data_6134 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6134 _Entry.Title ; THE NMR STRUCTURE OF A STABLE AND COMPACT ALL-beta-SHEET VARIANT OF INTESTINAL FATTY ACID-BINDING PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-04 _Entry.Accession_date 2004-03-05 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _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 B. Ogbay . . . 6134 2 G. DeKoster . T. . 6134 3 D. Cistola . P. . 6134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 6134 '15N chemical shifts' 103 6134 '1H chemical shifts' 561 6134 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 . . 2004-05-15 2004-03-04 original author . 6134 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1SA8 'BMRB Entry Tracking System' 6134 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6134 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15096629 _Citation.Full_citation . _Citation.Title 'THE NMR STRUCTURE OF A STABLE AND COMPACT ALL-beta-SHEET VARIANT OF INTESTINAL FATTY ACID-BINDING PROTEIN' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 5 _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 1227 _Citation.Page_last 1237 _Citation.Year 2004 _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 B. Ogbay . . . 6134 1 2 G. DeKoster . T. . 6134 1 3 D. Cistola . P. . 6134 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intestinal fatty acid-binding protein' 6134 1 NMR 6134 1 'Protein stability' 6134 1 'protein structure' 6134 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_I-FABP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_I-FABP _Assembly.Entry_ID 6134 _Assembly.ID 1 _Assembly.Name d27gg _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6134 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 D27-GG 1 $D27-GG . . . native . . . . . 6134 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SA8 . . . . . . 6134 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID d27gg system 6134 1 I-FABP abbreviation 6134 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Lipid binding' 6134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_D27-GG _Entity.Sf_category entity _Entity.Sf_framecode D27-GG _Entity.Entry_ID 6134 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Second generation helix-less intestinal fatty acid binding protein' _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 ; AFDGTWKVGGLKLTITQEGN KFTVKESSNFRNIDVVFELG VDFAYSLADGTELTGTWTME GNKLVGKFKRVDNGKELIAV REISGNELIQTYTYEGVEAK RIFKKE ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; 27 contiguous residues (D9-N35, inclusive) of the wild-type I-FABP were deleted and replaced by a G-G linker. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1SA8 . "The Nmr Structure Of A Stable And Compact All-Beta-Sheet Variant Of Intestinal Fatty Acid-Binding Protein" . . . . . 100.00 106 100.00 100.00 1.43e-67 . . . . 6134 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID D27-GG variant 6134 1 I-FABP abbreviation 6134 1 'Second generation helix-less intestinal fatty acid binding protein' common 6134 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 1 ALA . 6134 1 2 2 PHE . 6134 1 3 3 ASP . 6134 1 4 4 GLY . 6134 1 5 5 THR . 6134 1 6 6 TRP . 6134 1 7 7 LYS . 6134 1 8 8 VAL . 6134 1 9 9 GLY . 6134 1 10 10 GLY . 6134 1 11 11 LEU . 6134 1 12 12 LYS . 6134 1 13 13 LEU . 6134 1 14 14 THR . 6134 1 15 15 ILE . 6134 1 16 16 THR . 6134 1 17 17 GLN . 6134 1 18 18 GLU . 6134 1 19 19 GLY . 6134 1 20 20 ASN . 6134 1 21 21 LYS . 6134 1 22 22 PHE . 6134 1 23 23 THR . 6134 1 24 24 VAL . 6134 1 25 25 LYS . 6134 1 26 26 GLU . 6134 1 27 27 SER . 6134 1 28 28 SER . 6134 1 29 29 ASN . 6134 1 30 30 PHE . 6134 1 31 31 ARG . 6134 1 32 32 ASN . 6134 1 33 33 ILE . 6134 1 34 34 ASP . 6134 1 35 35 VAL . 6134 1 36 36 VAL . 6134 1 37 37 PHE . 6134 1 38 38 GLU . 6134 1 39 39 LEU . 6134 1 40 40 GLY . 6134 1 41 41 VAL . 6134 1 42 42 ASP . 6134 1 43 43 PHE . 6134 1 44 44 ALA . 6134 1 45 45 TYR . 6134 1 46 46 SER . 6134 1 47 47 LEU . 6134 1 48 48 ALA . 6134 1 49 49 ASP . 6134 1 50 50 GLY . 6134 1 51 51 THR . 6134 1 52 52 GLU . 6134 1 53 53 LEU . 6134 1 54 54 THR . 6134 1 55 55 GLY . 6134 1 56 56 THR . 6134 1 57 57 TRP . 6134 1 58 58 THR . 6134 1 59 59 MET . 6134 1 60 60 GLU . 6134 1 61 61 GLY . 6134 1 62 62 ASN . 6134 1 63 63 LYS . 6134 1 64 64 LEU . 6134 1 65 65 VAL . 6134 1 66 66 GLY . 6134 1 67 67 LYS . 6134 1 68 68 PHE . 6134 1 69 69 LYS . 6134 1 70 70 ARG . 6134 1 71 71 VAL . 6134 1 72 72 ASP . 6134 1 73 73 ASN . 6134 1 74 74 GLY . 6134 1 75 75 LYS . 6134 1 76 76 GLU . 6134 1 77 77 LEU . 6134 1 78 78 ILE . 6134 1 79 79 ALA . 6134 1 80 80 VAL . 6134 1 81 81 ARG . 6134 1 82 82 GLU . 6134 1 83 83 ILE . 6134 1 84 84 SER . 6134 1 85 85 GLY . 6134 1 86 86 ASN . 6134 1 87 87 GLU . 6134 1 88 88 LEU . 6134 1 89 89 ILE . 6134 1 90 90 GLN . 6134 1 91 91 THR . 6134 1 92 92 TYR . 6134 1 93 93 THR . 6134 1 94 94 TYR . 6134 1 95 95 GLU . 6134 1 96 96 GLY . 6134 1 97 97 VAL . 6134 1 98 98 GLU . 6134 1 99 99 ALA . 6134 1 100 100 LYS . 6134 1 101 101 ARG . 6134 1 102 102 ILE . 6134 1 103 103 PHE . 6134 1 104 104 LYS . 6134 1 105 105 LYS . 6134 1 106 106 GLU . 6134 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 . ALA 1 1 6134 1 . PHE 2 2 6134 1 . ASP 3 3 6134 1 . GLY 4 4 6134 1 . THR 5 5 6134 1 . TRP 6 6 6134 1 . LYS 7 7 6134 1 . VAL 8 8 6134 1 . GLY 9 9 6134 1 . GLY 10 10 6134 1 . LEU 11 11 6134 1 . LYS 12 12 6134 1 . LEU 13 13 6134 1 . THR 14 14 6134 1 . ILE 15 15 6134 1 . THR 16 16 6134 1 . GLN 17 17 6134 1 . GLU 18 18 6134 1 . GLY 19 19 6134 1 . ASN 20 20 6134 1 . LYS 21 21 6134 1 . PHE 22 22 6134 1 . THR 23 23 6134 1 . VAL 24 24 6134 1 . LYS 25 25 6134 1 . GLU 26 26 6134 1 . SER 27 27 6134 1 . SER 28 28 6134 1 . ASN 29 29 6134 1 . PHE 30 30 6134 1 . ARG 31 31 6134 1 . ASN 32 32 6134 1 . ILE 33 33 6134 1 . ASP 34 34 6134 1 . VAL 35 35 6134 1 . VAL 36 36 6134 1 . PHE 37 37 6134 1 . GLU 38 38 6134 1 . LEU 39 39 6134 1 . GLY 40 40 6134 1 . VAL 41 41 6134 1 . ASP 42 42 6134 1 . PHE 43 43 6134 1 . ALA 44 44 6134 1 . TYR 45 45 6134 1 . SER 46 46 6134 1 . LEU 47 47 6134 1 . ALA 48 48 6134 1 . ASP 49 49 6134 1 . GLY 50 50 6134 1 . THR 51 51 6134 1 . GLU 52 52 6134 1 . LEU 53 53 6134 1 . THR 54 54 6134 1 . GLY 55 55 6134 1 . THR 56 56 6134 1 . TRP 57 57 6134 1 . THR 58 58 6134 1 . MET 59 59 6134 1 . GLU 60 60 6134 1 . GLY 61 61 6134 1 . ASN 62 62 6134 1 . LYS 63 63 6134 1 . LEU 64 64 6134 1 . VAL 65 65 6134 1 . GLY 66 66 6134 1 . LYS 67 67 6134 1 . PHE 68 68 6134 1 . LYS 69 69 6134 1 . ARG 70 70 6134 1 . VAL 71 71 6134 1 . ASP 72 72 6134 1 . ASN 73 73 6134 1 . GLY 74 74 6134 1 . LYS 75 75 6134 1 . GLU 76 76 6134 1 . LEU 77 77 6134 1 . ILE 78 78 6134 1 . ALA 79 79 6134 1 . VAL 80 80 6134 1 . ARG 81 81 6134 1 . GLU 82 82 6134 1 . ILE 83 83 6134 1 . SER 84 84 6134 1 . GLY 85 85 6134 1 . ASN 86 86 6134 1 . GLU 87 87 6134 1 . LEU 88 88 6134 1 . ILE 89 89 6134 1 . GLN 90 90 6134 1 . THR 91 91 6134 1 . TYR 92 92 6134 1 . THR 93 93 6134 1 . TYR 94 94 6134 1 . GLU 95 95 6134 1 . GLY 96 96 6134 1 . VAL 97 97 6134 1 . GLU 98 98 6134 1 . ALA 99 99 6134 1 . LYS 100 100 6134 1 . ARG 101 101 6134 1 . ILE 102 102 6134 1 . PHE 103 103 6134 1 . LYS 104 104 6134 1 . LYS 105 105 6134 1 . GLU 106 106 6134 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 6134 _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 $D27-GG . 10116 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6134 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 6134 _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 $D27-GG . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6134 _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 'Second generation helix-less intestinal fatty acid binding protein' . . . 1 $D27-GG . . 1.8 . . mM . . . . 6134 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6134 1 3 KCl . . . . . . . 135 . . mM . . . . 6134 1 4 NaCl . . . . . . . 10 . . mM . . . . 6134 1 5 NaN3 . . . . . . . 0.5 . . % . . . . 6134 1 6 H2O . . . . . . . 95 . . % . . . . 6134 1 7 D2O . . . . . . . 5 . . % . . . . 6134 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6134 _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 'ionic strength' 165 . mM 6134 1 pH 7.2 0.1 pH 6134 1 pressure 1 . atm 6134 1 temperature 298 0.1 K 6134 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6134 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details ; NILGES, M. AND O'DONOGHUE, S. (1998) PROG. NMR SPECTROSCOPY 32, 107-139.2. LINGE, J. AND NILGES, M. (1999) JOURNAL OF BIOMOLECULAR NMR 13, 51-59. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6134 1 'structure solution' 6134 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6134 _Software.ID 2 _Software.Name FELIX _Software.Version 2001 _Software.Details 'Accelrys Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6134 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6134 _Software.ID 3 _Software.Name VNMR _Software.Version 6.1 _Software.Details 'Varian Associates' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6134 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6134 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6134 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 6134 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 6134 _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 '13C-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6134 1 2 '15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6134 1 3 '3D 15N-15N edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6134 1 4 'Aromatic 13C-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6134 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 6134 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6134 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6134 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6134 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6134 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PHE H H 1 7.87 0.01 . 1 . . . . 2 . . . 6134 1 2 . 1 1 2 2 PHE N N 15 116.7 0.1 . 1 . . . . 2 . . . 6134 1 3 . 1 1 2 2 PHE CB C 13 40.3 0.1 . 1 . . . . 2 . . . 6134 1 4 . 1 1 2 2 PHE CA C 13 59.4 0.1 . 1 . . . . 2 . . . 6134 1 5 . 1 1 2 2 PHE C C 13 173.2 0.1 . 