 1 31 31 ARG HG2 H 1 1.702 0.005 . 2 . . . . . . . . 6201 1 209 . 1 1 31 31 ARG HG3 H 1 1.532 0.005 . 2 . . . . . . . . 6201 1 210 . 1 1 31 31 ARG HD2 H 1 3.257 0.005 . 2 . . . . . . . . 6201 1 211 . 1 1 31 31 ARG HD3 H 1 3.104 0.005 . 2 . . . . . . . . 6201 1 212 . 1 1 31 31 ARG HE H 1 7.465 0.005 . 1 . . . . . . . . 6201 1 213 . 1 1 31 31 ARG N N 15 127.80 0.10 . 1 . . . . . . . . 6201 1 214 . 1 1 31 31 ARG NE N 15 79.10 0.005 . 1 . . . . . . . . 6201 1 215 . 1 1 32 32 TRP H H 1 9.349 0.005 . 1 . . . . . . . . 6201 1 216 . 1 1 32 32 TRP HA H 1 5.460 0.005 . 1 . . . . . . . . 6201 1 217 . 1 1 32 32 TRP HB2 H 1 3.205 0.005 . 2 . . . . . . . . 6201 1 218 . 1 1 32 32 TRP HB3 H 1 2.991 0.005 . 2 . . . . . . . . 6201 1 219 . 1 1 32 32 TRP HD1 H 1 6.834 0.005 . 1 . . . . . . . . 6201 1 220 . 1 1 32 32 TRP HE1 H 1 10.520 0.005 . 1 . . . . . . . . 6201 1 221 . 1 1 32 32 TRP HE3 H 1 7.276 0.005 . 1 . . . . . . . . 6201 1 222 . 1 1 32 32 TRP HZ2 H 1 7.365 0.005 . 1 . . . . . . . . 6201 1 223 . 1 1 32 32 TRP HZ3 H 1 6.726 0.005 . 1 . . . . . . . . 6201 1 224 . 1 1 32 32 TRP N N 15 125.55 0.10 . 1 . . . . . . . . 6201 1 225 . 1 1 32 32 TRP NE1 N 15 130.30 0.10 . 1 . . . . . . . . 6201 1 226 . 1 1 33 33 GLU H H 1 9.599 0.005 . 1 . . . . . . . . 6201 1 227 . 1 1 33 33 GLU HA H 1 5.230 0.005 . 1 . . . . . . . . 6201 1 228 . 1 1 33 33 GLU HB2 H 1 1.925 0.005 . 1 . . . . . . . . 6201 1 229 . 1 1 33 33 GLU HB3 H 1 1.925 0.005 . 1 . . . . . . . . 6201 1 230 . 1 1 33 33 GLU HG2 H 1 2.017 0.005 . 1 . . . . . . . . 6201 1 231 . 1 1 33 33 GLU HG3 H 1 2.017 0.005 . 1 . . . . . . . . 6201 1 232 . 1 1 33 33 GLU N N 15 124.10 0.10 . 1 . . . . . . . . 6201 1 233 . 1 1 34 34 ARG H H 1 8.798 0.005 . 1 . . . . . . . . 6201 1 234 . 1 1 34 34 ARG HA H 1 4.492 0.005 . 1 . . . . . . . . 6201 1 235 . 1 1 34 34 ARG HB2 H 1 1.540 0.005 . 2 . . . . . . . . 6201 1 236 . 1 1 34 34 ARG HB3 H 1 1.060 0.005 . 2 . . . . . . . . 6201 1 237 . 1 1 34 34 ARG HG2 H 1 1.059 0.005 . 2 . . . . . . . . 6201 1 238 . 1 1 34 34 ARG HG3 H 1 0.954 0.005 . 2 . . . . . . . . 6201 1 239 . 1 1 34 34 ARG HD2 H 1 2.882 0.005 . 2 . . . . . . . . 6201 1 240 . 1 1 34 34 ARG HD3 H 1 2.736 0.005 . 2 . . . . . . . . 6201 1 241 . 1 1 34 34 ARG N N 15 124.05 0.10 . 1 . . . . . . . . 6201 1 242 . 1 1 35 35 GLY H H 1 8.982 0.005 . 1 . . . . . . . . 6201 1 243 . 1 1 35 35 GLY HA2 H 1 4.032 0.005 . 2 . . . . . . . . 6201 1 244 . 1 1 35 35 GLY HA3 H 1 3.641 0.005 . 2 . . . . . . . . 6201 1 245 . 1 1 35 35 GLY N N 15 120.15 0.10 . 1 . . . . . . . . 6201 1 246 . 1 1 36 36 SER HA H 1 4.520 0.005 . 1 . . . . . . . . 6201 1 247 . 1 1 36 36 SER HB2 H 1 4.055 0.005 . 2 . . . . . . . . 6201 1 248 . 1 1 36 36 SER HB3 H 1 3.892 0.005 . 2 . . . . . . . . 6201 1 249 . 1 1 37 37 THR H H 1 8.223 0.005 . 1 . . . . . . . . 6201 1 250 . 1 1 37 37 THR HA H 1 4.361 0.005 . 1 . . . . . . . . 6201 1 251 . 1 1 37 37 THR HB H 1 4.280 0.005 . 1 . . . . . . . . 6201 1 252 . 1 1 37 37 THR HG21 H 1 1.168 0.005 . 1 . . . . . . . . 6201 1 253 . 1 1 37 37 THR HG22 H 1 1.168 0.005 . 1 . . . . . . . . 6201 1 254 . 1 1 37 37 THR HG23 H 1 1.168 0.005 . 1 . . . . . . . . 6201 1 255 . 1 1 37 37 THR N N 15 120.80 0.10 . 1 . . . . . . . . 6201 1 256 . 1 1 38 38 LEU H H 1 8.747 0.005 . 1 . . . . . . . . 6201 1 257 . 1 1 38 38 LEU HA H 1 4.353 0.005 . 1 . . . . . . . . 6201 1 258 . 1 1 38 38 LEU HB2 H 1 1.813 0.005 . 2 . . . . . . . . 6201 1 259 . 1 1 38 38 LEU HB3 H 1 1.382 0.005 . 2 . . . . . . . . 6201 1 260 . 1 1 38 38 LEU HG H 1 1.513 0.005 . 1 . . . . . . . . 6201 1 261 . 1 1 38 38 LEU HD11 H 1 0.983 0.005 . 2 . . . . . . . . 6201 1 262 . 1 1 38 38 LEU HD12 H 1 0.983 0.005 . 2 . . . . . . . . 6201 1 263 . 1 1 38 38 LEU HD13 H 1 0.983 0.005 . 2 . . . . . . . . 6201 1 264 . 1 1 38 38 LEU HD21 H 1 0.525 0.005 . 2 . . . . . . . . 6201 1 265 . 1 1 38 38 LEU HD22 H 1 0.525 0.005 . 2 . . . . . . . . 6201 1 266 . 1 1 38 38 LEU HD23 H 1 0.525 0.005 . 2 . . . . . . . . 6201 1 267 . 1 1 38 38 LEU N N 15 131.15 0.10 . 1 . . . . . . . . 6201 1 268 . 1 1 39 39 VAL H H 1 8.999 0.005 . 1 . . . . . . . . 6201 1 269 . 1 1 39 39 VAL HA H 1 4.264 0.005 . 1 . . . . . . . . 6201 1 270 . 1 1 39 39 VAL HB H 1 1.383 0.005 . 1 . . . . . . . . 6201 1 271 . 1 1 39 39 VAL HG11 H 1 0.685 0.005 . 2 . . . . . . . . 6201 1 272 . 1 1 39 39 VAL HG12 H 1 0.685 0.005 . 2 . . . . . . . . 6201 1 273 . 1 1 39 39 VAL HG13 H 1 0.685 0.005 . 2 . . . . . . . . 6201 1 274 . 1 1 39 39 VAL HG21 H 1 0.428 0.005 . 2 . . . . . . . . 6201 1 275 . 1 1 39 39 VAL HG22 H 1 0.428 0.005 . 2 . . . . . . . . 6201 1 276 . 1 1 39 39 VAL HG23 H 1 0.428 0.005 . 2 . . . . . . . . 6201 1 277 . 1 1 39 39 VAL N N 15 125.20 0.10 . 1 . . . . . . . . 6201 1 278 . 1 1 40 40 ALA H H 1 7.927 0.005 . 1 . . . . . . . . 6201 1 279 . 1 1 40 40 ALA HA H 1 5.361 0.005 . 1 . . . . . . . . 6201 1 280 . 1 1 40 40 ALA HB1 H 1 1.371 0.005 . 1 . . . . . . . . 6201 1 281 . 1 1 40 40 ALA HB2 H 1 1.371 0.005 . 1 . . . . . . . . 6201 1 282 . 1 1 40 40 ALA HB3 H 1 1.371 0.005 . 1 . . . . . . . . 6201 1 283 . 1 1 40 40 ALA N N 15 119.75 0.10 . 1 . . . . . . . . 6201 1 284 . 1 1 41 41 GLU H H 1 9.577 0.005 . 1 . . . . . . . . 6201 1 285 . 1 1 41 41 GLU HA H 1 5.591 0.005 . 1 . . . . . . . . 6201 1 286 . 1 1 41 41 GLU HB2 H 1 2.208 0.005 . 1 . . . . . . . . 6201 1 287 . 1 1 41 41 GLU HB3 H 1 2.208 0.005 . 1 . . . . . . . . 6201 1 288 . 1 1 41 41 GLU HG2 H 1 2.328 0.005 . 2 . . . . . . . . 6201 1 289 . 1 1 41 41 GLU HG3 H 1 2.148 0.005 . 2 . . . . . . . . 6201 1 290 . 1 1 41 41 GLU N N 15 122.45 0.10 . 1 . . . . . . . . 6201 1 291 . 1 1 42 42 PHE H H 1 9.465 0.005 . 1 . . . . . . . . 6201 1 292 . 1 1 42 42 PHE HA H 1 4.973 0.005 . 1 . . . . . . . . 6201 1 293 . 1 1 42 42 PHE HB2 H 1 3.194 0.005 . 2 . . . . . . . . 6201 1 294 . 1 1 42 42 PHE HB3 H 1 3.056 0.005 . 2 . . . . . . . . 6201 1 295 . 1 1 42 42 PHE HD1 H 1 7.125 0.005 . 1 . . . . . . . . 6201 1 296 . 1 1 42 42 PHE HD2 H 1 7.125 0.005 . 1 . . . . . . . . 6201 1 297 . 1 1 42 42 PHE HE1 H 1 7.281 0.005 . 1 . . . . . . . . 6201 1 298 . 1 1 42 42 PHE HE2 H 1 7.281 0.005 . 1 . . . . . . . . 6201 1 299 . 1 1 42 42 PHE N N 15 129.00 0.10 . 1 . . . . . . . . 6201 1 300 . 1 1 43 43 LYS H H 1 8.381 0.005 . 1 . . . . . . . . 6201 1 301 . 1 1 43 43 LYS HA H 1 4.904 0.005 . 1 . . . . . . . . 6201 1 302 . 1 1 43 43 LYS HB2 H 1 1.676 0.005 . 2 . . . . . . . . 6201 1 303 . 1 1 43 43 LYS HB3 H 1 1.459 0.005 . 2 . . . . . . . . 6201 1 304 . 1 1 43 43 LYS HG2 H 1 1.292 0.005 . 1 . . . . . . . . 6201 1 305 . 1 1 43 43 LYS HG3 H 1 1.292 0.005 . 1 . . . . . . . . 6201 1 306 . 1 1 43 43 LYS HE2 H 1 2.967 0.005 . 1 . . . . . . . . 6201 1 307 . 1 1 43 43 LYS HE3 H 1 2.967 0.005 . 1 . . . . . . . . 6201 1 308 . 1 1 43 43 LYS N N 15 130.10 0.10 . 1 . . . . . . . . 6201 1 309 . 1 1 44 44 ARG H H 1 8.231 0.005 . 1 . . . . . . . . 6201 1 310 . 1 1 44 44 ARG HA H 1 3.733 0.005 . 1 . . . . . . . . 6201 1 311 . 1 1 44 44 ARG HB2 H 1 2.102 0.005 . 2 . . . . . . . . 6201 1 312 . 1 1 44 44 ARG HB3 H 1 1.949 0.005 . 2 . . . . . . . . 6201 1 313 . 1 1 44 44 ARG HG2 H 1 1.853 0.005 . 2 . . . . . . . . 6201 1 314 . 1 1 44 44 ARG HG3 H 1 1.798 0.005 . 2 . . . . . . . . 6201 1 315 . 1 1 44 44 ARG HD2 H 1 3.411 0.005 . 2 . . . . . . . . 6201 1 316 . 1 1 44 44 ARG HD3 H 1 3.370 0.005 . 2 . . . . . . . . 6201 1 317 . 1 1 44 44 ARG N N 15 125.85 0.10 . 1 . . . . . . . . 6201 1 318 . 1 1 45 45 LYS H H 1 8.715 0.005 . 1 . . . . . . . . 6201 1 319 . 1 1 45 45 LYS HA H 1 3.930 0.005 . 1 . . . . . . . . 6201 1 320 . 1 1 45 45 LYS HB2 H 1 2.103 0.005 . 2 . . . . . . . . 6201 1 321 . 1 1 45 45 LYS HB3 H 1 2.058 0.005 . 2 . . . . . . . . 6201 1 322 . 1 1 45 45 LYS HG2 H 1 1.435 0.005 . 1 . . . . . . . . 6201 1 323 . 1 1 45 45 LYS HG3 H 1 1.435 0.005 . 1 . . . . . . . . 6201 1 324 . 1 1 45 45 LYS N N 15 116.90 0.10 . 1 . . . . . . . . 6201 1 325 . 1 1 46 46 MET H H 1 7.945 0.005 . 1 . . . . . . . . 6201 1 326 . 1 1 46 46 MET HA H 1 4.825 0.005 . 1 . . . . . . . . 6201 1 327 . 1 1 46 46 MET HB2 H 1 2.092 0.005 . 2 . . . . . . . . 6201 1 328 . 1 1 46 46 MET HB3 H 1 1.851 0.005 . 2 . . . . . . . . 6201 1 329 . 1 1 46 46 MET HG2 H 1 2.456 0.005 . 1 . . . . . . . . 6201 1 330 . 1 1 46 46 MET HG3 H 1 2.456 0.005 . 1 . . . . . . . . 6201 1 331 . 1 1 46 46 MET N N 15 119.15 0.10 . 1 . . . . . . . . 6201 1 332 . 1 1 47 47 LYS H H 1 8.424 0.005 . 1 . . . . . . . . 6201 1 333 . 1 1 47 47 LYS HA H 1 4.563 0.005 . 1 . . . . . . . . 6201 1 334 . 1 1 47 47 LYS HB2 H 1 1.852 0.005 . 1 . . . . . . . . 6201 1 335 . 1 1 47 47 LYS HB3 H 1 1.852 0.005 . 1 . . . . . . . . 6201 1 336 . 1 1 47 47 LYS HG2 H 1 1.610 0.005 . 1 . . . . . . . . 6201 1 337 . 1 1 47 47 LYS HG3 H 1 1.610 0.005 . 1 . . . . . . . . 6201 1 338 . 1 1 47 47 LYS N N 15 124.90 0.10 . 1 . . . . . . . . 6201 1 339 . 1 1 48 48 PRO HA H 1 4.823 0.005 . 1 . . . . . . . . 6201 1 340 . 1 1 48 48 PRO HB2 H 1 2.396 0.005 . 2 . . . . . . . . 6201 1 341 . 1 1 48 48 PRO HB3 H 1 1.850 0.005 . 