data_7300 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7300 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Determination of the solution structure of the COMMD1 N-terminal domain' 'Structure analysis' 'The chemical shifts deposited here where part of the structure determination of the COMMD1 N-terminal domain' 7300 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7300 _Entry.Title ; Solution Structure of the COMMD1 N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-20 _Entry.Accession_date 2006-09-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Monika Sommerhalter . . . 7300 2 Yongbo Zhang . . . 7300 3 Amy Rosenzweig . C. . 7300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 7300 '15N chemical shifts' 108 7300 '1H chemical shifts' 714 7300 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 2 . . 2008-07-17 2006-09-20 update BMRB 'complete entry citation' 7300 1 . . 2006-12-20 2006-09-20 original author 'original release' 7300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17097678 _Citation.Full_citation . _Citation.Title 'Solution structure of the COMMD1 N-terminal domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 365 _Citation.Journal_issue 3 _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 715 _Citation.Page_last 721 _Citation.Year 2007 _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 Monika Sommerhalter . . . 7300 1 2 Yongbo Zhang . . . 7300 1 3 Amy Rosenzweig . C. . 7300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7300 _Assembly.ID 1 _Assembly.Name 'COMMD1 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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_ _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 'COMMD1 N-terminal domain' 1 $COMMD1 . . yes native no no . . . 7300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_COMMD1 _Entity.Sf_category entity _Entity.Sf_framecode COMMD1 _Entity.Entry_ID 7300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name COMMD1 _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 ; MAAGELEGGKPLSGLLNALA QDTFHGYPGITEELLRSQLY PEVPPEEFRPFLAKMRGILK SIASADMDFNQLEAFLTAQT KKQGGITSDQAAVISKFWKS HKTKIRESLMNQSRWNSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2H2M . "Solution Structure Of The N-Terminal Domain Of Commd1 (Murr1)" . . . . . 91.53 108 100.00 100.00 6.31e-72 . . . . 7300 1 2 no DBJ BAD18972 . "MURR1 [Homo sapiens]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 1 3 no DBJ BAD97327 . "MURR1 variant [Homo sapiens]" . . . . . 100.00 190 99.15 99.15 1.53e-78 . . . . 7300 1 4 no DBJ BAG57515 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 159 100.00 100.00 6.30e-80 . . . . 7300 1 5 no DBJ BAJ20791 . "copper metabolism (Murr1) domain containing 1 [synthetic construct]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 1 6 no GB AAH09266 . "COMMD1 protein, partial [Homo sapiens]" . . . . . 96.61 186 100.00 100.00 5.64e-77 . . . . 7300 1 7 no GB AAH22046 . "Copper metabolism (Murr1) domain containing 1 [Homo sapiens]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 1 8 no GB AAY24141 . "unknown [Homo sapiens]" . . . . . 50.85 60 100.00 100.00 2.56e-34 . . . . 7300 1 9 no GB ADQ32226 . "copper metabolism (Murr1) domain containing 1 [synthetic construct]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 1 10 no GB AIC57816 . "COMMD1, partial [synthetic construct]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 1 11 no REF NP_689729 . "COMM domain-containing protein 1 [Homo sapiens]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 1 12 no REF XP_003262484 . "PREDICTED: COMM domain-containing protein 1 [Nomascus leucogenys]" . . . . . 100.00 190 99.15 99.15 2.21e-78 . . . . 7300 1 13 no REF XP_003788045 . "PREDICTED: COMM domain-containing protein 1 [Otolemur garnettii]" . . . . . 80.51 219 97.89 100.00 3.15e-61 . . . . 7300 1 14 no REF XP_003830923 . "PREDICTED: COMM domain-containing protein 1 [Pan paniscus]" . . . . . 100.00 190 99.15 99.15 7.29e-79 . . . . 7300 1 15 no REF XP_003908759 . "PREDICTED: COMM domain-containing protein 1-like isoform X3 [Papio anubis]" . . . . . 50.00 117 98.31 100.00 5.75e-32 . . . . 7300 1 16 no SP Q8N668 . "RecName: Full=COMM domain-containing protein 1; AltName: Full=Protein Murr1 [Homo sapiens]" . . . . . 100.00 190 100.00 100.00 6.48e-80 . . . . 7300 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 . MET . 7300 1 2 . ALA . 7300 1 3 . ALA . 7300 1 4 . GLY . 7300 1 5 . GLU . 7300 1 6 . LEU . 7300 1 7 . GLU . 7300 1 8 . GLY . 7300 1 9 . GLY . 7300 1 10 . LYS . 7300 1 11 . PRO . 7300 1 12 . LEU . 7300 1 13 . SER . 7300 1 14 . GLY . 7300 1 15 . LEU . 7300 1 16 . LEU . 7300 1 17 . ASN . 7300 1 18 . ALA . 7300 1 19 . LEU . 7300 1 20 . ALA . 7300 1 21 . GLN . 7300 1 22 . ASP . 7300 1 23 . THR . 7300 1 24 . PHE . 7300 1 25 . HIS . 7300 1 26 . GLY . 7300 1 27 . TYR . 7300 1 28 . PRO . 7300 1 29 . GLY . 7300 1 30 . ILE . 7300 1 31 . THR . 7300 1 32 . GLU . 7300 1 33 . GLU . 7300 1 34 . LEU . 7300 1 35 . LEU . 7300 1 36 . ARG . 7300 1 37 . SER . 7300 1 38 . GLN . 7300 1 39 . LEU . 7300 1 40 . TYR . 