1 . . . . 2 . . . 6134 1 6 . 1 1 2 2 PHE HA H 1 4.34 0.01 . 1 . . . . 2 . . . 6134 1 7 . 1 1 2 2 PHE HB3 H 1 3.05 0.01 . 1 . . . . 2 . . . 6134 1 8 . 1 1 2 2 PHE HB2 H 1 3.17 0.01 . 1 . . . . 2 . . . 6134 1 9 . 1 1 3 3 ASP H H 1 7.87 0.01 . 1 . . . . 3 . . . 6134 1 10 . 1 1 3 3 ASP N N 15 116.7 0.1 . 1 . . . . 3 . . . 6134 1 11 . 1 1 3 3 ASP CA C 13 54.7 0.1 . 1 . . . . 3 . . . 6134 1 12 . 1 1 3 3 ASP CB C 13 41.5 0.1 . 1 . . . . 3 . . . 6134 1 13 . 1 1 3 3 ASP C C 13 171.6 0.1 . 1 . . . . 3 . . . 6134 1 14 . 1 1 3 3 ASP HA H 1 4.54 0.01 . 1 . . . . 3 . . . 6134 1 15 . 1 1 3 3 ASP HB3 H 1 2.66 0.01 . 1 . . . . 3 . . . 6134 1 16 . 1 1 4 4 GLY H H 1 8.65 0.01 . 1 . . . . 4 . . . 6134 1 17 . 1 1 4 4 GLY N N 15 109.2 0.1 . 1 . . . . 4 . . . 6134 1 18 . 1 1 4 4 GLY CA C 13 43.5 0.1 . 1 . . . . 4 . . . 6134 1 19 . 1 1 4 4 GLY C C 13 176.0 0.1 . 1 . . . . 4 . . . 6134 1 20 . 1 1 4 4 GLY HA3 H 1 4.27 0.01 . 1 . . . . 4 . . . 6134 1 21 . 1 1 4 4 GLY HA2 H 1 3.79 0.01 . 1 . . . . 4 . . . 6134 1 22 . 1 1 5 5 THR H H 1 8.31 0.01 . 1 . . . . 5 . . . 6134 1 23 . 1 1 5 5 THR N N 15 117.3 0.1 . 1 . . . . 5 . . . 6134 1 24 . 1 1 5 5 THR CA C 13 61.8 0.1 . 1 . . . . 5 . . . 6134 1 25 . 1 1 5 5 THR CB C 13 69.5 0.1 . 1 . . . . 5 . . . 6134 1 26 . 1 1 5 5 THR C C 13 175.8 0.1 . 1 . . . . 5 . . . 6134 1 27 . 1 1 5 5 THR HA H 1 5.26 0.01 . 1 . . . . 5 . . . 6134 1 28 . 1 1 5 5 THR HB H 1 3.93 0.01 . 1 . . . . 5 . . . 6134 1 29 . 1 1 5 5 THR HG21 H 1 1.19 0.01 . 1 . . . . 5 . . . 6134 1 30 . 1 1 5 5 THR HG22 H 1 1.19 0.01 . 1 . . . . 5 . . . 6134 1 31 . 1 1 5 5 THR HG23 H 1 1.19 0.01 . 1 . . . . 5 . . . 6134 1 32 . 1 1 5 5 THR CG2 C 13 21.5 0.1 . 1 . . . . 5 . . . 6134 1 33 . 1 1 6 6 TRP H H 1 9.38 0.01 . 1 . . . . 6 . . . 6134 1 34 . 1 1 6 6 TRP N N 15 129.0 0.1 . 1 . . . . 6 . . . 6134 1 35 . 1 1 6 6 TRP CA C 13 54.3 0.1 . 1 . . . . 6 . . . 6134 1 36 . 1 1 6 6 TRP CB C 13 30.6 0.1 . 1 . . . . 6 . . . 6134 1 37 . 1 1 6 6 TRP C C 13 171.7 0.1 . 1 . . . . 6 . . . 6134 1 38 . 1 1 6 6 TRP HA H 1 5.26 0.01 . 1 . . . . 6 . . . 6134 1 39 . 1 1 6 6 TRP HB3 H 1 2.90 0.01 . 1 . . . . 6 . . . 6134 1 40 . 1 1 6 6 TRP HB2 H 1 3.21 0.01 . 1 . . . . 6 . . . 6134 1 41 . 1 1 7 7 LYS H H 1 9.77 0.01 . 1 . . . . 7 . . . 6134 1 42 . 1 1 7 7 LYS N N 15 123.4 0.1 . 1 . . . . 7 . . . 6134 1 43 . 1 1 7 7 LYS CB C 13 37.8 0.1 . 1 . . . . 7 . . . 6134 1 44 . 1 1 7 7 LYS CA C 13 55.7 0.1 . 1 . . . . 7 . . . 6134 1 45 . 1 1 7 7 LYS C C 13 171.0 0.1 . 1 . . . . 7 . . . 6134 1 46 . 1 1 7 7 LYS HA H 1 5.93 0.01 . 1 . . . . 7 . . . 6134 1 47 . 1 1 7 7 LYS CE C 13 41.7 0.1 . 1 . . . . 7 . . . 6134 1 48 . 1 1 7 7 LYS CD C 13 29.4 0.1 . 1 . . . . 7 . . . 6134 1 49 . 1 1 7 7 LYS CG C 13 24.3 0.1 . 1 . . . . 7 . . . 6134 1 50 . 1 1 7 7 LYS HE3 H 1 3.03 0.01 . 1 . . . . 7 . . . 6134 1 51 . 1 1 7 7 LYS HB3 H 1 2.02 0.01 . 1 . . . . 7 . . . 6134 1 52 . 1 1 7 7 LYS HB2 H 1 1.96 0.01 . 1 . . . . 7 . . . 6134 1 53 . 1 1 7 7 LYS HD3 H 1 1.76 0.01 . 1 . . . . 7 . . . 6134 1 54 . 1 1 7 7 LYS HG3 H 1 1.51 0.01 . 1 . . . . 7 . . . 6134 1 55 . 1 1 8 8 VAL H H 1 8.68 0.01 . 1 . . . . 8 . . . 6134 1 56 . 1 1 8 8 VAL N N 15 123.8 0.1 . 1 . . . . 8 . . . 6134 1 57 . 1 1 8 8 VAL CB C 13 32.7 0.1 . 1 . . . . 8 . . . 6134 1 58 . 1 1 8 8 VAL CA C 13 61.7 0.1 . 1 . . . . 8 . . . 6134 1 59 . 1 1 8 8 VAL HA H 1 4.41 0.01 . 1 . . . . 8 . . . 6134 1 60 . 1 1 8 8 VAL C C 13 173.1 0.1 . 1 . . . . 8 . . . 6134 1 61 . 1 1 8 8 VAL HB H 1 2.47 0.01 . 1 . . . . 8 . . . 6134 1 62 . 1 1 8 8 VAL HG21 H 1 0.96 0.01 . 1 . . . . 8 . . . 6134 1 63 . 1 1 8 8 VAL HG22 H 1 0.96 0.01 . 1 . . . . 8 . . . 6134 1 64 . 1 1 8 8 VAL HG23 H 1 0.96 0.01 . 1 . . . . 8 . . . 6134 1 65 . 1 1 11 11 LEU H H 1 8.47 0.01 . 1 . . . . 11 . . . 6134 1 66 . 1 1 11 11 LEU N N 15 123.7 0.1 . 1 . . . . 11 . . . 6134 1 67 . 1 1 11 11 LEU CA C 13 54.2 0.1 . 1 . . . . 11 . . . 6134 1 68 . 1 1 11 11 LEU CB C 13 43.5 0.1 . 1 . . . . 11 . . . 6134 1 69 . 1 1 11 11 LEU C C 13 172.2 0.1 . 1 . . . . 11 . . . 6134 1 70 . 1 1 11 11 LEU HA H 1 5.14 0.01 . 1 . . . . 11 . . . 6134 1 71 . 1 1 11 11 LEU CD1 C 13 24.3 0.1 . 1 . . . . 11 . . . 6134 1 72 . 1 1 11 11 LEU CG C 13 27.4 0.1 . 1 . . . . 11 . . . 6134 1 73 . 1 1 11 11 LEU HB3 H 1 1.96 0.01 . 1 . . . . 11 . . . 6134 1 74 . 1 1 11 11 LEU HD11 H 1 1.02 0.01 . 1 . . . . 11 . . . 6134 1 75 . 1 1 11 11 LEU HD12 H 1 1.02 0.01 . 1 . . . . 11 . . . 6134 1 76 . 1 1 11 11 LEU HD13 H 1 1.02 0.01 . 1 . . . . 11 . . . 6134 1 77 . 1 1 12 12 LYS H H 1 8.70 0.01 . 1 . . . . 12 . . . 6134 1 78 . 1 1 12 12 LYS N N 15 123.6 0.1 . 1 . . . . 12 . . . 6134 1 79 . 1 1 12 12 LYS CA C 13 54.7 0.1 . 1 . . . . 12 . . . 6134 1 80 . 1 1 12 12 LYS CB C 13 36.8 0.1 . 1 . . . . 12 . . . 6134 1 81 . 1 1 12 12 LYS C C 13 172.6 0.1 . 1 . . . . 12 . . . 6134 1 82 . 1 1 12 12 LYS HA H 1 4.36 0.01 . 1 . . . . 12 . . . 6134 1 83 . 1 1 12 12 LYS CE C 13 41.4 0.1 . 1 . . . . 12 . . . 6134 1 84 . 1 1 12 12 LYS CD C 13 29.8 0.1 . 1 . . . . 12 . . . 6134 1 85 . 1 1 12 12 LYS CG C 13 24.8 0.1 . 1 . . . . 12 . . . 6134 1 86 . 1 1 12 12 LYS HE3 H 1 2.67 0.01 . 1 . . . . 12 . . . 6134 1 87 . 1 1 13 13 LEU H H 1 9.52 0.01 . 1 . . . . 13 . . . 6134 1 88 . 1 1 13 13 LEU N N 15 126.4 0.1 . 1 . . . . 13 . . . 6134 1 89 . 1 1 13 13 LEU CA C 13 53.1 0.1 . 1 . . . . 13 . . . 6134 1 90 . 1 1 13 13 LEU CB C 13 45.9 0.1 . 1 . . . . 13 . . . 6134 1 91 . 1 1 13 13 LEU C C 13 171.6 0.1 . 1 . . . . 13 . . . 6134 1 92 . 1 1 13 13 LEU HA H 1 5.44 0.01 . 1 . . . . 13 . . . 6134 1 93 . 1 1 13 13 LEU CG C 13 26.3 0.1 . 1 . . . . 13 . . . 6134 1 94 . 1 1 13 13 LEU CD2 C 13 20.9 0.1 . 1 . . . . 13 . . . 6134 1 95 . 1 1 13 13 LEU CD1 C 13 24.1 0.1 . 1 . . . . 13 . . . 6134 1 96 . 1 1 13 13 LEU HB3 H 1 1.51 0.01 . 1 . . . . 13 . . . 6134 1 97 . 1 1 13 13 LEU HG H 1 1.20 0.01 . 1 . . . . 13 . . . 6134 1 98 . 1 1 13 13 LEU HD11 H 1 0.61 0.01 . 1 . . . . 13 . . . 6134 1 99 . 1 1 13 13 LEU HD12 H 1 0.61 0.01 . 1 . . . . 13 . . . 6134 1 100 . 1 1 13 13 LEU HD13 H 1 0.61 0.01 . 1 . . . . 13 . . . 6134 1 101 . 1 1 13 13 LEU HD21 H 1 0.15 0.01 . 1 . . . . 13 . . . 6134 1 102 . 1 1 13 13 LEU HD22 H 1 0.15 0.01 . 1 . . . . 13 . . . 6134 1 103 . 1 1 13 13 LEU HD23 H 1 0.15 0.01 . 1 . . . . 13 . . . 6134 1 104 . 1 1 14 14 THR H H 1 9.05 0.01 . 1 . . . . 14 . . . 6134 1 105 . 1 1 14 14 THR N N 15 122.0 0.1 . 1 . . . . 14 . . . 6134 1 106 . 1 1 14 14 THR CA C 13 61.7 0.1 . 1 . . . . 14 . . . 6134 1 107 . 1 1 14 14 THR CB C 13 69.9 0.1 . 1 . . . . 14 . . . 6134 1 108 . 1 1 14 14 THR C C 13 173.4 0.1 . 1 . . . . 14 . . . 6134 1 109 . 1 1 14 14 THR HA H 1 5.50 0.01 . 1 . . . . 14 . . . 6134 1 110 . 1 1 14 14 THR CG2 C 13 21.0 0.1 . 1 . . . . 14 . . . 6134 1 111 . 1 1 14 14 THR HB H 1 4.07 0.01 . 1 . . . . 14 . . . 6134 1 112 . 1 1 14 14 THR HG21 H 1 1.26 0.01 . 1 . . . . 14 . . . 6134 1 113 . 1 1 14 14 THR HG22 H 1 1.26 0.01 . 1 . . . . 14 . . . 6134 1 114 . 1 1 14 14 THR HG23 H 1 1.26 0.01 . 1 . . . . 14 . . . 6134 1 115 . 1 1 15 15 ILE H H 1 9.45 0.01 . 1 . . . . 15 . . . 6134 1 116 . 1 1 15 15 ILE N N 15 128.8 0.1 . 1 . . . . 15 . . . 6134 1 117 . 1 1 15 15 ILE CB C 13 40.0 0.1 . 1 . . . . 15 . . . 6134 1 118 . 1 1 15 15 ILE CA C 13 60.8 0.1 . 1 . . . . 15 . . . 6134 1 119 . 1 1 15 15 ILE C C 13 172.2 0.1 . 1 . . . . 15 . . . 6134 1 120 . 1 1 15 15 ILE HA H 1 4.99 0.01 . 1 . . . . 15 . . . 6134 1 121 . 1 1 15 15 ILE CD1 C 13 11.92 0.1 . 1 . . . . 15 . . . 6134 1 122 . 1 1 15 15 ILE CG2 C 13 16.8 0.1 . 1 . . . . 15 . . . 6134 1 123 . 1 1 15 15 ILE CG1 C 13 27.5 0.1 . 1 . . . . 15 . . . 6134 1 124 . 1 1 15 15 ILE HB H 1 1.90 0.01 . 1 . . . . 15 . . . 6134 1 125 . 1 1 15 15 ILE HG13 H 1 1.58 0.01 . 1 . . . . 15 . . . 6134 1 126 . 1 1 15 15 ILE HD11 H 1 0.88 0.01 . 1 . . . . 15 . . . 6134 1 127 . 1 1 15 15 ILE HD12 H 1 0.88 0.01 . 1 . . . . 15 . . . 6134 1 128 . 1 1 15 15 ILE HD13 H 1 0.88 0.01 . 1 . . . . 15 . . . 6134 1 129 . 1 1 15 15 ILE HG21 H 1 1.31 0.01 . 1 . . . . 15 . . . 6134 1 130 . 1 1 15 15 ILE HG22 H 1 1.31 0.01 . 1 . . . . 15 . . . 6134 1 131 . 1 1 15 15 ILE HG23 H 1 1.31 0.01 . 1 . . . . 15 . . . 6134 1 132 . 1 1 16 16 THR H H 1 8.74 0.01 . 1 . . . . 16 . . . 6134 1 133 . 1 1 16 16 THR N N 15 123.7 0.1 . 1 . . . . 16 . . . 6134 1 134 . 1 1 16 16 THR CA C 13 60.8 0.1 . 1 . . . . 16 . . . 6134 1 135 . 1 1 16 16 THR CB C 13 71.0 0.1 . 1 . . . . 16 . . . 6134 1 136 . 1 1 16 16 THR C C 13 175.5 0.1 . 1 . . . . 16 . . . 6134 1 137 . 1 1 16 16 THR HA H 1 4.71 0.01 . 1 . . . . 16 . . . 6134 1 138 . 1 1 16 16 THR HB H 1 3.98 0.01 . 1 . . . . 16 . . . 6134 1 139 . 1 1 16 16 THR HG21 H 1 0 0.01 . 1 . . . . 16 . . . 6134 1 140 . 1 1 16 16 THR HG22 H 1 0 0.01 . 1 . . . . 16 . . . 6134 1 141 . 1 1 16 16 THR HG23 H 1 0 0.01 . 1 . . . . 16 . . . 6134 1 142 . 1 1 16 16 THR CG2 C 13 21.2 0.1 . 1 . . . . 16 . . . 6134 1 143 . 1 1 17 17 GLN H H 1 9.05 0.01 . 1 . . . . 17 . . . 6134 1 144 . 1 1 17 17 GLN N N 15 129.2 0.1 . 1 . . . . 17 . . . 6134 1 145 . 1 1 17 17 GLN CB C 13 29.5 0.1 . 1 . . . . 17 . . . 6134 1 146 . 1 1 17 17 GLN CA C 13 54.1 0.1 . 1 . . . . 17 . . . 6134 1 147 . 1 1 17 17 GLN C C 13 173.1 0.1 . 1 . . . . 17 . . . 6134 1 148 . 1 1 17 17 GLN HA H 1 4.21 0.01 . 1 . . . . 17 . . . 6134 1 149 . 1 1 17 17 GLN CG C 13 32.2 0.1 . 1 . . . . 17 . . . 6134 1 150 . 1 1 17 17 GLN HB3 H 1 1.03 0.01 . 1 . . . . 17 . . . 6134 1 151 . 1 1 17 17 GLN HG3 H 1 1.82 0.01 . 1 . . . . 17 . . . 6134 1 152 . 1 1 18 18 GLU H H 1 8.85 0.01 . 1 . . . . 18 . . . 6134 1 153 . 1 1 18 18 GLU N N 15 130.2 0.1 . 1 . . . . 18 . . . 6134 1 154 . 1 1 18 18 GLU CB C 13 30.7 0.1 . 1 . . . . 18 . . . 6134 1 155 . 1 1 18 18 GLU CA C 13 54.1 0.1 . 1 . . . . 18 . . . 6134 1 156 . 1 1 18 18 GLU C C 13 173.1 0.1 . 1 . . . . 18 . . . 6134 1 157 . 1 1 18 18 GLU HA H 1 4.21 0.01 . 1 . . . . 18 . . . 6134 1 158 . 1 1 18 18 GLU CG C 13 35.8 0.1 . 1 . . . . 18 . . . 6134 1 159 . 1 1 18 18 GLU HB3 H 1 1.03 0.01 . 1 . . . . 18 . . . 6134 1 160 . 1 1 18 18 GLU HG3 H 1 1.82 0.01 . 1 . . . . 18 . . . 6134 1 161 . 1 1 19 19 GLY H H 1 9.00 0.01 . 1 . . . . 19 . . . 6134 1 162 . 1 1 19 19 GLY N N 15 118.4 0.1 . 1 . . . . 19 . . . 6134 1 163 . 1 1 19 19 GLY CA C 13 47.0 0.1 . 1 . . . . 19 . . . 6134 1 164 . 1 1 19 19 GLY C C 13 174.1 0.1 . 1 . . . . 19 . . . 6134 1 165 . 