2 . . . . . . . . 6201 1 342 . 1 1 48 48 PRO HG2 H 1 2.204 0.005 . 1 . . . . . . . . 6201 1 343 . 1 1 48 48 PRO HG3 H 1 2.204 0.005 . 1 . . . . . . . . 6201 1 344 . 1 1 48 48 PRO HD2 H 1 3.969 0.005 . 2 . . . . . . . . 6201 1 345 . 1 1 48 48 PRO HD3 H 1 3.753 0.005 . 2 . . . . . . . . 6201 1 346 . 1 1 49 49 PHE H H 1 8.739 0.005 . 1 . . . . . . . . 6201 1 347 . 1 1 49 49 PHE HA H 1 4.747 0.005 . 1 . . . . . . . . 6201 1 348 . 1 1 49 49 PHE HB2 H 1 3.280 0.005 . 2 . . . . . . . . 6201 1 349 . 1 1 49 49 PHE HB3 H 1 2.933 0.005 . 2 . . . . . . . . 6201 1 350 . 1 1 49 49 PHE HD1 H 1 7.037 0.005 . 1 . . . . . . . . 6201 1 351 . 1 1 49 49 PHE HD2 H 1 7.037 0.005 . 1 . . . . . . . . 6201 1 352 . 1 1 49 49 PHE HE1 H 1 7.147 0.005 . 1 . . . . . . . . 6201 1 353 . 1 1 49 49 PHE HE2 H 1 7.147 0.005 . 1 . . . . . . . . 6201 1 354 . 1 1 49 49 PHE HZ H 1 7.259 0.005 . 1 . . . . . . . . 6201 1 355 . 1 1 49 49 PHE N N 15 123.25 0.10 . 1 . . . . . . . . 6201 1 356 . 1 1 50 50 LEU H H 1 7.645 0.005 . 1 . . . . . . . . 6201 1 357 . 1 1 50 50 LEU HA H 1 4.614 0.005 . 1 . . . . . . . . 6201 1 358 . 1 1 50 50 LEU HB2 H 1 1.541 0.005 . 2 . . . . . . . . 6201 1 359 . 1 1 50 50 LEU HB3 H 1 1.518 0.005 . 2 . . . . . . . . 6201 1 360 . 1 1 50 50 LEU HG H 1 1.619 0.005 . 1 . . . . . . . . 6201 1 361 . 1 1 50 50 LEU HD11 H 1 1.059 0.005 . 2 . . . . . . . . 6201 1 362 . 1 1 50 50 LEU HD12 H 1 1.059 0.005 . 2 . . . . . . . . 6201 1 363 . 1 1 50 50 LEU HD13 H 1 1.059 0.005 . 2 . . . . . . . . 6201 1 364 . 1 1 50 50 LEU HD21 H 1 0.958 0.005 . 2 . . . . . . . . 6201 1 365 . 1 1 50 50 LEU HD22 H 1 0.958 0.005 . 2 . . . . . . . . 6201 1 366 . 1 1 50 50 LEU HD23 H 1 0.958 0.005 . 2 . . . . . . . . 6201 1 367 . 1 1 50 50 LEU N N 15 128.25 0.10 . 1 . . . . . . . . 6201 1 368 . 1 1 51 51 LYS H H 1 8.468 0.005 . 1 . . . . . . . . 6201 1 369 . 1 1 51 51 LYS HA H 1 3.794 0.005 . 1 . . . . . . . . 6201 1 370 . 1 1 51 51 LYS HB2 H 1 2.256 0.005 . 2 . . . . . . . . 6201 1 371 . 1 1 51 51 LYS HB3 H 1 1.837 0.005 . 2 . . . . . . . . 6201 1 372 . 1 1 51 51 LYS N N 15 123.25 0.10 . 1 . . . . . . . . 6201 1 373 . 1 1 52 52 SER H H 1 7.688 0.005 . 1 . . . . . . . . 6201 1 374 . 1 1 52 52 SER HA H 1 4.643 0.005 . 1 . . . . . . . . 6201 1 375 . 1 1 52 52 SER HB2 H 1 3.987 0.005 . 1 . . . . . . . . 6201 1 376 . 1 1 52 52 SER HB3 H 1 3.987 0.005 . 1 . . . . . . . . 6201 1 377 . 1 1 52 52 SER N N 15 109.75 0.10 . 1 . . . . . . . . 6201 1 378 . 1 1 53 53 GLY H H 1 8.635 0.005 . 1 . . . . . . . . 6201 1 379 . 1 1 53 53 GLY HA2 H 1 4.292 0.005 . 2 . . . . . . . . 6201 1 380 . 1 1 53 53 GLY HA3 H 1 3.797 0.005 . 2 . . . . . . . . 6201 1 381 . 1 1 54 54 ALA H H 1 8.023 0.005 . 1 . . . . . . . . 6201 1 382 . 1 1 54 54 ALA HA H 1 4.059 0.005 . 1 . . . . . . . . 6201 1 383 . 1 1 54 54 ALA HB1 H 1 0.877 0.005 . 1 . . . . . . . . 6201 1 384 . 1 1 54 54 ALA HB2 H 1 0.877 0.005 . 1 . . . . . . . . 6201 1 385 . 1 1 54 54 ALA HB3 H 1 0.877 0.005 . 1 . . . . . . . . 6201 1 386 . 1 1 54 54 ALA N N 15 122.70 0.10 . 1 . . . . . . . . 6201 1 387 . 1 1 55 55 PHE H H 1 7.222 0.005 . 1 . . . . . . . . 6201 1 388 . 1 1 55 55 PHE HA H 1 5.461 0.005 . 1 . . . . . . . . 6201 1 389 . 1 1 55 55 PHE HB2 H 1 2.982 0.005 . 2 . . . . . . . . 6201 1 390 . 1 1 55 55 PHE HB3 H 1 2.784 0.005 . 2 . . . . . . . . 6201 1 391 . 1 1 55 55 PHE HD1 H 1 7.131 0.005 . 1 . . . . . . . . 6201 1 392 . 1 1 55 55 PHE HD2 H 1 7.131 0.005 . 1 . . . . . . . . 6201 1 393 . 1 1 55 55 PHE HE1 H 1 7.278 0.005 . 1 . . . . . . . . 6201 1 394 . 1 1 55 55 PHE HE2 H 1 7.278 0.005 . 1 . . . . . . . . 6201 1 395 . 1 1 55 55 PHE HZ H 1 7.481 0.005 . 1 . . . . . . . . 6201 1 396 . 1 1 55 55 PHE N N 15 115.65 0.10 . 1 . . . . . . . . 6201 1 397 . 1 1 56 56 GLU H H 1 8.837 0.005 . 1 . . . . . . . . 6201 1 398 . 1 1 56 56 GLU HA H 1 4.482 0.005 . 1 . . . . . . . . 6201 1 399 . 1 1 56 56 GLU HB2 H 1 1.855 0.005 . 2 . . . . . . . . 6201 1 400 . 1 1 56 56 GLU HB3 H 1 1.780 0.005 . 2 . . . . . . . . 6201 1 401 . 1 1 56 56 GLU N N 15 119.75 0.10 . 1 . . . . . . . . 6201 1 402 . 1 1 57 57 ILE H H 1 8.554 0.005 . 1 . . . . . . . . 6201 1 403 . 1 1 57 57 ILE HA H 1 5.010 0.005 . 1 . . . . . . . . 6201 1 404 . 1 1 57 57 ILE HB H 1 1.597 0.005 . 1 . . . . . . . . 6201 1 405 . 1 1 57 57 ILE HG12 H 1 1.679 0.005 . 2 . . . . . . . . 6201 1 406 . 1 1 57 57 ILE HG21 H 1 1.084 0.005 . 1 . . . . . . . . 6201 1 407 . 1 1 57 57 ILE HG22 H 1 1.084 0.005 . 1 . . . . . . . . 6201 1 408 . 1 1 57 57 ILE HG23 H 1 1.084 0.005 . 1 . . . . . . . . 6201 1 409 . 1 1 57 57 ILE HD11 H 1 1.051 0.005 . 1 . . . . . . . . 6201 1 410 . 1 1 57 57 ILE HD12 H 1 1.051 0.005 . 1 . . . . . . . . 6201 1 411 . 1 1 57 57 ILE HD13 H 1 1.051 0.005 . 1 . . . . . . . . 6201 1 412 . 1 1 57 57 ILE N N 15 124.20 0.10 . 1 . . . . . . . . 6201 1 413 . 1 1 58 58 LEU H H 1 8.969 0.005 . 1 . . . . . . . . 6201 1 414 . 1 1 58 58 LEU HA H 1 4.486 0.005 . 1 . . . . . . . . 6201 1 415 . 1 1 58 58 LEU HB2 H 1 2.008 0.005 . 2 . . . . . . . . 6201 1 416 . 1 1 58 58 LEU HB3 H 1 1.695 0.005 . 2 . . . . . . . . 6201 1 417 . 1 1 58 58 LEU HG H 1 1.557 0.005 . 1 . . . . . . . . 6201 1 418 . 1 1 58 58 LEU HD11 H 1 0.846 0.005 . 2 . . . . . . . . 6201 1 419 . 1 1 58 58 LEU HD12 H 1 0.846 0.005 . 2 . . . . . . . . 6201 1 420 . 1 1 58 58 LEU HD13 H 1 0.846 0.005 . 2 . . . . . . . . 6201 1 421 . 1 1 58 58 LEU HD21 H 1 0.758 0.005 . 2 . . . . . . . . 6201 1 422 . 1 1 58 58 LEU HD22 H 1 0.758 0.005 . 2 . . . . . . . . 6201 1 423 . 1 1 58 58 LEU HD23 H 1 0.758 0.005 . 2 . . . . . . . . 6201 1 424 . 1 1 58 58 LEU N N 15 130.10 0.10 . 1 . . . . . . . . 6201 1 425 . 1 1 59 59 ALA H H 1 8.434 0.005 . 1 . . . . . . . . 6201 1 426 . 1 1 59 59 ALA HA H 1 3.994 0.005 . 1 . . . . . . . . 6201 1 427 . 1 1 59 59 ALA HB1 H 1 1.440 0.005 . 1 . . . . . . . . 6201 1 428 . 1 1 59 59 ALA HB2 H 1 1.440 0.005 . 1 . . . . . . . . 6201 1 429 . 1 1 59 59 ALA HB3 H 1 1.440 0.005 . 1 . . . . . . . . 6201 1 430 . 1 1 59 59 ALA N N 15 123.20 0.10 . 1 . . . . . . . . 6201 1 431 . 1 1 60 60 ASN H H 1 7.679 0.005 . 1 . . . . . . . . 6201 1 432 . 1 1 60 60 ASN HA H 1 4.545 0.005 . 1 . . . . . . . . 6201 1 433 . 1 1 60 60 ASN HB2 H 1 3.197 0.005 . 2 . . . . . . . . 6201 1 434 . 1 1 60 60 ASN HB3 H 1 2.829 0.005 . 2 . . . . . . . . 6201 1 435 . 1 1 60 60 ASN HD21 H 1 7.353 0.005 . 2 . . . . . . . . 6201 1 436 . 1 1 60 60 ASN HD22 H 1 6.626 0.005 . 2 . . . . . . . . 6201 1 437 . 1 1 60 60 ASN N N 15 113.05 0.10 . 1 . . . . . . . . 6201 1 438 . 1 1 60 60 ASN ND2 N 15 110.90 0.10 . 1 . . . . . . . . 6201 1 439 . 1 1 61 61 GLY H H 1 8.160 0.005 . 1 . . . . . . . . 6201 1 440 . 1 1 61 61 GLY HA2 H 1 4.293 0.005 . 2 . . . . . . . . 6201 1 441 . 1 1 61 61 GLY HA3 H 1 3.235 0.005 . 2 . . . . . . . . 6201 1 442 . 1 1 61 61 GLY N N 15 108.60 0.10 . 1 . . . . . . . . 6201 1 443 . 1 1 62 62 ASP H H 1 7.780 0.005 . 1 . . . . . . . . 6201 1 444 . 1 1 62 62 ASP HA H 1 4.705 0.005 . 1 . . . . . . . . 6201 1 445 . 1 1 62 62 ASP HB2 H 1 2.652 0.005 . 2 . . . . . . . . 6201 1 446 . 1 1 62 62 ASP HB3 H 1 2.534 0.005 . 2 . . . . . . . . 6201 1 447 . 1 1 62 62 ASP N N 15 120.00 0.10 . 1 . . . . . . . . 6201 1 448 . 1 1 63 63 LEU H H 1 7.397 0.005 . 1 . . . . . . . . 6201 1 449 . 1 1 63 63 LEU HA H 1 4.390 0.005 . 1 . . . . . . . . 6201 1 450 . 1 1 63 63 LEU HB2 H 1 0.299 0.005 . 2 . . . . . . . . 6201 1 451 . 1 1 63 63 LEU HB3 H 1 -1.129 0.005 . 2 . . . . . . . . 6201 1 452 . 1 1 63 63 LEU HG H 1 0.908 0.005 . 1 . . . . . . . . 6201 1 453 . 1 1 63 63 LEU HD11 H 1 0.426 0.005 . 2 . . . . . . . . 6201 1 454 . 1 1 63 63 LEU HD12 H 1 0.426 0.005 . 2 . . . . . . . . 6201 1 455 . 1 1 63 63 LEU HD13 H 1 0.426 0.005 . 2 . . . . . . . . 6201 1 456 . 1 1 63 63 LEU HD21 H 1 0.130 0.005 . 2 . . . . . . . . 6201 1 457 . 1 1 63 63 LEU HD22 H 1 0.130 0.005 . 2 . . . . . . . . 6201 1 458 . 1 1 63 63 LEU HD23 H 1 0.130 0.005 . 2 . . . . . . . . 6201 1 459 . 1 1 63 63 LEU N N 15 122.05 0.10 . 1 . . . . . . . . 6201 1 460 . 1 1 64 64 LYS H H 1 9.046 0.005 . 1 . . . . . . . . 6201 1 461 . 1 1 64 64 LYS HA H 1 5.055 0.005 . 1 . . . . . . . . 6201 1 462 . 1 1 64 64 LYS HB2 H 1 1.591 0.005 . 2 . . . . . . . . 6201 1 463 . 1 1 64 64 LYS HB3 H 1 1.403 0.005 . 2 . . . . . . . . 6201 1 464 . 1 1 64 64 LYS HG2 H 1 1.290 0.005 . 2 . . . . . . . . 6201 1 465 . 1 1 64 64 LYS HG3 H 1 0.857 0.005 . 2 . . . . . . . . 6201 1 466 . 1 1 64 64 LYS HD2 H 1 1.502 0.005 . 1 . . . . . . . . 6201 1 467 . 1 1 64 64 LYS HD3 H 1 1.502 0.005 . 1 . . . . . . . . 6201 1 468 . 1 1 64 64 LYS N N 15 128.50 0.10 . 1 . . . . . . . . 6201 1 469 . 1 1 65 65 ILE H H 1 8.648 0.005 . 1 . . . . . . . . 6201 1 470 . 1 1 65 65 ILE HA H 1 4.267 0.005 . 1 . . . . . . . . 6201 1 471 . 1 1 65 65 ILE HB H 1 1.627 0.005 . 1 . . . . . . . . 6201 1 472 . 1 1 65 65 ILE HG12 H 1 1.305 0.005 . 2 . . . . . . . . 6201 1 473 . 1 1 65 65 ILE HG13 H 1 0.831 0.005 . 2 . . . . . . . . 6201 1 474 . 1 1 65 65 ILE HG21 H 1 0.552 0.005 . 1 . . . . . . . . 