7300 1 41 . PRO . 7300 1 42 . GLU . 7300 1 43 . VAL . 7300 1 44 . PRO . 7300 1 45 . PRO . 7300 1 46 . GLU . 7300 1 47 . GLU . 7300 1 48 . PHE . 7300 1 49 . ARG . 7300 1 50 . PRO . 7300 1 51 . PHE . 7300 1 52 . LEU . 7300 1 53 . ALA . 7300 1 54 . LYS . 7300 1 55 . MET . 7300 1 56 . ARG . 7300 1 57 . GLY . 7300 1 58 . ILE . 7300 1 59 . LEU . 7300 1 60 . LYS . 7300 1 61 . SER . 7300 1 62 . ILE . 7300 1 63 . ALA . 7300 1 64 . SER . 7300 1 65 . ALA . 7300 1 66 . ASP . 7300 1 67 . MET . 7300 1 68 . ASP . 7300 1 69 . PHE . 7300 1 70 . ASN . 7300 1 71 . GLN . 7300 1 72 . LEU . 7300 1 73 . GLU . 7300 1 74 . ALA . 7300 1 75 . PHE . 7300 1 76 . LEU . 7300 1 77 . THR . 7300 1 78 . ALA . 7300 1 79 . GLN . 7300 1 80 . THR . 7300 1 81 . LYS . 7300 1 82 . LYS . 7300 1 83 . GLN . 7300 1 84 . GLY . 7300 1 85 . GLY . 7300 1 86 . ILE . 7300 1 87 . THR . 7300 1 88 . SER . 7300 1 89 . ASP . 7300 1 90 . GLN . 7300 1 91 . ALA . 7300 1 92 . ALA . 7300 1 93 . VAL . 7300 1 94 . ILE . 7300 1 95 . SER . 7300 1 96 . LYS . 7300 1 97 . PHE . 7300 1 98 . TRP . 7300 1 99 . LYS . 7300 1 100 . SER . 7300 1 101 . HIS . 7300 1 102 . LYS . 7300 1 103 . THR . 7300 1 104 . LYS . 7300 1 105 . ILE . 7300 1 106 . ARG . 7300 1 107 . GLU . 7300 1 108 . SER . 7300 1 109 . LEU . 7300 1 110 . MET . 7300 1 111 . ASN . 7300 1 112 . GLN . 7300 1 113 . SER . 7300 1 114 . ARG . 7300 1 115 . TRP . 7300 1 116 . ASN . 7300 1 117 . SER . 7300 1 118 . GLY . 7300 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 . MET 1 1 7300 1 . ALA 2 2 7300 1 . ALA 3 3 7300 1 . GLY 4 4 7300 1 . GLU 5 5 7300 1 . LEU 6 6 7300 1 . GLU 7 7 7300 1 . GLY 8 8 7300 1 . GLY 9 9 7300 1 . LYS 10 10 7300 1 . PRO 11 11 7300 1 . LEU 12 12 7300 1 . SER 13 13 7300 1 . GLY 14 14 7300 1 . LEU 15 15 7300 1 . LEU 16 16 7300 1 . ASN 17 17 7300 1 . ALA 18 18 7300 1 . LEU 19 19 7300 1 . ALA 20 20 7300 1 . GLN 21 21 7300 1 . ASP 22 22 7300 1 . THR 23 23 7300 1 . PHE 24 24 7300 1 . HIS 25 25 7300 1 . GLY 26 26 7300 1 . TYR 27 27 7300 1 . PRO 28 28 7300 1 . GLY 29 29 7300 1 . ILE 30 30 7300 1 . THR 31 31 7300 1 . GLU 32 32 7300 1 . GLU 33 33 7300 1 . LEU 34 34 7300 1 . LEU 35 35 7300 1 . ARG 36 36 7300 1 . SER 37 37 7300 1 . GLN 38 38 7300 1 . LEU 39 39 7300 1 . TYR 40 40 7300 1 . PRO 41 41 7300 1 . GLU 42 42 7300 1 . VAL 43 43 7300 1 . PRO 44 44 7300 1 . PRO 45 45 7300 1 . GLU 46 46 7300 1 . GLU 47 47 7300 1 . PHE 48 48 7300 1 . ARG 49 49 7300 1 . PRO 50 50 7300 1 . PHE 51 51 7300 1 . LEU 52 52 7300 1 . ALA 53 53 7300 1 . LYS 54 54 7300 1 . MET 55 55 7300 1 . ARG 56 56 7300 1 . GLY 57 57 7300 1 . ILE 58 58 7300 1 . LEU 59 59 7300 1 . LYS 60 60 7300 1 . SER 61 61 7300 1 . ILE 62 62 7300 1 . ALA 63 63 7300 1 . SER 64 64 7300 1 . ALA 65 65 7300 1 . ASP 66 66 7300 1 . MET 67 67 7300 1 . ASP 68 68 7300 1 . PHE 69 69 7300 1 . ASN 70 70 7300 1 . GLN 71 71 7300 1 . LEU 72 72 7300 1 . GLU 73 73 7300 1 . ALA 74 74 7300 1 . PHE 75 75 7300 1 . LEU 76 76 7300 1 . THR 77 77 7300 1 . ALA 78 78 7300 1 . GLN 79 79 7300 1 . THR 80 80 7300 1 . LYS 81 81 7300 1 . LYS 82 82 7300 1 . GLN 83 83 7300 1 . GLY 84 84 7300 1 . GLY 85 85 7300 1 . ILE 86 86 7300 1 . THR 87 87 7300 1 . SER 88 88 7300 1 . ASP 89 89 7300 1 . GLN 90 90 7300 1 . ALA 91 91 7300 1 . ALA 92 92 7300 1 . VAL 93 93 7300 1 . ILE 94 94 7300 1 . SER 95 95 7300 1 . LYS 96 96 7300 1 . PHE 97 97 7300 1 . TRP 98 98 7300 1 . LYS 99 99 7300 1 . SER 100 100 7300 1 . HIS 101 101 7300 1 . LYS 102 102 7300 1 . THR 103 103 7300 1 . LYS 104 104 7300 1 . ILE 105 105 7300 1 . ARG 106 106 7300 1 . GLU 107 107 7300 1 . SER 108 108 7300 1 . LEU 109 109 7300 1 . MET 110 110 7300 1 . ASN 111 111 7300 1 . GLN 112 112 7300 1 . SER 113 113 7300 1 . ARG 114 114 7300 1 . TRP 115 115 7300 1 . ASN 116 116 7300 1 . SER 117 117 7300 1 . GLY 118 118 7300 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 7300 _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 $COMMD1 . 9606 . . . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7300 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 7300 _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 $COMMD1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7300 _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 COMMD1 '[U-13C; U-15N]' . . 1 $COMMD1 . . 1 . . mM . . . . 7300 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7300 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 0.2 pH 7300 1 temperature 298 . K 7300 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7300 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '(3D) HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 2 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 3 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 5 HC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 6 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 7 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 8 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 9 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 10 '3D 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 11 '13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7300 