1 1 19 19 GLY HA3 H 1 3.75 0.01 . 1 . . . . 19 . . . 6134 1 166 . 1 1 19 19 GLY HA2 H 1 4.09 0.01 . 1 . . . . 19 . . . 6134 1 167 . 1 1 20 20 ASN H H 1 8.84 0.01 . 1 . . . . 20 . . . 6134 1 168 . 1 1 20 20 ASN N N 15 126.2 0.1 . 1 . . . . 20 . . . 6134 1 169 . 1 1 20 20 ASN CA C 13 52.6 0.1 . 1 . . . . 20 . . . 6134 1 170 . 1 1 20 20 ASN CB C 13 38.4 0.1 . 1 . . . . 20 . . . 6134 1 171 . 1 1 20 20 ASN C C 13 174.4 0.1 . 1 . . . . 20 . . . 6134 1 172 . 1 1 20 20 ASN HA H 1 5.02 0.01 . 1 . . . . 20 . . . 6134 1 173 . 1 1 20 20 ASN HB3 H 1 3.18 0.01 . 1 . . . . 20 . . . 6134 1 174 . 1 1 20 20 ASN HB2 H 1 2.98 0.01 . 1 . . . . 20 . . . 6134 1 175 . 1 1 21 21 LYS H H 1 7.92 0.01 . 1 . . . . 21 . . . 6134 1 176 . 1 1 21 21 LYS N N 15 121.6 0.1 . 1 . . . . 21 . . . 6134 1 177 . 1 1 21 21 LYS CA C 13 55.1 0.1 . 1 . . . . 21 . . . 6134 1 178 . 1 1 21 21 LYS CB C 13 33.8 0.1 . 1 . . . . 21 . . . 6134 1 179 . 1 1 21 21 LYS C C 13 173.1 0.1 . 1 . . . . 21 . . . 6134 1 180 . 1 1 21 21 LYS HA H 1 4.91 0.01 . 1 . . . . 21 . . . 6134 1 181 . 1 1 21 21 LYS CE C 13 41.5 0.1 . 1 . . . . 21 . . . 6134 1 182 . 1 1 21 21 LYS CD C 13 28.7 0.1 . 1 . . . . 21 . . . 6134 1 183 . 1 1 21 21 LYS CG C 13 24.4 0.1 . 1 . . . . 21 . . . 6134 1 184 . 1 1 21 21 LYS HE3 H 1 2.93 0.01 . 1 . . . . 21 . . . 6134 1 185 . 1 1 21 21 LYS HB3 H 1 1.75 0.01 . 1 . . . . 21 . . . 6134 1 186 . 1 1 22 22 PHE H H 1 9.08 0.01 . 1 . . . . 22 . . . 6134 1 187 . 1 1 22 22 PHE N N 15 127.0 0.1 . 1 . . . . 22 . . . 6134 1 188 . 1 1 22 22 PHE CB C 13 42.5 0.1 . 1 . . . . 22 . . . 6134 1 189 . 1 1 22 22 PHE CA C 13 55.7 0.1 . 1 . . . . 22 . . . 6134 1 190 . 1 1 22 22 PHE C C 13 173.5 0.1 . 1 . . . . 22 . . . 6134 1 191 . 1 1 22 22 PHE HA H 1 4.78 0.01 . 1 . . . . 22 . . . 6134 1 192 . 1 1 22 22 PHE HB3 H 1 1.58 0.01 . 1 . . . . 22 . . . 6134 1 193 . 1 1 22 22 PHE HB2 H 1 1.11 0.01 . 1 . . . . 22 . . . 6134 1 194 . 1 1 23 23 THR H H 1 8.29 0.01 . 1 . . . . 23 . . . 6134 1 195 . 1 1 23 23 THR N N 15 116.2 0.1 . 1 . . . . 23 . . . 6134 1 196 . 1 1 23 23 THR CA C 13 61.4 0.1 . 1 . . . . 23 . . . 6134 1 197 . 1 1 23 23 THR CB C 13 69.4 0.1 . 1 . . . . 23 . . . 6134 1 198 . 1 1 23 23 THR C C 13 173.6 0.1 . 1 . . . . 23 . . . 6134 1 199 . 1 1 23 23 THR HA H 1 4.79 0.01 . 1 . . . . 23 . . . 6134 1 200 . 1 1 23 23 THR CG2 C 13 20.2 0.1 . 1 . . . . 23 . . . 6134 1 201 . 1 1 23 23 THR HB H 1 3.98 0.01 . 1 . . . . 23 . . . 6134 1 202 . 1 1 23 23 THR HG21 H 1 1.10 0.01 . 1 . . . . 23 . . . 6134 1 203 . 1 1 23 23 THR HG22 H 1 1.10 0.01 . 1 . . . . 23 . . . 6134 1 204 . 1 1 23 23 THR HG23 H 1 1.10 0.01 . 1 . . . . 23 . . . 6134 1 205 . 1 1 24 24 VAL H H 1 9.41 0.01 . 1 . . . . 24 . . . 6134 1 206 . 1 1 24 24 VAL N N 15 128.0 0.1 . 1 . . . . 24 . . . 6134 1 207 . 1 1 24 24 VAL CA C 13 60.3 0.1 . 1 . . . . 24 . . . 6134 1 208 . 1 1 24 24 VAL CB C 13 34.3 0.1 . 1 . . . . 24 . . . 6134 1 209 . 1 1 24 24 VAL C C 13 173.1 0.1 . 1 . . . . 24 . . . 6134 1 210 . 1 1 24 24 VAL HA H 1 5.02 0.01 . 1 . . . . 24 . . . 6134 1 211 . 1 1 24 24 VAL CG1 C 13 21.0 0.1 . 1 . . . . 24 . . . 6134 1 212 . 1 1 24 24 VAL CG2 C 13 17.7 0.1 . 1 . . . . 24 . . . 6134 1 213 . 1 1 24 24 VAL HB H 1 2.36 0.01 . 1 . . . . 24 . . . 6134 1 214 . 1 1 24 24 VAL HG21 H 1 0.88 0.01 . 1 . . . . 24 . . . 6134 1 215 . 1 1 24 24 VAL HG22 H 1 0.88 0.01 . 1 . . . . 24 . . . 6134 1 216 . 1 1 24 24 VAL HG23 H 1 0.88 0.01 . 1 . . . . 24 . . . 6134 1 217 . 1 1 24 24 VAL HG11 H 1 1.00 0.01 . 1 . . . . 24 . . . 6134 1 218 . 1 1 24 24 VAL HG12 H 1 1.00 0.01 . 1 . . . . 24 . . . 6134 1 219 . 1 1 24 24 VAL HG13 H 1 1.00 0.01 . 1 . . . . 24 . . . 6134 1 220 . 1 1 25 25 LYS H H 1 9.15 0.01 . 1 . . . . 25 . . . 6134 1 221 . 1 1 25 25 LYS N N 15 129.3 0.1 . 1 . . . . 25 . . . 6134 1 222 . 1 1 25 25 LYS CA C 13 54.7 0.1 . 1 . . . . 25 . . . 6134 1 223 . 1 1 25 25 LYS CB C 13 33.3 0.1 . 1 . . . . 25 . . . 6134 1 224 . 1 1 25 25 LYS C C 13 171.3 0.1 . 1 . . . . 25 . . . 6134 1 225 . 1 1 25 25 LYS HA H 1 5.32 0.01 . 1 . . . . 25 . . . 6134 1 226 . 1 1 25 25 LYS CE C 13 40.7 0.1 . 1 . . . . 25 . . . 6134 1 227 . 1 1 25 25 LYS CG C 13 23.3 0.1 . 1 . . . . 25 . . . 6134 1 228 . 1 1 25 25 LYS CD C 13 28.6 0.1 . 1 . . . . 25 . . . 6134 1 229 . 1 1 25 25 LYS HE3 H 1 3.16 0.01 . 1 . . . . 25 . . . 6134 1 230 . 1 1 25 25 LYS HG3 H 1 1.74 0.01 . 1 . . . . 25 . . . 6134 1 231 . 1 1 25 25 LYS HB3 H 1 2.06 0.01 . 1 . . . . 25 . . . 6134 1 232 . 1 1 25 25 LYS HD3 H 1 1.89 0.01 . 1 . . . . 25 . . . 6134 1 233 . 1 1 25 25 LYS HB2 H 1 2.12 0.01 . 1 . . . . 25 . . . 6134 1 234 . 1 1 26 26 GLU H H 1 9.30 0.01 . 1 . . . . 26 . . . 6134 1 235 . 1 1 26 26 GLU N N 15 128.7 0.1 . 1 . . . . 26 . . . 6134 1 236 . 1 1 26 26 GLU CA C 13 54.7 0.1 . 1 . . . . 26 . . . 6134 1 237 . 1 1 26 26 GLU CB C 13 30.3 0.1 . 1 . . . . 26 . . . 6134 1 238 . 1 1 26 26 GLU C C 13 171.7 0.1 . 1 . . . . 26 . . . 6134 1 239 . 1 1 26 26 GLU HA H 1 4.46 0.01 . 1 . . . . 26 . . . 6134 1 240 . 1 1 26 26 GLU CG C 13 35.8 0.1 . 1 . . . . 26 . . . 6134 1 241 . 1 1 26 26 GLU HB3 H 1 1.91 0.01 . 1 . . . . 26 . . . 6134 1 242 . 1 1 26 26 GLU HG3 H 1 2.05 0.01 . 1 . . . . 26 . . . 6134 1 243 . 1 1 27 27 SER H H 1 9.17 0.01 . 1 . . . . 27 . . . 6134 1 244 . 1 1 27 27 SER N N 15 121.1 0.1 . 1 . . . . 27 . . . 6134 1 245 . 1 1 27 27 SER CA C 13 57.1 0.1 . 1 . . . . 27 . . . 6134 1 246 . 1 1 27 27 SER CB C 13 64.9 0.1 . 1 . . . . 27 . . . 6134 1 247 . 1 1 27 27 SER C C 13 174.1 0.1 . 1 . . . . 27 . . . 6134 1 248 . 1 1 27 27 SER HA H 1 5.55 0.01 . 1 . . . . 27 . . . 6134 1 249 . 1 1 27 27 SER HB3 H 1 3.98 0.01 . 1 . . . . 27 . . . 6134 1 250 . 1 1 27 27 SER HB2 H 1 3.85 0.01 . 1 . . . . 27 . . . 6134 1 251 . 1 1 28 28 SER H H 1 8.66 0.01 . 1 . . . . 28 . . . 6134 1 252 . 1 1 28 28 SER N N 15 120.6 0.1 . 1 . . . . 28 . . . 6134 1 253 . 1 1 28 28 SER CA C 13 56.6 0.1 . 1 . . . . 28 . . . 6134 1 254 . 1 1 28 28 SER CB C 13 64.9 0.1 . 1 . . . . 28 . . . 6134 1 255 . 1 1 28 28 SER C C 13 173.7 0.1 . 1 . . . . 28 . . . 6134 1 256 . 1 1 28 28 SER HA H 1 5.06 0.01 . 1 . . . . 28 . . . 6134 1 257 . 1 1 28 28 SER HB3 H 1 4.14 0.01 . 1 . . . . 28 . . . 6134 1 258 . 1 1 28 28 SER HB2 H 1 4.1 0.01 . 1 . . . . 28 . . . 6134 1 259 . 1 1 29 29 ASN H H 1 8.13 0.01 . 1 . . . . 29 . . . 6134 1 260 . 1 1 29 29 ASN N N 15 115.7 0.1 . 1 . . . . 29 . . . 6134 1 261 . 1 1 29 29 ASN CB C 13 37.3 0.1 . 1 . . . . 29 . . . 6134 1 262 . 1 1 29 29 ASN CA C 13 55.1 0.1 . 1 . . . . 29 . . . 6134 1 263 . 1 1 29 29 ASN C C 13 172.7 0.1 . 1 . . . . 29 . . . 6134 1 264 . 1 1 29 29 ASN HA H 1 4.36 0.01 . 1 . . . . 29 . . . 6134 1 265 . 1 1 29 29 ASN HB3 H 1 2.67 0.01 . 1 . . . . 29 . . . 6134 1 266 . 1 1 30 30 PHE H H 1 8.14 0.01 . 1 . . . . 30 . . . 6134 1 267 . 1 1 30 30 PHE N N 15 115.5 0.1 . 1 . . . . 30 . . . 6134 1 268 . 1 1 30 30 PHE CA C 13 58.1 0.1 . 1 . . . . 30 . . . 6134 1 269 . 1 1 30 30 PHE CB C 13 38.9 0.1 . 1 . . . . 30 . . . 6134 1 270 . 1 1 30 30 PHE C C 13 172.8 0.1 . 1 . . . . 30 . . . 6134 1 271 . 1 1 30 30 PHE HA H 1 4.60 0.01 . 1 . . . . 30 . . . 6134 1 272 . 1 1 30 30 PHE HB3 H 1 3.34 0.01 . 1 . . . . 30 . . . 6134 1 273 . 1 1 30 30 PHE HB2 H 1 3.09 0.01 . 1 . . . . 30 . . . 6134 1 274 . 1 1 30 30 PHE HD1 H 1 7.27 0.01 . 1 . . . . 30 . . . 6134 1 275 . 1 1 30 30 PHE HE1 H 1 7.41 0.01 . 1 . . . . 30 . . . 6134 1 276 . 1 1 30 30 PHE CE1 C 13 130.1 0.1 . 1 . . . . 30 . . . 6134 1 277 . 1 1 30 30 PHE CD1 C 13 132.0 0.1 . 1 . . . . 30 . . . 6134 1 278 . 1 1 30 30 PHE CG C 13 128.3 0.1 . 1 . . . . 30 . . . 6134 1 279 . 1 1 31 31 ARG H H 1 7.61 0.01 . 1 . . . . 31 . . . 6134 1 280 . 1 1 31 31 ARG N N 15 119.4 0.1 . 1 . . . . 31 . . . 6134 1 281 . 1 1 31 31 ARG CA C 13 55.2 0.1 . 1 . . . . 31 . . . 6134 1 282 . 1 1 31 31 ARG CB C 13 32.1 0.1 . 1 . . . . 31 . . . 6134 1 283 . 1 1 31 31 ARG C C 13 173.7 0.1 . 1 . . . . 31 . . . 6134 1 284 . 1 1 31 31 ARG HA H 1 4.62 0.01 . 1 . . . . 31 . . . 6134 1 285 . 1 1 31 31 ARG CG C 13 24.1 0.1 . 1 . . . . 31 . . . 6134 1 286 . 1 1 31 31 ARG CD C 13 43.1 0.1 . 1 . . . . 31 . . . 6134 1 287 . 1 1 31 31 ARG HD3 H 1 3.21 0.01 . 1 . . . . 31 . . . 6134 1 288 . 1 1 31 31 ARG HB3 H 1 1.86 0.01 . 1 . . . . 31 . . . 6134 1 289 . 1 1 31 31 ARG HG3 H 1 1.59 0.01 . 1 . . . . 31 . . . 6134 1 290 . 1 1 32 32 ASN H H 1 8.67 0.01 . 1 . . . . 32 . . . 6134 1 291 . 1 1 32 32 ASN N N 15 123.2 0.1 . 1 . . . . 32 . . . 6134 1 292 . 1 1 32 32 ASN CB C 13 40.8 0.1 . 1 . . . . 32 . . . 6134 1 293 . 1 1 32 32 ASN CA C 13 52.6 0.1 . 1 . . . . 32 . . . 6134 1 294 . 1 1 32 32 ASN C C 13 173.5 0.1 . 1 . . . . 32 . . . 6134 1 295 . 1 1 32 32 ASN HA H 1 5.60 0.01 . 1 . . . . 32 . . . 6134 1 296 . 1 1 32 32 ASN HB3 H 1 2.76 0.01 . 1 . . . . 32 . . . 6134 1 297 . 1 1 33 33 ILE H H 1 8.79 0.01 . 1 . . . . 33 . . . 6134 1 298 . 1 1 33 33 ILE N N 15 122.1 0.1 . 1 . . . . 33 . . . 6134 1 299 . 1 1 33 33 ILE CA C 13 59.8 0.1 . 1 . . . . 33 . . . 6134 1 300 . 1 1 33 33 ILE CB C 13 40.9 0.1 . 1 . . . . 33 . . . 6134 1 301 . 1 1 33 33 ILE C C 13 174.0 0.1 . 1 . . . . 33 . . . 6134 1 302 . 1 1 33 33 ILE HA H 1 4.62 0.01 . 1 . . . . 33 . . . 6134 1 303 . 1 1 33 33 ILE CD1 C 13 12.8 0.1 . 1 . . . . 33 . . . 6134 1 304 . 1 1 33 33 ILE CG1 C 13 17.0 0.1 . 1 . . . . 33 . . . 6134 1 305 . 1 1 33 33 ILE CG2 C 13 26.7 0.1 . 1 . . . . 33 . . . 6134 1 306 . 1 1 33 33 ILE HB H 1 1.97 0.01 . 1 . . . . 33 . . . 6134 1 307 . 1 1 33 33 ILE HG13 H 1 1.03 0.01 . 1 . . . . 33 . . . 6134 1 308 . 1 1 33 33 ILE HD11 H 1 0.93 0.01 . 1 . . . . 33 . . . 6134 1 309 . 1 1 33 33 ILE HD12 H 1 0.93 0.01 . 1 . . . . 33 . . . 6134 1 310 . 1 1 33 33 ILE HD13 H 1 0.93 0.01 . 1 . . . . 33 . . . 6134 1 311 . 1 1 33 33 ILE HG21 H 1 1.59 0.01 . 1 . . . . 33 . . . 6134 1 312 . 1 1 33 33 ILE HG22 H 1 1.59 0.01 . 1 . . . . 33 . . . 6134 1 313 . 1 1 33 33 ILE HG23 H 1 1.59 0.01 . 1 . . . . 33 . . . 6134 1 314 . 1 1 34 34 ASP H H 1 8.61 0.01 . 1 . . . . 34 . . . 6134 1 315 . 1 1 34 34 ASP N N 15 127.3 0.1 . 1 . . . . 34 . . . 6134 1 316 . 1 1 34 34 ASP CA C 13 53.2 0.1 . 1 . . . . 34 . . . 6134 1 317 . 1 1 34 34 ASP CB C 13 41.9 0.1 . 1 . . . . 34 . . . 6134 1 318 . 1 1 34 34 ASP C C 13 172.5 0.1 . 1 . . . . 34 . . . 6134 1 319 . 1 1 34 34 ASP HA H 1 5.41 0.01 . 1 . . . . 34 . . . 6134 1 320 . 1 1 34 34 ASP HB3 H 1 2.54 0.01 . 1 . . . . 