6201 1 475 . 1 1 65 65 ILE HG22 H 1 0.552 0.005 . 1 . . . . . . . . 6201 1 476 . 1 1 65 65 ILE HG23 H 1 0.552 0.005 . 1 . . . . . . . . 6201 1 477 . 1 1 65 65 ILE HD11 H 1 0.516 0.005 . 1 . . . . . . . . 6201 1 478 . 1 1 65 65 ILE HD12 H 1 0.516 0.005 . 1 . . . . . . . . 6201 1 479 . 1 1 65 65 ILE HD13 H 1 0.516 0.005 . 1 . . . . . . . . 6201 1 480 . 1 1 65 65 ILE N N 15 127.30 0.10 . 1 . . . . . . . . 6201 1 481 . 1 1 66 66 LYS H H 1 7.940 0.005 . 1 . . . . . . . . 6201 1 482 . 1 1 66 66 LYS HA H 1 3.753 0.005 . 1 . . . . . . . . 6201 1 483 . 1 1 66 66 LYS HB2 H 1 1.717 0.005 . 2 . . . . . . . . 6201 1 484 . 1 1 66 66 LYS HB3 H 1 1.452 0.005 . 2 . . . . . . . . 6201 1 485 . 1 1 66 66 LYS HG2 H 1 1.230 0.005 . 2 . . . . . . . . 6201 1 486 . 1 1 66 66 LYS HG3 H 1 1.127 0.005 . 2 . . . . . . . . 6201 1 487 . 1 1 66 66 LYS HD2 H 1 1.680 0.005 . 1 . . . . . . . . 6201 1 488 . 1 1 66 66 LYS HD3 H 1 1.680 0.005 . 1 . . . . . . . . 6201 1 489 . 1 1 66 66 LYS N N 15 125.95 0.10 . 1 . . . . . . . . 6201 1 490 . 1 1 67 67 ASN H H 1 8.436 0.005 . 1 . . . . . . . . 6201 1 491 . 1 1 67 67 ASN HA H 1 3.967 0.005 . 1 . . . . . . . . 6201 1 492 . 1 1 67 67 ASN HB2 H 1 2.559 0.005 . 2 . . . . . . . . 6201 1 493 . 1 1 67 67 ASN HB3 H 1 2.309 0.005 . 2 . . . . . . . . 6201 1 494 . 1 1 67 67 ASN HD21 H 1 7.245 0.005 . 2 . . . . . . . . 6201 1 495 . 1 1 67 67 ASN HD22 H 1 6.559 0.005 . 2 . . . . . . . . 6201 1 496 . 1 1 67 67 ASN N N 15 117.50 0.10 . 1 . . . . . . . . 6201 1 497 . 1 1 67 67 ASN ND2 N 15 111.90 0.10 . 1 . . . . . . . . 6201 1 498 . 1 1 68 68 LEU H H 1 8.100 0.005 . 1 . . . . . . . . 6201 1 499 . 1 1 68 68 LEU HA H 1 4.075 0.005 . 1 . . . . . . . . 6201 1 500 . 1 1 68 68 LEU HB2 H 1 1.740 0.005 . 2 . . . . . . . . 6201 1 501 . 1 1 68 68 LEU HB3 H 1 1.682 0.005 . 2 . . . . . . . . 6201 1 502 . 1 1 68 68 LEU HG H 1 1.592 0.005 . 1 . . . . . . . . 6201 1 503 . 1 1 68 68 LEU HD11 H 1 0.821 0.005 . 2 . . . . . . . . 6201 1 504 . 1 1 68 68 LEU HD12 H 1 0.821 0.005 . 2 . . . . . . . . 6201 1 505 . 1 1 68 68 LEU HD13 H 1 0.821 0.005 . 2 . . . . . . . . 6201 1 506 . 1 1 68 68 LEU HD21 H 1 0.711 0.005 . 2 . . . . . . . . 6201 1 507 . 1 1 68 68 LEU HD22 H 1 0.711 0.005 . 2 . . . . . . . . 6201 1 508 . 1 1 68 68 LEU HD23 H 1 0.711 0.005 . 2 . . . . . . . . 6201 1 509 . 1 1 68 68 LEU N N 15 124.25 0.10 . 1 . . . . . . . . 6201 1 510 . 1 1 69 69 THR H H 1 9.282 0.005 . 1 . . . . . . . . 6201 1 511 . 1 1 69 69 THR HA H 1 4.779 0.005 . 1 . . . . . . . . 6201 1 512 . 1 1 69 69 THR HB H 1 4.479 0.005 . 1 . . . . . . . . 6201 1 513 . 1 1 69 69 THR HG21 H 1 1.262 0.005 . 1 . . . . . . . . 6201 1 514 . 1 1 69 69 THR HG22 H 1 1.262 0.005 . 1 . . . . . . . . 6201 1 515 . 1 1 69 69 THR HG23 H 1 1.262 0.005 . 1 . . . . . . . . 6201 1 516 . 1 1 69 69 THR N N 15 118.90 0.10 . 1 . . . . . . . . 6201 1 517 . 1 1 70 70 ARG H H 1 8.995 0.005 . 1 . . . . . . . . 6201 1 518 . 1 1 70 70 ARG HA H 1 3.870 0.005 . 1 . . . . . . . . 6201 1 519 . 1 1 70 70 ARG HB2 H 1 1.859 0.005 . 1 . . . . . . . . 6201 1 520 . 1 1 70 70 ARG HB3 H 1 1.859 0.005 . 1 . . . . . . . . 6201 1 521 . 1 1 70 70 ARG HG2 H 1 1.840 0.005 . 2 . . . . . . . . 6201 1 522 . 1 1 70 70 ARG HG3 H 1 1.687 0.005 . 2 . . . . . . . . 6201 1 523 . 1 1 70 70 ARG N N 15 121.15 0.10 . 1 . . . . . . . . 6201 1 524 . 1 1 71 71 ASP H H 1 7.849 0.005 . 1 . . . . . . . . 6201 1 525 . 1 1 71 71 ASP HA H 1 4.539 0.005 . 1 . . . . . . . . 6201 1 526 . 1 1 71 71 ASP HB2 H 1 2.743 0.005 . 2 . . . . . . . . 6201 1 527 . 1 1 71 71 ASP HB3 H 1 2.454 0.005 . 2 . . . . . . . . 6201 1 528 . 1 1 71 71 ASP N N 15 117.55 0.10 . 1 . . . . . . . . 6201 1 529 . 1 1 72 72 ASP H H 1 7.621 0.005 . 1 . . . . . . . . 6201 1 530 . 1 1 72 72 ASP HA H 1 4.811 0.005 . 1 . . . . . . . . 6201 1 531 . 1 1 72 72 ASP HB2 H 1 2.880 0.005 . 2 . . . . . . . . 6201 1 532 . 1 1 72 72 ASP HB3 H 1 2.723 0.005 . 2 . . . . . . . . 6201 1 533 . 1 1 72 72 ASP N N 15 116.70 0.10 . 1 . . . . . . . . 6201 1 534 . 1 1 73 73 SER H H 1 7.435 0.005 . 1 . . . . . . . . 6201 1 535 . 1 1 73 73 SER HA H 1 4.217 0.005 . 1 . . . . . . . . 6201 1 536 . 1 1 73 73 SER HB2 H 1 4.157 0.005 . 2 . . . . . . . . 6201 1 537 . 1 1 73 73 SER HB3 H 1 3.904 0.005 . 2 . . . . . . . . 6201 1 538 . 1 1 73 73 SER N N 15 115.55 0.10 . 1 . . . . . . . . 6201 1 539 . 1 1 74 74 GLY H H 1 8.754 0.005 . 1 . . . . . . . . 6201 1 540 . 1 1 74 74 GLY HA2 H 1 4.489 0.005 . 2 . . . . . . . . 6201 1 541 . 1 1 74 74 GLY HA3 H 1 4.143 0.005 . 2 . . . . . . . . 6201 1 542 . 1 1 74 74 GLY N N 15 111.50 0.10 . 1 . . . . . . . . 6201 1 543 . 1 1 75 75 THR H H 1 8.369 0.005 . 1 . . . . . . . . 6201 1 544 . 1 1 75 75 THR HA H 1 5.180 0.005 . 1 . . . . . . . . 6201 1 545 . 1 1 75 75 THR HB H 1 3.887 0.005 . 1 . . . . . . . . 6201 1 546 . 1 1 75 75 THR HG21 H 1 1.176 0.005 . 1 . . . . . . . . 6201 1 547 . 1 1 75 75 THR HG22 H 1 1.176 0.005 . 1 . . . . . . . . 6201 1 548 . 1 1 75 75 THR HG23 H 1 1.176 0.005 . 1 . . . . . . . . 6201 1 549 . 1 1 75 75 THR N N 15 118.05 0.10 . 1 . . . . . . . . 6201 1 550 . 1 1 76 76 TYR H H 1 9.942 0.005 . 1 . . . . . . . . 6201 1 551 . 1 1 76 76 TYR HA H 1 5.212 0.005 . 1 . . . . . . . . 6201 1 552 . 1 1 76 76 TYR HB2 H 1 3.167 0.005 . 2 . . . . . . . . 6201 1 553 . 1 1 76 76 TYR HB3 H 1 3.020 0.005 . 2 . . . . . . . . 6201 1 554 . 1 1 76 76 TYR HD1 H 1 7.058 0.005 . 1 . . . . . . . . 6201 1 555 . 1 1 76 76 TYR HD2 H 1 7.058 0.005 . 1 . . . . . . . . 6201 1 556 . 1 1 76 76 TYR HE1 H 1 6.680 0.005 . 1 . . . . . . . . 6201 1 557 . 1 1 76 76 TYR HE2 H 1 6.680 0.005 . 1 . . . . . . . . 6201 1 558 . 1 1 76 76 TYR HH H 1 9.964 0.005 . 1 . . . . . . . . 6201 1 559 . 1 1 76 76 TYR N N 15 130.55 0.10 . 1 . . . . . . . . 6201 1 560 . 1 1 77 77 ASN H H 1 9.632 0.005 . 1 . . . . . . . . 6201 1 561 . 1 1 77 77 ASN HA H 1 5.605 0.005 . 1 . . . . . . . . 6201 1 562 . 1 1 77 77 ASN HB2 H 1 2.598 0.005 . 2 . . . . . . . . 6201 1 563 . 1 1 77 77 ASN HB3 H 1 2.544 0.005 . 2 . . . . . . . . 6201 1 564 . 1 1 77 77 ASN HD21 H 1 7.266 0.005 . 2 . . . . . . . . 6201 1 565 . 1 1 77 77 ASN HD22 H 1 6.865 0.005 . 2 . . . . . . . . 6201 1 566 . 1 1 77 77 ASN N N 15 122.05 0.10 . 1 . . . . . . . . 6201 1 567 . 1 1 77 77 ASN ND2 N 15 113.95 0.10 . 1 . . . . . . . . 6201 1 568 . 1 1 78 78 VAL H H 1 9.141 0.005 . 1 . . . . . . . . 6201 1 569 . 1 1 78 78 VAL HA H 1 5.065 0.005 . 1 . . . . . . . . 6201 1 570 . 1 1 78 78 VAL HB H 1 -0.379 0.005 . 1 . . . . . . . . 6201 1 571 . 1 1 78 78 VAL HG11 H 1 0.264 0.005 . 2 . . . . . . . . 6201 1 572 . 1 1 78 78 VAL HG12 H 1 0.264 0.005 . 2 . . . . . . . . 6201 1 573 . 1 1 78 78 VAL HG13 H 1 0.264 0.005 . 2 . . . . . . . . 6201 1 574 . 1 1 78 78 VAL HG21 H 1 -0.378 0.005 . 2 . . . . . . . . 6201 1 575 . 1 1 78 78 VAL HG22 H 1 -0.378 0.005 . 2 . . . . . . . . 6201 1 576 . 1 1 78 78 VAL HG23 H 1 -0.378 0.005 . 2 . . . . . . . . 6201 1 577 . 1 1 78 78 VAL N N 15 126.60 0.10 . 1 . . . . . . . . 6201 1 578 . 1 1 79 79 THR H H 1 8.401 0.005 . 1 . . . . . . . . 6201 1 579 . 1 1 79 79 THR HA H 1 4.880 0.005 . 1 . . . . . . . . 6201 1 580 . 1 1 79 79 THR HB H 1 3.658 0.005 . 1 . . . . . . . . 6201 1 581 . 1 1 79 79 THR HG21 H 1 0.997 0.005 . 1 . . . . . . . . 6201 1 582 . 1 1 79 79 THR HG22 H 1 0.997 0.005 . 1 . . . . . . . . 6201 1 583 . 1 1 79 79 THR HG23 H 1 0.997 0.005 . 1 . . . . . . . . 6201 1 584 . 1 1 79 79 THR N N 15 121.95 0.10 . 1 . . . . . . . . 6201 1 585 . 1 1 80 80 VAL H H 1 7.783 0.005 . 1 . . . . . . . . 6201 1 586 . 1 1 80 80 VAL HA H 1 4.996 0.005 . 1 . . . . . . . . 6201 1 587 . 1 1 80 80 VAL HB H 1 1.585 0.005 . 1 . . . . . . . . 6201 1 588 . 1 1 80 80 VAL HG11 H 1 1.080 0.005 . 2 . . . . . . . . 6201 1 589 . 1 1 80 80 VAL HG12 H 1 1.080 0.005 . 2 . . . . . . . . 6201 1 590 . 1 1 80 80 VAL HG13 H 1 1.080 0.005 . 2 . . . . . . . . 6201 1 591 . 1 1 80 80 VAL HG21 H 1 0.387 0.005 . 2 . . . . . . . . 6201 1 592 . 1 1 80 80 VAL HG22 H 1 0.387 0.005 . 2 . . . . . . . . 6201 1 593 . 1 1 80 80 VAL HG23 H 1 0.387 0.005 . 2 . . . . . . . . 6201 1 594 . 1 1 80 80 VAL N N 15 124.20 0.10 . 1 . . . . . . . . 6201 1 595 . 1 1 81 81 TYR H H 1 9.260 0.005 . 1 . . . . . . . . 6201 1 596 . 1 1 81 81 TYR HA H 1 5.594 0.005 . 1 . . . . . . . . 6201 1 597 . 1 1 81 81 TYR HB2 H 1 3.011 0.005 . 2 . . . . . . . . 6201 1 598 . 1 1 81 81 TYR HB3 H 1 2.889 0.005 . 2 . . . . . . . . 6201 1 599 . 1 1 81 81 TYR HD1 H 1 6.845 0.005 . 1 . . . . . . . . 6201 1 600 . 1 1 81 81 TYR HD2 H 1 6.845 0.005 . 1 . . . . . . . . 6201 1 601 . 1 1 81 81 TYR HE1 H 1 6.656 0.005 . 1 . . . . . . . . 6201 1 602 . 1 1 81 81 TYR HE2 H 1 6.656 0.005 . 1 . . . . . . . . 6201 1 603 . 1 1 81 81 TYR N N 15 125.75 0.10 . 1 . . . . . . . . 6201 1 604 . 1 1 82 82 SER H H 1 9.282 0.005 . 1 . . . . . . . . 6201 1 605 . 1 1 82 82 SER HA H 1 5.358 0.005 . 1 . . . . . . . . 6201 1 606 . 1 1 82 82 SER HB2 H 1 4.482 0.005 . 2 . . . . . . . . 6201 1 607 . 1 1 82 82 SER HB3 H 1 3.932 0.005 . 2 . . . . . . . . 6201 1 608 . 