1 stop_ save_ save_(3D)_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (3D)_HNCACB _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '(3D) HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HC(CO)NH _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_(HB)CB(CGCD)HD _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_(HB)CB(CGCD)HD _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D (HB)CB(CGCD)HD' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(HB)CB(CGCDCE)HE _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCDCE)HE _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-edited_NOESY _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-edited_NOESY _NMR_spec_expt.Entry_ID 7300 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7300 _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 . . . . . . . . . 7300 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7300 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7300 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7300 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 1 1 MET HA H 1 4.13 0.02 . 1 . . . . 1 MET HA . 7300 1 2 . 1 1 1 1 MET HB2 H 1 2.19 0.01 . 2 . . . . 1 MET HB2 . 7300 1 3 . 1 1 1 1 MET HG2 H 1 2.64 0.01 . 1 . . . . 1 MET HG2 . 7300 1 4 . 1 1 1 1 MET HG3 H 1 2.64 0.01 . 1 . . . . 1 MET HG3 . 7300 1 5 . 1 1 1 1 MET C C 13 177.81 0.05 . 1 . . . . 1 MET C . 7300 1 6 . 1 1 1 1 MET CA C 13 53.18 0.17 . 1 . . . . 1 MET CA . 7300 1 7 . 1 1 1 1 MET CB C 13 31.20 0.17 . 1 . . . . 1 MET CB . 7300 1 8 . 1 1 1 1 MET CG C 13 29.01 0.04 . 1 . . . . 1 MET CG . 7300 1 9 . 1 1 2 2 ALA H H 1 10.74 0.01 . 1 . . . . 2 ALA H . 7300 1 10 . 1 1 2 2 ALA HA H 1 4.44 0.01 . 1 . . . . 2 ALA HA . 7300 1 11 . 1 1 2 2 ALA HB1 H 1 1.45 0.01 . 1 . . . . 2 ALA HB . 7300 1 12 . 1 1 2 2 ALA HB2 H 1 1.45 0.01 . 1 . . . . 2 ALA HB . 7300 1 13 . 1 1 2 2 ALA HB3 H 1 1.45 0.01 . 1 . . . . 2 ALA HB . 7300 1 14 . 1 1 2 2 ALA C C 13 173.08 0.05 . 1 . . . . 2 ALA C . 7300 1 15 . 1 1 2 2 ALA CA C 13 50.28 0.06 . 1 . . . . 2 ALA CA . 7300 1 16 . 1 1 2 2 ALA CB C 13 17.54 0.09 . 1 . . . . 2 ALA CB . 7300 1 17 . 1 1 2 2 ALA N N 15 127.54 0.04 . 1 . . . . 2 ALA N . 7300 1 18 . 1 1 3 3 ALA H H 1 10.73 0.01 . 1 . . . . 3 ALA H . 7300 1 19 . 1 1 3 3 ALA HA H 1 4.30 0.01 . 1 . . . . 3 ALA HA . 7300 1 20 . 1 1 3 3 ALA HB1 H 1 1.44 0.01 . 1 . . . . 3 ALA HB . 7300 1 21 . 1 1 3 3 ALA HB2 H 1 1.44 0.01 . 1 . . . . 3 ALA HB . 7300 1 22 . 1 1 3 3 ALA HB3 H 1 1.44 0.01 . 1 . . . . 3 ALA HB . 7300 1 23 . 1 1 3 3 ALA C C 13 171.66 0.05 . 1 . . . . 3 ALA C . 7300 1 24 . 1 1 3 3 ALA CA C 13 51.12 0.07 . 1 . . . . 3 ALA CA . 7300 1 25 . 1 1 3 3 ALA CB C 13 17.08 0.10 . 1 . . . . 3 ALA CB . 7300 1 26 . 1 1 3 3 ALA N N 15 124.20 0.01 . 1 . . . . 3 ALA N . 7300 1 27 . 1 1 4 4 GLY H H 1 8.52 0.01 . 1 . . . . 4 GLY H . 7300 1 28 . 1 1 4 4 GLY HA2 H 1 3.98 0.01 . 1 . . . . 4 GLY HA2 . 7300 1 29 . 1 1 4 4 GLY HA3 H 1 3.98 0.01 . 1 . . . . 4 GLY HA3 . 7300 1 30 . 1 1 4 4 GLY C C 13 175.52 0.05 . 1 . . . . 4 GLY C . 7300 1 31 . 1 1 4 4 GLY CA C 13 43.65 0.06 . 1 . . . . 4 GLY CA . 7300 1 32 . 1 1 4 4 GLY N N 15 108.37 0.02 . 1 . . . . 4 GLY N . 7300 1 33 . 1 1 5 5 GLU H H 1 8.26 0.01 . 1 . . . . 5 GLU H . 7300 1 34 . 1 1 5 5 GLU HA H 1 4.29 0.01 . 1 . . . . 5 GLU HA . 7300 1 35 . 1 1 5 5 GLU HB2 H 1 2.13 0.01 . 2 . . . . 5 GLU HB2 . 7300 1 36 . 1 1 5 5 GLU HB3 H 1 2.00 0.01 . 2 . . . . 5 GLU HB3 . 7300 1 37 . 1 1 5 5 GLU HG2 H 1 2.31 0.01 . 1 . . . . 5 GLU HG2 . 7300 1 38 . 1 1 5 5 GLU HG3 H 1 2.31 0.01 . 1 . . . . 5 GLU HG3 . 7300 1 39 . 1 1 5 5 GLU C C 13 173.23 0.05 . 1 . . . . 5 GLU C . 7300 1 40 . 1 1 5 5 GLU CA C 13 55.10 0.08 . 1 . . . . 5 GLU CA . 7300 1 41 . 1 1 5 5 GLU CB C 13 28.41 0.08 . 1 . . . . 5 GLU CB . 7300 1 42 . 1 1 5 5 GLU CG C 13 34.44 0.07 . 1 . . . . 5 GLU CG . 7300 1 43 . 1 1 5 5 GLU N N 15 120.53 0.03 . 1 . . . . 5 GLU N . 7300 1 44 . 1 1 6 6 LEU H H 1 8.26 0.01 . 1 . . . . 6 LEU H . 7300 1 45 . 1 1 6 6 LEU HA H 1 4.33 0.01 . 1 . . . . 6 LEU HA . 7300 1 46 . 1 1 6 6 LEU HB2 H 1 1.60 0.01 . 2 . . . . 6 LEU HB2 . 7300 1 47 . 1 1 6 6 LEU HB3 H 1 1.46 0.01 . 2 . . . . 6 LEU HB3 . 7300 1 48 . 1 1 6 6 LEU HG H 1 1.58 0.01 . 1 . . . . 6 LEU HG . 7300 1 49 . 1 1 6 6 LEU HD11 H 1 0.82 0.01 . 1 . . . . 6 LEU HD1 . 7300 1 50 . 1 1 6 6 LEU HD12 H 1 0.82 0.01 . 1 . . . . 6 LEU HD1 . 7300 1 51 . 1 1 6 6 LEU HD13 H 1 0.82 0.01 . 1 . . . . 6 LEU HD1 . 7300 1 52 . 1 1 6 6 LEU HD21 H 1 0.70 0.01 . 1 . . . . 6 LEU HD2 . 7300 1 53 . 1 1 6 6 LEU HD22 H 1 0.70 0.01 . 1 . . . . 6 LEU HD2 . 7300 1 54 . 1 1 6 6 LEU HD23 H 1 0.70 0.01 . 1 . . . . 6 LEU HD2 . 7300 1 55 . 1 1 6 6 LEU C C 13 172.45 0.05 . 1 . . . . 6 LEU C . 7300 1 56 . 1 1 6 6 LEU CA C 13 53.40 0.06 . 1 . . . . 6 LEU CA . 7300 1 57 . 1 1 6 6 LEU CB C 13 40.05 0.08 . 1 . . . . 6 LEU CB . 7300 1 58 . 1 1 6 6 LEU CG C 13 25.07 0.06 . 1 . . . . 6 LEU CG . 7300 1 59 . 1 1 6 6 LEU CD1 C 13 23.15 0.03 . 2 . . . . 6 LEU CD1 . 7300 1 60 . 1 1 6 6 LEU CD2 C 13 21.52 0.02 . 2 . . . . 6 LEU CD2 . 7300 1 61 . 1 1 6 6 LEU N N 15 121.63 0.01 . 1 . . . . 6 LEU N . 7300 1 62 . 