34 . . . 6134 1 321 . 1 1 34 34 ASP HB2 H 1 2.61 0.01 . 1 . . . . 34 . . . 6134 1 322 . 1 1 35 35 VAL H H 1 9.13 0.01 . 1 . . . . 35 . . . 6134 1 323 . 1 1 35 35 VAL N N 15 124.7 0.1 . 1 . . . . 35 . . . 6134 1 324 . 1 1 35 35 VAL CA C 13 61.2 0.1 . 1 . . . . 35 . . . 6134 1 325 . 1 1 35 35 VAL CB C 13 34.7 0.1 . 1 . . . . 35 . . . 6134 1 326 . 1 1 35 35 VAL C C 13 174.2 0.1 . 1 . . . . 35 . . . 6134 1 327 . 1 1 35 35 VAL HA H 1 4.59 0.01 . 1 . . . . 35 . . . 6134 1 328 . 1 1 35 35 VAL CG1 C 13 21.0 0.1 . 1 . . . . 35 . . . 6134 1 329 . 1 1 35 35 VAL CG2 C 13 18.1 0.1 . 1 . . . . 35 . . . 6134 1 330 . 1 1 35 35 VAL HB H 1 2.35 0.01 . 1 . . . . 35 . . . 6134 1 331 . 1 1 35 35 VAL HG11 H 1 1.18 0.01 . 1 . . . . 35 . . . 6134 1 332 . 1 1 35 35 VAL HG12 H 1 1.18 0.01 . 1 . . . . 35 . . . 6134 1 333 . 1 1 35 35 VAL HG13 H 1 1.18 0.01 . 1 . . . . 35 . . . 6134 1 334 . 1 1 35 35 VAL HG21 H 1 0.95 0.01 . 1 . . . . 35 . . . 6134 1 335 . 1 1 35 35 VAL HG22 H 1 0.95 0.01 . 1 . . . . 35 . . . 6134 1 336 . 1 1 35 35 VAL HG23 H 1 0.95 0.01 . 1 . . . . 35 . . . 6134 1 337 . 1 1 36 36 VAL H H 1 8.15 0.01 . 1 . . . . 36 . . . 6134 1 338 . 1 1 36 36 VAL N N 15 126.6 0.1 . 1 . . . . 36 . . . 6134 1 339 . 1 1 36 36 VAL CA C 13 59.8 0.1 . 1 . . . . 36 . . . 6134 1 340 . 1 1 36 36 VAL CB C 13 34.2 0.1 . 1 . . . . 36 . . . 6134 1 341 . 1 1 36 36 VAL C C 13 172.7 0.1 . 1 . . . . 36 . . . 6134 1 342 . 1 1 36 36 VAL HA H 1 5.12 0.01 . 1 . . . . 36 . . . 6134 1 343 . 1 1 36 36 VAL CG1 C 13 20.4 0.1 . 1 . . . . 36 . . . 6134 1 344 . 1 1 36 36 VAL CG2 C 13 18.4 0.1 . 1 . . . . 36 . . . 6134 1 345 . 1 1 36 36 VAL HB H 1 1.95 0.01 . 1 . . . . 36 . . . 6134 1 346 . 1 1 36 36 VAL HG21 H 1 0.89 0.01 . 1 . . . . 36 . . . 6134 1 347 . 1 1 36 36 VAL HG22 H 1 0.89 0.01 . 1 . . . . 36 . . . 6134 1 348 . 1 1 36 36 VAL HG23 H 1 0.89 0.01 . 1 . . . . 36 . . . 6134 1 349 . 1 1 36 36 VAL HG11 H 1 0.99 0.01 . 1 . . . . 36 . . . 6134 1 350 . 1 1 36 36 VAL HG12 H 1 0.99 0.01 . 1 . . . . 36 . . . 6134 1 351 . 1 1 36 36 VAL HG13 H 1 0.99 0.01 . 1 . . . . 36 . . . 6134 1 352 . 1 1 37 37 PHE H H 1 8.30 0.01 . 1 . . . . 37 . . . 6134 1 353 . 1 1 37 37 PHE N N 15 121.7 0.1 . 1 . . . . 37 . . . 6134 1 354 . 1 1 37 37 PHE CA C 13 54.8 0.1 . 1 . . . . 37 . . . 6134 1 355 . 1 1 37 37 PHE CB C 13 39.8 0.1 . 1 . . . . 37 . . . 6134 1 356 . 1 1 37 37 PHE C C 13 175.4 0.1 . 1 . . . . 37 . . . 6134 1 357 . 1 1 37 37 PHE HA H 1 4.79 0.01 . 1 . . . . 37 . . . 6134 1 358 . 1 1 37 37 PHE HB3 H 1 2.66 0.01 . 1 . . . . 37 . . . 6134 1 359 . 1 1 37 37 PHE HB2 H 1 1.57 0.01 . 1 . . . . 37 . . . 6134 1 360 . 1 1 37 37 PHE CD1 C 13 132.5 0.1 . 1 . . . . 37 . . . 6134 1 361 . 1 1 37 37 PHE CZ C 13 128.2 0.1 . 1 . . . . 37 . . . 6134 1 362 . 1 1 37 37 PHE CE1 C 13 130.6 0.1 . 1 . . . . 37 . . . 6134 1 363 . 1 1 37 37 PHE HD1 H 1 6.47 0.01 . 1 . . . . 37 . . . 6134 1 364 . 1 1 37 37 PHE HE1 H 1 6.24 0.01 . 1 . . . . 37 . . . 6134 1 365 . 1 1 37 37 PHE HZ H 1 5.35 0.01 . 1 . . . . 37 . . . 6134 1 366 . 1 1 38 38 GLU H H 1 9.40 0.01 . 1 . . . . 38 . . . 6134 1 367 . 1 1 38 38 GLU N N 15 121.0 0.1 . 1 . . . . 38 . . . 6134 1 368 . 1 1 38 38 GLU CA C 13 53.1 0.1 . 1 . . . . 38 . . . 6134 1 369 . 1 1 38 38 GLU CB C 13 32.2 0.1 . 1 . . . . 38 . . . 6134 1 370 . 1 1 38 38 GLU C C 13 170.0 0.1 . 1 . . . . 38 . . . 6134 1 371 . 1 1 38 38 GLU HA H 1 5.34 0.01 . 1 . . . . 38 . . . 6134 1 372 . 1 1 38 38 GLU CG C 13 35.9 0.1 . 1 . . . . 38 . . . 6134 1 373 . 1 1 38 38 GLU HG3 H 1 2.25 0.01 . 1 . . . . 38 . . . 6134 1 374 . 1 1 38 38 GLU HB3 H 1 1.89 0.01 . 1 . . . . 38 . . . 6134 1 375 . 1 1 38 38 GLU HB2 H 1 2.01 0.01 . 1 . . . . 38 . . . 6134 1 376 . 1 1 39 39 LEU H H 1 8.81 0.01 . 1 . . . . 39 . . . 6134 1 377 . 1 1 39 39 LEU N N 15 125.5 0.1 . 1 . . . . 39 . . . 6134 1 378 . 1 1 39 39 LEU CA C 13 55.7 0.1 . 1 . . . . 39 . . . 6134 1 379 . 1 1 39 39 LEU CB C 13 40.9 0.1 . 1 . . . . 39 . . . 6134 1 380 . 1 1 39 39 LEU C C 13 169.2 0.1 . 1 . . . . 39 . . . 6134 1 381 . 1 1 39 39 LEU HA H 1 4.58 0.01 . 1 . . . . 39 . . . 6134 1 382 . 1 1 39 39 LEU CG C 13 25.9 0.1 . 1 . . . . 39 . . . 6134 1 383 . 1 1 39 39 LEU CD1 C 13 22.2 0.1 . 1 . . . . 39 . . . 6134 1 384 . 1 1 39 39 LEU HD11 H 1 0.73 0.01 . 1 . . . . 39 . . . 6134 1 385 . 1 1 39 39 LEU HD12 H 1 0.73 0.01 . 1 . . . . 39 . . . 6134 1 386 . 1 1 39 39 LEU HD13 H 1 0.73 0.01 . 1 . . . . 39 . . . 6134 1 387 . 1 1 40 40 GLY H H 1 9.21 0.01 . 1 . . . . 40 . . . 6134 1 388 . 1 1 40 40 GLY N N 15 109.2 0.1 . 1 . . . . 40 . . . 6134 1 389 . 1 1 40 40 GLY CA C 13 45.6 0.1 . 1 . . . . 40 . . . 6134 1 390 . 1 1 40 40 GLY C C 13 174.2 0.1 . 1 . . . . 40 . . . 6134 1 391 . 1 1 40 40 GLY HA3 H 1 4.33 0.01 . 1 . . . . 40 . . . 6134 1 392 . 1 1 40 40 GLY HA2 H 1 3.61 0.01 . 1 . . . . 40 . . . 6134 1 393 . 1 1 41 41 VAL H H 1 7.86 0.01 . 1 . . . . 41 . . . 6134 1 394 . 1 1 41 41 VAL N N 15 124.8 0.1 . 1 . . . . 41 . . . 6134 1 395 . 1 1 41 41 VAL CB C 13 32.7 0.1 . 1 . . . . 41 . . . 6134 1 396 . 1 1 41 41 VAL CA C 13 61.9 0.1 . 1 . . . . 41 . . . 6134 1 397 . 1 1 41 41 VAL C C 13 171.5 0.1 . 1 . . . . 41 . . . 6134 1 398 . 1 1 41 41 VAL HA H 1 4.38 0.01 . 1 . . . . 41 . . . 6134 1 399 . 1 1 41 41 VAL CG1 C 13 20.5 0.1 . 1 . . . . 41 . . . 6134 1 400 . 1 1 41 41 VAL CG2 C 13 17.6 0.1 . 1 . . . . 41 . . . 6134 1 401 . 1 1 41 41 VAL HB H 1 2.36 0.01 . 1 . . . . 41 . . . 6134 1 402 . 1 1 41 41 VAL HG11 H 1 1.20 0.01 . 1 . . . . 41 . . . 6134 1 403 . 1 1 41 41 VAL HG12 H 1 1.20 0.01 . 1 . . . . 41 . . . 6134 1 404 . 1 1 41 41 VAL HG13 H 1 1.20 0.01 . 1 . . . . 41 . . . 6134 1 405 . 1 1 42 42 ASP H H 1 8.75 0.01 . 1 . . . . 42 . . . 6134 1 406 . 1 1 42 42 ASP N N 15 133.0 0.1 . 1 . . . . 42 . . . 6134 1 407 . 1 1 42 42 ASP CA C 13 55.2 0.1 . 1 . . . . 42 . . . 6134 1 408 . 1 1 42 42 ASP CB C 13 41.5 0.1 . 1 . . . . 42 . . . 6134 1 409 . 1 1 42 42 ASP C C 13 172.3 0.1 . 1 . . . . 42 . . . 6134 1 410 . 1 1 42 42 ASP HA H 1 4.86 0.01 . 1 . . . . 42 . . . 6134 1 411 . 1 1 42 42 ASP HB3 H 1 2.58 0.01 . 1 . . . . 42 . . . 6134 1 412 . 1 1 43 43 PHE H H 1 9.51 0.01 . 1 . . . . 43 . . . 6134 1 413 . 1 1 43 43 PHE N N 15 122.7 0.1 . 1 . . . . 43 . . . 6134 1 414 . 1 1 43 43 PHE CB C 13 41.3 0.1 . 1 . . . . 43 . . . 6134 1 415 . 1 1 43 43 PHE CA C 13 55.7 0.1 . 1 . . . . 43 . . . 6134 1 416 . 1 1 43 43 PHE C C 13 176.4 0.1 . 1 . . . . 43 . . . 6134 1 417 . 1 1 43 43 PHE HA H 1 5.10 0.01 . 1 . . . . 43 . . . 6134 1 418 . 1 1 43 43 PHE HB3 H 1 3.41 0.01 . 1 . . . . 43 . . . 6134 1 419 . 1 1 43 43 PHE HB2 H 1 3.62 0.01 . 1 . . . . 43 . . . 6134 1 420 . 1 1 43 43 PHE HD1 H 1 7.74 0.01 . 1 . . . . 43 . . . 6134 1 421 . 1 1 43 43 PHE HE1 H 1 7.04 0.01 . 1 . . . . 43 . . . 6134 1 422 . 1 1 43 43 PHE HZ H 1 6.66 0.01 . 1 . . . . 43 . . . 6134 1 423 . 1 1 43 43 PHE CD1 C 13 133.9 0.1 . 1 . . . . 43 . . . 6134 1 424 . 1 1 43 43 PHE CE1 C 13 130.6 0.1 . 1 . . . . 43 . . . 6134 1 425 . 1 1 43 43 PHE CZ C 13 128.2 0.1 . 1 . . . . 43 . . . 6134 1 426 . 1 1 44 44 ALA H H 1 8.14 0.01 . 1 . . . . 44 . . . 6134 1 427 . 1 1 44 44 ALA N N 15 122.2 0.1 . 1 . . . . 44 . . . 6134 1 428 . 1 1 44 44 ALA CA C 13 50.1 0.1 . 1 . . . . 44 . . . 6134 1 429 . 1 1 44 44 ALA CB C 13 20.9 0.1 . 1 . . . . 44 . . . 6134 1 430 . 1 1 44 44 ALA C C 13 171.5 0.1 . 1 . . . . 44 . . . 6134 1 431 . 1 1 44 44 ALA HA H 1 5.22 0.01 . 1 . . . . 44 . . . 6134 1 432 . 1 1 44 44 ALA HB1 H 1 1.50 0.01 . 1 . . . . 44 . . . 6134 1 433 . 1 1 44 44 ALA HB2 H 1 1.50 0.01 . 1 . . . . 44 . . . 6134 1 434 . 1 1 44 44 ALA HB3 H 1 1.50 0.01 . 1 . . . . 44 . . . 6134 1 435 . 1 1 45 45 TYR H H 1 8.51 0.01 . 1 . . . . 45 . . . 6134 1 436 . 1 1 45 45 TYR N N 15 123.1 0.1 . 1 . . . . 45 . . . 6134 1 437 . 1 1 45 45 TYR CB C 13 40.9 0.1 . 1 . . . . 45 . . . 6134 1 438 . 1 1 45 45 TYR CA C 13 54.2 0.1 . 1 . . . . 45 . . . 6134 1 439 . 1 1 45 45 TYR C C 13 175.7 0.1 . 1 . . . . 45 . . . 6134 1 440 . 1 1 45 45 TYR HA H 1 4.96 0.01 . 1 . . . . 45 . . . 6134 1 441 . 1 1 45 45 TYR HB3 H 1 2.94 0.01 . 1 . . . . 45 . . . 6134 1 442 . 1 1 45 45 TYR CD1 C 13 133.4 0.1 . 1 . . . . 45 . . . 6134 1 443 . 1 1 45 45 TYR CE1 C 13 117.9 0.1 . 1 . . . . 45 . . . 6134 1 444 . 1 1 45 45 TYR HE1 H 1 6.14 0.01 . 1 . . . . 45 . . . 6134 1 445 . 1 1 45 45 TYR HD1 H 1 6.52 0.01 . 1 . . . . 45 . . . 6134 1 446 . 1 1 45 45 TYR CG C 13 138.5 0.1 . 1 . . . . 45 . . . 6134 1 447 . 1 1 45 45 TYR HB2 H 1 2.62 0.01 . 1 . . . . 45 . . . 6134 1 448 . 1 1 46 46 SER H H 1 7.63 0.01 . 1 . . . . 46 . . . 6134 1 449 . 1 1 46 46 SER N N 15 117.3 0.1 . 1 . . . . 46 . . . 6134 1 450 . 1 1 46 46 SER CB C 13 64.8 0.1 . 1 . . . . 46 . . . 6134 1 451 . 1 1 46 46 SER CA C 13 55.6 0.1 . 1 . . . . 46 . . . 6134 1 452 . 1 1 46 46 SER C C 13 174.2 0.1 . 1 . . . . 46 . . . 6134 1 453 . 1 1 46 46 SER HA H 1 5.21 0.01 . 1 . . . . 46 . . . 6134 1 454 . 1 1 46 46 SER HB3 H 1 3.62 0.01 . 1 . . . . 46 . . . 6134 1 455 . 1 1 46 46 SER HB2 H 1 3.53 0.01 . 1 . . . . 46 . . . 6134 1 456 . 1 1 47 47 LEU H H 1 8.07 0.01 . 1 . . . . 47 . . . 6134 1 457 . 1 1 47 47 LEU N N 15 120.0 0.1 . 1 . . . . 47 . . . 6134 1 458 . 1 1 47 47 LEU CA C 13 53.1 0.1 . 1 . . . . 47 . . . 6134 1 459 . 1 1 47 47 LEU CB C 13 42.3 0.1 . 1 . . . . 47 . . . 6134 1 460 . 1 1 47 47 LEU C C 13 168.2 0.1 . 1 . . . . 47 . . . 6134 1 461 . 1 1 47 47 LEU HA H 1 4.30 0.01 . 1 . . . . 47 . . . 6134 1 462 . 1 1 48 48 ALA H H 1 7.38 0.01 . 1 . . . . 48 . . . 6134 1 463 . 1 1 48 48 ALA N N 15 114.4 0.1 . 1 . . . . 48 . . . 6134 1 464 . 1 1 48 48 ALA CB C 13 17.8 0.1 . 1 . . . . 48 . . . 6134 1 465 . 1 1 48 48 ALA CA C 13 54.7 0.1 . 1 . . . . 48 . . . 6134 1 466 . 1 1 48 48 ALA C C 13 170.2 0.1 . 1 . . . . 48 . . . 6134 1 467 . 1 1 48 48 ALA HA H 1 3.93 0.01 . 1 . . . . 48 . . . 6134 1 468 . 1 1 48 48 ALA HB1 H 1 1.45 0.01 . 1 . . . . 48 . . . 6134 1 469 . 1 1 48 48 ALA HB2 H 1 1.45 0.01 . 1 . . . . 48 . . . 6134 1 470 . 1 1 48 48 ALA HB3 H 1 1.45 0.01 . 1 . . . . 48 . . . 6134 1 471 . 1 1 49 49 ASP H H 1 7.38 0.01 . 1 . . . . 49 . . . 6134 1 472 . 1 1 49 49 ASP N N 15 114.4 0.1 . 1 . . . . 49 . . . 6134 1 473 . 1 1 49 49 ASP CA C 13 52.7 0.1 . 1 . . . . 49 . . . 6134 1 474 . 1 1 49 49 ASP CB C 13 39.4 0.1 . 1 . . . . 49 . . . 6134 1 475 . 1 1 49 49 ASP C C 13 170.9 0.1 . 1 . . . . 49 . . . 6134 1 476 . 