1 1 82 82 SER N N 15 119.40 0.10 . 1 . . . . . . . . 6201 1 609 . 1 1 83 83 THR H H 1 8.759 0.005 . 1 . . . . . . . . 6201 1 610 . 1 1 83 83 THR HA H 1 3.985 0.005 . 1 . . . . . . . . 6201 1 611 . 1 1 83 83 THR HB H 1 4.344 0.005 . 1 . . . . . . . . 6201 1 612 . 1 1 83 83 THR HG21 H 1 1.295 0.005 . 1 . . . . . . . . 6201 1 613 . 1 1 83 83 THR HG22 H 1 1.295 0.005 . 1 . . . . . . . . 6201 1 614 . 1 1 83 83 THR HG23 H 1 1.295 0.005 . 1 . . . . . . . . 6201 1 615 . 1 1 83 83 THR N N 15 116.75 0.10 . 1 . . . . . . . . 6201 1 616 . 1 1 84 84 ASN H H 1 8.335 0.005 . 1 . . . . . . . . 6201 1 617 . 1 1 84 84 ASN HA H 1 4.824 0.005 . 1 . . . . . . . . 6201 1 618 . 1 1 84 84 ASN HD21 H 1 7.654 0.005 . 2 . . . . . . . . 6201 1 619 . 1 1 84 84 ASN HD22 H 1 6.938 0.005 . 2 . . . . . . . . 6201 1 620 . 1 1 84 84 ASN N N 15 117.40 0.10 . 1 . . . . . . . . 6201 1 621 . 1 1 84 84 ASN ND2 N 15 112.65 0.10 . 1 . . . . . . . . 6201 1 622 . 1 1 85 85 GLY H H 1 8.252 0.005 . 1 . . . . . . . . 6201 1 623 . 1 1 85 85 GLY HA2 H 1 4.321 0.005 . 2 . . . . . . . . 6201 1 624 . 1 1 85 85 GLY HA3 H 1 3.789 0.005 . 2 . . . . . . . . 6201 1 625 . 1 1 85 85 GLY N N 15 108.85 0.10 . 1 . . . . . . . . 6201 1 626 . 1 1 86 86 THR H H 1 7.740 0.005 . 1 . . . . . . . . 6201 1 627 . 1 1 86 86 THR HA H 1 4.188 0.005 . 1 . . . . . . . . 6201 1 628 . 1 1 86 86 THR HB H 1 4.176 0.005 . 1 . . . . . . . . 6201 1 629 . 1 1 86 86 THR HG21 H 1 1.151 0.005 . 1 . . . . . . . . 6201 1 630 . 1 1 86 86 THR HG22 H 1 1.151 0.005 . 1 . . . . . . . . 6201 1 631 . 1 1 86 86 THR HG23 H 1 1.151 0.005 . 1 . . . . . . . . 6201 1 632 . 1 1 86 86 THR N N 15 117.75 0.10 . 1 . . . . . . . . 6201 1 633 . 1 1 87 87 ARG H H 1 8.985 0.005 . 1 . . . . . . . . 6201 1 634 . 1 1 87 87 ARG HA H 1 4.114 0.005 . 1 . . . . . . . . 6201 1 635 . 1 1 87 87 ARG HB2 H 1 1.582 0.005 . 1 . . . . . . . . 6201 1 636 . 1 1 87 87 ARG HB3 H 1 1.582 0.005 . 1 . . . . . . . . 6201 1 637 . 1 1 87 87 ARG HG2 H 1 1.051 0.005 . 2 . . . . . . . . 6201 1 638 . 1 1 87 87 ARG HG3 H 1 0.995 0.005 . 2 . . . . . . . . 6201 1 639 . 1 1 87 87 ARG HD2 H 1 3.070 0.005 . 1 . . . . . . . . 6201 1 640 . 1 1 87 87 ARG HD3 H 1 3.070 0.005 . 1 . . . . . . . . 6201 1 641 . 1 1 87 87 ARG N N 15 128.85 0.10 . 1 . . . . . . . . 6201 1 642 . 1 1 88 88 ILE H H 1 8.674 0.005 . 1 . . . . . . . . 6201 1 643 . 1 1 88 88 ILE HA H 1 4.181 0.005 . 1 . . . . . . . . 6201 1 644 . 1 1 88 88 ILE HB H 1 1.798 0.005 . 1 . . . . . . . . 6201 1 645 . 1 1 88 88 ILE HG12 H 1 1.141 0.005 . 2 . . . . . . . . 6201 1 646 . 1 1 88 88 ILE HG21 H 1 0.949 0.005 . 1 . . . . . . . . 6201 1 647 . 1 1 88 88 ILE HG22 H 1 0.949 0.005 . 1 . . . . . . . . 6201 1 648 . 1 1 88 88 ILE HG23 H 1 0.949 0.005 . 1 . . . . . . . . 6201 1 649 . 1 1 88 88 ILE N N 15 128.05 0.10 . 1 . . . . . . . . 6201 1 650 . 1 1 89 89 LEU H H 1 7.201 0.005 . 1 . . . . . . . . 6201 1 651 . 1 1 89 89 LEU HA H 1 4.476 0.005 . 1 . . . . . . . . 6201 1 652 . 1 1 89 89 LEU HB2 H 1 1.467 0.005 . 2 . . . . . . . . 6201 1 653 . 1 1 89 89 LEU HB3 H 1 1.398 0.005 . 2 . . . . . . . . 6201 1 654 . 1 1 89 89 LEU HD11 H 1 0.706 0.005 . 2 . . . . . . . . 6201 1 655 . 1 1 89 89 LEU HD12 H 1 0.706 0.005 . 2 . . . . . . . . 6201 1 656 . 1 1 89 89 LEU HD13 H 1 0.706 0.005 . 2 . . . . . . . . 6201 1 657 . 1 1 89 89 LEU HD21 H 1 0.549 0.005 . 2 . . . . . . . . 6201 1 658 . 1 1 89 89 LEU HD22 H 1 0.549 0.005 . 2 . . . . . . . . 6201 1 659 . 1 1 89 89 LEU HD23 H 1 0.549 0.005 . 2 . . . . . . . . 6201 1 660 . 1 1 89 89 LEU N N 15 119.30 0.10 . 1 . . . . . . . . 6201 1 661 . 1 1 90 90 ASN H H 1 8.397 0.005 . 1 . . . . . . . . 6201 1 662 . 1 1 90 90 ASN HA H 1 5.395 0.005 . 1 . . . . . . . . 6201 1 663 . 1 1 90 90 ASN HB2 H 1 2.566 0.005 . 2 . . . . . . . . 6201 1 664 . 1 1 90 90 ASN HB3 H 1 2.455 0.005 . 2 . . . . . . . . 6201 1 665 . 1 1 90 90 ASN HD21 H 1 7.214 0.005 . 2 . . . . . . . . 6201 1 666 . 1 1 90 90 ASN HD22 H 1 6.835 0.005 . 2 . . . . . . . . 6201 1 667 . 1 1 90 90 ASN N N 15 122.80 0.10 . 1 . . . . . . . . 6201 1 668 . 1 1 90 90 ASN ND2 N 15 113.00 0.10 . 1 . . . . . . . . 6201 1 669 . 1 1 91 91 LYS H H 1 8.679 0.005 . 1 . . . . . . . . 6201 1 670 . 1 1 91 91 LYS HA H 1 4.729 0.005 . 1 . . . . . . . . 6201 1 671 . 1 1 91 91 LYS HB2 H 1 1.680 0.005 . 2 . . . . . . . . 6201 1 672 . 1 1 91 91 LYS HB3 H 1 1.403 0.005 . 2 . . . . . . . . 6201 1 673 . 1 1 91 91 LYS HG2 H 1 1.301 0.005 . 1 . . . . . . . . 6201 1 674 . 1 1 91 91 LYS HG3 H 1 1.301 0.005 . 1 . . . . . . . . 6201 1 675 . 1 1 91 91 LYS N N 15 125.10 0.10 . 1 . . . . . . . . 6201 1 676 . 1 1 92 92 ALA H H 1 8.278 0.005 . 1 . . . . . . . . 6201 1 677 . 1 1 92 92 ALA HA H 1 5.478 0.005 . 1 . . . . . . . . 6201 1 678 . 1 1 92 92 ALA HB1 H 1 1.294 0.005 . 1 . . . . . . . . 6201 1 679 . 1 1 92 92 ALA HB2 H 1 1.294 0.005 . 1 . . . . . . . . 6201 1 680 . 1 1 92 92 ALA HB3 H 1 1.294 0.005 . 1 . . . . . . . . 6201 1 681 . 1 1 92 92 ALA N N 15 125.80 0.10 . 1 . . . . . . . . 6201 1 682 . 1 1 93 93 LEU H H 1 9.455 0.005 . 1 . . . . . . . . 6201 1 683 . 1 1 93 93 LEU HA H 1 4.903 0.005 . 1 . . . . . . . . 6201 1 684 . 1 1 93 93 LEU HB2 H 1 1.770 0.005 . 2 . . . . . . . . 6201 1 685 . 1 1 93 93 LEU HB3 H 1 1.528 0.005 . 2 . . . . . . . . 6201 1 686 . 1 1 93 93 LEU HG H 1 1.736 0.005 . 1 . . . . . . . . 6201 1 687 . 1 1 93 93 LEU HD11 H 1 1.027 0.005 . 2 . . . . . . . . 6201 1 688 . 1 1 93 93 LEU HD12 H 1 1.027 0.005 . 2 . . . . . . . . 6201 1 689 . 1 1 93 93 LEU HD13 H 1 1.027 0.005 . 2 . . . . . . . . 6201 1 690 . 1 1 93 93 LEU HD21 H 1 0.991 0.005 . 2 . . . . . . . . 6201 1 691 . 1 1 93 93 LEU HD22 H 1 0.991 0.005 . 2 . . . . . . . . 6201 1 692 . 1 1 93 93 LEU HD23 H 1 0.991 0.005 . 2 . . . . . . . . 6201 1 693 . 1 1 93 93 LEU N N 15 124.75 0.10 . 1 . . . . . . . . 6201 1 694 . 1 1 94 94 ASP H H 1 8.715 0.005 . 1 . . . . . . . . 6201 1 695 . 1 1 94 94 ASP HA H 1 5.092 0.005 . 1 . . . . . . . . 6201 1 696 . 1 1 94 94 ASP HB2 H 1 2.700 0.005 . 2 . . . . . . . . 6201 1 697 . 1 1 94 94 ASP HB3 H 1 2.529 0.005 . 2 . . . . . . . . 6201 1 698 . 1 1 94 94 ASP N N 15 124.60 0.10 . 1 . . . . . . . . 6201 1 699 . 1 1 95 95 LEU H H 1 8.999 0.005 . 1 . . . . . . . . 6201 1 700 . 1 1 95 95 LEU HA H 1 4.998 0.005 . 1 . . . . . . . . 6201 1 701 . 1 1 95 95 LEU HB2 H 1 2.353 0.005 . 2 . . . . . . . . 6201 1 702 . 1 1 95 95 LEU HB3 H 1 1.160 0.005 . 2 . . . . . . . . 6201 1 703 . 1 1 95 95 LEU HG H 1 1.284 0.005 . 1 . . . . . . . . 6201 1 704 . 1 1 95 95 LEU HD11 H 1 0.758 0.005 . 2 . . . . . . . . 6201 1 705 . 1 1 95 95 LEU HD12 H 1 0.758 0.005 . 2 . . . . . . . . 6201 1 706 . 1 1 95 95 LEU HD13 H 1 0.758 0.005 . 2 . . . . . . . . 6201 1 707 . 1 1 95 95 LEU HD21 H 1 0.706 0.005 . 2 . . . . . . . . 6201 1 708 . 1 1 95 95 LEU HD22 H 1 0.706 0.005 . 2 . . . . . . . . 6201 1 709 . 1 1 95 95 LEU HD23 H 1 0.706 0.005 . 2 . . . . . . . . 6201 1 710 . 1 1 95 95 LEU N N 15 128.55 0.10 . 1 . . . . . . . . 6201 1 711 . 1 1 96 96 ARG H H 1 8.909 0.005 . 1 . . . . . . . . 6201 1 712 . 1 1 96 96 ARG HA H 1 4.494 0.005 . 1 . . . . . . . . 6201 1 713 . 1 1 96 96 ARG HB2 H 1 1.139 0.005 . 2 . . . . . . . . 6201 1 714 . 1 1 96 96 ARG HB3 H 1 0.159 0.005 . 2 . . . . . . . . 6201 1 715 . 1 1 96 96 ARG HG2 H 1 1.171 0.005 . 2 . . . . . . . . 6201 1 716 . 1 1 96 96 ARG HG3 H 1 0.932 0.005 . 2 . . . . . . . . 6201 1 717 . 1 1 96 96 ARG HD2 H 1 2.728 0.005 . 2 . . . . . . . . 6201 1 718 . 1 1 96 96 ARG HD3 H 1 2.652 0.005 . 2 . . . . . . . . 6201 1 719 . 1 1 96 96 ARG N N 15 129.70 0.10 . 1 . . . . . . . . 6201 1 720 . 1 1 97 97 ILE H H 1 8.398 0.005 . 1 . . . . . . . . 6201 1 721 . 1 1 97 97 ILE HA H 1 4.703 0.005 . 1 . . . . . . . . 6201 1 722 . 1 1 97 97 ILE HB H 1 1.954 0.005 . 1 . . . . . . . . 6201 1 723 . 1 1 97 97 ILE HG12 H 1 1.304 0.005 . 1 . . . . . . . . 6201 1 724 . 1 1 97 97 ILE HG13 H 1 1.304 0.005 . 1 . . . . . . . . 6201 1 725 . 1 1 97 97 ILE HG21 H 1 0.876 0.005 . 1 . . . . . . . . 6201 1 726 . 1 1 97 97 ILE HG22 H 1 0.876 0.005 . 1 . . . . . . . . 6201 1 727 . 1 1 97 97 ILE HG23 H 1 0.876 0.005 . 1 . . . . . . . . 6201 1 728 . 1 1 97 97 ILE HD11 H 1 0.701 0.005 . 1 . . . . . . . . 6201 1 729 . 1 1 97 97 ILE HD12 H 1 0.701 0.005 . 1 . . . . . . . . 6201 1 730 . 1 1 97 97 ILE HD13 H 1 0.701 0.005 . 1 . . . . . . . . 6201 1 731 . 1 1 97 97 ILE N N 15 121.05 0.10 . 1 . . . . . . . . 6201 1 732 . 1 1 98 98 LEU H H 1 8.858 0.005 . 1 . . . . . . . . 6201 1 733 . 1 1 98 98 LEU HA H 1 4.502 0.005 . 1 . . . . . . . . 6201 1 734 . 1 1 98 98 LEU HB2 H 1 1.671 0.005 . 2 . . . . . . . . 6201 1 735 . 1 1 98 98 LEU HB3 H 1 1.595 0.005 . 2 . . . . . . . . 6201 1 736 . 1 1 98 98 LEU HG H 1 1.676 0.005 . 1 . . . . . . . . 6201 1 737 . 1 1 98 98 LEU HD11 H 1 0.762 0.005 . 1 . . . . . . . . 6201 1 738 . 1 1 98 98 LEU HD12 H 1 0.762 0.005 . 1 . . . . . . . . 6201 1 739 . 1 1 98 98 LEU HD13 H 1 0.762 0.005 . 1 . . . . . . . . 6201 1 740 . 1 1 98 98 LEU HD21 H 1 0.762 0.005 . 1 . . . . . . . . 6201 1 741 . 