1 1 7 7 GLU H H 1 8.45 0.01 . 1 . . . . 7 GLU H . 7300 1 63 . 1 1 7 7 GLU HA H 1 4.28 0.01 . 1 . . . . 7 GLU HA . 7300 1 64 . 1 1 7 7 GLU HB2 H 1 2.15 0.01 . 2 . . . . 7 GLU HB2 . 7300 1 65 . 1 1 7 7 GLU HB3 H 1 2.00 0.01 . 2 . . . . 7 GLU HB3 . 7300 1 66 . 1 1 7 7 GLU HG2 H 1 2.33 0.01 . 1 . . . . 7 GLU HG2 . 7300 1 67 . 1 1 7 7 GLU HG3 H 1 2.33 0.01 . 1 . . . . 7 GLU HG3 . 7300 1 68 . 1 1 7 7 GLU C C 13 172.84 0.05 . 1 . . . . 7 GLU C . 7300 1 69 . 1 1 7 7 GLU CA C 13 55.29 0.05 . 1 . . . . 7 GLU CA . 7300 1 70 . 1 1 7 7 GLU CB C 13 28.19 0.07 . 1 . . . . 7 GLU CB . 7300 1 71 . 1 1 7 7 GLU CG C 13 34.42 0.03 . 1 . . . . 7 GLU CG . 7300 1 72 . 1 1 7 7 GLU N N 15 121.52 0.02 . 1 . . . . 7 GLU N . 7300 1 73 . 1 1 8 8 GLY H H 1 8.47 0.01 . 1 . . . . 8 GLY H . 7300 1 74 . 1 1 8 8 GLY HA2 H 1 3.97 0.01 . 2 . . . . 8 GLY HA2 . 7300 1 75 . 1 1 8 8 GLY HA3 H 1 4.10 0.01 . 2 . . . . 8 GLY HA3 . 7300 1 76 . 1 1 8 8 GLY C C 13 174.93 0.05 . 1 . . . . 8 GLY C . 7300 1 77 . 1 1 8 8 GLY CA C 13 43.79 0.11 . 1 . . . . 8 GLY CA . 7300 1 78 . 1 1 8 8 GLY N N 15 109.64 0.02 . 1 . . . . 8 GLY N . 7300 1 79 . 1 1 9 9 GLY H H 1 8.53 0.01 . 1 . . . . 9 GLY H . 7300 1 80 . 1 1 9 9 GLY HA2 H 1 4.05 0.01 . 1 . . . . 9 GLY HA2 . 7300 1 81 . 1 1 9 9 GLY HA3 H 1 4.05 0.01 . 1 . . . . 9 GLY HA3 . 7300 1 82 . 1 1 9 9 GLY C C 13 175.55 0.05 . 1 . . . . 9 GLY C . 7300 1 83 . 1 1 9 9 GLY CA C 13 44.44 0.04 . 1 . . . . 9 GLY CA . 7300 1 84 . 1 1 9 9 GLY N N 15 110.30 0.01 . 1 . . . . 9 GLY N . 7300 1 85 . 1 1 10 10 LYS H H 1 8.49 0.01 . 1 . . . . 10 LYS H . 7300 1 86 . 1 1 10 10 LYS HA H 1 4.49 0.01 . 1 . . . . 10 LYS HA . 7300 1 87 . 1 1 10 10 LYS HB2 H 1 2.01 0.01 . 1 . . . . 10 LYS HB2 . 7300 1 88 . 1 1 10 10 LYS HB3 H 1 2.01 0.01 . 1 . . . . 10 LYS HB3 . 7300 1 89 . 1 1 10 10 LYS HG2 H 1 1.65 0.01 . 2 . . . . 10 LYS HG2 . 7300 1 90 . 1 1 10 10 LYS HG3 H 1 1.51 0.01 . 2 . . . . 10 LYS HG3 . 7300 1 91 . 1 1 10 10 LYS HD2 H 1 1.78 0.01 . 1 . . . . 10 LYS HD2 . 7300 1 92 . 1 1 10 10 LYS HD3 H 1 1.78 0.01 . 1 . . . . 10 LYS HD3 . 7300 1 93 . 1 1 10 10 LYS HE2 H 1 3.06 0.01 . 1 . . . . 10 LYS HE2 . 7300 1 94 . 1 1 10 10 LYS HE3 H 1 3.06 0.01 . 1 . . . . 10 LYS HE3 . 7300 1 95 . 1 1 10 10 LYS CA C 13 56.78 0.05 . 1 . . . . 10 LYS CA . 7300 1 96 . 1 1 10 10 LYS CB C 13 28.63 0.06 . 1 . . . . 10 LYS CB . 7300 1 97 . 1 1 10 10 LYS CG C 13 23.42 0.03 . 1 . . . . 10 LYS CG . 7300 1 98 . 1 1 10 10 LYS CD C 13 27.30 0.07 . 1 . . . . 10 LYS CD . 7300 1 99 . 1 1 10 10 LYS CE C 13 40.24 0.06 . 1 . . . . 10 LYS CE . 7300 1 100 . 1 1 10 10 LYS N N 15 121.78 0.01 . 1 . . . . 10 LYS N . 7300 1 101 . 1 1 11 11 PRO HA H 1 4.32 0.01 . 1 . . . . 11 PRO HA . 7300 1 102 . 1 1 11 11 PRO HB2 H 1 1.91 0.01 . 2 . . . . 11 PRO HB2 . 7300 1 103 . 1 1 11 11 PRO HB3 H 1 1.60 0.01 . 2 . . . . 11 PRO HB3 . 7300 1 104 . 1 1 11 11 PRO HG2 H 1 2.06 0.01 . 2 . . . . 11 PRO HG2 . 7300 1 105 . 1 1 11 11 PRO HG3 H 1 1.93 0.01 . 2 . . . . 11 PRO HG3 . 7300 1 106 . 1 1 11 11 PRO HD2 H 1 3.83 0.01 . 2 . . . . 11 PRO HD2 . 7300 1 107 . 1 1 11 11 PRO HD3 H 1 3.78 0.01 . 2 . . . . 11 PRO HD3 . 7300 1 108 . 1 1 11 11 PRO C C 13 172.46 0.05 . 1 . . . . 11 PRO C . 7300 1 109 . 1 1 11 11 PRO CA C 13 64.12 0.04 . 1 . . . . 11 PRO CA . 7300 1 110 . 1 1 11 11 PRO CB C 13 28.69 0.07 . 1 . . . . 11 PRO CB . 7300 1 111 . 1 1 11 11 PRO CG C 13 26.08 0.06 . 1 . . . . 11 PRO CG . 7300 1 112 . 1 1 11 11 PRO CD C 13 48.49 0.02 . 1 . . . . 11 PRO CD . 7300 1 113 . 1 1 12 12 LEU H H 1 7.53 0.01 . 1 . . . . 12 LEU H . 7300 1 114 . 1 1 12 12 LEU HA H 1 4.64 0.01 . 1 . . . . 12 LEU HA . 7300 1 115 . 1 1 12 12 LEU HB2 H 1 1.99 0.01 . 1 . . . . 12 LEU HB2 . 7300 1 116 . 1 1 12 12 LEU HB3 H 1 1.99 0.01 . 1 . . . . 12 LEU HB3 . 7300 1 117 . 1 1 12 12 LEU HG H 1 1.66 0.01 . 1 . . . . 12 LEU HG . 7300 1 118 . 1 1 12 12 LEU HD11 H 1 1.27 0.01 . 1 . . . . 12 LEU HD1 . 7300 1 119 . 1 1 12 12 LEU HD12 H 1 1.27 0.01 . 1 . . . . 12 LEU HD1 . 7300 1 120 . 1 1 12 12 LEU HD13 H 1 1.27 0.01 . 1 . . . . 12 LEU HD1 . 7300 1 121 . 1 1 12 12 LEU HD21 H 1 1.14 0.01 . 1 . . . . 12 LEU HD2 . 7300 1 122 . 1 1 12 12 LEU HD22 H 1 1.14 0.01 . 1 . . . . 12 LEU HD2 . 7300 1 123 . 1 1 12 12 LEU HD23 H 1 1.14 0.01 . 1 . . . . 12 LEU HD2 . 7300 1 124 . 1 1 12 12 LEU C C 13 171.33 0.05 . 1 . . . . 12 LEU C . 7300 1 125 . 1 1 12 12 LEU CA C 13 55.61 0.08 . 1 . . . . 12 LEU CA . 7300 1 126 . 1 1 12 12 LEU CB C 13 39.09 0.04 . 1 . . . . 12 LEU CB . 7300 1 127 . 1 1 12 12 LEU CG C 13 25.59 0.10 . 1 . . . . 12 LEU CG . 7300 1 128 . 1 1 12 12 LEU CD1 C 13 21.00 0.04 . 2 . . . . 12 LEU CD1 . 7300 1 129 . 1 1 12 12 LEU CD2 C 13 24.57 0.04 . 2 . . . . 12 LEU CD2 . 7300 1 130 . 1 1 12 12 LEU N N 15 117.76 0.02 . 1 . . . . 12 LEU N . 7300 1 131 . 1 1 13 13 SER H H 1 8.23 0.01 . 1 . . . . 13 SER H . 7300 1 132 . 1 1 13 13 SER HA H 1 4.11 0.01 . 1 . . . . 13 SER HA . 7300 1 133 . 1 1 13 13 SER HB2 H 1 4.00 0.02 . 1 . . . . 13 SER HB2 . 7300 1 134 . 1 1 13 13 SER HB3 H 1 4.00 0.02 . 1 . . . . 13 SER HB3 . 7300 1 135 . 1 1 13 13 SER C C 13 172.84 0.05 . 1 . . . . 13 SER C . 7300 1 136 . 1 1 13 13 SER CA C 13 60.67 0.10 . 1 . . . . 