1 1 49 49 ASP HA H 1 4.43 0.01 . 1 . . . . 49 . . . 6134 1 477 . 1 1 49 49 ASP HB3 H 1 3.06 0.01 . 1 . . . . 49 . . . 6134 1 478 . 1 1 49 49 ASP HB2 H 1 2.51 0.01 . 1 . . . . 49 . . . 6134 1 479 . 1 1 50 50 GLY H H 1 8.00 0.01 . 1 . . . . 50 . . . 6134 1 480 . 1 1 50 50 GLY N N 15 108.9 0.1 . 1 . . . . 50 . . . 6134 1 481 . 1 1 50 50 GLY CA C 13 44.1 0.1 . 1 . . . . 50 . . . 6134 1 482 . 1 1 50 50 GLY C C 13 173.1 0.1 . 1 . . . . 50 . . . 6134 1 483 . 1 1 50 50 GLY HA3 H 1 4.39 0.01 . 1 . . . . 50 . . . 6134 1 484 . 1 1 50 50 GLY HA2 H 1 3.54 0.01 . 1 . . . . 50 . . . 6134 1 485 . 1 1 51 51 THR H H 1 7.81 0.01 . 1 . . . . 51 . . . 6134 1 486 . 1 1 51 51 THR N N 15 119.4 0.1 . 1 . . . . 51 . . . 6134 1 487 . 1 1 51 51 THR CB C 13 68.0 0.1 . 1 . . . . 51 . . . 6134 1 488 . 1 1 51 51 THR CA C 13 64.3 0.1 . 1 . . . . 51 . . . 6134 1 489 . 1 1 51 51 THR C C 13 174.2 0.1 . 1 . . . . 51 . . . 6134 1 490 . 1 1 51 51 THR HA H 1 3.77 0.01 . 1 . . . . 51 . . . 6134 1 491 . 1 1 51 51 THR CG2 C 13 19.8 0.1 . 1 . . . . 51 . . . 6134 1 492 . 1 1 51 51 THR HB H 1 1.98 0.01 . 1 . . . . 51 . . . 6134 1 493 . 1 1 51 51 THR HG21 H 1 0.95 0.01 . 1 . . . . 51 . . . 6134 1 494 . 1 1 51 51 THR HG22 H 1 0.95 0.01 . 1 . . . . 51 . . . 6134 1 495 . 1 1 51 51 THR HG23 H 1 0.95 0.01 . 1 . . . . 51 . . . 6134 1 496 . 1 1 52 52 GLU H H 1 8.28 0.01 . 1 . . . . 52 . . . 6134 1 497 . 1 1 52 52 GLU N N 15 128.6 0.1 . 1 . . . . 52 . . . 6134 1 498 . 1 1 52 52 GLU CA C 13 56.2 0.1 . 1 . . . . 52 . . . 6134 1 499 . 1 1 52 52 GLU CB C 13 30.3 0.1 . 1 . . . . 52 . . . 6134 1 500 . 1 1 52 52 GLU C C 13 172.0 0.1 . 1 . . . . 52 . . . 6134 1 501 . 1 1 52 52 GLU HA H 1 4.45 0.01 . 1 . . . . 52 . . . 6134 1 502 . 1 1 52 52 GLU CG C 13 35.9 0.1 . 1 . . . . 52 . . . 6134 1 503 . 1 1 52 52 GLU HB3 H 1 2.14 0.01 . 1 . . . . 52 . . . 6134 1 504 . 1 1 52 52 GLU HG3 H 1 2.35 0.01 . 1 . . . . 52 . . . 6134 1 505 . 1 1 53 53 LEU H H 1 8.76 0.01 . 1 . . . . 53 . . . 6134 1 506 . 1 1 53 53 LEU N N 15 125.3 0.1 . 1 . . . . 53 . . . 6134 1 507 . 1 1 53 53 LEU CB C 13 46.1 0.1 . 1 . . . . 53 . . . 6134 1 508 . 1 1 53 53 LEU CA C 13 53.1 0.1 . 1 . . . . 53 . . . 6134 1 509 . 1 1 53 53 LEU C C 13 171.0 0.1 . 1 . . . . 53 . . . 6134 1 510 . 1 1 53 53 LEU HA H 1 5.31 0.01 . 1 . . . . 53 . . . 6134 1 511 . 1 1 53 53 LEU CD1 C 13 24.5 0.1 . 1 . . . . 53 . . . 6134 1 512 . 1 1 53 53 LEU CG C 13 25.7 0.1 . 1 . . . . 53 . . . 6134 1 513 . 1 1 53 53 LEU HB3 H 1 1.20 0.01 . 1 . . . . 53 . . . 6134 1 514 . 1 1 53 53 LEU HD11 H 1 0.57 0.01 . 1 . . . . 53 . . . 6134 1 515 . 1 1 53 53 LEU HD12 H 1 0.57 0.01 . 1 . . . . 53 . . . 6134 1 516 . 1 1 53 53 LEU HD13 H 1 0.57 0.01 . 1 . . . . 53 . . . 6134 1 517 . 1 1 53 53 LEU HG H 1 0.18 0.01 . 1 . . . . 53 . . . 6134 1 518 . 1 1 54 54 THR H H 1 8.54 0.01 . 1 . . . . 54 . . . 6134 1 519 . 1 1 54 54 THR N N 15 111.9 0.1 . 1 . . . . 54 . . . 6134 1 520 . 1 1 54 54 THR CA C 13 59.3 0.1 . 1 . . . . 54 . . . 6134 1 521 . 1 1 54 54 THR CB C 13 70.5 0.1 . 1 . . . . 54 . . . 6134 1 522 . 1 1 54 54 THR C C 13 173.8 0.1 . 1 . . . . 54 . . . 6134 1 523 . 1 1 54 54 THR HA H 1 5.43 0.01 . 1 . . . . 54 . . . 6134 1 524 . 1 1 54 54 THR CG2 C 13 20.1 0.1 . 1 . . . . 54 . . . 6134 1 525 . 1 1 54 54 THR HB H 1 4.13 0.01 . 1 . . . . 54 . . . 6134 1 526 . 1 1 54 54 THR HG21 H 1 1.17 0.01 . 1 . . . . 54 . . . 6134 1 527 . 1 1 54 54 THR HG22 H 1 1.17 0.01 . 1 . . . . 54 . . . 6134 1 528 . 1 1 54 54 THR HG23 H 1 1.17 0.01 . 1 . . . . 54 . . . 6134 1 529 . 1 1 55 55 GLY H H 1 8.66 0.01 . 1 . . . . 55 . . . 6134 1 530 . 1 1 55 55 GLY N N 15 113.4 0.1 . 1 . . . . 55 . . . 6134 1 531 . 1 1 55 55 GLY CA C 13 46.0 0.1 . 1 . . . . 55 . . . 6134 1 532 . 1 1 55 55 GLY C C 13 177.4 0.1 . 1 . . . . 55 . . . 6134 1 533 . 1 1 55 55 GLY HA3 H 1 3.95 0.01 . 1 . . . . 55 . . . 6134 1 534 . 1 1 55 55 GLY HA2 H 1 4.56 0.01 . 1 . . . . 55 . . . 6134 1 535 . 1 1 56 56 THR H H 1 6.75 0.01 . 1 . . . . 56 . . . 6134 1 536 . 1 1 56 56 THR N N 15 108.0 0.1 . 1 . . . . 56 . . . 6134 1 537 . 1 1 56 56 THR CA C 13 59.2 0.1 . 1 . . . . 56 . . . 6134 1 538 . 1 1 56 56 THR CB C 13 72.5 0.1 . 1 . . . . 56 . . . 6134 1 539 . 1 1 56 56 THR C C 13 174.7 0.1 . 1 . . . . 56 . . . 6134 1 540 . 1 1 56 56 THR HA H 1 4.76 0.01 . 1 . . . . 56 . . . 6134 1 541 . 1 1 56 56 THR CG2 C 13 20.7 0.1 . 1 . . . . 56 . . . 6134 1 542 . 1 1 56 56 THR HB H 1 3.82 0.01 . 1 . . . . 56 . . . 6134 1 543 . 1 1 56 56 THR HG21 H 1 1.02 0.01 . 1 . . . . 56 . . . 6134 1 544 . 1 1 56 56 THR HG22 H 1 1.02 0.01 . 1 . . . . 56 . . . 6134 1 545 . 1 1 56 56 THR HG23 H 1 1.02 0.01 . 1 . . . . 56 . . . 6134 1 546 . 1 1 57 57 TRP H H 1 9.13 0.01 . 1 . . . . 57 . . . 6134 1 547 . 1 1 57 57 TRP N N 15 122.6 0.1 . 1 . . . . 57 . . . 6134 1 548 . 1 1 57 57 TRP CA C 13 55.6 0.1 . 1 . . . . 57 . . . 6134 1 549 . 1 1 57 57 TRP CB C 13 32.3 0.1 . 1 . . . . 57 . . . 6134 1 550 . 1 1 57 57 TRP C C 13 171.8 0.1 . 1 . . . . 57 . . . 6134 1 551 . 1 1 57 57 TRP HA H 1 5.33 0.01 . 1 . . . . 57 . . . 6134 1 552 . 1 1 57 57 TRP HB3 H 1 2.51 0.01 . 1 . . . . 57 . . . 6134 1 553 . 1 1 57 57 TRP HB2 H 1 2.44 0.01 . 1 . . . . 57 . . . 6134 1 554 . 1 1 58 58 THR H H 1 9.24 0.01 . 1 . . . . 58 . . . 6134 1 555 . 1 1 58 58 THR N N 15 114.1 0.1 . 1 . . . . 58 . . . 6134 1 556 . 1 1 58 58 THR CA C 13 59.9 0.1 . 1 . . . . 58 . . . 6134 1 557 . 1 1 58 58 THR CB C 13 71.5 0.1 . 1 . . . . 58 . . . 6134 1 558 . 1 1 58 58 THR C C 13 175.5 0.1 . 1 . . . . 58 . . . 6134 1 559 . 1 1 58 58 THR HA H 1 4.66 0.01 . 1 . . . . 58 . . . 6134 1 560 . 1 1 58 58 THR CG2 C 13 22.0 0.1 . 1 . . . . 58 . . . 6134 1 561 . 1 1 58 58 THR HB H 1 4.27 0.01 . 1 . . . . 58 . . . 6134 1 562 . 1 1 58 58 THR HG21 H 1 1.23 0.01 . 1 . . . . 58 . . . 6134 1 563 . 1 1 58 58 THR HG22 H 1 1.23 0.01 . 1 . . . . 58 . . . 6134 1 564 . 1 1 58 58 THR HG23 H 1 1.23 0.01 . 1 . . . . 58 . . . 6134 1 565 . 1 1 59 59 MET H H 1 8.85 0.01 . 1 . . . . 59 . . . 6134 1 566 . 1 1 59 59 MET N N 15 122.2 0.1 . 1 . . . . 59 . . . 6134 1 567 . 1 1 59 59 MET CA C 13 54.0 0.1 . 1 . . . . 59 . . . 6134 1 568 . 1 1 59 59 MET CB C 13 34.7 0.1 . 1 . . . . 59 . . . 6134 1 569 . 1 1 59 59 MET C C 13 172.1 0.1 . 1 . . . . 59 . . . 6134 1 570 . 1 1 59 59 MET HA H 1 5.48 0.01 . 1 . . . . 59 . . . 6134 1 571 . 1 1 59 59 MET CG C 13 31.5 0.1 . 1 . . . . 59 . . . 6134 1 572 . 1 1 59 59 MET CE C 13 21.0 0.1 . 1 . . . . 59 . . . 6134 1 573 . 1 1 59 59 MET HE1 H 1 1.83 0.01 . 1 . . . . 59 . . . 6134 1 574 . 1 1 59 59 MET HE2 H 1 1.83 0.01 . 1 . . . . 59 . . . 6134 1 575 . 1 1 59 59 MET HE3 H 1 1.83 0.01 . 1 . . . . 59 . . . 6134 1 576 . 1 1 59 59 MET HB2 H 1 2.29 0.01 . 1 . . . . 59 . . . 6134 1 577 . 1 1 59 59 MET HG2 H 1 2.61 0.01 . 1 . . . . 59 . . . 6134 1 578 . 1 1 59 59 MET HB3 H 1 2.12 0.01 . 1 . . . . 59 . . . 6134 1 579 . 1 1 59 59 MET HG3 H 1 2.54 0.01 . 1 . . . . 59 . . . 6134 1 580 . 1 1 60 60 GLU H H 1 9.08 0.01 . 1 . . . . 60 . . . 6134 1 581 . 1 1 60 60 GLU N N 15 129 0.1 . 1 . . . . 60 . . . 6134 1 582 . 1 1 60 60 GLU CB C 13 30.7 0.1 . 1 . . . . 60 . . . 6134 1 583 . 1 1 60 60 GLU CA C 13 54.1 0.1 . 1 . . . . 60 . . . 6134 1 584 . 1 1 60 60 GLU C C 13 171.2 0.1 . 1 . . . . 60 . . . 6134 1 585 . 1 1 60 60 GLU HA H 1 4.67 0.01 . 1 . . . . 60 . . . 6134 1 586 . 1 1 60 60 GLU CG C 13 35.8 0.1 . 1 . . . . 60 . . . 6134 1 587 . 1 1 60 60 GLU HB3 H 1 1.91 0.01 . 1 . . . . 60 . . . 6134 1 588 . 1 1 60 60 GLU HB2 H 1 2.04 0.01 . 1 . . . . 60 . . . 6134 1 589 . 1 1 60 60 GLU HG3 H 1 2.21 0.01 . 1 . . . . 60 . . . 6134 1 590 . 1 1 61 61 GLY H H 1 9.03 0.01 . 1 . . . . 61 . . . 6134 1 591 . 1 1 61 61 GLY N N 15 117.8 0.1 . 1 . . . . 61 . . . 6134 1 592 . 1 1 61 61 GLY CA C 13 47.5 0.1 . 1 . . . . 61 . . . 6134 1 593 . 1 1 61 61 GLY C C 13 173.3 0.1 . 1 . . . . 61 . . . 6134 1 594 . 1 1 61 61 GLY HA2 H 1 3.75 0.01 . 1 . . . . 61 . . . 6134 1 595 . 1 1 61 61 GLY HA3 H 1 4.09 0.01 . 1 . . . . 61 . . . 6134 1 596 . 1 1 62 62 ASN H H 1 8.80 0.01 . 1 . . . . 62 . . . 6134 1 597 . 1 1 62 62 ASN N N 15 124.9 0.1 . 1 . . . . 62 . . . 6134 1 598 . 1 1 62 62 ASN CB C 13 37.9 0.1 . 1 . . . . 62 . . . 6134 1 599 . 1 1 62 62 ASN CA C 13 53.1 0.1 . 1 . . . . 62 . . . 6134 1 600 . 1 1 62 62 ASN C C 13 174.0 0.1 . 1 . . . . 62 . . . 6134 1 601 . 1 1 62 62 ASN HA H 1 4.90 0.01 . 1 . . . . 62 . . . 6134 1 602 . 1 1 62 62 ASN HB3 H 1 3.18 0.01 . 1 . . . . 62 . . . 6134 1 603 . 1 1 62 62 ASN HB2 H 1 2.98 0.01 . 1 . . . . 62 . . . 6134 1 604 . 1 1 63 63 LYS H H 1 8.00 0.01 . 1 . . . . 63 . . . 6134 1 605 . 1 1 63 63 LYS N N 15 119.3 0.1 . 1 . . . . 63 . . . 6134 1 606 . 1 1 63 63 LYS CB C 13 34.9 0.1 . 1 . . . . 63 . . . 6134 1 607 . 1 1 63 63 LYS CA C 13 55.2 0.1 . 1 . . . . 63 . . . 6134 1 608 . 1 1 63 63 LYS C C 13 173.3 0.1 . 1 . . . . 63 . . . 6134 1 609 . 1 1 63 63 LYS HA H 1 5.17 0.01 . 1 . . . . 63 . . . 6134 1 610 . 1 1 63 63 LYS CE C 13 41.4 0.1 . 1 . . . . 63 . . . 6134 1 611 . 1 1 63 63 LYS CG C 13 24.3 0.1 . 1 . . . . 63 . . . 6134 1 612 . 1 1 63 63 LYS CD C 13 29.2 0.1 . 1 . . . . 63 . . . 6134 1 613 . 1 1 63 63 LYS HE3 H 1 2.96 0.01 . 1 . . . . 63 . . . 6134 1 614 . 1 1 63 63 LYS HB3 H 1 1.72 0.01 . 1 . . . . 63 . . . 6134 1 615 . 1 1 63 63 LYS HG3 H 1 1.41 0.01 . 1 . . . . 63 . . . 6134 1 616 . 1 1 64 64 LEU H H 1 8.80 0.01 . 1 . . . . 64 . . . 6134 1 617 . 1 1 64 64 LEU N N 15 125.4 0.1 . 1 . . . . 64 . . . 6134 1 618 . 1 1 64 64 LEU CB C 13 43.9 0.1 . 1 . . . . 64 . . . 6134 1 619 . 1 1 64 64 LEU CA C 13 53.1 0.1 . 1 . . . . 64 . . . 6134 1 620 . 1 1 64 64 LEU C C 13 172.0 0.1 . 1 . . . . 64 . . . 6134 1 621 . 1 1 64 64 LEU HA H 1 5.03 0.01 . 1 . . . . 64 . . . 6134 1 622 . 1 1 64 64 LEU CG C 13 25.9 0.1 . 1 . . . . 64 . . . 6134 1 623 . 1 1 64 64 LEU CD1 C 13 23.0 0.1 . 1 . . . . 64 . . . 6134 1 624 . 1 1 64 64 LEU HB3 H 1 1.18 0.01 . 1 . . . . 64 . . . 6134 1 625 . 1 1 64 64 LEU HG H 1 0.89 0.01 . 1 . . . . 64 . . . 6134 1 626 . 1 1 64 64 LEU HD21 H 1 -0.01 0.01 . 1 . . . . 64 . . . 6134 1 627 . 1 1 64 64 LEU HD22 H 1 -0.01 0.01 . 1 . . . . 64 . . . 6134 1 628 . 1 1 64 64 LEU HD23 H 1 -0.01 0.01 . 1 . . . . 64 . . . 6134 1 629 . 1 1 64 64 LEU HD11 H 1 -0.51 0.01 . 1 . . . . 64 . . . 6134 1 630 . 1 1 64 64 LEU HD12 H 1 -0.51 0.01 . 1 . . . . 64 . . . 6134 1 631 . 1 1 64 64 LEU HD13 H 1 -0.51 0.01 . 