1 1 98 98 LEU HD22 H 1 0.762 0.005 . 1 . . . . . . . . 6201 1 742 . 1 1 98 98 LEU HD23 H 1 0.762 0.005 . 1 . . . . . . . . 6201 1 743 . 1 1 98 98 LEU N N 15 130.85 0.10 . 1 . . . . . . . . 6201 1 744 . 1 1 99 99 GLU H H 1 8.112 0.005 . 1 . . . . . . . . 6201 1 745 . 1 1 99 99 GLU HA H 1 4.232 0.005 . 1 . . . . . . . . 6201 1 746 . 1 1 99 99 GLU HB2 H 1 2.095 0.005 . 2 . . . . . . . . 6201 1 747 . 1 1 99 99 GLU HB3 H 1 1.942 0.005 . 2 . . . . . . . . 6201 1 748 . 1 1 99 99 GLU HG2 H 1 2.267 0.005 . 1 . . . . . . . . 6201 1 749 . 1 1 99 99 GLU HG3 H 1 2.267 0.005 . 1 . . . . . . . . 6201 1 750 . 1 1 99 99 GLU N N 15 130.10 0.10 . 1 . . . . . . . . 6201 1 stop_ save_ save_shift_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_2 _Assigned_chem_shift_list.Entry_ID 6201 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_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 . . 2 $sample_2 . 6201 2 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 5 5 THR H H 1 8.041 0.005 . 1 . . . . . . . . 6201 2 2 . 1 1 5 5 THR HA H 1 4.924 0.005 . 1 . . . . . . . . 6201 2 3 . 1 1 5 5 THR HB H 1 3.795 0.005 . 1 . . . . . . . . 6201 2 4 . 1 1 5 5 THR HG21 H 1 0.489 0.005 . 1 . . . . . . . . 6201 2 5 . 1 1 5 5 THR HG22 H 1 0.489 0.005 . 1 . . . . . . . . 6201 2 6 . 1 1 5 5 THR HG23 H 1 0.489 0.005 . 1 . . . . . . . . 6201 2 7 . 1 1 5 5 THR N N 15 119.00 0.10 . 1 . . . . . . . . 6201 2 8 . 1 1 6 6 VAL H H 1 9.031 0.005 . 1 . . . . . . . . 6201 2 9 . 1 1 6 6 VAL HA H 1 4.316 0.005 . 1 . . . . . . . . 6201 2 10 . 1 1 6 6 VAL HB H 1 1.828 0.005 . 1 . . . . . . . . 6201 2 11 . 1 1 6 6 VAL HG11 H 1 0.935 0.005 . 2 . . . . . . . . 6201 2 12 . 1 1 6 6 VAL HG12 H 1 0.935 0.005 . 2 . . . . . . . . 6201 2 13 . 1 1 6 6 VAL HG13 H 1 0.935 0.005 . 2 . . . . . . . . 6201 2 14 . 1 1 6 6 VAL HG21 H 1 0.914 0.005 . 2 . . . . . . . . 6201 2 15 . 1 1 6 6 VAL HG22 H 1 0.914 0.005 . 2 . . . . . . . . 6201 2 16 . 1 1 6 6 VAL HG23 H 1 0.914 0.005 . 2 . . . . . . . . 6201 2 17 . 1 1 6 6 VAL N N 15 128.90 0.10 . 1 . . . . . . . . 6201 2 18 . 1 1 7 7 TRP H H 1 8.534 0.005 . 1 . . . . . . . . 6201 2 19 . 1 1 7 7 TRP HA H 1 5.288 0.005 . 1 . . . . . . . . 6201 2 20 . 1 1 7 7 TRP HB2 H 1 3.005 0.005 . 2 . . . . . . . . 6201 2 21 . 1 1 7 7 TRP HD1 H 1 7.161 0.005 . 1 . . . . . . . . 6201 2 22 . 1 1 7 7 TRP HE1 H 1 10.180 0.10 . 1 . . . . . . . . 6201 2 23 . 1 1 7 7 TRP HE3 H 1 7.332 0.005 . 1 . . . . . . . . 6201 2 24 . 1 1 7 7 TRP HZ2 H 1 7.473 0.005 . 1 . . . . . . . . 6201 2 25 . 1 1 7 7 TRP HZ3 H 1 7.093 0.005 . 1 . . . . . . . . 6201 2 26 . 1 1 7 7 TRP HH2 H 1 7.213 0.005 . 1 . . . . . . . . 6201 2 27 . 1 1 7 7 TRP N N 15 126.80 0.10 . 1 . . . . . . . . 6201 2 28 . 1 1 7 7 TRP NE1 N 15 130.45 0.10 . 1 . . . . . . . . 6201 2 29 . 1 1 8 8 GLY H H 1 8.883 0.005 . 1 . . . . . . . . 6201 2 30 . 1 1 8 8 GLY HA2 H 1 4.646 0.005 . 2 . . . . . . . . 6201 2 31 . 1 1 8 8 GLY HA3 H 1 3.277 0.005 . 2 . . . . . . . . 6201 2 32 . 1 1 8 8 GLY N N 15 109.80 0.10 . 1 . . . . . . . . 6201 2 33 . 1 1 9 9 ALA H H 1 8.323 0.005 . 1 . . . . . . . . 6201 2 34 . 1 1 9 9 ALA HA H 1 4.879 0.005 . 1 . . . . . . . . 6201 2 35 . 1 1 9 9 ALA HB1 H 1 1.155 0.005 . 1 . . . . . . . . 6201 2 36 . 1 1 9 9 ALA HB2 H 1 1.155 0.005 . 1 . . . . . . . . 6201 2 37 . 1 1 9 9 ALA HB3 H 1 1.155 0.005 . 1 . . . . . . . . 6201 2 38 . 1 1 9 9 ALA N N 15 125.25 0.10 . 1 . . . . . . . . 6201 2 39 . 1 1 10 10 LEU H H 1 8.677 0.005 . 1 . . . . . . . . 6201 2 40 . 1 1 10 10 LEU HA H 1 3.803 0.005 . 1 . . . . . . . . 6201 2 41 . 1 1 10 10 LEU N N 15 123.10 0.10 . 1 . . . . . . . . 6201 2 42 . 1 1 11 11 GLY H H 1 9.352 0.005 . 1 . . . . . . . . 6201 2 43 . 1 1 11 11 GLY HA2 H 1 4.083 0.005 . 2 . . . . . . . . 6201 2 44 . 1 1 11 11 GLY HA3 H 1 3.861 0.005 . 2 . . . . . . . . 6201 2 45 . 1 1 11 11 GLY N N 15 112.65 0.10 . 1 . . . . . . . . 6201 2 46 . 1 1 12 12 HIS H H 1 7.906 0.005 . 1 . . . . . . . . 6201 2 47 . 1 1 12 12 HIS HA H 1 4.904 0.005 . 1 . . . . . . . . 6201 2 48 . 1 1 12 12 HIS HB2 H 1 3.249 0.005 . 2 . . . . . . . . 6201 2 49 . 1 1 12 12 HIS HB3 H 1 3.352 0.005 . 2 . . . . . . . . 6201 2 50 . 1 1 12 12 HIS HD2 H 1 7.058 0.005 . 1 . . . . . . . . 6201 2 51 . 1 1 12 12 HIS HE1 H 1 8.114 0.005 . 1 . . . . . . . . 6201 2 52 . 1 1 12 12 HIS N N 15 119.20 0.10 . 1 . . . . . . . . 6201 2 53 . 1 1 13 13 GLY H H 1 8.593 0.005 . 1 . . . . . . . . 6201 2 54 . 1 1 13 13 GLY HA2 H 1 4.703 0.005 . 2 . . . . . . . . 6201 2 55 . 1 1 13 13 GLY HA3 H 1 3.561 0.005 . 2 . . . . . . . . 6201 2 56 . 1 1 13 13 GLY N N 15 110.20 0.10 . 1 . . . . . . . . 6201 2 57 . 1 1 14 14 ILE H H 1 8.710 0.005 . 1 . . . . . . . . 6201 2 58 . 1 1 14 14 ILE HA H 1 4.527 0.005 . 1 . . . . . . . . 6201 2 59 . 1 1 14 14 ILE HB H 1 1.838 0.005 . 1 . . . . . . . . 6201 2 60 . 1 1 14 14 ILE HG21 H 1 0.755 0.005 . 1 . . . . . . . . 6201 2 61 . 1 1 14 14 ILE HG22 H 1 0.755 0.005 . 1 . . . . . . . . 6201 2 62 . 1 1 14 14 ILE HG23 H 1 0.755 0.005 . 1 . . . . . . . . 6201 2 63 . 1 1 14 14 ILE N N 15 119.75 0.10 . 1 . . . . . . . . 6201 2 64 . 1 1 15 15 ASP H H 1 7.728 0.005 . 1 . . . . . . . . 6201 2 65 . 1 1 15 15 ASP HA H 1 5.196 0.005 . 1 . . . . . . . . 6201 2 66 . 1 1 15 15 ASP HB2 H 1 2.281 0.005 . 2 . . . . . . . . 6201 2 67 . 1 1 15 15 ASP HB3 H 1 2.438 0.005 . 2 . . . . . . . . 6201 2 68 . 1 1 15 15 ASP N N 15 125.85 0.10 . 1 . . . . . . . . 6201 2 69 . 1 1 16 16 LEU H H 1 9.393 0.005 . 1 . . . . . . . . 6201 2 70 . 1 1 16 16 LEU HA H 1 4.249 0.005 . 1 . . . . . . . . 6201 2 71 . 1 1 16 16 LEU HB3 H 1 1.290 0.005 . 2 . . . . . . . . 6201 2 72 . 1 1 16 16 LEU N N 15 127.10 0.10 . 1 . . . . . . . . 6201 2 73 . 1 1 17 17 ASP H H 1 8.043 0.005 . 1 . . . . . . . . 6201 2 74 . 1 1 17 17 ASP HA H 1 4.784 0.005 . 1 . . . . . . . . 6201 2 75 . 1 1 17 17 ASP HB2 H 1 2.532 0.005 . 1 . . . . . . . . 6201 2 76 . 1 1 17 17 ASP HB3 H 1 2.532 0.005 . 1 . . . . . . . . 6201 2 77 . 1 1 17 17 ASP N N 15 120.85 0.10 . 1 . . . . . . . . 6201 2 78 . 1 1 18 18 ILE H H 1 8.149 0.005 . 1 . . . . . . . . 6201 2 79 . 1 1 18 18 ILE N N 15 122.55 0.10 . 1 . . . . . . . . 6201 2 80 . 1 1 20 20 ASN H H 1 8.883 0.005 . 1 . . . . . . . . 6201 2 81 . 1 1 20 20 ASN HA H 1 4.290 0.005 . 1 . . . . . . . . 6201 2 82 . 1 1 20 20 ASN HB2 H 1 2.753 0.005 . 2 . . . . . . . . 6201 2 83 . 1 1 20 20 ASN HD21 H 1 7.607 0.005 . 2 . . . . . . . . 6201 2 84 . 1 1 20 20 ASN HD22 H 1 6.958 0.005 . 2 . . . . . . . . 6201 2 85 . 1 1 20 20 ASN N N 15 117.65 0.10 . 1 . . . . . . . . 6201 2 86 . 1 1 20 20 ASN ND2 N 15 113.90 0.10 . 1 . . . . . . . . 6201 2 87 . 1 1 21 21 PHE H H 1 7.615 0.005 . 1 . . . . . . . . 6201 2 88 . 1 1 21 21 PHE HA H 1 4.732 0.005 . 1 . . . . . . . . 6201 2 89 . 1 1 21 21 PHE HB3 H 1 2.785 0.005 . 2 . . . . . . . . 6201 2 90 . 1 1 21 21 PHE HD1 H 1 7.216 0.005 . 1 . . . . . . . . 6201 2 91 . 1 1 21 21 PHE HD2 H 1 7.216 0.005 . 1 . . . . . . . . 6201 2 92 . 1 1 21 21 PHE HZ H 1 7.090 0.005 . 1 . . . . . . . . 6201 2 93 . 1 1 21 21 PHE N N 15 119.30 0.10 . 1 . . . . . . . . 6201 2 94 . 1 1 22 22 GLN H H 1 7.045 0.005 . 1 . . . . . . . . 6201 2 95 . 1 1 22 22 GLN HA H 1 4.261 0.005 . 1 . . . . . . . . 6201 2 96 . 1 1 22 22 GLN HB2 H 1 1.738 0.005 . 1 . . . . . . . . 6201 2 97 . 1 1 22 22 GLN HB3 H 1 1.738 0.005 . 1 . . . . . . . . 6201 2 98 . 1 1 22 22 GLN HG2 H 1 2.135 0.005 . 1 . . . . . . . . 6201 2 99 . 1 1 22 22 GLN HG3 H 1 2.135 0.005 . 1 . . . . . . . . 6201 2 100 . 1 1 22 22 GLN HE21 H 1 7.447 0.005 . 2 . . . . . . . . 6201 2 101 . 1 1 22 22 GLN HE22 H 1 6.767 0.005 . 2 . . . . . . . . 6201 2 102 . 1 1 22 22 GLN N N 15 127.10 0.10 . 1 . . . . . . . . 6201 2 103 . 1 1 22 22 GLN NE2 N 15 113.40 0.10 . 1 . . . . . . . . 6201 2 104 . 1 1 23 23 MET H H 1 8.379 0.005 . 1 . . . . . . . . 6201 2 105 . 1 1 23 23 MET HA H 1 4.064 0.005 . 1 . . . . . . . . 6201 2 106 . 1 1 23 23 MET N N 15 124.60 0.10 . 1 . . . . . . . . 6201 2 107 . 1 1 24 24 THR H H 1 6.845 0.005 . 1 . . . . . . . . 6201 2 108 . 1 1 24 24 THR HA H 1 4.694 0.005 . 1 . . . . . . . . 6201 2 109 . 1 1 24 24 THR HB H 1 4.525 0.005 . 1 . . . . . . . . 6201 2 110 . 1 1 24 24 THR N N 15 117.35 0.10 . 1 . . . . . . . . 6201 2 111 . 1 1 25 25 ASP H H 1 8.711 0.005 . 1 . . . . . . . . 6201 2 112 . 1 1 25 25 ASP HA H 1 4.512 0.005 . 1 . . . . . . . . 6201 2 113 . 1 1 25 25 ASP N N 15 121.70 0.10 . 1 . . . . . . . . 6201 2 114 . 1 1 26 26 ASP H H 1 8.168 0.005 . 1 . . . . . . . . 6201 2 115 . 1 1 26 26 ASP HA H 1 4.718 0.005 . 1 . . . . . . . . 6201 2 116 . 1 1 26 26 ASP HB2 H 1 2.729 0.005 . 2 . . . . . . . . 6201 2 117 . 1 1 26 26 ASP HB3 H 1 2.601 0.005 . 2 . . . . . . . . 6201 2 118 . 1 1 26 26 ASP N N 15 116.75 0.10 . 1 . . . . . . . . 6201 2 119 . 1 1 27 27 ILE H H 1 7.530 0.005 . 1 . . . . . . . . 6201 2 120 . 1 1 27 27 ILE HA H 1 4.160 0.005 . 1 . . . . . . . . 6201 2 121 . 1 1 27 27 ILE HB H 1 2.667 0.005 . 1 . . . . . . . . 6201 2 122 . 1 1 27 27 ILE HG21 H 1 1.010 0.005 . 1 . . . . . . . . 6201 2 123 . 1 1 27 27 ILE HG22 H 1 1.010 0.005 . 