13 SER CA . 7300 1 137 . 1 1 13 13 SER CB C 13 60.61 0.17 . 1 . . . . 13 SER CB . 7300 1 138 . 1 1 13 13 SER N N 15 114.85 0.02 . 1 . . . . 13 SER N . 7300 1 139 . 1 1 14 14 GLY H H 1 8.11 0.01 . 1 . . . . 14 GLY H . 7300 1 140 . 1 1 14 14 GLY HA2 H 1 3.99 0.01 . 2 . . . . 14 GLY HA2 . 7300 1 141 . 1 1 14 14 GLY HA3 H 1 3.86 0.01 . 2 . . . . 14 GLY HA3 . 7300 1 142 . 1 1 14 14 GLY C C 13 173.68 0.05 . 1 . . . . 14 GLY C . 7300 1 143 . 1 1 14 14 GLY CA C 13 45.19 0.10 . 1 . . . . 14 GLY CA . 7300 1 144 . 1 1 14 14 GLY N N 15 109.34 0.02 . 1 . . . . 14 GLY N . 7300 1 145 . 1 1 15 15 LEU H H 1 8.73 0.01 . 1 . . . . 15 LEU H . 7300 1 146 . 1 1 15 15 LEU HA H 1 4.07 0.01 . 1 . . . . 15 LEU HA . 7300 1 147 . 1 1 15 15 LEU HB2 H 1 2.48 0.01 . 2 . . . . 15 LEU HB2 . 7300 1 148 . 1 1 15 15 LEU HB3 H 1 2.01 0.01 . 2 . . . . 15 LEU HB3 . 7300 1 149 . 1 1 15 15 LEU HG H 1 1.60 0.01 . 1 . . . . 15 LEU HG . 7300 1 150 . 1 1 15 15 LEU HD11 H 1 1.19 0.01 . 1 . . . . 15 LEU HD1 . 7300 1 151 . 1 1 15 15 LEU HD12 H 1 1.19 0.01 . 1 . . . . 15 LEU HD1 . 7300 1 152 . 1 1 15 15 LEU HD13 H 1 1.19 0.01 . 1 . . . . 15 LEU HD1 . 7300 1 153 . 1 1 15 15 LEU HD21 H 1 0.93 0.01 . 1 . . . . 15 LEU HD2 . 7300 1 154 . 1 1 15 15 LEU HD22 H 1 0.93 0.01 . 1 . . . . 15 LEU HD2 . 7300 1 155 . 1 1 15 15 LEU HD23 H 1 0.93 0.01 . 1 . . . . 15 LEU HD2 . 7300 1 156 . 1 1 15 15 LEU C C 13 172.20 0.05 . 1 . . . . 15 LEU C . 7300 1 157 . 1 1 15 15 LEU CA C 13 56.47 0.05 . 1 . . . . 15 LEU CA . 7300 1 158 . 1 1 15 15 LEU CB C 13 40.26 0.04 . 1 . . . . 15 LEU CB . 7300 1 159 . 1 1 15 15 LEU CG C 13 25.16 0.05 . 1 . . . . 15 LEU CG . 7300 1 160 . 1 1 15 15 LEU CD1 C 13 23.61 0.04 . 2 . . . . 15 LEU CD1 . 7300 1 161 . 1 1 15 15 LEU CD2 C 13 24.25 0.03 . 2 . . . . 15 LEU CD2 . 7300 1 162 . 1 1 15 15 LEU N N 15 126.14 0.01 . 1 . . . . 15 LEU N . 7300 1 163 . 1 1 16 16 LEU H H 1 8.61 0.01 . 1 . . . . 16 LEU H . 7300 1 164 . 1 1 16 16 LEU HA H 1 3.57 0.01 . 1 . . . . 16 LEU HA . 7300 1 165 . 1 1 16 16 LEU HB2 H 1 0.01 0.01 . 2 . . . . 16 LEU HB2 . 7300 1 166 . 1 1 16 16 LEU HB3 H 1 1.25 0.01 . 2 . . . . 16 LEU HB3 . 7300 1 167 . 1 1 16 16 LEU HG H 1 1.87 0.01 . 1 . . . . 16 LEU HG . 7300 1 168 . 1 1 16 16 LEU HD11 H 1 0.55 0.01 . 1 . . . . 16 LEU HD1 . 7300 1 169 . 1 1 16 16 LEU HD12 H 1 0.55 0.01 . 1 . . . . 16 LEU HD1 . 7300 1 170 . 1 1 16 16 LEU HD13 H 1 0.55 0.01 . 1 . . . . 16 LEU HD1 . 7300 1 171 . 1 1 16 16 LEU HD21 H 1 0.64 0.01 . 1 . . . . 16 LEU HD2 . 7300 1 172 . 1 1 16 16 LEU HD22 H 1 0.64 0.01 . 1 . . . . 16 LEU HD2 . 7300 1 173 . 1 1 16 16 LEU HD23 H 1 0.64 0.01 . 1 . . . . 16 LEU HD2 . 7300 1 174 . 1 1 16 16 LEU C C 13 172.21 0.05 . 1 . . . . 16 LEU C . 7300 1 175 . 1 1 16 16 LEU CA C 13 56.05 0.08 . 1 . . . . 16 LEU CA . 7300 1 176 . 1 1 16 16 LEU CB C 13 37.45 0.05 . 1 . . . . 16 LEU CB . 7300 1 177 . 1 1 16 16 LEU CG C 13 24.24 0.07 . 1 . . . . 16 LEU CG . 7300 1 178 . 1 1 16 16 LEU CD1 C 13 19.52 0.04 . 2 . . . . 16 LEU CD1 . 7300 1 179 . 1 1 16 16 LEU CD2 C 13 25.88 0.03 . 2 . . . . 16 LEU CD2 . 7300 1 180 . 1 1 16 16 LEU N N 15 118.14 0.01 . 1 . . . . 16 LEU N . 7300 1 181 . 1 1 17 17 ASN H H 1 7.83 0.01 . 1 . . . . 17 ASN H . 7300 1 182 . 1 1 17 17 ASN HA H 1 4.49 0.01 . 1 . . . . 17 ASN HA . 7300 1 183 . 1 1 17 17 ASN HB2 H 1 2.90 0.01 . 2 . . . . 17 ASN HB2 . 7300 1 184 . 1 1 17 17 ASN HB3 H 1 3.01 0.01 . 2 . . . . 17 ASN HB3 . 7300 1 185 . 1 1 17 17 ASN HD21 H 1 7.15 0.01 . 2 . . . . 17 ASN HD21 . 7300 1 186 . 1 1 17 17 ASN HD22 H 1 7.73 0.01 . 2 . . . . 17 ASN HD22 . 7300 1 187 . 1 1 17 17 ASN C C 13 172.69 0.05 . 1 . . . . 17 ASN C . 7300 1 188 . 1 1 17 17 ASN CA C 13 55.12 0.08 . 1 . . . . 17 ASN CA . 7300 1 189 . 1 1 17 17 ASN CB C 13 37.30 0.08 . 1 . . . . 17 ASN CB . 7300 1 190 . 1 1 17 17 ASN N N 15 115.17 0.02 . 1 . . . . 17 ASN N . 7300 1 191 . 1 1 17 17 ASN ND2 N 15 113.92 0.03 . 1 . . . . 17 ASN ND2 . 7300 1 192 . 1 1 18 18 ALA H H 1 7.84 0.01 . 1 . . . . 18 ALA H . 7300 1 193 . 1 1 18 18 ALA HA H 1 4.32 0.01 . 1 . . . . 18 ALA HA . 7300 1 194 . 1 1 18 18 ALA HB1 H 1 1.59 0.01 . 1 . . . . 18 ALA HB . 7300 1 195 . 1 1 18 18 ALA HB2 H 1 1.59 0.01 . 1 . . . . 18 ALA HB . 7300 1 196 . 1 1 18 18 ALA HB3 H 1 1.59 0.01 . 1 . . . . 18 ALA HB . 7300 1 197 . 1 1 18 18 ALA C C 13 169.66 0.05 . 1 . . . . 18 ALA C . 7300 1 198 . 1 1 18 18 ALA CA C 13 53.21 0.07 . 1 . . . . 18 ALA CA . 7300 1 199 . 1 1 18 18 ALA CB C 13 16.89 0.04 . 1 . . . . 18 ALA CB . 7300 1 200 . 1 1 18 18 ALA N N 15 121.47 0.03 . 1 . . . . 18 ALA N . 7300 1 201 . 1 1 19 19 LEU H H 1 8.47 0.01 . 1 . . . . 19 LEU H . 7300 1 202 . 1 1 19 19 LEU HA H 1 4.11 0.01 . 1 . . . . 19 LEU HA . 7300 1 203 . 1 1 19 19 LEU HB2 H 1 1.85 0.01 . 2 . . . . 19 LEU HB2 . 7300 1 204 . 1 1 19 19 LEU HB3 H 1 1.32 0.01 . 2 . . . . 19 LEU HB3 . 7300 1 205 . 1 1 19 19 LEU HG H 1 1.93 0.01 . 1 . . . . 19 LEU HG . 7300 1 206 . 1 1 19 19 LEU HD11 H 1 0.78 0.01 . 1 . . . . 19 LEU HD1 . 7300 1 207 . 1 1 19 19 LEU HD12 H 1 0.78 0.01 . 1 . . . . 19 LEU HD1 . 7300 1 208 . 1 1 19 19 LEU HD13 H 1 0.78 0.01 . 1 . . . . 19 LEU HD1 . 7300 1 209 . 1 1 19 19 LEU HD21 H 1 0.60 0.01 . 