1 . . . . 64 . . . 6134 1 632 . 1 1 65 65 VAL H H 1 9.36 0.01 . 1 . . . . 65 . . . 6134 1 633 . 1 1 65 65 VAL N N 15 125.0 0.1 . 1 . . . . 65 . . . 6134 1 634 . 1 1 65 65 VAL CA C 13 61.4 0.1 . 1 . . . . 65 . . . 6134 1 635 . 1 1 65 65 VAL CB C 13 33.3 0.1 . 1 . . . . 65 . . . 6134 1 636 . 1 1 65 65 VAL C C 13 173.0 0.1 . 1 . . . . 65 . . . 6134 1 637 . 1 1 65 65 VAL HA H 1 4.85 0.01 . 1 . . . . 65 . . . 6134 1 638 . 1 1 65 65 VAL CG1 C 13 20.5 0.1 . 1 . . . . 65 . . . 6134 1 639 . 1 1 65 65 VAL CG2 C 13 18.9 0.1 . 1 . . . . 65 . . . 6134 1 640 . 1 1 65 65 VAL HB H 1 1.98 0.01 . 1 . . . . 65 . . . 6134 1 641 . 1 1 65 65 VAL HG11 H 1 0.96 0.01 . 1 . . . . 65 . . . 6134 1 642 . 1 1 65 65 VAL HG12 H 1 0.96 0.01 . 1 . . . . 65 . . . 6134 1 643 . 1 1 65 65 VAL HG13 H 1 0.96 0.01 . 1 . . . . 65 . . . 6134 1 644 . 1 1 65 65 VAL HG21 H 1 0.86 0.01 . 1 . . . . 65 . . . 6134 1 645 . 1 1 65 65 VAL HG22 H 1 0.86 0.01 . 1 . . . . 65 . . . 6134 1 646 . 1 1 65 65 VAL HG23 H 1 0.86 0.01 . 1 . . . . 65 . . . 6134 1 647 . 1 1 66 66 GLY H H 1 10.12 0.01 . 1 . . . . 66 . . . 6134 1 648 . 1 1 66 66 GLY N N 15 122.9 0.1 . 1 . . . . 66 . . . 6134 1 649 . 1 1 66 66 GLY CA C 13 44.0 0.1 . 1 . . . . 66 . . . 6134 1 650 . 1 1 66 66 GLY C C 13 176.4 0.1 . 1 . . . . 66 . . . 6134 1 651 . 1 1 66 66 GLY HA3 H 1 4.42 0.01 . 1 . . . . 66 . . . 6134 1 652 . 1 1 66 66 GLY HA2 H 1 1.79 0.01 . 1 . . . . 66 . . . 6134 1 653 . 1 1 67 67 LYS H H 1 7.48 0.01 . 1 . . . . 67 . . . 6134 1 654 . 1 1 67 67 LYS N N 15 126.1 0.1 . 1 . . . . 67 . . . 6134 1 655 . 1 1 67 67 LYS CA C 13 54.7 0.1 . 1 . . . . 67 . . . 6134 1 656 . 1 1 67 67 LYS CB C 13 32.7 0.1 . 1 . . . . 67 . . . 6134 1 657 . 1 1 67 67 LYS C C 13 173.1 0.1 . 1 . . . . 67 . . . 6134 1 658 . 1 1 67 67 LYS HA H 1 4.54 0.01 . 1 . . . . 67 . . . 6134 1 659 . 1 1 67 67 LYS CE C 13 41.5 0.1 . 1 . . . . 67 . . . 6134 1 660 . 1 1 67 67 LYS CD C 13 28.7 0.1 . 1 . . . . 67 . . . 6134 1 661 . 1 1 67 67 LYS CG C 13 24.1 0.1 . 1 . . . . 67 . . . 6134 1 662 . 1 1 67 67 LYS HE3 H 1 2.84 0.01 . 1 . . . . 67 . . . 6134 1 663 . 1 1 67 67 LYS HD3 H 1 1.13 0.01 . 1 . . . . 67 . . . 6134 1 664 . 1 1 67 67 LYS HG3 H 1 1.25 0.01 . 1 . . . . 67 . . . 6134 1 665 . 1 1 67 67 LYS HB2 H 1 1.46 0.01 . 1 . . . . 67 . . . 6134 1 666 . 1 1 67 67 LYS HB3 H 1 1.59 0.01 . 1 . . . . 67 . . . 6134 1 667 . 1 1 68 68 PHE H H 1 8.44 0.01 . 1 . . . . 68 . . . 6134 1 668 . 1 1 68 68 PHE N N 15 123.2 0.1 . 1 . . . . 68 . . . 6134 1 669 . 1 1 68 68 PHE CB C 13 43.5 0.1 . 1 . . . . 68 . . . 6134 1 670 . 1 1 68 68 PHE CA C 13 55.1 0.1 . 1 . . . . 68 . . . 6134 1 671 . 1 1 68 68 PHE C C 13 172.8 0.1 . 1 . . . . 68 . . . 6134 1 672 . 1 1 68 68 PHE HA H 1 5.43 0.01 . 1 . . . . 68 . . . 6134 1 673 . 1 1 68 68 PHE HB3 H 1 2.85 0.01 . 1 . . . . 68 . . . 6134 1 674 . 1 1 68 68 PHE HB2 H 1 2.99 0.01 . 1 . . . . 68 . . . 6134 1 675 . 1 1 69 69 LYS H H 1 9.19 0.01 . 1 . . . . 69 . . . 6134 1 676 . 1 1 69 69 LYS N N 15 120.8 0.1 . 1 . . . . 69 . . . 6134 1 677 . 1 1 69 69 LYS CA C 13 54.2 0.1 . 1 . . . . 69 . . . 6134 1 678 . 1 1 69 69 LYS CB C 13 35.7 0.1 . 1 . . . . 69 . . . 6134 1 679 . 1 1 69 69 LYS C C 13 171.1 0.1 . 1 . . . . 69 . . . 6134 1 680 . 1 1 69 69 LYS HA H 1 5.09 0.01 . 1 . . . . 69 . . . 6134 1 681 . 1 1 69 69 LYS CE C 13 41.5 0.1 . 1 . . . . 69 . . . 6134 1 682 . 1 1 69 69 LYS CD C 13 29.1 0.1 . 1 . . . . 69 . . . 6134 1 683 . 1 1 69 69 LYS CG C 13 24.2 0.1 . 1 . . . . 69 . . . 6134 1 684 . 1 1 69 69 LYS HE3 H 1 2.99 0.01 . 1 . . . . 69 . . . 6134 1 685 . 1 1 69 69 LYS HG3 H 1 1.37 0.01 . 1 . . . . 69 . . . 6134 1 686 . 1 1 69 69 LYS HB3 H 1 1.61 0.01 . 1 . . . . 69 . . . 6134 1 687 . 1 1 70 70 ARG H H 1 8.95 0.01 . 1 . . . . 70 . . . 6134 1 688 . 1 1 70 70 ARG N N 15 124.1 0.1 . 1 . . . . 70 . . . 6134 1 689 . 1 1 70 70 ARG CA C 13 56.2 0.1 . 1 . . . . 70 . . . 6134 1 690 . 1 1 70 70 ARG CB C 13 30.7 0.1 . 1 . . . . 70 . . . 6134 1 691 . 1 1 70 70 ARG C C 13 169.1 0.1 . 1 . . . . 70 . . . 6134 1 692 . 1 1 70 70 ARG HA H 1 4.52 0.01 . 1 . . . . 70 . . . 6134 1 693 . 1 1 70 70 ARG CD C 13 43.2 0.1 . 1 . . . . 70 . . . 6134 1 694 . 1 1 70 70 ARG CG C 13 24.9 0.1 . 1 . . . . 70 . . . 6134 1 695 . 1 1 70 70 ARG HD3 H 1 3.21 0.01 . 1 . . . . 70 . . . 6134 1 696 . 1 1 71 71 VAL H H 1 8.26 0.01 . 1 . . . . 71 . . . 6134 1 697 . 1 1 71 71 VAL N N 15 125.9 0.1 . 1 . . . . 71 . . . 6134 1 698 . 1 1 71 71 VAL CB C 13 32.0 0.1 . 1 . . . . 71 . . . 6134 1 699 . 1 1 71 71 VAL CA C 13 64.8 0.1 . 1 . . . . 71 . . . 6134 1 700 . 1 1 71 71 VAL C C 13 170.4 0.1 . 1 . . . . 71 . . . 6134 1 701 . 1 1 71 71 VAL HA H 1 3.70 0.01 . 1 . . . . 71 . . . 6134 1 702 . 1 1 71 71 VAL CG1 C 13 21.9 0.1 . 1 . . . . 71 . . . 6134 1 703 . 1 1 71 71 VAL CG2 C 13 20.4 0.1 . 1 . . . . 71 . . . 6134 1 704 . 1 1 71 71 VAL HB H 1 1.98 0.01 . 1 . . . . 71 . . . 6134 1 705 . 1 1 71 71 VAL HG11 H 1 0.95 0.01 . 1 . . . . 71 . . . 6134 1 706 . 1 1 71 71 VAL HG12 H 1 0.95 0.01 . 1 . . . . 71 . . . 6134 1 707 . 1 1 71 71 VAL HG13 H 1 0.95 0.01 . 1 . . . . 71 . . . 6134 1 708 . 1 1 72 72 ASP H H 1 9.00 0.01 . 1 . . . . 72 . . . 6134 1 709 . 1 1 72 72 ASP N N 15 118.8 0.1 . 1 . . . . 72 . . . 6134 1 710 . 1 1 72 72 ASP CA C 13 55.7 0.1 . 1 . . . . 72 . . . 6134 1 711 . 1 1 72 72 ASP CB C 13 38.4 0.1 . 1 . . . . 72 . . . 6134 1 712 . 1 1 72 72 ASP C C 13 168.9 0.1 . 1 . . . . 72 . . . 6134 1 713 . 1 1 72 72 ASP HA H 1 4.30 0.01 . 1 . . . . 72 . . . 6134 1 714 . 1 1 72 72 ASP HB3 H 1 1.76 0.01 . 1 . . . . 72 . . . 6134 1 715 . 1 1 72 72 ASP HB2 H 1 1.50 0.01 . 1 . . . . 72 . . . 6134 1 716 . 1 1 73 73 ASN H H 1 8.43 0.01 . 1 . . . . 73 . . . 6134 1 717 . 1 1 73 73 ASN N N 15 117.5 0.1 . 1 . . . . 73 . . . 6134 1 718 . 1 1 73 73 ASN CA C 13 51.2 0.1 . 1 . . . . 73 . . . 6134 1 719 . 1 1 73 73 ASN CB C 13 38.8 0.1 . 1 . . . . 73 . . . 6134 1 720 . 1 1 73 73 ASN C C 13 170.3 0.1 . 1 . . . . 73 . . . 6134 1 721 . 1 1 73 73 ASN HA H 1 4.85 0.01 . 1 . . . . 73 . . . 6134 1 722 . 1 1 73 73 ASN HB3 H 1 3.25 0.01 . 1 . . . . 73 . . . 6134 1 723 . 1 1 73 73 ASN HB2 H 1 2.67 0.01 . 1 . . . . 73 . . . 6134 1 724 . 1 1 74 74 GLY H H 1 7.94 0.01 . 1 . . . . 74 . . . 6134 1 725 . 1 1 74 74 GLY N N 15 109.7 0.1 . 1 . . . . 74 . . . 6134 1 726 . 1 1 74 74 GLY CA C 13 46.0 0.1 . 1 . . . . 74 . . . 6134 1 727 . 1 1 74 74 GLY C C 13 173.7 0.1 . 1 . . . . 74 . . . 6134 1 728 . 1 1 74 74 GLY HA3 H 1 3.94 0.01 . 1 . . . . 74 . . . 6134 1 729 . 1 1 74 74 GLY HA2 H 1 4.13 0.01 . 1 . . . . 74 . . . 6134 1 730 . 1 1 75 75 LYS H H 1 8.15 0.01 . 1 . . . . 75 . . . 6134 1 731 . 1 1 75 75 LYS N N 15 121.1 0.1 . 1 . . . . 75 . . . 6134 1 732 . 1 1 75 75 LYS CA C 13 57.1 0.1 . 1 . . . . 75 . . . 6134 1 733 . 1 1 75 75 LYS CB C 13 33.7 0.1 . 1 . . . . 75 . . . 6134 1 734 . 1 1 75 75 LYS C C 13 171.4 0.1 . 1 . . . . 75 . . . 6134 1 735 . 1 1 75 75 LYS HA H 1 4.31 0.01 . 1 . . . . 75 . . . 6134 1 736 . 1 1 75 75 LYS CE C 13 41.9 0.1 . 1 . . . . 75 . . . 6134 1 737 . 1 1 75 75 LYS CD C 13 28.4 0.1 . 1 . . . . 75 . . . 6134 1 738 . 1 1 75 75 LYS CG C 13 26.1 0.1 . 1 . . . . 75 . . . 6134 1 739 . 1 1 75 75 LYS HE3 H 1 2.97 0.01 . 1 . . . . 75 . . . 6134 1 740 . 1 1 75 75 LYS HG3 H 1 1.37 0.01 . 1 . . . . 75 . . . 6134 1 741 . 1 1 75 75 LYS HD3 H 1 1.71 0.01 . 1 . . . . 75 . . . 6134 1 742 . 1 1 75 75 LYS HD2 H 1 1.94 0.01 . 1 . . . . 75 . . . 6134 1 743 . 1 1 75 75 LYS HB3 H 1 2.11 0.01 . 1 . . . . 75 . . . 6134 1 744 . 1 1 76 76 GLU H H 1 8.47 0.01 . 1 . . . . 76 . . . 6134 1 745 . 1 1 76 76 GLU N N 15 120.4 0.1 . 1 . . . . 76 . . . 6134 1 746 . 1 1 76 76 GLU CA C 13 56.2 0.1 . 1 . . . . 76 . . . 6134 1 747 . 1 1 76 76 GLU CB C 13 32.2 0.1 . 1 . . . . 76 . . . 6134 1 748 . 1 1 76 76 GLU C C 13 172.4 0.1 . 1 . . . . 76 . . . 6134 1 749 . 1 1 76 76 GLU HA H 1 4.95 0.01 . 1 . . . . 76 . . . 6134 1 750 . 1 1 76 76 GLU CG C 13 37.1 0.1 . 1 . . . . 76 . . . 6134 1 751 . 1 1 76 76 GLU HB3 H 1 2.06 0.01 . 1 . . . . 76 . . . 6134 1 752 . 1 1 77 77 LEU H H 1 8.71 0.01 . 1 . . . . 77 . . . 6134 1 753 . 1 1 77 77 LEU N N 15 126.8 0.1 . 1 . . . . 77 . . . 6134 1 754 . 1 1 77 77 LEU CA C 13 54.7 0.1 . 1 . . . . 77 . . . 6134 1 755 . 1 1 77 77 LEU CB C 13 45.9 0.1 . 1 . . . . 77 . . . 6134 1 756 . 1 1 77 77 LEU C C 13 173.3 0.1 . 1 . . . . 77 . . . 6134 1 757 . 1 1 77 77 LEU HA H 1 5.10 0.01 . 1 . . . . 77 . . . 6134 1 758 . 1 1 77 77 LEU CG C 13 27.5 0.1 . 1 . . . . 77 . . . 6134 1 759 . 1 1 77 77 LEU CD1 C 13 24.9 0.1 . 1 . . . . 77 . . . 6134 1 760 . 1 1 77 77 LEU HD21 H 1 0.70 0.01 . 1 . . . . 77 . . . 6134 1 761 . 1 1 77 77 LEU HD22 H 1 0.70 0.01 . 1 . . . . 77 . . . 6134 1 762 . 1 1 77 77 LEU HD23 H 1 0.70 0.01 . 1 . . . . 77 . . . 6134 1 763 . 1 1 77 77 LEU HD11 H 1 0.58 0.01 . 1 . . . . 77 . . . 6134 1 764 . 1 1 77 77 LEU HD12 H 1 0.58 0.01 . 1 . . . . 77 . . . 6134 1 765 . 1 1 77 77 LEU HD13 H 1 0.58 0.01 . 1 . . . . 77 . . . 6134 1 766 . 1 1 77 77 LEU HG H 1 1.61 0.01 . 1 . . . . 77 . . . 6134 1 767 . 1 1 78 78 ILE H H 1 8.28 0.01 . 1 . . . . 78 . . . 6134 1 768 . 1 1 78 78 ILE N N 15 125.7 0.1 . 1 . . . . 78 . . . 6134 1 769 . 1 1 78 78 ILE CA C 13 58.3 0.1 . 1 . . . . 78 . . . 6134 1 770 . 1 1 78 78 ILE CB C 13 38.9 0.1 . 1 . . . . 78 . . . 6134 1 771 . 1 1 78 78 ILE C C 13 173.0 0.1 . 1 . . . . 78 . . . 6134 1 772 . 1 1 78 78 ILE HA H 1 5.03 0.01 . 1 . . . . 78 . . . 6134 1 773 . 1 1 78 78 ILE CD1 C 13 11.53 0.1 . 1 . . . . 78 . . . 6134 1 774 . 1 1 78 78 ILE CG2 C 13 16.7 0.1 . 1 . . . . 78 . . . 6134 1 775 . 1 1 78 78 ILE CG1 C 13 27.0 0.1 . 1 . . . . 78 . . . 6134 1 776 . 1 1 78 78 ILE HB H 1 1.90 0.01 . 1 . . . . 78 . . . 6134 1 777 . 1 1 78 78 ILE HG21 H 1 0.92 0.01 . 1 . . . . 78 . . . 6134 1 778 . 1 1 78 78 ILE HG22 H 1 0.92 0.01 . 1 . . . . 78 . . . 6134 1 779 . 1 1 78 78 ILE HG23 H 1 0.92 0.01 . 1 . . . . 78 . . . 6134 1 780 . 1 1 78 78 ILE HD11 H 1 0.87 0.01 . 1 . . . . 78 . . . 6134 1 781 . 1 1 78 78 ILE HD12 H 1 0.87 0.01 . 1 . . . . 78 . . . 6134 1 782 . 1 1 78 78 ILE HD13 H 1 0.87 0.01 . 1 . . . . 78 . . . 6134 1 783 . 1 1 78 78 ILE HG13 H 1 1.59 0.01 . 1 . . . . 78 . . . 6134 1 784 . 1 1 79 79 ALA H H 1 9.35 0.01 . 1 . . . . 79 . . . 6134 1 785 . 1 1 79 79 ALA N N 15 132.6 0.1 . 1 . . . . 79 . . . 6134 1 786 . 1 1 79 79 ALA CB C 13 24.2 0.1 . 1 . . . . 79 . . . 