1 . . . . . . . . 6201 2 124 . 1 1 27 27 ILE HG23 H 1 1.010 0.005 . 1 . . . . . . . . 6201 2 125 . 1 1 27 27 ILE N N 15 120.60 0.10 . 1 . . . . . . . . 6201 2 126 . 1 1 28 28 ASP H H 1 8.932 0.005 . 1 . . . . . . . . 6201 2 127 . 1 1 28 28 ASP HA H 1 4.998 0.005 . 1 . . . . . . . . 6201 2 128 . 1 1 28 28 ASP HB2 H 1 2.392 0.005 . 2 . . . . . . . . 6201 2 129 . 1 1 28 28 ASP HB3 H 1 2.291 0.005 . 2 . . . . . . . . 6201 2 130 . 1 1 28 28 ASP N N 15 128.75 0.10 . 1 . . . . . . . . 6201 2 131 . 1 1 29 29 GLU H H 1 7.745 0.005 . 1 . . . . . . . . 6201 2 132 . 1 1 29 29 GLU HA H 1 5.684 0.005 . 1 . . . . . . . . 6201 2 133 . 1 1 29 29 GLU HB2 H 1 2.089 0.005 . 2 . . . . . . . . 6201 2 134 . 1 1 29 29 GLU HB3 H 1 1.990 0.005 . 2 . . . . . . . . 6201 2 135 . 1 1 29 29 GLU HG2 H 1 2.087 0.005 . 1 . . . . . . . . 6201 2 136 . 1 1 29 29 GLU HG3 H 1 2.087 0.005 . 1 . . . . . . . . 6201 2 137 . 1 1 29 29 GLU N N 15 116.75 0.10 . 1 . . . . . . . . 6201 2 138 . 1 1 30 30 VAL H H 1 9.063 0.005 . 1 . . . . . . . . 6201 2 139 . 1 1 30 30 VAL HA H 1 4.735 0.005 . 1 . . . . . . . . 6201 2 140 . 1 1 30 30 VAL HB H 1 2.161 0.005 . 1 . . . . . . . . 6201 2 141 . 1 1 30 30 VAL HG21 H 1 0.846 0.005 . 2 . . . . . . . . 6201 2 142 . 1 1 30 30 VAL HG22 H 1 0.846 0.005 . 2 . . . . . . . . 6201 2 143 . 1 1 30 30 VAL HG23 H 1 0.846 0.005 . 2 . . . . . . . . 6201 2 144 . 1 1 30 30 VAL N N 15 125.65 0.10 . 1 . . . . . . . . 6201 2 145 . 1 1 31 31 ARG H H 1 9.275 0.005 . 1 . . . . . . . . 6201 2 146 . 1 1 31 31 ARG HA H 1 5.172 0.005 . 1 . . . . . . . . 6201 2 147 . 1 1 31 31 ARG HB2 H 1 1.950 0.005 . 2 . . . . . . . . 6201 2 148 . 1 1 31 31 ARG HB3 H 1 1.894 0.005 . 2 . . . . . . . . 6201 2 149 . 1 1 31 31 ARG HG2 H 1 1.717 0.005 . 2 . . . . . . . . 6201 2 150 . 1 1 31 31 ARG HG3 H 1 1.536 0.005 . 2 . . . . . . . . 6201 2 151 . 1 1 31 31 ARG HD2 H 1 3.260 0.005 . 2 . . . . . . . . 6201 2 152 . 1 1 31 31 ARG HD3 H 1 3.116 0.005 . 2 . . . . . . . . 6201 2 153 . 1 1 31 31 ARG HE H 1 7.489 0.005 . 1 . . . . . . . . 6201 2 154 . 1 1 31 31 ARG N N 15 127.70 0.10 . 1 . . . . . . . . 6201 2 155 . 1 1 31 31 ARG NE N 15 79.10 0.005 . 1 . . . . . . . . 6201 2 156 . 1 1 32 32 TRP H H 1 9.337 0.005 . 1 . . . . . . . . 6201 2 157 . 1 1 32 32 TRP HA H 1 5.457 0.005 . 1 . . . . . . . . 6201 2 158 . 1 1 32 32 TRP HD1 H 1 6.837 0.005 . 1 . . . . . . . . 6201 2 159 . 1 1 32 32 TRP HE1 H 1 10.560 0.005 . 1 . . . . . . . . 6201 2 160 . 1 1 32 32 TRP HZ2 H 1 7.351 0.005 . 1 . . . . . . . . 6201 2 161 . 1 1 32 32 TRP HZ3 H 1 6.732 0.005 . 1 . . . . . . . . 6201 2 162 . 1 1 32 32 TRP N N 15 125.50 0.10 . 1 . . . . . . . . 6201 2 163 . 1 1 32 32 TRP NE1 N 15 130.50 0.10 . 1 . . . . . . . . 6201 2 164 . 1 1 33 33 GLU H H 1 9.595 0.005 . 1 . . . . . . . . 6201 2 165 . 1 1 33 33 GLU HA H 1 5.229 0.005 . 1 . . . . . . . . 6201 2 166 . 1 1 33 33 GLU HB2 H 1 1.939 0.005 . 1 . . . . . . . . 6201 2 167 . 1 1 33 33 GLU HB3 H 1 1.939 0.005 . 1 . . . . . . . . 6201 2 168 . 1 1 33 33 GLU HG2 H 1 2.056 0.005 . 1 . . . . . . . . 6201 2 169 . 1 1 33 33 GLU HG3 H 1 2.056 0.005 . 1 . . . . . . . . 6201 2 170 . 1 1 33 33 GLU N N 15 124.10 0.10 . 1 . . . . . . . . 6201 2 171 . 1 1 34 34 ARG H H 1 8.793 0.005 . 1 . . . . . . . . 6201 2 172 . 1 1 34 34 ARG HA H 1 4.496 0.005 . 1 . . . . . . . . 6201 2 173 . 1 1 34 34 ARG HB2 H 1 1.541 0.005 . 2 . . . . . . . . 6201 2 174 . 1 1 34 34 ARG HB3 H 1 1.058 0.005 . 2 . . . . . . . . 6201 2 175 . 1 1 34 34 ARG HG2 H 1 1.059 0.005 . 2 . . . . . . . . 6201 2 176 . 1 1 34 34 ARG N N 15 124.00 0.10 . 1 . . . . . . . . 6201 2 177 . 1 1 35 35 GLY H H 1 8.985 0.005 . 1 . . . . . . . . 6201 2 178 . 1 1 35 35 GLY HA2 H 1 4.035 0.005 . 2 . . . . . . . . 6201 2 179 . 1 1 35 35 GLY HA3 H 1 3.641 0.005 . 2 . . . . . . . . 6201 2 180 . 1 1 35 35 GLY N N 15 120.15 0.10 . 1 . . . . . . . . 6201 2 181 . 1 1 36 36 SER HA H 1 4.513 0.005 . 1 . . . . . . . . 6201 2 182 . 1 1 37 37 THR H H 1 8.213 0.005 . 1 . . . . . . . . 6201 2 183 . 1 1 37 37 THR HA H 1 4.359 0.005 . 1 . . . . . . . . 6201 2 184 . 1 1 37 37 THR HB H 1 4.279 0.005 . 1 . . . . . . . . 6201 2 185 . 1 1 37 37 THR HG21 H 1 1.171 0.005 . 1 . . . . . . . . 6201 2 186 . 1 1 37 37 THR HG22 H 1 1.171 0.005 . 1 . . . . . . . . 6201 2 187 . 1 1 37 37 THR HG23 H 1 1.171 0.005 . 1 . . . . . . . . 6201 2 188 . 1 1 37 37 THR N N 15 120.75 0.10 . 1 . . . . . . . . 6201 2 189 . 1 1 38 38 LEU H H 1 8.748 0.005 . 1 . . . . . . . . 6201 2 190 . 1 1 38 38 LEU HA H 1 4.355 0.005 . 1 . . . . . . . . 6201 2 191 . 1 1 38 38 LEU N N 15 131.20 0.10 . 1 . . . . . . . . 6201 2 192 . 1 1 39 39 VAL H H 1 8.999 0.005 . 1 . . . . . . . . 6201 2 193 . 1 1 39 39 VAL HA H 1 4.257 0.005 . 1 . . . . . . . . 6201 2 194 . 1 1 39 39 VAL HB H 1 1.417 0.005 . 1 . . . . . . . . 6201 2 195 . 1 1 39 39 VAL HG11 H 1 0.700 0.005 . 2 . . . . . . . . 6201 2 196 . 1 1 39 39 VAL HG12 H 1 0.700 0.005 . 2 . . . . . . . . 6201 2 197 . 1 1 39 39 VAL HG13 H 1 0.700 0.005 . 2 . . . . . . . . 6201 2 198 . 1 1 39 39 VAL HG21 H 1 0.427 0.005 . 2 . . . . . . . . 6201 2 199 . 1 1 39 39 VAL HG22 H 1 0.427 0.005 . 2 . . . . . . . . 6201 2 200 . 1 1 39 39 VAL HG23 H 1 0.427 0.005 . 2 . . . . . . . . 6201 2 201 . 1 1 39 39 VAL N N 15 125.30 0.10 . 1 . . . . . . . . 6201 2 202 . 1 1 40 40 ALA H H 1 7.920 0.005 . 1 . . . . . . . . 6201 2 203 . 1 1 40 40 ALA HA H 1 5.355 0.005 . 1 . . . . . . . . 6201 2 204 . 1 1 40 40 ALA HB1 H 1 1.381 0.005 . 1 . . . . . . . . 6201 2 205 . 1 1 40 40 ALA HB2 H 1 1.381 0.005 . 1 . . . . . . . . 6201 2 206 . 1 1 40 40 ALA HB3 H 1 1.381 0.005 . 1 . . . . . . . . 6201 2 207 . 1 1 40 40 ALA N N 15 119.75 0.10 . 1 . . . . . . . . 6201 2 208 . 1 1 41 41 GLU H H 1 9.570 0.005 . 1 . . . . . . . . 6201 2 209 . 1 1 41 41 GLU HA H 1 5.587 0.005 . 1 . . . . . . . . 6201 2 210 . 1 1 41 41 GLU HB2 H 1 2.223 0.005 . 1 . . . . . . . . 6201 2 211 . 1 1 41 41 GLU HB3 H 1 2.223 0.005 . 1 . . . . . . . . 6201 2 212 . 1 1 41 41 GLU HG2 H 1 2.328 0.005 . 2 . . . . . . . . 6201 2 213 . 1 1 41 41 GLU HG3 H 1 2.141 0.005 . 2 . . . . . . . . 6201 2 214 . 1 1 41 41 GLU N N 15 122.40 0.10 . 1 . . . . . . . . 6201 2 215 . 1 1 42 42 PHE H H 1 9.462 0.005 . 1 . . . . . . . . 6201 2 216 . 1 1 42 42 PHE HA H 1 4.970 0.005 . 1 . . . . . . . . 6201 2 217 . 1 1 42 42 PHE HB2 H 1 3.198 0.005 . 2 . . . . . . . . 6201 2 218 . 1 1 42 42 PHE HB3 H 1 3.072 0.005 . 2 . . . . . . . . 6201 2 219 . 1 1 42 42 PHE HD1 H 1 7.134 0.005 . 1 . . . . . . . . 6201 2 220 . 1 1 42 42 PHE HD2 H 1 7.134 0.005 . 1 . . . . . . . . 6201 2 221 . 1 1 42 42 PHE HE1 H 1 7.290 0.005 . 1 . . . . . . . . 6201 2 222 . 1 1 42 42 PHE HE2 H 1 7.290 0.005 . 1 . . . . . . . . 6201 2 223 . 1 1 42 42 PHE N N 15 128.95 0.10 . 1 . . . . . . . . 6201 2 224 . 1 1 43 43 LYS H H 1 8.374 0.005 . 1 . . . . . . . . 6201 2 225 . 1 1 43 43 LYS HA H 1 4.902 0.005 . 1 . . . . . . . . 6201 2 226 . 1 1 43 43 LYS HB2 H 1 1.681 0.005 . 2 . . . . . . . . 6201 2 227 . 1 1 43 43 LYS HB3 H 1 1.477 0.005 . 2 . . . . . . . . 6201 2 228 . 1 1 43 43 LYS HG2 H 1 1.313 0.005 . 1 . . . . . . . . 6201 2 229 . 1 1 43 43 LYS HG3 H 1 1.313 0.005 . 1 . . . . . . . . 6201 2 230 . 1 1 43 43 LYS N N 15 130.10 0.10 . 1 . . . . . . . . 6201 2 231 . 1 1 44 44 ARG H H 1 8.232 0.005 . 1 . . . . . . . . 6201 2 232 . 1 1 44 44 ARG HA H 1 3.731 0.005 . 1 . . . . . . . . 6201 2 233 . 1 1 44 44 ARG N N 15 125.90 0.10 . 1 . . . . . . . . 6201 2 234 . 1 1 45 45 LYS H H 1 8.711 0.005 . 1 . . . . . . . . 6201 2 235 . 1 1 45 45 LYS HA H 1 3.932 0.005 . 1 . . . . . . . . 6201 2 236 . 1 1 45 45 LYS N N 15 116.85 0.10 . 1 . . . . . . . . 6201 2 237 . 1 1 46 46 MET H H 1 7.943 0.005 . 1 . . . . . . . . 6201 2 238 . 1 1 46 46 MET HA H 1 4.825 0.005 . 1 . . . . . . . . 6201 2 239 . 1 1 46 46 MET HB2 H 1 2.107 0.005 . 2 . . . . . . . . 6201 2 240 . 1 1 46 46 MET HB3 H 1 1.855 0.005 . 2 . . . . . . . . 6201 2 241 . 1 1 46 46 MET HG2 H 1 2.457 0.005 . 1 . . . . . . . . 6201 2 242 . 1 1 46 46 MET HG3 H 1 2.457 0.005 . 1 . . . . . . . . 6201 2 243 . 1 1 46 46 MET N N 15 119.20 0.10 . 1 . . . . . . . . 6201 2 244 . 1 1 47 47 LYS H H 1 8.418 0.005 . 1 . . . . . . . . 6201 2 245 . 1 1 47 47 LYS HA H 1 4.573 0.005 . 1 . . . . . . . . 6201 2 246 . 1 1 47 47 LYS HB2 H 1 1.855 0.005 . 1 . . . . . . . . 6201 2 247 . 1 1 47 47 LYS HB3 H 1 1.855 0.005 . 1 . . . . . . . . 6201 2 248 . 1 1 47 47 LYS HG2 H 1 1.610 0.005 . 1 . . . . . . . . 6201 2 249 . 1 1 47 47 LYS HG3 H 1 1.610 0.005 . 1 . . . . . . . . 6201 2 250 . 1 1 47 47 LYS N N 15 124.85 0.10 . 1 . . . . . . . . 6201 2 251 . 1 1 49 49 PHE H H 1 8.749 0.005 . 1 . . . . . . . . 6201 2 252 . 1 1 49 49 PHE HA H 1 4.754 0.005 . 1 . . . . . . . . 6201 2 253 . 1 1 49 49 PHE HB2 H 1 3.288 0.005 . 2 . . . . . . . . 6201 2 254 . 1 1 49 49 PHE HB3 H 1 2.952 0.005 . 2 . . . . . . . . 6201 2 255 . 1 1 49 49 PHE HD1 H 1 7.048 0.005 . 1 . . . . . . . . 6201 2 256 . 1 1 49 49 PHE HD2 H 1 7.048 0.005 . 1 . . . . . . . . 6201 2 257 . 