1 . . . . 19 LEU HD2 . 7300 1 210 . 1 1 19 19 LEU HD22 H 1 0.60 0.01 . 1 . . . . 19 LEU HD2 . 7300 1 211 . 1 1 19 19 LEU HD23 H 1 0.60 0.01 . 1 . . . . 19 LEU HD2 . 7300 1 212 . 1 1 19 19 LEU CA C 13 54.83 0.04 . 1 . . . . 19 LEU CA . 7300 1 213 . 1 1 19 19 LEU CB C 13 40.45 0.05 . 1 . . . . 19 LEU CB . 7300 1 214 . 1 1 19 19 LEU CG C 13 24.34 0.03 . 1 . . . . 19 LEU CG . 7300 1 215 . 1 1 19 19 LEU CD1 C 13 20.29 0.03 . 2 . . . . 19 LEU CD1 . 7300 1 216 . 1 1 19 19 LEU CD2 C 13 23.41 0.03 . 2 . . . . 19 LEU CD2 . 7300 1 217 . 1 1 19 19 LEU N N 15 117.42 0.05 . 1 . . . . 19 LEU N . 7300 1 218 . 1 1 20 20 ALA HA H 1 4.04 0.01 . 1 . . . . 20 ALA HA . 7300 1 219 . 1 1 20 20 ALA HB1 H 1 1.69 0.01 . 1 . . . . 20 ALA HB . 7300 1 220 . 1 1 20 20 ALA HB2 H 1 1.69 0.01 . 1 . . . . 20 ALA HB . 7300 1 221 . 1 1 20 20 ALA HB3 H 1 1.69 0.01 . 1 . . . . 20 ALA HB . 7300 1 222 . 1 1 20 20 ALA C C 13 171.63 0.05 . 1 . . . . 20 ALA C . 7300 1 223 . 1 1 20 20 ALA CA C 13 52.40 0.08 . 1 . . . . 20 ALA CA . 7300 1 224 . 1 1 20 20 ALA CB C 13 16.76 0.05 . 1 . . . . 20 ALA CB . 7300 1 225 . 1 1 21 21 GLN H H 1 7.84 0.01 . 1 . . . . 21 GLN H . 7300 1 226 . 1 1 21 21 GLN HA H 1 4.32 0.01 . 1 . . . . 21 GLN HA . 7300 1 227 . 1 1 21 21 GLN HB2 H 1 2.33 0.01 . 1 . . . . 21 GLN HB2 . 7300 1 228 . 1 1 21 21 GLN HB3 H 1 2.33 0.01 . 1 . . . . 21 GLN HB3 . 7300 1 229 . 1 1 21 21 GLN HG2 H 1 2.60 0.01 . 1 . . . . 21 GLN HG2 . 7300 1 230 . 1 1 21 21 GLN HG3 H 1 2.60 0.01 . 1 . . . . 21 GLN HG3 . 7300 1 231 . 1 1 21 21 GLN HE21 H 1 6.86 0.01 . 2 . . . . 21 GLN HE21 . 7300 1 232 . 1 1 21 21 GLN HE22 H 1 7.46 0.01 . 2 . . . . 21 GLN HE22 . 7300 1 233 . 1 1 21 21 GLN C C 13 173.20 0.05 . 1 . . . . 21 GLN C . 7300 1 234 . 1 1 21 21 GLN CA C 13 55.46 0.03 . 1 . . . . 21 GLN CA . 7300 1 235 . 1 1 21 21 GLN CB C 13 26.95 0.07 . 1 . . . . 21 GLN CB . 7300 1 236 . 1 1 21 21 GLN CG C 13 32.00 0.10 . 1 . . . . 21 GLN CG . 7300 1 237 . 1 1 21 21 GLN N N 15 116.56 0.02 . 1 . . . . 21 GLN N . 7300 1 238 . 1 1 21 21 GLN NE2 N 15 111.95 0.03 . 1 . . . . 21 GLN NE2 . 7300 1 239 . 1 1 22 22 ASP H H 1 8.02 0.01 . 1 . . . . 22 ASP H . 7300 1 240 . 1 1 22 22 ASP HA H 1 4.54 0.01 . 1 . . . . 22 ASP HA . 7300 1 241 . 1 1 22 22 ASP HB2 H 1 2.76 0.01 . 1 . . . . 22 ASP HB2 . 7300 1 242 . 1 1 22 22 ASP HB3 H 1 2.76 0.01 . 1 . . . . 22 ASP HB3 . 7300 1 243 . 1 1 22 22 ASP C C 13 173.04 0.05 . 1 . . . . 22 ASP C . 7300 1 244 . 1 1 22 22 ASP CA C 13 54.01 0.08 . 1 . . . . 22 ASP CA . 7300 1 245 . 1 1 22 22 ASP CB C 13 39.89 0.07 . 1 . . . . 22 ASP CB . 7300 1 246 . 1 1 22 22 ASP N N 15 119.77 0.03 . 1 . . . . 22 ASP N . 7300 1 247 . 1 1 23 23 THR H H 1 8.04 0.01 . 1 . . . . 23 THR H . 7300 1 248 . 1 1 23 23 THR HA H 1 4.04 0.01 . 1 . . . . 23 THR HA . 7300 1 249 . 1 1 23 23 THR HB H 1 3.92 0.03 . 1 . . . . 23 THR HB . 7300 1 250 . 1 1 23 23 THR HG21 H 1 0.99 0.01 . 1 . . . . 23 THR HG2 . 7300 1 251 . 1 1 23 23 THR HG22 H 1 0.99 0.01 . 1 . . . . 23 THR HG2 . 7300 1 252 . 1 1 23 23 THR HG23 H 1 0.99 0.01 . 1 . . . . 23 THR HG2 . 7300 1 253 . 1 1 23 23 THR C C 13 175.09 0.05 . 1 . . . . 23 THR C . 7300 1 254 . 1 1 23 23 THR CA C 13 62.02 0.08 . 1 . . . . 23 THR CA . 7300 1 255 . 1 1 23 23 THR CB C 13 67.40 0.08 . 1 . . . . 23 THR CB . 7300 1 256 . 1 1 23 23 THR CG2 C 13 19.51 0.06 . 1 . . . . 23 THR CG2 . 7300 1 257 . 1 1 23 23 THR N N 15 113.16 0.01 . 1 . . . . 23 THR N . 7300 1 258 . 1 1 24 24 PHE H H 1 8.12 0.01 . 1 . . . . 24 PHE H . 7300 1 259 . 1 1 24 24 PHE HA H 1 4.65 0.01 . 1 . . . . 24 PHE HA . 7300 1 260 . 1 1 24 24 PHE HB2 H 1 3.14 0.01 . 2 . . . . 24 PHE HB2 . 7300 1 261 . 1 1 24 24 PHE HB3 H 1 2.96 0.01 . 2 . . . . 24 PHE HB3 . 7300 1 262 . 1 1 24 24 PHE C C 13 174.11 0.05 . 1 . . . . 24 PHE C . 7300 1 263 . 1 1 24 24 PHE CA C 13 56.28 0.11 . 1 . . . . 24 PHE CA . 7300 1 264 . 1 1 24 24 PHE CB C 13 36.91 0.07 . 1 . . . . 24 PHE CB . 7300 1 265 . 1 1 24 24 PHE N N 15 119.49 0.04 . 1 . . . . 24 PHE N . 7300 1 266 . 1 1 25 25 HIS H H 1 8.15 0.01 . 1 . . . . 25 HIS H . 7300 1 267 . 1 1 25 25 HIS HA H 1 4.69 0.01 . 1 . . . . 25 HIS HA . 7300 1 268 . 1 1 25 25 HIS HB2 H 1 3.34 0.01 . 2 . . . . 25 HIS HB2 . 7300 1 269 . 1 1 25 25 HIS HB3 H 1 3.19 0.01 . 2 . . . . 25 HIS HB3 . 7300 1 270 . 1 1 25 25 HIS HD2 H 1 7.16 0.04 . 1 . . . . 25 HIS HD2 . 7300 1 271 . 1 1 25 25 HIS C C 13 174.99 0.05 . 1 . . . . 25 HIS C . 7300 1 272 . 1 1 25 25 HIS CA C 13 54.21 0.12 . 1 . . . . 25 HIS CA . 7300 1 273 . 1 1 25 25 HIS CB C 13 27.59 0.21 . 1 . . . . 25 HIS CB . 7300 1 274 . 1 1 25 25 HIS CD2 C 13 118.12 0.05 . 1 . . . . 25 HIS CD2 . 7300 1 275 . 1 1 25 25 HIS N N 15 117.81 0.02 . 1 . . . . 25 HIS N . 7300 1 276 . 1 1 26 26 GLY H H 1 8.22 0.01 . 1 . . . . 26 GLY H . 7300 1 277 . 1 1 26 26 GLY HA2 H 1 4.02 0.01 . 2 . . . . 26 GLY HA2 . 7300 1 278 . 1 1 26 26 GLY HA3 H 1 3.86 0.01 . 2 . . . . 26 GLY HA3 . 7300 1 279 . 1 1 26 26 GLY C C 13 176.52 0.05 . 1 . . . . 26 GLY C . 7300 1 280 . 1 1 26 26 GLY CA C 13 43.51 0.12 . 1 . . . . 26 GLY CA . 7300 1 281 . 1 1 26 26 GLY N N 15 108.74 0.05 . 1 . . . . 26 GLY N . 7300 1 282 . 1 1 27 27 TYR H H 1 8.09 0.01 . 