6134 1 787 . 1 1 79 79 ALA CA C 13 49.1 0.1 . 1 . . . . 79 . . . 6134 1 788 . 1 1 79 79 ALA C C 13 172.5 0.1 . 1 . . . . 79 . . . 6134 1 789 . 1 1 79 79 ALA HA H 1 5.61 0.01 . 1 . . . . 79 . . . 6134 1 790 . 1 1 79 79 ALA HB1 H 1 1.02 0.01 . 1 . . . . 79 . . . 6134 1 791 . 1 1 79 79 ALA HB2 H 1 1.02 0.01 . 1 . . . . 79 . . . 6134 1 792 . 1 1 79 79 ALA HB3 H 1 1.02 0.01 . 1 . . . . 79 . . . 6134 1 793 . 1 1 80 80 VAL H H 1 9.07 0.01 . 1 . . . . 80 . . . 6134 1 794 . 1 1 80 80 VAL N N 15 121.9 0.1 . 1 . . . . 80 . . . 6134 1 795 . 1 1 80 80 VAL CB C 13 35.3 0.1 . 1 . . . . 80 . . . 6134 1 796 . 1 1 80 80 VAL CA C 13 60.8 0.1 . 1 . . . . 80 . . . 6134 1 797 . 1 1 80 80 VAL C C 13 171.5 0.1 . 1 . . . . 80 . . . 6134 1 798 . 1 1 80 80 VAL HA H 1 5.35 0.01 . 1 . . . . 80 . . . 6134 1 799 . 1 1 80 80 VAL CG1 C 13 21.5 0.1 . 1 . . . . 80 . . . 6134 1 800 . 1 1 80 80 VAL HB H 1 2.18 0.01 . 1 . . . . 80 . . . 6134 1 801 . 1 1 80 80 VAL HG21 H 1 1.06 0.01 . 1 . . . . 80 . . . 6134 1 802 . 1 1 80 80 VAL HG22 H 1 1.06 0.01 . 1 . . . . 80 . . . 6134 1 803 . 1 1 80 80 VAL HG23 H 1 1.06 0.01 . 1 . . . . 80 . . . 6134 1 804 . 1 1 80 80 VAL HG11 H 1 1.13 0.01 . 1 . . . . 80 . . . 6134 1 805 . 1 1 80 80 VAL HG12 H 1 1.13 0.01 . 1 . . . . 80 . . . 6134 1 806 . 1 1 80 80 VAL HG13 H 1 1.13 0.01 . 1 . . . . 80 . . . 6134 1 807 . 1 1 81 81 ARG H H 1 9.36 0.01 . 1 . . . . 81 . . . 6134 1 808 . 1 1 81 81 ARG N N 15 126.3 0.1 . 1 . . . . 81 . . . 6134 1 809 . 1 1 81 81 ARG CA C 13 54.6 0.1 . 1 . . . . 81 . . . 6134 1 810 . 1 1 81 81 ARG CB C 13 33.3 0.1 . 1 . . . . 81 . . . 6134 1 811 . 1 1 81 81 ARG C C 13 174.6 0.1 . 1 . . . . 81 . . . 6134 1 812 . 1 1 81 81 ARG HA H 1 5.26 0.01 . 1 . . . . 81 . . . 6134 1 813 . 1 1 81 81 ARG CD C 13 42.2 0.1 . 1 . . . . 81 . . . 6134 1 814 . 1 1 81 81 ARG HD3 H 1 3.16 0.01 . 1 . . . . 81 . . . 6134 1 815 . 1 1 82 82 GLU H H 1 8.89 0.01 . 1 . . . . 82 . . . 6134 1 816 . 1 1 82 82 GLU N N 15 124.2 0.1 . 1 . . . . 82 . . . 6134 1 817 . 1 1 82 82 GLU CA C 13 53.7 0.1 . 1 . . . . 82 . . . 6134 1 818 . 1 1 82 82 GLU CB C 13 33.7 0.1 . 1 . . . . 82 . . . 6134 1 819 . 1 1 82 82 GLU C C 13 174.0 0.1 . 1 . . . . 82 . . . 6134 1 820 . 1 1 82 82 GLU HA H 1 5.14 0.01 . 1 . . . . 82 . . . 6134 1 821 . 1 1 82 82 GLU CG C 13 35.3 0.1 . 1 . . . . 82 . . . 6134 1 822 . 1 1 82 82 GLU HG3 H 1 2.12 0.01 . 1 . . . . 82 . . . 6134 1 823 . 1 1 82 82 GLU HB3 H 1 1.97 0.01 . 1 . . . . 82 . . . 6134 1 824 . 1 1 83 83 ILE H H 1 8.58 0.01 . 1 . . . . 83 . . . 6134 1 825 . 1 1 83 83 ILE N N 15 125.7 0.1 . 1 . . . . 83 . . . 6134 1 826 . 1 1 83 83 ILE CA C 13 58.4 0.1 . 1 . . . . 83 . . . 6134 1 827 . 1 1 83 83 ILE CB C 13 36.9 0.1 . 1 . . . . 83 . . . 6134 1 828 . 1 1 83 83 ILE C C 13 171.1 0.1 . 1 . . . . 83 . . . 6134 1 829 . 1 1 83 83 ILE HA H 1 4.68 0.01 . 1 . . . . 83 . . . 6134 1 830 . 1 1 83 83 ILE CD1 C 13 11.61 0.1 . 1 . . . . 83 . . . 6134 1 831 . 1 1 83 83 ILE CG2 C 13 16.9 0.1 . 1 . . . . 83 . . . 6134 1 832 . 1 1 83 83 ILE CG1 C 13 24.2 0.1 . 1 . . . . 83 . . . 6134 1 833 . 1 1 83 83 ILE HB H 1 1.61 0.01 . 1 . . . . 83 . . . 6134 1 834 . 1 1 83 83 ILE HD11 H 1 0.15 0.01 . 1 . . . . 83 . . . 6134 1 835 . 1 1 83 83 ILE HD12 H 1 0.15 0.01 . 1 . . . . 83 . . . 6134 1 836 . 1 1 83 83 ILE HD13 H 1 0.15 0.01 . 1 . . . . 83 . . . 6134 1 837 . 1 1 83 83 ILE HG13 H 1 0.56 0.01 . 1 . . . . 83 . . . 6134 1 838 . 1 1 83 83 ILE HG21 H 1 0.84 0.01 . 1 . . . . 83 . . . 6134 1 839 . 1 1 83 83 ILE HG22 H 1 0.84 0.01 . 1 . . . . 83 . . . 6134 1 840 . 1 1 83 83 ILE HG23 H 1 0.84 0.01 . 1 . . . . 83 . . . 6134 1 841 . 1 1 84 84 SER H H 1 8.96 0.01 . 1 . . . . 84 . . . 6134 1 842 . 1 1 84 84 SER N N 15 124.4 0.1 . 1 . . . . 84 . . . 6134 1 843 . 1 1 84 84 SER CB C 13 62.8 0.1 . 1 . . . . 84 . . . 6134 1 844 . 1 1 84 84 SER CA C 13 56.2 0.1 . 1 . . . . 84 . . . 6134 1 845 . 1 1 84 84 SER C C 13 172.6 0.1 . 1 . . . . 84 . . . 6134 1 846 . 1 1 84 84 SER HA H 1 4.68 0.01 . 1 . . . . 84 . . . 6134 1 847 . 1 1 84 84 SER HB3 H 1 3.83 0.01 . 1 . . . . 84 . . . 6134 1 848 . 1 1 84 84 SER HB2 H 1 3.56 0.01 . 1 . . . . 84 . . . 6134 1 849 . 1 1 85 85 GLY H H 1 9.12 0.01 . 1 . . . . 85 . . . 6134 1 850 . 1 1 85 85 GLY N N 15 119.4 0.1 . 1 . . . . 85 . . . 6134 1 851 . 1 1 85 85 GLY CA C 13 47.1 0.1 . 1 . . . . 85 . . . 6134 1 852 . 1 1 85 85 GLY C C 13 174.1 0.1 . 1 . . . . 85 . . . 6134 1 853 . 1 1 85 85 GLY HA3 H 1 3.62 0.01 . 1 . . . . 85 . . . 6134 1 854 . 1 1 85 85 GLY HA2 H 1 4.02 0.01 . 1 . . . . 85 . . . 6134 1 855 . 1 1 86 86 ASN H H 1 8.84 0.01 . 1 . . . . 86 . . . 6134 1 856 . 1 1 86 86 ASN N N 15 126.3 0.1 . 1 . . . . 86 . . . 6134 1 857 . 1 1 86 86 ASN CA C 13 52.6 0.1 . 1 . . . . 86 . . . 6134 1 858 . 1 1 86 86 ASN CB C 13 38.4 0.1 . 1 . . . . 86 . . . 6134 1 859 . 1 1 86 86 ASN C C 13 174.1 0.1 . 1 . . . . 86 . . . 6134 1 860 . 1 1 86 86 ASN HA H 1 4.90 0.01 . 1 . . . . 86 . . . 6134 1 861 . 1 1 86 86 ASN HB3 H 1 3.18 0.01 . 1 . . . . 86 . . . 6134 1 862 . 1 1 86 86 ASN HB2 H 1 2.98 0.01 . 1 . . . . 86 . . . 6134 1 863 . 1 1 87 87 GLU H H 1 8.30 0.01 . 1 . . . . 87 . . . 6134 1 864 . 1 1 87 87 GLU N N 15 119.5 0.1 . 1 . . . . 87 . . . 6134 1 865 . 1 1 87 87 GLU CA C 13 54.7 0.1 . 1 . . . . 87 . . . 6134 1 866 . 1 1 87 87 GLU CB C 13 33.3 0.1 . 1 . . . . 87 . . . 6134 1 867 . 1 1 87 87 GLU C C 13 174.4 0.1 . 1 . . . . 87 . . . 6134 1 868 . 1 1 87 87 GLU HA H 1 5.26 0.01 . 1 . . . . 87 . . . 6134 1 869 . 1 1 87 87 GLU CG C 13 36.9 0.1 . 1 . . . . 87 . . . 6134 1 870 . 1 1 87 87 GLU HB3 H 1 2.25 0.01 . 1 . . . . 87 . . . 6134 1 871 . 1 1 87 87 GLU HB2 H 1 2.00 0.01 . 1 . . . . 87 . . . 6134 1 872 . 1 1 88 88 LEU H H 1 8.65 0.01 . 1 . . . . 88 . . . 6134 1 873 . 1 1 88 88 LEU N N 15 124.6 0.1 . 1 . . . . 88 . . . 6134 1 874 . 1 1 88 88 LEU CB C 13 43.4 0.1 . 1 . . . . 88 . . . 6134 1 875 . 1 1 88 88 LEU CA C 13 53.7 0.1 . 1 . . . . 88 . . . 6134 1 876 . 1 1 88 88 LEU C C 13 172.8 0.1 . 1 . . . . 88 . . . 6134 1 877 . 1 1 88 88 LEU HA H 1 4.71 0.01 . 1 . . . . 88 . . . 6134 1 878 . 1 1 88 88 LEU CG C 13 26.9 0.1 . 1 . . . . 88 . . . 6134 1 879 . 1 1 88 88 LEU CD1 C 13 24.6 0.1 . 1 . . . . 88 . . . 6134 1 880 . 1 1 88 88 LEU HG H 1 0.87 0.01 . 1 . . . . 88 . . . 6134 1 881 . 1 1 88 88 LEU HD11 H 1 0.11 0.01 . 1 . . . . 88 . . . 6134 1 882 . 1 1 88 88 LEU HD12 H 1 0.11 0.01 . 1 . . . . 88 . . . 6134 1 883 . 1 1 88 88 LEU HD13 H 1 0.11 0.01 . 1 . . . . 88 . . . 6134 1 884 . 1 1 89 89 ILE H H 1 9.52 0.01 . 1 . . . . 89 . . . 6134 1 885 . 1 1 89 89 ILE N N 15 128.3 0.1 . 1 . . . . 89 . . . 6134 1 886 . 1 1 89 89 ILE CA C 13 61.2 0.1 . 1 . . . . 89 . . . 6134 1 887 . 1 1 89 89 ILE CB C 13 38.3 0.1 . 1 . . . . 89 . . . 6134 1 888 . 1 1 89 89 ILE C C 13 172.3 0.1 . 1 . . . . 89 . . . 6134 1 889 . 1 1 89 89 ILE HA H 1 4.55 0.01 . 1 . . . . 89 . . . 6134 1 890 . 1 1 89 89 ILE CD1 C 13 13.8 0.1 . 1 . . . . 89 . . . 6134 1 891 . 1 1 89 89 ILE CG2 C 13 17.9 0.1 . 1 . . . . 89 . . . 6134 1 892 . 1 1 89 89 ILE CG1 C 13 27.9 0.1 . 1 . . . . 89 . . . 6134 1 893 . 1 1 89 89 ILE HG13 H 1 1.18 0.01 . 1 . . . . 89 . . . 6134 1 894 . 1 1 89 89 ILE HB H 1 1.97 0.01 . 1 . . . . 89 . . . 6134 1 895 . 1 1 89 89 ILE HD11 H 1 0.93 0.01 . 1 . . . . 89 . . . 6134 1 896 . 1 1 89 89 ILE HD12 H 1 0.93 0.01 . 1 . . . . 89 . . . 6134 1 897 . 1 1 89 89 ILE HD13 H 1 0.93 0.01 . 1 . . . . 89 . . . 6134 1 898 . 1 1 89 89 ILE HG21 H 1 1.11 0.01 . 1 . . . . 89 . . . 6134 1 899 . 1 1 89 89 ILE HG22 H 1 1.11 0.01 . 1 . . . . 89 . . . 6134 1 900 . 1 1 89 89 ILE HG23 H 1 1.11 0.01 . 1 . . . . 89 . . . 6134 1 901 . 1 1 90 90 GLN H H 1 9.50 0.01 . 1 . . . . 90 . . . 6134 1 902 . 1 1 90 90 GLN N N 15 132.4 0.1 . 1 . . . . 90 . . . 6134 1 903 . 1 1 90 90 GLN CA C 13 53.2 0.1 . 1 . . . . 90 . . . 6134 1 904 . 1 1 90 90 GLN CB C 13 34.3 0.1 . 1 . . . . 90 . . . 6134 1 905 . 1 1 90 90 GLN C C 13 173.3 0.1 . 1 . . . . 90 . . . 6134 1 906 . 1 1 90 90 GLN HA H 1 5.79 0.01 . 1 . . . . 90 . . . 6134 1 907 . 1 1 90 90 GLN CG C 13 35.9 0.1 . 1 . . . . 90 . . . 6134 1 908 . 1 1 90 90 GLN HB3 H 1 2.45 0.01 . 1 . . . . 90 . . . 6134 1 909 . 1 1 90 90 GLN HG3 H 1 1.82 0.01 . 1 . . . . 90 . . . 6134 1 910 . 1 1 90 90 GLN HB2 H 1 2.20 0.01 . 1 . . . . 90 . . . 6134 1 911 . 1 1 91 91 THR H H 1 9.4 0.01 . 1 . . . . 91 . . . 6134 1 912 . 1 1 91 91 THR N N 15 123.3 0.1 . 1 . . . . 91 . . . 6134 1 913 . 1 1 91 91 THR CA C 13 60.7 0.1 . 1 . . . . 91 . . . 6134 1 914 . 1 1 91 91 THR CB C 13 70.0 0.1 . 1 . . . . 91 . . . 6134 1 915 . 1 1 91 91 THR C C 13 173.7 0.1 . 1 . . . . 91 . . . 6134 1 916 . 1 1 91 91 THR HA H 1 5.34 0.01 . 1 . . . . 91 . . . 6134 1 917 . 1 1 91 91 THR CG2 C 13 21.3 0.1 . 1 . . . . 91 . . . 6134 1 918 . 1 1 91 91 THR HB H 1 4.02 0.01 . 1 . . . . 91 . . . 6134 1 919 . 1 1 91 91 THR HG21 H 1 1.13 0.01 . 1 . . . . 91 . . . 6134 1 920 . 1 1 91 91 THR HG22 H 1 1.13 0.01 . 1 . . . . 91 . . . 6134 1 921 . 1 1 91 91 THR HG23 H 1 1.13 0.01 . 1 . . . . 91 . . . 6134 1 922 . 1 1 92 92 TYR H H 1 8.99 0.01 . 1 . . . . 92 . . . 6134 1 923 . 1 1 92 92 TYR N N 15 127.0 0.1 . 1 . . . . 92 . . . 6134 1 924 . 1 1 92 92 TYR CA C 13 55.3 0.1 . 1 . . . . 92 . . . 6134 1 925 . 1 1 92 92 TYR CB C 13 40.9 0.1 . 1 . . . . 92 . . . 6134 1 926 . 1 1 92 92 TYR C C 13 171.9 0.1 . 1 . . . . 92 . . . 6134 1 927 . 1 1 92 92 TYR HA H 1 5.69 0.01 . 1 . . . . 92 . . . 6134 1 928 . 1 1 92 92 TYR HB3 H 1 3.20 0.01 . 1 . . . . 92 . . . 6134 1 929 . 1 1 92 92 TYR HB2 H 1 3.00 0.01 . 1 . . . . 92 . . . 6134 1 930 . 1 1 92 92 TYR HD1 H 1 7.14 0.01 . 1 . . . . 92 . . . 6134 1 931 . 1 1 92 92 TYR CE1 C 13 117.9 0.1 . 1 . . . . 92 . . . 6134 1 932 . 1 1 92 92 TYR HE1 H 1 6.61 0.01 . 1 . . . . 92 . . . 6134 1 933 . 1 1 92 92 TYR CD1 C 13 131.5 0.1 . 1 . . . . 92 . . . 6134 1 934 . 1 1 93 93 THR H H 1 9.51 0.01 . 1 . . . . 93 . . . 6134 1 935 . 1 1 93 93 THR N N 15 121.1 0.1 . 1 . . . . 93 . . . 6134 1 936 . 1 1 93 93 THR CA C 13 61.8 0.1 . 1 . . . . 93 . . . 6134 1 937 . 1 1 93 93 THR CB C 13 69.0 0.1 . 1 . . . . 93 . . . 6134 1 938 . 1 1 93 93 THR C C 13 174.4 0.1 . 1 . . . . 93 . . . 6134 1 939 . 1 1 93 93 THR HA H 1 5.32 0.01 . 1 . . . . 93 . . . 6134 1 940 . 1 1 93 93 THR CG2 C 13 20.4 0.1 . 1 . . . . 93 . . . 6134 1 941 . 1 1 93 93 THR HB H 1 4.02 0.01 . 1 . . . . 93 . . . 6134 1 942 . 