1 1 49 49 PHE HE1 H 1 7.181 0.005 . 1 . . . . . . . . 6201 2 258 . 1 1 49 49 PHE HE2 H 1 7.181 0.005 . 1 . . . . . . . . 6201 2 259 . 1 1 49 49 PHE HZ H 1 7.263 0.005 . 1 . . . . . . . . 6201 2 260 . 1 1 49 49 PHE N N 15 123.25 0.10 . 1 . . . . . . . . 6201 2 261 . 1 1 50 50 LEU H H 1 7.642 0.005 . 1 . . . . . . . . 6201 2 262 . 1 1 50 50 LEU HA H 1 4.619 0.005 . 1 . . . . . . . . 6201 2 263 . 1 1 50 50 LEU HB2 H 1 1.541 0.005 . 2 . . . . . . . . 6201 2 264 . 1 1 50 50 LEU HB3 H 1 1.506 0.005 . 2 . . . . . . . . 6201 2 265 . 1 1 50 50 LEU N N 15 128.25 0.10 . 1 . . . . . . . . 6201 2 266 . 1 1 51 51 LYS H H 1 8.468 0.005 . 1 . . . . . . . . 6201 2 267 . 1 1 51 51 LYS HA H 1 3.798 0.005 . 1 . . . . . . . . 6201 2 268 . 1 1 51 51 LYS N N 15 123.25 0.10 . 1 . . . . . . . . 6201 2 269 . 1 1 52 52 SER H H 1 7.684 0.005 . 1 . . . . . . . . 6201 2 270 . 1 1 52 52 SER HA H 1 4.647 0.005 . 1 . . . . . . . . 6201 2 271 . 1 1 52 52 SER HB2 H 1 3.991 0.005 . 1 . . . . . . . . 6201 2 272 . 1 1 52 52 SER HB3 H 1 3.991 0.005 . 1 . . . . . . . . 6201 2 273 . 1 1 52 52 SER N N 15 109.70 0.10 . 1 . . . . . . . . 6201 2 274 . 1 1 53 53 GLY H H 1 8.645 0.005 . 1 . . . . . . . . 6201 2 275 . 1 1 53 53 GLY HA2 H 1 4.274 0.005 . 2 . . . . . . . . 6201 2 276 . 1 1 54 54 ALA H H 1 8.032 0.005 . 1 . . . . . . . . 6201 2 277 . 1 1 54 54 ALA HA H 1 4.063 0.005 . 1 . . . . . . . . 6201 2 278 . 1 1 54 54 ALA HB1 H 1 0.896 0.005 . 1 . . . . . . . . 6201 2 279 . 1 1 54 54 ALA HB2 H 1 0.896 0.005 . 1 . . . . . . . . 6201 2 280 . 1 1 54 54 ALA HB3 H 1 0.896 0.005 . 1 . . . . . . . . 6201 2 281 . 1 1 54 54 ALA N N 15 122.70 0.10 . 1 . . . . . . . . 6201 2 282 . 1 1 55 55 PHE H H 1 7.222 0.005 . 1 . . . . . . . . 6201 2 283 . 1 1 55 55 PHE HA H 1 5.480 0.005 . 1 . . . . . . . . 6201 2 284 . 1 1 55 55 PHE HB2 H 1 2.993 0.005 . 2 . . . . . . . . 6201 2 285 . 1 1 55 55 PHE HB3 H 1 2.779 0.005 . 2 . . . . . . . . 6201 2 286 . 1 1 55 55 PHE HD1 H 1 7.141 0.005 . 1 . . . . . . . . 6201 2 287 . 1 1 55 55 PHE HD2 H 1 7.141 0.005 . 1 . . . . . . . . 6201 2 288 . 1 1 55 55 PHE HE1 H 1 7.282 0.005 . 1 . . . . . . . . 6201 2 289 . 1 1 55 55 PHE HE2 H 1 7.282 0.005 . 1 . . . . . . . . 6201 2 290 . 1 1 55 55 PHE HZ H 1 7.488 0.005 . 1 . . . . . . . . 6201 2 291 . 1 1 55 55 PHE N N 15 115.70 0.10 . 1 . . . . . . . . 6201 2 292 . 1 1 56 56 GLU H H 1 8.839 0.005 . 1 . . . . . . . . 6201 2 293 . 1 1 56 56 GLU HA H 1 4.487 0.005 . 1 . . . . . . . . 6201 2 294 . 1 1 56 56 GLU HB2 H 1 1.864 0.005 . 2 . . . . . . . . 6201 2 295 . 1 1 56 56 GLU HB3 H 1 1.784 0.005 . 2 . . . . . . . . 6201 2 296 . 1 1 56 56 GLU N N 15 119.75 0.10 . 1 . . . . . . . . 6201 2 297 . 1 1 57 57 ILE H H 1 8.542 0.005 . 1 . . . . . . . . 6201 2 298 . 1 1 57 57 ILE HA H 1 5.065 0.005 . 1 . . . . . . . . 6201 2 299 . 1 1 57 57 ILE HB H 1 1.604 0.005 . 1 . . . . . . . . 6201 2 300 . 1 1 57 57 ILE HG21 H 1 1.088 0.005 . 1 . . . . . . . . 6201 2 301 . 1 1 57 57 ILE HG22 H 1 1.088 0.005 . 1 . . . . . . . . 6201 2 302 . 1 1 57 57 ILE HG23 H 1 1.088 0.005 . 1 . . . . . . . . 6201 2 303 . 1 1 57 57 ILE N N 15 124.00 0.10 . 1 . . . . . . . . 6201 2 304 . 1 1 58 58 LEU H H 1 9.011 0.005 . 1 . . . . . . . . 6201 2 305 . 1 1 58 58 LEU HA H 1 4.501 0.005 . 1 . . . . . . . . 6201 2 306 . 1 1 58 58 LEU HB2 H 1 2.026 0.005 . 2 . . . . . . . . 6201 2 307 . 1 1 58 58 LEU N N 15 130.10 0.10 . 1 . . . . . . . . 6201 2 308 . 1 1 59 59 ALA H H 1 8.420 0.005 . 1 . . . . . . . . 6201 2 309 . 1 1 59 59 ALA HA H 1 3.996 0.005 . 1 . . . . . . . . 6201 2 310 . 1 1 59 59 ALA N N 15 123.20 0.10 . 1 . . . . . . . . 6201 2 311 . 1 1 60 60 ASN H H 1 7.728 0.005 . 1 . . . . . . . . 6201 2 312 . 1 1 60 60 ASN HA H 1 4.556 0.005 . 1 . . . . . . . . 6201 2 313 . 1 1 60 60 ASN HB2 H 1 3.242 0.005 . 2 . . . . . . . . 6201 2 314 . 1 1 60 60 ASN HB3 H 1 2.848 0.005 . 2 . . . . . . . . 6201 2 315 . 1 1 60 60 ASN HD21 H 1 7.368 0.005 . 2 . . . . . . . . 6201 2 316 . 1 1 60 60 ASN HD22 H 1 6.632 0.005 . 2 . . . . . . . . 6201 2 317 . 1 1 60 60 ASN N N 15 113.20 0.10 . 1 . . . . . . . . 6201 2 318 . 1 1 60 60 ASN ND2 N 15 110.85 0.10 . 1 . . . . . . . . 6201 2 319 . 1 1 61 61 GLY H H 1 8.143 0.005 . 1 . . . . . . . . 6201 2 320 . 1 1 61 61 GLY HA2 H 1 4.303 0.005 . 2 . . . . . . . . 6201 2 321 . 1 1 61 61 GLY N N 15 108.30 0.10 . 1 . . . . . . . . 6201 2 322 . 1 1 62 62 ASP H H 1 7.822 0.005 . 1 . . . . . . . . 6201 2 323 . 1 1 62 62 ASP HA H 1 4.689 0.005 . 1 . . . . . . . . 6201 2 324 . 1 1 62 62 ASP HB2 H 1 2.615 0.005 . 1 . . . . . . . . 6201 2 325 . 1 1 62 62 ASP HB3 H 1 2.615 0.005 . 1 . . . . . . . . 6201 2 326 . 1 1 62 62 ASP N N 15 119.85 0.10 . 1 . . . . . . . . 6201 2 327 . 1 1 63 63 LEU H H 1 7.558 0.005 . 1 . . . . . . . . 6201 2 328 . 1 1 63 63 LEU HA H 1 4.404 0.005 . 1 . . . . . . . . 6201 2 329 . 1 1 63 63 LEU HB2 H 1 0.335 0.005 . 2 . . . . . . . . 6201 2 330 . 1 1 63 63 LEU HB3 H 1 -1.133 0.005 . 2 . . . . . . . . 6201 2 331 . 1 1 63 63 LEU N N 15 122.15 0.10 . 1 . . . . . . . . 6201 2 332 . 1 1 64 64 LYS H H 1 9.041 0.005 . 1 . . . . . . . . 6201 2 333 . 1 1 64 64 LYS HA H 1 5.059 0.005 . 1 . . . . . . . . 6201 2 334 . 1 1 64 64 LYS N N 15 128.45 0.10 . 1 . . . . . . . . 6201 2 335 . 1 1 65 65 ILE H H 1 8.655 0.005 . 1 . . . . . . . . 6201 2 336 . 1 1 65 65 ILE HA H 1 4.278 0.005 . 1 . . . . . . . . 6201 2 337 . 1 1 65 65 ILE HB H 1 1.656 0.005 . 1 . . . . . . . . 6201 2 338 . 1 1 65 65 ILE HG21 H 1 0.561 0.005 . 1 . . . . . . . . 6201 2 339 . 1 1 65 65 ILE HG22 H 1 0.561 0.005 . 1 . . . . . . . . 6201 2 340 . 1 1 65 65 ILE HG23 H 1 0.561 0.005 . 1 . . . . . . . . 6201 2 341 . 1 1 65 65 ILE N N 15 127.35 0.10 . 1 . . . . . . . . 6201 2 342 . 1 1 66 66 LYS H H 1 7.948 0.005 . 1 . . . . . . . . 6201 2 343 . 1 1 66 66 LYS HA H 1 3.766 0.005 . 1 . . . . . . . . 6201 2 344 . 1 1 66 66 LYS N N 15 125.95 0.10 . 1 . . . . . . . . 6201 2 345 . 1 1 67 67 ASN H H 1 8.448 0.005 . 1 . . . . . . . . 6201 2 346 . 1 1 67 67 ASN HA H 1 3.985 0.005 . 1 . . . . . . . . 6201 2 347 . 1 1 67 67 ASN HB2 H 1 2.562 0.005 . 2 . . . . . . . . 6201 2 348 . 1 1 67 67 ASN HB3 H 1 2.321 0.005 . 2 . . . . . . . . 6201 2 349 . 1 1 67 67 ASN HD21 H 1 7.248 0.005 . 2 . . . . . . . . 6201 2 350 . 1 1 67 67 ASN HD22 H 1 6.561 0.005 . 2 . . . . . . . . 6201 2 351 . 1 1 67 67 ASN N N 15 117.50 0.10 . 1 . . . . . . . . 6201 2 352 . 1 1 67 67 ASN ND2 N 15 111.85 0.10 . 1 . . . . . . . . 6201 2 353 . 1 1 68 68 LEU H H 1 8.124 0.005 . 1 . . . . . . . . 6201 2 354 . 1 1 68 68 LEU HA H 1 4.067 0.005 . 1 . . . . . . . . 6201 2 355 . 1 1 68 68 LEU N N 15 124.30 0.10 . 1 . . . . . . . . 6201 2 356 . 1 1 69 69 THR H H 1 9.282 0.005 . 1 . . . . . . . . 6201 2 357 . 1 1 69 69 THR HA H 1 4.775 0.005 . 1 . . . . . . . . 6201 2 358 . 1 1 69 69 THR N N 15 118.90 0.10 . 1 . . . . . . . . 6201 2 359 . 1 1 70 70 ARG H H 1 8.998 0.005 . 1 . . . . . . . . 6201 2 360 . 1 1 70 70 ARG HA H 1 3.879 0.005 . 1 . . . . . . . . 6201 2 361 . 1 1 70 70 ARG N N 15 121.15 0.10 . 1 . . . . . . . . 6201 2 362 . 1 1 71 71 ASP H H 1 7.846 0.005 . 1 . . . . . . . . 6201 2 363 . 1 1 71 71 ASP HA H 1 4.542 0.005 . 1 . . . . . . . . 6201 2 364 . 1 1 71 71 ASP HB2 H 1 2.751 0.005 . 2 . . . . . . . . 6201 2 365 . 1 1 71 71 ASP HB3 H 1 2.458 0.005 . 2 . . . . . . . . 6201 2 366 . 1 1 71 71 ASP N N 15 117.55 0.10 . 1 . . . . . . . . 6201 2 367 . 1 1 72 72 ASP H H 1 7.624 0.005 . 1 . . . . . . . . 6201 2 368 . 1 1 72 72 ASP HA H 1 4.803 0.005 . 1 . . . . . . . . 6201 2 369 . 1 1 72 72 ASP HB2 H 1 2.880 0.005 . 2 . . . . . . . . 6201 2 370 . 1 1 72 72 ASP HB3 H 1 2.725 0.005 . 2 . . . . . . . . 6201 2 371 . 1 1 72 72 ASP N N 15 116.75 0.10 . 1 . . . . . . . . 6201 2 372 . 1 1 73 73 SER H H 1 7.443 0.005 . 1 . . . . . . . . 6201 2 373 . 1 1 73 73 SER HA H 1 4.223 0.005 . 1 . . . . . . . . 6201 2 374 . 1 1 73 73 SER HB3 H 1 3.926 0.005 . 2 . . . . . . . . 6201 2 375 . 1 1 73 73 SER N N 15 115.50 0.10 . 1 . . . . . . . . 6201 2 376 . 1 1 74 74 GLY H H 1 8.756 0.005 . 1 . . . . . . . . 6201 2 377 . 1 1 74 74 GLY HA2 H 1 4.492 0.005 . 2 . . . . . . . . 6201 2 378 . 1 1 74 74 GLY N N 15 111.55 0.10 . 1 . . . . . . . . 6201 2 379 . 1 1 75 75 THR H H 1 8.371 0.005 . 1 . . . . . . . . 6201 2 380 . 1 1 75 75 THR HA H 1 5.179 0.005 . 1 . . . . . . . . 6201 2 381 . 1 1 75 75 THR HB H 1 3.889 0.005 . 1 . . . . . . . . 6201 2 382 . 1 1 75 75 THR HG21 H 1 1.191 0.005 . 1 . . . . . . . . 6201 2 383 . 1 1 75 75 THR HG22 H 1 1.191 0.005 . 1 . . . . . . . . 6201 2 384 . 1 1 75 75 THR HG23 H 1 1.191 0.005 . 1 . . . . . . . . 6201 2 385 . 1 1 75 75 THR N N 15 118.05 0.10 . 1 . . . . . . . . 6201 2 386 . 1 1 76 76 TYR H H 1 9.944 0.005 . 1 . . . . . . . . 6201 2 387 . 1 1 76 76 TYR HA H 1 5.211 0.005 . 1 . . . . . . . . 6201 2 388 . 1 1 76 76 TYR HB2 H 1 3.175 0.005 . 2 . . . . . . . . 6201 2 389 . 1 1 76 76 TYR HB3 H 1 3.029 0.005 . 2 . . . . . . . . 6201 2 390 . 1 1 76 76 TYR HD1 H 1 7.063 0.005 . 1 . . . . . . . . 6201 2 391 . 