1 . . . . 27 TYR H . 7300 1 283 . 1 1 27 27 TYR HA H 1 4.84 0.01 . 1 . . . . 27 TYR HA . 7300 1 284 . 1 1 27 27 TYR HB2 H 1 3.13 0.01 . 2 . . . . 27 TYR HB2 . 7300 1 285 . 1 1 27 27 TYR HB3 H 1 2.92 0.01 . 2 . . . . 27 TYR HB3 . 7300 1 286 . 1 1 27 27 TYR CA C 13 53.88 0.04 . 1 . . . . 27 TYR CA . 7300 1 287 . 1 1 27 27 TYR CB C 13 36.32 0.07 . 1 . . . . 27 TYR CB . 7300 1 288 . 1 1 27 27 TYR N N 15 121.09 0.02 . 1 . . . . 27 TYR N . 7300 1 289 . 1 1 28 28 PRO HA H 1 4.51 0.01 . 1 . . . . 28 PRO HA . 7300 1 290 . 1 1 28 28 PRO HB2 H 1 2.31 0.01 . 2 . . . . 28 PRO HB2 . 7300 1 291 . 1 1 28 28 PRO HB3 H 1 2.01 0.01 . 2 . . . . 28 PRO HB3 . 7300 1 292 . 1 1 28 28 PRO HG2 H 1 2.05 0.01 . 1 . . . . 28 PRO HG2 . 7300 1 293 . 1 1 28 28 PRO HG3 H 1 2.05 0.01 . 1 . . . . 28 PRO HG3 . 7300 1 294 . 1 1 28 28 PRO HD2 H 1 3.59 0.01 . 2 . . . . 28 PRO HD2 . 7300 1 295 . 1 1 28 28 PRO HD3 H 1 3.83 0.01 . 2 . . . . 28 PRO HD3 . 7300 1 296 . 1 1 28 28 PRO C C 13 172.60 0.05 . 1 . . . . 28 PRO C . 7300 1 297 . 1 1 28 28 PRO CA C 13 61.84 0.03 . 1 . . . . 28 PRO CA . 7300 1 298 . 1 1 28 28 PRO CB C 13 29.98 0.04 . 1 . . . . 28 PRO CB . 7300 1 299 . 1 1 28 28 PRO CG C 13 25.36 0.03 . 1 . . . . 28 PRO CG . 7300 1 300 . 1 1 28 28 PRO CD C 13 48.71 0.03 . 1 . . . . 28 PRO CD . 7300 1 301 . 1 1 29 29 GLY H H 1 8.40 0.01 . 1 . . . . 29 GLY H . 7300 1 302 . 1 1 29 29 GLY HA2 H 1 3.96 0.01 . 1 . . . . 29 GLY HA2 . 7300 1 303 . 1 1 29 29 GLY HA3 H 1 3.96 0.01 . 1 . . . . 29 GLY HA3 . 7300 1 304 . 1 1 29 29 GLY C C 13 175.70 0.05 . 1 . . . . 29 GLY C . 7300 1 305 . 1 1 29 29 GLY CA C 13 43.77 0.01 . 1 . . . . 29 GLY CA . 7300 1 306 . 1 1 29 29 GLY N N 15 108.86 0.02 . 1 . . . . 29 GLY N . 7300 1 307 . 1 1 30 30 ILE H H 1 8.12 0.01 . 1 . . . . 30 ILE H . 7300 1 308 . 1 1 30 30 ILE HA H 1 4.20 0.01 . 1 . . . . 30 ILE HA . 7300 1 309 . 1 1 30 30 ILE HB H 1 1.91 0.01 . 1 . . . . 30 ILE HB . 7300 1 310 . 1 1 30 30 ILE HG12 H 1 1.54 0.01 . 2 . . . . 30 ILE HG12 . 7300 1 311 . 1 1 30 30 ILE HG13 H 1 1.23 0.01 . 2 . . . . 30 ILE HG13 . 7300 1 312 . 1 1 30 30 ILE HG21 H 1 0.92 0.01 . 1 . . . . 30 ILE HG2 . 7300 1 313 . 1 1 30 30 ILE HG22 H 1 0.92 0.01 . 1 . . . . 30 ILE HG2 . 7300 1 314 . 1 1 30 30 ILE HG23 H 1 0.92 0.01 . 1 . . . . 30 ILE HG2 . 7300 1 315 . 1 1 30 30 ILE HD11 H 1 0.86 0.01 . 1 . . . . 30 ILE HD1 . 7300 1 316 . 1 1 30 30 ILE HD12 H 1 0.86 0.01 . 1 . . . . 30 ILE HD1 . 7300 1 317 . 1 1 30 30 ILE HD13 H 1 0.86 0.01 . 1 . . . . 30 ILE HD1 . 7300 1 318 . 1 1 30 30 ILE C C 13 174.22 0.05 . 1 . . . . 30 ILE C . 7300 1 319 . 1 1 30 30 ILE CA C 13 59.53 0.04 . 1 . . . . 30 ILE CA . 7300 1 320 . 1 1 30 30 ILE CB C 13 36.30 0.06 . 1 . . . . 30 ILE CB . 7300 1 321 . 1 1 30 30 ILE CG1 C 13 25.76 0.06 . 1 . . . . 30 ILE CG1 . 7300 1 322 . 1 1 30 30 ILE CG2 C 13 15.82 0.06 . 1 . . . . 30 ILE CG2 . 7300 1 323 . 1 1 30 30 ILE CD1 C 13 11.15 0.05 . 1 . . . . 30 ILE CD1 . 7300 1 324 . 1 1 30 30 ILE N N 15 120.63 0.05 . 1 . . . . 30 ILE N . 7300 1 325 . 1 1 31 31 THR H H 1 7.51 0.01 . 1 . . . . 31 THR H . 7300 1 326 . 1 1 31 31 THR HA H 1 4.38 0.01 . 1 . . . . 31 THR HA . 7300 1 327 . 1 1 31 31 THR HB H 1 4.48 0.01 . 1 . . . . 31 THR HB . 7300 1 328 . 1 1 31 31 THR HG21 H 1 1.29 0.01 . 1 . . . . 31 THR HG2 . 7300 1 329 . 1 1 31 31 THR HG22 H 1 1.29 0.01 . 1 . . . . 31 THR HG2 . 7300 1 330 . 1 1 31 31 THR HG23 H 1 1.29 0.01 . 1 . . . . 31 THR HG2 . 7300 1 331 . 1 1 31 31 THR C C 13 175.41 0.05 . 1 . . . . 31 THR C . 7300 1 332 . 1 1 31 31 THR CA C 13 59.93 0.03 . 1 . . . . 31 THR CA . 7300 1 333 . 1 1 31 31 THR CB C 13 68.69 0.12 . 1 . . . . 31 THR CB . 7300 1 334 . 1 1 31 31 THR CG2 C 13 20.01 0.07 . 1 . . . . 31 THR CG2 . 7300 1 335 . 1 1 31 31 THR N N 15 116.44 0.04 . 1 . . . . 31 THR N . 7300 1 336 . 1 1 32 32 GLU H H 1 8.80 0.01 . 1 . . . . 32 GLU H . 7300 1 337 . 1 1 32 32 GLU HA H 1 3.93 0.01 . 1 . . . . 32 GLU HA . 7300 1 338 . 1 1 32 32 GLU HB2 H 1 2.31 0.01 . 2 . . . . 32 GLU HB2 . 7300 1 339 . 1 1 32 32 GLU HB3 H 1 2.15 0.01 . 2 . . . . 32 GLU HB3 . 7300 1 340 . 1 1 32 32 GLU HG2 H 1 2.48 0.01 . 2 . . . . 32 GLU HG2 . 7300 1 341 . 1 1 32 32 GLU HG3 H 1 2.37 0.01 . 2 . . . . 32 GLU HG3 . 7300 1 342 . 1 1 32 32 GLU C C 13 172.69 0.05 . 1 . . . . 32 GLU C . 7300 1 343 . 1 1 32 32 GLU CA C 13 58.79 0.07 . 1 . . . . 32 GLU CA . 7300 1 344 . 1 1 32 32 GLU CB C 13 28.21 0.09 . 1 . . . . 32 GLU CB . 7300 1 345 . 1 1 32 32 GLU CG C 13 34.71 0.08 . 1 . . . . 32 GLU CG . 7300 1 346 . 1 1 32 32 GLU N N 15 122.35 0.03 . 1 . . . . 32 GLU N . 7300 1 347 . 1 1 33 33 GLU H H 1 8.36 0.01 . 1 . . . . 33 GLU H . 7300 1 348 . 1 1 33 33 GLU HA H 1 4.54 0.01 . 1 . . . . 33 GLU HA . 7300 1 349 . 1 1 33 33 GLU HB2 H 1 2.15 0.01 . 2 . . . . 33 GLU HB2 . 7300 1 350 . 1 1 33 33 GLU HB3 H 1 1.83 0.01 . 2 . . . . 33 GLU HB3 . 7300 1 351 . 1 1 33 33 GLU HG2 H 1 2.48 0.01 . 2 . . . . 33 GLU HG2 . 7300 1 352 . 1 1 33 33 GLU HG3 H 1 2.27 0.01 . 2 . . . . 33 GLU HG3 . 7300 1 353 . 1 1 33 33 GLU C C 13 171.41 0.05 . 1 . . . . 33 GLU C . 7300 1 354 . 1 1 33 33 GLU CA C 13 55.69 0.14 . 1 . . . . 33 GLU CA . 7300 1 355 . 