1 1 93 93 THR HG21 H 1 1.13 0.01 . 1 . . . . 93 . . . 6134 1 943 . 1 1 93 93 THR HG22 H 1 1.13 0.01 . 1 . . . . 93 . . . 6134 1 944 . 1 1 93 93 THR HG23 H 1 1.13 0.01 . 1 . . . . 93 . . . 6134 1 945 . 1 1 94 94 TYR H H 1 8.43 0.01 . 1 . . . . 94 . . . 6134 1 946 . 1 1 94 94 TYR N N 15 128.5 0.1 . 1 . . . . 94 . . . 6134 1 947 . 1 1 94 94 TYR CA C 13 56.7 0.1 . 1 . . . . 94 . . . 6134 1 948 . 1 1 94 94 TYR CB C 13 40.9 0.1 . 1 . . . . 94 . . . 6134 1 949 . 1 1 94 94 TYR C C 13 173.2 0.1 . 1 . . . . 94 . . . 6134 1 950 . 1 1 94 94 TYR HA H 1 4.99 0.01 . 1 . . . . 94 . . . 6134 1 951 . 1 1 94 94 TYR HB3 H 1 2.99 0.01 . 1 . . . . 94 . . . 6134 1 952 . 1 1 94 94 TYR HB2 H 1 3.04 0.01 . 1 . . . . 94 . . . 6134 1 953 . 1 1 94 94 TYR HD1 H 1 7.32 0.01 . 1 . . . . 94 . . . 6134 1 954 . 1 1 94 94 TYR CD1 C 13 133.9 0.1 . 1 . . . . 94 . . . 6134 1 955 . 1 1 94 94 TYR HE1 H 1 6.56 0.01 . 1 . . . . 94 . . . 6134 1 956 . 1 1 94 94 TYR CE1 C 13 118.9 0.1 . 1 . . . . 94 . . . 6134 1 957 . 1 1 94 94 TYR CG C 13 138.7 0.1 . 1 . . . . 94 . . . 6134 1 958 . 1 1 95 95 GLU H H 1 9.51 0.01 . 1 . . . . 95 . . . 6134 1 959 . 1 1 95 95 GLU N N 15 129.0 0.1 . 1 . . . . 95 . . . 6134 1 960 . 1 1 95 95 GLU CA C 13 56.6 0.1 . 1 . . . . 95 . . . 6134 1 961 . 1 1 95 95 GLU CB C 13 27.5 0.1 . 1 . . . . 95 . . . 6134 1 962 . 1 1 95 95 GLU C C 13 171.6 0.1 . 1 . . . . 95 . . . 6134 1 963 . 1 1 95 95 GLU HA H 1 3.65 0.01 . 1 . . . . 95 . . . 6134 1 964 . 1 1 95 95 GLU CG C 13 35.8 0.1 . 1 . . . . 95 . . . 6134 1 965 . 1 1 95 95 GLU HB3 H 1 2.00 0.01 . 1 . . . . 95 . . . 6134 1 966 . 1 1 95 95 GLU HB2 H 1 1.68 0.01 . 1 . . . . 95 . . . 6134 1 967 . 1 1 95 95 GLU HG3 H 1 1.44 0.01 . 1 . . . . 95 . . . 6134 1 968 . 1 1 95 95 GLU HG2 H 1 1.35 0.01 . 1 . . . . 95 . . . 6134 1 969 . 1 1 96 96 GLY H H 1 8.57 0.01 . 1 . . . . 96 . . . 6134 1 970 . 1 1 96 96 GLY N N 15 103.9 0.1 . 1 . . . . 96 . . . 6134 1 971 . 1 1 96 96 GLY CA C 13 44.9 0.1 . 1 . . . . 96 . . . 6134 1 972 . 1 1 96 96 GLY C C 13 174.0 0.1 . 1 . . . . 96 . . . 6134 1 973 . 1 1 96 96 GLY HA3 H 1 3.57 0.01 . 1 . . . . 96 . . . 6134 1 974 . 1 1 96 96 GLY HA2 H 1 4.12 0.01 . 1 . . . . 96 . . . 6134 1 975 . 1 1 97 97 VAL H H 1 7.86 0.01 . 1 . . . . 97 . . . 6134 1 976 . 1 1 97 97 VAL N N 15 123.2 0.1 . 1 . . . . 97 . . . 6134 1 977 . 1 1 97 97 VAL CA C 13 61.8 0.1 . 1 . . . . 97 . . . 6134 1 978 . 1 1 97 97 VAL CB C 13 32.8 0.1 . 1 . . . . 97 . . . 6134 1 979 . 1 1 97 97 VAL HG21 H 1 1.00 0.01 . 1 . . . . 97 . . . 6134 1 980 . 1 1 97 97 VAL HG22 H 1 1.00 0.01 . 1 . . . . 97 . . . 6134 1 981 . 1 1 97 97 VAL HG23 H 1 1.00 0.01 . 1 . . . . 97 . . . 6134 1 982 . 1 1 97 97 VAL HB H 1 2.24 0.01 . 1 . . . . 97 . . . 6134 1 983 . 1 1 97 97 VAL HA H 1 4.28 0.01 . 1 . . . . 97 . . . 6134 1 984 . 1 1 97 97 VAL CG1 C 13 20.7 0.1 . 1 . . . . 97 . . . 6134 1 985 . 1 1 97 97 VAL C C 13 172.7 0.1 . 1 . . . . 97 . . . 6134 1 986 . 1 1 98 98 GLU H H 1 8.76 0.01 . 1 . . . . 98 . . . 6134 1 987 . 1 1 98 98 GLU N N 15 129.6 0.1 . 1 . . . . 98 . . . 6134 1 988 . 1 1 98 98 GLU CA C 13 54.8 0.1 . 1 . . . . 98 . . . 6134 1 989 . 1 1 98 98 GLU CB C 13 32.3 0.1 . 1 . . . . 98 . . . 6134 1 990 . 1 1 98 98 GLU C C 13 172.2 0.1 . 1 . . . . 98 . . . 6134 1 991 . 1 1 98 98 GLU HA H 1 5.07 0.01 . 1 . . . . 98 . . . 6134 1 992 . 1 1 98 98 GLU CG C 13 36.7 0.1 . 1 . . . . 98 . . . 6134 1 993 . 1 1 98 98 GLU HG3 H 1 2.17 0.01 . 1 . . . . 98 . . . 6134 1 994 . 1 1 99 99 ALA H H 1 9.23 0.01 . 1 . . . . 99 . . . 6134 1 995 . 1 1 99 99 ALA N N 15 130.6 0.1 . 1 . . . . 99 . . . 6134 1 996 . 1 1 99 99 ALA CA C 13 51.1 0.1 . 1 . . . . 99 . . . 6134 1 997 . 1 1 99 99 ALA CB C 13 20.5 0.1 . 1 . . . . 99 . . . 6134 1 998 . 1 1 99 99 ALA C C 13 172.0 0.1 . 1 . . . . 99 . . . 6134 1 999 . 1 1 99 99 ALA HA H 1 4.84 0.01 . 1 . . . . 99 . . . 6134 1 1000 . 1 1 99 99 ALA HB1 H 1 1.51 0.01 . 1 . . . . 99 . . . 6134 1 1001 . 1 1 99 99 ALA HB2 H 1 1.51 0.01 . 1 . . . . 99 . . . 6134 1 1002 . 1 1 99 99 ALA HB3 H 1 1.51 0.01 . 1 . . . . 99 . . . 6134 1 1003 . 1 1 100 100 LYS H H 1 8.90 0.01 . 1 . . . . 100 . . . 6134 1 1004 . 1 1 100 100 LYS N N 15 127.6 0.1 . 1 . . . . 100 . . . 6134 1 1005 . 1 1 100 100 LYS CA C 13 54.6 0.1 . 1 . . . . 100 . . . 6134 1 1006 . 1 1 100 100 LYS CB C 13 35.4 0.1 . 1 . . . . 100 . . . 6134 1 1007 . 1 1 100 100 LYS C C 13 171.8 0.1 . 1 . . . . 100 . . . 6134 1 1008 . 1 1 100 100 LYS HA H 1 5.63 0.01 . 1 . . . . 100 . . . 6134 1 1009 . 1 1 100 100 LYS CE C 13 41.2 0.1 . 1 . . . . 100 . . . 6134 1 1010 . 1 1 100 100 LYS CD C 13 28.9 0.1 . 1 . . . . 100 . . . 6134 1 1011 . 1 1 100 100 LYS CG C 13 24.2 0.1 . 1 . . . . 100 . . . 6134 1 1012 . 1 1 100 100 LYS HD3 H 1 1.66 0.01 . 1 . . . . 100 . . . 6134 1 1013 . 1 1 100 100 LYS HE3 H 1 2.90 0.01 . 1 . . . . 100 . . . 6134 1 1014 . 1 1 100 100 LYS HG3 H 1 1.39 0.01 . 1 . . . . 100 . . . 6134 1 1015 . 1 1 101 101 ARG H H 1 9.31 0.01 . 1 . . . . 101 . . . 6134 1 1016 . 1 1 101 101 ARG N N 15 127.2 0.1 . 1 . . . . 101 . . . 6134 1 1017 . 1 1 101 101 ARG CB C 13 34.8 0.1 . 1 . . . . 101 . . . 6134 1 1018 . 1 1 101 101 ARG CA C 13 54.2 0.1 . 1 . . . . 101 . . . 6134 1 1019 . 1 1 101 101 ARG C C 13 174.3 0.1 . 1 . . . . 101 . . . 6134 1 1020 . 1 1 101 101 ARG HA H 1 4.60 0.01 . 1 . . . . 101 . . . 6134 1 1021 . 1 1 101 101 ARG CD C 13 42.9 0.1 . 1 . . . . 101 . . . 6134 1 1022 . 1 1 101 101 ARG HD3 H 1 3.14 0.01 . 1 . . . . 101 . . . 6134 1 1023 . 1 1 101 101 ARG HD2 H 1 2.94 0.01 . 1 . . . . 101 . . . 6134 1 1024 . 1 1 101 101 ARG HG2 H 1 1.53 0.01 . 1 . . . . 101 . . . 6134 1 1025 . 1 1 101 101 ARG HG3 H 1 1.40 0.01 . 1 . . . . 101 . . . 6134 1 1026 . 1 1 101 101 ARG HB3 H 1 1.77 0.01 . 1 . . . . 101 . . . 6134 1 1027 . 1 1 102 102 ILE H H 1 8.49 0.01 . 1 . . . . 102 . . . 6134 1 1028 . 1 1 102 102 ILE N N 15 124.2 0.1 . 1 . . . . 102 . . . 6134 1 1029 . 1 1 102 102 ILE CA C 13 60.7 0.1 . 1 . . . . 102 . . . 6134 1 1030 . 1 1 102 102 ILE CB C 13 38.3 0.1 . 1 . . . . 102 . . . 6134 1 1031 . 1 1 102 102 ILE C C 13 172.6 0.1 . 1 . . . . 102 . . . 6134 1 1032 . 1 1 102 102 ILE HA H 1 4.77 0.01 . 1 . . . . 102 . . . 6134 1 1033 . 1 1 102 102 ILE CD1 C 13 13.0 0.1 . 1 . . . . 102 . . . 6134 1 1034 . 1 1 102 102 ILE CG1 C 13 17.6 0.1 . 1 . . . . 102 . . . 6134 1 1035 . 1 1 102 102 ILE CG2 C 13 27.2 0.1 . 1 . . . . 102 . . . 6134 1 1036 . 1 1 102 102 ILE HD11 H 1 0.93 0.01 . 1 . . . . 102 . . . 6134 1 1037 . 1 1 102 102 ILE HD12 H 1 0.93 0.01 . 1 . . . . 102 . . . 6134 1 1038 . 1 1 102 102 ILE HD13 H 1 0.93 0.01 . 1 . . . . 102 . . . 6134 1 1039 . 1 1 102 102 ILE HB H 1 1.82 0.01 . 1 . . . . 102 . . . 6134 1 1040 . 1 1 102 102 ILE HG13 H 1 1.97 0.01 . 1 . . . . 102 . . . 6134 1 1041 . 1 1 102 102 ILE HG21 H 1 1.58 0.01 . 1 . . . . 102 . . . 6134 1 1042 . 1 1 102 102 ILE HG22 H 1 1.58 0.01 . 1 . . . . 102 . . . 6134 1 1043 . 1 1 102 102 ILE HG23 H 1 1.58 0.01 . 1 . . . . 102 . . . 6134 1 1044 . 1 1 103 103 PHE H H 1 9.71 0.01 . 1 . . . . 103 . . . 6134 1 1045 . 1 1 103 103 PHE N N 15 126.9 0.1 . 1 . . . . 103 . . . 6134 1 1046 . 1 1 103 103 PHE CA C 13 56.7 0.1 . 1 . . . . 103 . . . 6134 1 1047 . 1 1 103 103 PHE CB C 13 41.9 0.1 . 1 . . . . 103 . . . 6134 1 1048 . 1 1 103 103 PHE C C 13 172.0 0.1 . 1 . . . . 103 . . . 6134 1 1049 . 1 1 103 103 PHE HA H 1 4.57 0.01 . 1 . . . . 103 . . . 6134 1 1050 . 1 1 103 103 PHE HB3 H 1 3.21 0.01 . 1 . . . . 103 . . . 6134 1 1051 . 1 1 103 103 PHE HB2 H 1 3.52 0.01 . 1 . . . . 103 . . . 6134 1 1052 . 1 1 103 103 PHE CD1 C 13 132.5 0.1 . 1 . . . . 103 . . . 6134 1 1053 . 1 1 103 103 PHE HE1 H 1 7.00 0.01 . 1 . . . . 103 . . . 6134 1 1054 . 1 1 103 103 PHE HD1 H 1 7.16 0.01 . 1 . . . . 103 . . . 6134 1 1055 . 1 1 104 104 LYS H H 1 8.75 0.01 . 1 . . . . 104 . . . 6134 1 1056 . 1 1 104 104 LYS N N 15 120.9 0.1 . 1 . . . . 104 . . . 6134 1 1057 . 1 1 104 104 LYS CA C 13 54.6 0.1 . 1 . . . . 104 . . . 6134 1 1058 . 1 1 104 104 LYS CB C 13 34.8 0.1 . 1 . . . . 104 . . . 6134 1 1059 . 1 1 104 104 LYS C C 13 170.8 0.1 . 1 . . . . 104 . . . 6134 1 1060 . 1 1 104 104 LYS HA H 1 5.37 0.01 . 1 . . . . 104 . . . 6134 1 1061 . 1 1 104 104 LYS CE C 13 41.7 0.1 . 1 . . . . 104 . . . 6134 1 1062 . 1 1 104 104 LYS CD C 13 28.7 0.1 . 1 . . . . 104 . . . 6134 1 1063 . 1 1 104 104 LYS CG C 13 24.7 0.1 . 1 . . . . 104 . . . 6134 1 1064 . 1 1 104 104 LYS HD3 H 1 1.9 0.01 . 1 . . . . 104 . . . 6134 1 1065 . 1 1 104 104 LYS HE3 H 1 3.16 0.01 . 1 . . . . 104 . . . 6134 1 1066 . 1 1 104 104 LYS HG3 H 1 1.75 0.01 . 1 . . . . 104 . . . 6134 1 1067 . 1 1 104 104 LYS HB3 H 1 2.11 0.01 . 1 . . . . 104 . . . 6134 1 1068 . 1 1 104 104 LYS HB2 H 1 2.11 0.01 . 1 . . . . 104 . . . 6134 1 1069 . 1 1 105 105 LYS H H 1 8.68 0.01 . 1 . . . . 105 . . . 6134 1 1070 . 1 1 105 105 LYS N N 15 128.1 0.1 . 1 . . . . 105 . . . 6134 1 1071 . 1 1 105 105 LYS CA C 13 56.7 0.1 . 1 . . . . 105 . . . 6134 1 1072 . 1 1 105 105 LYS CB C 13 32.8 0.1 . 1 . . . . 105 . . . 6134 1 1073 . 1 1 105 105 LYS C C 13 171.5 0.1 . 1 . . . . 105 . . . 6134 1 1074 . 1 1 105 105 LYS HA H 1 4.00 0.01 . 1 . . . . 105 . . . 6134 1 1075 . 1 1 105 105 LYS CE C 13 41.9 0.1 . 1 . . . . 105 . . . 6134 1 1076 . 1 1 105 105 LYS CD C 13 28.2 0.1 . 1 . . . . 105 . . . 6134 1 1077 . 1 1 105 105 LYS CG C 13 24.0 0.1 . 1 . . . . 105 . . . 6134 1 1078 . 1 1 105 105 LYS HG3 H 1 0.12 0.01 . 1 . . . . 105 . . . 6134 1 1079 . 1 1 105 105 LYS HE3 H 1 2.65 0.01 . 1 . . . . 105 . . . 6134 1 1080 . 1 1 105 105 LYS HD3 H 1 1.13 0.01 . 1 . . . . 105 . . . 6134 1 1081 . 1 1 105 105 LYS HB2 H 1 1.5 0.01 . 1 . . . . 105 . . . 6134 1 1082 . 1 1 105 105 LYS HB3 H 1 1.59 0.01 . 1 . . . . 105 . . . 6134 1 1083 . 1 1 106 106 GLU H H 1 8.42 0.01 . 1 . . . . 106 . . . 6134 1 1084 . 1 1 106 106 GLU N N 15 133.1 0.1 . 1 . . . . 106 . . . 6134 1 1085 . 1 1 106 106 GLU CB C 13 31.3 0.1 . 1 . . . . 106 . . . 6134 1 1086 . 1 1 106 106 GLU CA C 13 57.8 0.1 . 1 . . . . 106 . . . 6134 1 1087 . 1 1 106 106 GLU HA H 1 4.17 0.01 . 1 . . . . 106 . . . 6134 1 1088 . 1 1 106 106 GLU C C 13 166.8 0.1 . 1 . . . . 106 . . . 6134 1 1089 . 1 1 106 106 GLU HB3 H 1 1.73 0.01 . 1 . . . . 106 . . . 6134 1 1090 . 1 1 106 106 GLU HB2 H 1 1.94 0.01 . 1 . . . . 106 . . . 6134 1 1091 . 1 1 106 106 GLU HG3 H 1 2.18 0.01 . 1 . . . . 106 . . . 6134 1 stop_ save_