1 1 76 76 TYR HD2 H 1 7.063 0.005 . 1 . . . . . . . . 6201 2 392 . 1 1 76 76 TYR HE1 H 1 6.684 0.005 . 1 . . . . . . . . 6201 2 393 . 1 1 76 76 TYR HE2 H 1 6.684 0.005 . 1 . . . . . . . . 6201 2 394 . 1 1 76 76 TYR HH H 1 9.969 0.005 . 1 . . . . . . . . 6201 2 395 . 1 1 76 76 TYR N N 15 130.60 0.10 . 1 . . . . . . . . 6201 2 396 . 1 1 77 77 ASN H H 1 9.632 0.005 . 1 . . . . . . . . 6201 2 397 . 1 1 77 77 ASN HA H 1 5.603 0.005 . 1 . . . . . . . . 6201 2 398 . 1 1 77 77 ASN HB2 H 1 2.601 0.005 . 2 . . . . . . . . 6201 2 399 . 1 1 77 77 ASN HB3 H 1 2.549 0.005 . 2 . . . . . . . . 6201 2 400 . 1 1 77 77 ASN HD21 H 1 7.271 0.005 . 2 . . . . . . . . 6201 2 401 . 1 1 77 77 ASN HD22 H 1 6.864 0.005 . 2 . . . . . . . . 6201 2 402 . 1 1 77 77 ASN N N 15 122.05 0.10 . 1 . . . . . . . . 6201 2 403 . 1 1 77 77 ASN ND2 N 15 113.95 0.10 . 1 . . . . . . . . 6201 2 404 . 1 1 78 78 VAL H H 1 9.133 0.005 . 1 . . . . . . . . 6201 2 405 . 1 1 78 78 VAL HA H 1 5.061 0.005 . 1 . . . . . . . . 6201 2 406 . 1 1 78 78 VAL N N 15 126.65 0.10 . 1 . . . . . . . . 6201 2 407 . 1 1 79 79 THR H H 1 8.404 0.005 . 1 . . . . . . . . 6201 2 408 . 1 1 79 79 THR HA H 1 4.885 0.005 . 1 . . . . . . . . 6201 2 409 . 1 1 79 79 THR HB H 1 3.665 0.005 . 1 . . . . . . . . 6201 2 410 . 1 1 79 79 THR HG21 H 1 1.001 0.005 . 1 . . . . . . . . 6201 2 411 . 1 1 79 79 THR HG22 H 1 1.001 0.005 . 1 . . . . . . . . 6201 2 412 . 1 1 79 79 THR HG23 H 1 1.001 0.005 . 1 . . . . . . . . 6201 2 413 . 1 1 79 79 THR N N 15 122.00 0.10 . 1 . . . . . . . . 6201 2 414 . 1 1 80 80 VAL H H 1 7.783 0.005 . 1 . . . . . . . . 6201 2 415 . 1 1 80 80 VAL HA H 1 4.998 0.005 . 1 . . . . . . . . 6201 2 416 . 1 1 80 80 VAL N N 15 124.25 0.10 . 1 . . . . . . . . 6201 2 417 . 1 1 81 81 TYR H H 1 9.258 0.005 . 1 . . . . . . . . 6201 2 418 . 1 1 81 81 TYR HA H 1 5.594 0.005 . 1 . . . . . . . . 6201 2 419 . 1 1 81 81 TYR HB2 H 1 3.015 0.005 . 2 . . . . . . . . 6201 2 420 . 1 1 81 81 TYR HB3 H 1 2.887 0.005 . 2 . . . . . . . . 6201 2 421 . 1 1 81 81 TYR HD1 H 1 6.845 0.005 . 1 . . . . . . . . 6201 2 422 . 1 1 81 81 TYR HD2 H 1 6.845 0.005 . 1 . . . . . . . . 6201 2 423 . 1 1 81 81 TYR HE1 H 1 6.658 0.005 . 1 . . . . . . . . 6201 2 424 . 1 1 81 81 TYR HE2 H 1 6.658 0.005 . 1 . . . . . . . . 6201 2 425 . 1 1 81 81 TYR N N 15 125.80 0.10 . 1 . . . . . . . . 6201 2 426 . 1 1 82 82 SER H H 1 9.283 0.005 . 1 . . . . . . . . 6201 2 427 . 1 1 82 82 SER HA H 1 5.359 0.005 . 1 . . . . . . . . 6201 2 428 . 1 1 82 82 SER HB2 H 1 4.486 0.005 . 2 . . . . . . . . 6201 2 429 . 1 1 82 82 SER HB3 H 1 3.932 0.005 . 2 . . . . . . . . 6201 2 430 . 1 1 82 82 SER N N 15 119.35 0.10 . 1 . . . . . . . . 6201 2 431 . 1 1 83 83 THR H H 1 8.754 0.005 . 1 . . . . . . . . 6201 2 432 . 1 1 83 83 THR HA H 1 3.977 0.005 . 1 . . . . . . . . 6201 2 433 . 1 1 83 83 THR HB H 1 4.348 0.005 . 1 . . . . . . . . 6201 2 434 . 1 1 83 83 THR N N 15 116.70 0.10 . 1 . . . . . . . . 6201 2 435 . 1 1 84 84 ASN H H 1 8.333 0.005 . 1 . . . . . . . . 6201 2 436 . 1 1 84 84 ASN HA H 1 4.821 0.005 . 1 . . . . . . . . 6201 2 437 . 1 1 84 84 ASN HD21 H 1 7.649 0.005 . 2 . . . . . . . . 6201 2 438 . 1 1 84 84 ASN HD22 H 1 6.932 0.005 . 2 . . . . . . . . 6201 2 439 . 1 1 84 84 ASN N N 15 117.25 0.10 . 1 . . . . . . . . 6201 2 440 . 1 1 84 84 ASN ND2 N 15 112.65 0.10 . 1 . . . . . . . . 6201 2 441 . 1 1 85 85 GLY H H 1 8.255 0.005 . 1 . . . . . . . . 6201 2 442 . 1 1 85 85 GLY HA2 H 1 4.319 0.005 . 2 . . . . . . . . 6201 2 443 . 1 1 85 85 GLY HA3 H 1 3.785 0.005 . 2 . . . . . . . . 6201 2 444 . 1 1 85 85 GLY N N 15 108.85 0.10 . 1 . . . . . . . . 6201 2 445 . 1 1 86 86 THR H H 1 7.735 0.005 . 1 . . . . . . . . 6201 2 446 . 1 1 86 86 THR HA H 1 4.191 0.005 . 1 . . . . . . . . 6201 2 447 . 1 1 86 86 THR HG21 H 1 1.152 0.005 . 1 . . . . . . . . 6201 2 448 . 1 1 86 86 THR HG22 H 1 1.152 0.005 . 1 . . . . . . . . 6201 2 449 . 1 1 86 86 THR HG23 H 1 1.152 0.005 . 1 . . . . . . . . 6201 2 450 . 1 1 86 86 THR N N 15 117.75 0.10 . 1 . . . . . . . . 6201 2 451 . 1 1 87 87 ARG H H 1 8.981 0.005 . 1 . . . . . . . . 6201 2 452 . 1 1 87 87 ARG HA H 1 4.116 0.005 . 1 . . . . . . . . 6201 2 453 . 1 1 87 87 ARG N N 15 128.85 0.10 . 1 . . . . . . . . 6201 2 454 . 1 1 88 88 ILE H H 1 8.680 0.005 . 1 . . . . . . . . 6201 2 455 . 1 1 88 88 ILE HA H 1 4.184 0.005 . 1 . . . . . . . . 6201 2 456 . 1 1 88 88 ILE HB H 1 1.804 0.005 . 1 . . . . . . . . 6201 2 457 . 1 1 88 88 ILE HG21 H 1 0.960 0.005 . 1 . . . . . . . . 6201 2 458 . 1 1 88 88 ILE HG22 H 1 0.960 0.005 . 1 . . . . . . . . 6201 2 459 . 1 1 88 88 ILE HG23 H 1 0.960 0.005 . 1 . . . . . . . . 6201 2 460 . 1 1 88 88 ILE N N 15 128.10 0.10 . 1 . . . . . . . . 6201 2 461 . 1 1 89 89 LEU H H 1 7.206 0.005 . 1 . . . . . . . . 6201 2 462 . 1 1 89 89 LEU HA H 1 4.473 0.005 . 1 . . . . . . . . 6201 2 463 . 1 1 89 89 LEU N N 15 119.20 0.10 . 1 . . . . . . . . 6201 2 464 . 1 1 90 90 ASN H H 1 8.389 0.005 . 1 . . . . . . . . 6201 2 465 . 1 1 90 90 ASN HA H 1 5.402 0.005 . 1 . . . . . . . . 6201 2 466 . 1 1 90 90 ASN HB2 H 1 2.574 0.005 . 2 . . . . . . . . 6201 2 467 . 1 1 90 90 ASN HB3 H 1 2.466 0.005 . 2 . . . . . . . . 6201 2 468 . 1 1 90 90 ASN HD21 H 1 7.219 0.005 . 2 . . . . . . . . 6201 2 469 . 1 1 90 90 ASN HD22 H 1 6.841 0.005 . 2 . . . . . . . . 6201 2 470 . 1 1 90 90 ASN N N 15 122.70 0.10 . 1 . . . . . . . . 6201 2 471 . 1 1 90 90 ASN ND2 N 15 113.00 0.10 . 1 . . . . . . . . 6201 2 472 . 1 1 91 91 LYS H H 1 8.684 0.005 . 1 . . . . . . . . 6201 2 473 . 1 1 91 91 LYS HA H 1 4.727 0.005 . 1 . . . . . . . . 6201 2 474 . 1 1 91 91 LYS N N 15 125.15 0.10 . 1 . . . . . . . . 6201 2 475 . 1 1 92 92 ALA H H 1 8.273 0.005 . 1 . . . . . . . . 6201 2 476 . 1 1 92 92 ALA HA H 1 5.482 0.005 . 1 . . . . . . . . 6201 2 477 . 1 1 92 92 ALA HB1 H 1 1.307 0.005 . 1 . . . . . . . . 6201 2 478 . 1 1 92 92 ALA HB2 H 1 1.307 0.005 . 1 . . . . . . . . 6201 2 479 . 1 1 92 92 ALA HB3 H 1 1.307 0.005 . 1 . . . . . . . . 6201 2 480 . 1 1 92 92 ALA N N 15 125.85 0.10 . 1 . . . . . . . . 6201 2 481 . 1 1 93 93 LEU H H 1 9.449 0.005 . 1 . . . . . . . . 6201 2 482 . 1 1 93 93 LEU HA H 1 4.901 0.005 . 1 . . . . . . . . 6201 2 483 . 1 1 93 93 LEU HB2 H 1 1.784 0.005 . 2 . . . . . . . . 6201 2 484 . 1 1 93 93 LEU HB3 H 1 1.536 0.005 . 2 . . . . . . . . 6201 2 485 . 1 1 93 93 LEU N N 15 124.80 0.10 . 1 . . . . . . . . 6201 2 486 . 1 1 94 94 ASP H H 1 8.707 0.005 . 1 . . . . . . . . 6201 2 487 . 1 1 94 94 ASP HA H 1 5.094 0.005 . 1 . . . . . . . . 6201 2 488 . 1 1 94 94 ASP HB2 H 1 2.700 0.005 . 2 . . . . . . . . 6201 2 489 . 1 1 94 94 ASP HB3 H 1 2.535 0.005 . 2 . . . . . . . . 6201 2 490 . 1 1 94 94 ASP N N 15 124.55 0.10 . 1 . . . . . . . . 6201 2 491 . 1 1 95 95 LEU H H 1 9.003 0.005 . 1 . . . . . . . . 6201 2 492 . 1 1 95 95 LEU HA H 1 4.998 0.005 . 1 . . . . . . . . 6201 2 493 . 1 1 95 95 LEU HB2 H 1 2.353 0.005 . 2 . . . . . . . . 6201 2 494 . 1 1 95 95 LEU N N 15 128.50 0.10 . 1 . . . . . . . . 6201 2 495 . 1 1 96 96 ARG H H 1 8.905 0.005 . 1 . . . . . . . . 6201 2 496 . 1 1 96 96 ARG HA H 1 4.497 0.005 . 1 . . . . . . . . 6201 2 497 . 1 1 96 96 ARG HB3 H 1 0.163 0.005 . 2 . . . . . . . . 6201 2 498 . 1 1 96 96 ARG HG3 H 1 0.937 0.005 . 2 . . . . . . . . 6201 2 499 . 1 1 96 96 ARG N N 15 129.75 0.10 . 1 . . . . . . . . 6201 2 500 . 1 1 97 97 ILE H H 1 8.395 0.005 . 1 . . . . . . . . 6201 2 501 . 1 1 97 97 ILE HA H 1 4.697 0.005 . 1 . . . . . . . . 6201 2 502 . 1 1 97 97 ILE HB H 1 1.962 0.005 . 1 . . . . . . . . 6201 2 503 . 1 1 97 97 ILE HG21 H 1 0.881 0.005 . 1 . . . . . . . . 6201 2 504 . 1 1 97 97 ILE HG22 H 1 0.881 0.005 . 1 . . . . . . . . 6201 2 505 . 1 1 97 97 ILE HG23 H 1 0.881 0.005 . 1 . . . . . . . . 6201 2 506 . 1 1 97 97 ILE N N 15 121.05 0.10 . 1 . . . . . . . . 6201 2 507 . 1 1 98 98 LEU H H 1 8.854 0.005 . 1 . . . . . . . . 6201 2 508 . 1 1 98 98 LEU HA H 1 4.506 0.005 . 1 . . . . . . . . 6201 2 509 . 1 1 98 98 LEU HB2 H 1 1.673 0.005 . 2 . . . . . . . . 6201 2 510 . 1 1 98 98 LEU HB3 H 1 1.594 0.005 . 2 . . . . . . . . 6201 2 511 . 1 1 98 98 LEU HD11 H 1 0.768 0.005 . 1 . . . . . . . . 6201 2 512 . 1 1 98 98 LEU HD12 H 1 0.768 0.005 . 1 . . . . . . . . 6201 2 513 . 1 1 98 98 LEU HD13 H 1 0.768 0.005 . 1 . . . . . . . . 6201 2 514 . 1 1 98 98 LEU HD21 H 1 0.768 0.005 . 1 . . . . . . . . 6201 2 515 . 1 1 98 98 LEU HD22 H 1 0.768 0.005 . 1 . . . . . . . . 6201 2 516 . 1 1 98 98 LEU HD23 H 1 0.768 0.005 . 1 . . . . . . . . 6201 2 517 . 1 1 98 98 LEU N N 15 130.90 0.10 . 1 . . . . . . . . 6201 2 518 . 1 1 99 99 GLU H H 1 8.115 0.005 . 1 . . . . . . . . 6201 2 519 . 1 1 99 99 GLU HA H 1 4.234 0.005 . 1 . . . . . . . . 6201 2 520 . 1 1 99 99 GLU HB2 H 1 2.101 0.005 . 2 . . . . . . . . 6201 2 521 . 1 1 99 99 GLU HB3 H 1 1.947 0.005 . 2 . . . . . . . . 6201 2 522 . 1 1 99 99 GLU HG2 H 1 2.272 0.005 . 1 . . . . . . . . 6201 2 523 . 1 1 99 99 GLU HG3 H 1 2.272 0.005 . 1 . . . . . . . . 6201 2 524 . 1 1 99 99 GLU N N 15 130.10 0.10 . 1 . . . . . . . . 6201 2 stop_ save_