1 1 33 33 GLU CB C 13 26.69 0.08 . 1 . . . . 33 GLU CB . 7300 1 356 . 1 1 33 33 GLU CG C 13 33.11 0.08 . 1 . . . . 33 GLU CG . 7300 1 357 . 1 1 33 33 GLU N N 15 117.22 0.03 . 1 . . . . 33 GLU N . 7300 1 358 . 1 1 34 34 LEU H H 1 7.78 0.01 . 1 . . . . 34 LEU H . 7300 1 359 . 1 1 34 34 LEU HA H 1 4.12 0.01 . 1 . . . . 34 LEU HA . 7300 1 360 . 1 1 34 34 LEU HB2 H 1 1.73 0.01 . 2 . . . . 34 LEU HB2 . 7300 1 361 . 1 1 34 34 LEU HB3 H 1 1.67 0.01 . 2 . . . . 34 LEU HB3 . 7300 1 362 . 1 1 34 34 LEU HG H 1 1.57 0.01 . 1 . . . . 34 LEU HG . 7300 1 363 . 1 1 34 34 LEU C C 13 170.99 0.05 . 1 . . . . 34 LEU C . 7300 1 364 . 1 1 34 34 LEU CA C 13 56.15 0.09 . 1 . . . . 34 LEU CA . 7300 1 365 . 1 1 34 34 LEU CB C 13 39.78 0.13 . 1 . . . . 34 LEU CB . 7300 1 366 . 1 1 34 34 LEU CG C 13 25.21 0.04 . 1 . . . . 34 LEU CG . 7300 1 367 . 1 1 34 34 LEU CD1 C 13 22.60 0.03 . 2 . . . . 34 LEU CD1 . 7300 1 368 . 1 1 34 34 LEU N N 15 122.48 0.02 . 1 . . . . 34 LEU N . 7300 1 369 . 1 1 35 35 LEU H H 1 7.84 0.01 . 1 . . . . 35 LEU H . 7300 1 370 . 1 1 35 35 LEU HA H 1 4.01 0.01 . 1 . . . . 35 LEU HA . 7300 1 371 . 1 1 35 35 LEU HB2 H 1 2.18 0.01 . 2 . . . . 35 LEU HB2 . 7300 1 372 . 1 1 35 35 LEU HB3 H 1 1.48 0.01 . 2 . . . . 35 LEU HB3 . 7300 1 373 . 1 1 35 35 LEU HG H 1 1.90 0.01 . 1 . . . . 35 LEU HG . 7300 1 374 . 1 1 35 35 LEU HD11 H 1 0.83 0.01 . 1 . . . . 35 LEU HD1 . 7300 1 375 . 1 1 35 35 LEU HD12 H 1 0.83 0.01 . 1 . . . . 35 LEU HD1 . 7300 1 376 . 1 1 35 35 LEU HD13 H 1 0.83 0.01 . 1 . . . . 35 LEU HD1 . 7300 1 377 . 1 1 35 35 LEU HD21 H 1 0.90 0.01 . 1 . . . . 35 LEU HD2 . 7300 1 378 . 1 1 35 35 LEU HD22 H 1 0.90 0.01 . 1 . . . . 35 LEU HD2 . 7300 1 379 . 1 1 35 35 LEU HD23 H 1 0.90 0.01 . 1 . . . . 35 LEU HD2 . 7300 1 380 . 1 1 35 35 LEU C C 13 171.57 0.05 . 1 . . . . 35 LEU C . 7300 1 381 . 1 1 35 35 LEU CA C 13 55.87 0.05 . 1 . . . . 35 LEU CA . 7300 1 382 . 1 1 35 35 LEU CB C 13 40.42 0.05 . 1 . . . . 35 LEU CB . 7300 1 383 . 1 1 35 35 LEU CG C 13 24.71 0.06 . 1 . . . . 35 LEU CG . 7300 1 384 . 1 1 35 35 LEU CD1 C 13 21.15 0.03 . 2 . . . . 35 LEU CD1 . 7300 1 385 . 1 1 35 35 LEU CD2 C 13 24.09 0.06 . 2 . . . . 35 LEU CD2 . 7300 1 386 . 1 1 35 35 LEU N N 15 117.89 0.02 . 1 . . . . 35 LEU N . 7300 1 387 . 1 1 36 36 ARG H H 1 8.31 0.01 . 1 . . . . 36 ARG H . 7300 1 388 . 1 1 36 36 ARG HA H 1 2.77 0.01 . 1 . . . . 36 ARG HA . 7300 1 389 . 1 1 36 36 ARG HB2 H 1 1.54 0.01 . 2 . . . . 36 ARG HB2 . 7300 1 390 . 1 1 36 36 ARG HB3 H 1 1.29 0.01 . 2 . . . . 36 ARG HB3 . 7300 1 391 . 1 1 36 36 ARG HG2 H 1 0.35 0.01 . 2 . . . . 36 ARG HG2 . 7300 1 392 . 1 1 36 36 ARG HG3 H 1 1.30 0.01 . 2 . . . . 36 ARG HG3 . 7300 1 393 . 1 1 36 36 ARG HD2 H 1 3.68 0.01 . 2 . . . . 36 ARG HD2 . 7300 1 394 . 1 1 36 36 ARG HD3 H 1 2.69 0.01 . 2 . . . . 36 ARG HD3 . 7300 1 395 . 1 1 36 36 ARG C C 13 171.52 0.05 . 1 . . . . 36 ARG C . 7300 1 396 . 1 1 36 36 ARG CA C 13 58.09 0.05 . 1 . . . . 36 ARG CA . 7300 1 397 . 1 1 36 36 ARG CB C 13 28.70 0.04 . 1 . . . . 36 ARG CB . 7300 1 398 . 1 1 36 36 ARG CG C 13 24.52 0.05 . 1 . . . . 36 ARG CG . 7300 1 399 . 1 1 36 36 ARG CD C 13 39.62 0.10 . 1 . . . . 36 ARG CD . 7300 1 400 . 1 1 36 36 ARG N N 15 119.70 0.01 . 1 . . . . 36 ARG N . 7300 1 401 . 1 1 37 37 SER H H 1 8.31 0.01 . 1 . . . . 37 SER H . 7300 1 402 . 1 1 37 37 SER HA H 1 3.78 0.01 . 1 . . . . 37 SER HA . 7300 1 403 . 1 1 37 37 SER HB2 H 1 3.96 0.01 . 1 . . . . 37 SER HB2 . 7300 1 404 . 1 1 37 37 SER HB3 H 1 3.96 0.01 . 1 . . . . 37 SER HB3 . 7300 1 405 . 1 1 37 37 SER C C 13 174.48 0.05 . 1 . . . . 37 SER C . 7300 1 406 . 1 1 37 37 SER CA C 13 59.90 0.10 . 1 . . . . 37 SER CA . 7300 1 407 . 1 1 37 37 SER CB C 13 61.13 0.11 . 1 . . . . 37 SER CB . 7300 1 408 . 1 1 37 37 SER N N 15 110.50 0.03 . 1 . . . . 37 SER N . 7300 1 409 . 1 1 38 38 GLN H H 1 7.72 0.01 . 1 . . . . 38 GLN H . 7300 1 410 . 1 1 38 38 GLN HA H 1 4.22 0.01 . 1 . . . . 38 GLN HA . 7300 1 411 . 1 1 38 38 GLN HB2 H 1 2.13 0.01 . 2 . . . . 38 GLN HB2 . 7300 1 412 . 1 1 38 38 GLN HB3 H 1 2.09 0.01 . 2 . . . . 38 GLN HB3 . 7300 1 413 . 1 1 38 38 GLN HG2 H 1 2.50 0.01 . 2 . . . . 38 GLN HG2 . 7300 1 414 . 1 1 38 38 GLN HG3 H 1 2.39 0.01 . 2 . . . . 38 GLN HG3 . 7300 1 415 . 1 1 38 38 GLN HE21 H 1 6.72 0.01 . 2 . . . . 38 GLN HE21 . 7300 1 416 . 1 1 38 38 GLN HE22 H 1 7.32 0.01 . 2 . . . . 38 GLN HE22 . 7300 1 417 . 1 1 38 38 GLN C C 13 172.63 0.05 . 1 . . . . 38 GLN C . 7300 1 418 . 1 1 38 38 GLN CA C 13 55.93 0.11 . 1 . . . . 38 GLN CA . 7300 1 419 . 1 1 38 38 GLN CB C 13 28.07 0.10 . 1 . . . . 38 GLN CB . 7300 1 420 . 1 1 38 38 GLN CG C 13 32.31 0.05 . 1 . . . . 38 GLN CG . 7300 1 421 . 1 1 38 38 GLN N N 15 116.91 0.02 . 1 . . . . 38 GLN N . 7300 1 422 . 1 1 38 38 GLN NE2 N 15 110.45 0.03 . 1 . . . . 38 GLN NE2 . 7300 1 423 . 1 1 39 39 LEU H H 1 7.96 0.01 . 1 . . . . 39 LEU H . 7300 1 424 . 1 1 39 39 LEU HA H 1 4.47 0.01 . 1 . . . . 39 LEU HA . 7300 1 425 . 1 1 39 39 LEU HB2 H 1 2.09 0.01 . 2 . . . . 39 LEU HB2 . 7300 1 426 . 1 1 39 39 LEU HB3 H 1 1.35 0.01 . 2 . . . . 39 LEU HB3 . 7300 1 427 . 1 1 39 39 LEU HG H 1 1.63 0.01 . 1 . . . . 39 LEU HG . 7300 1 428 . 1 1 39 39 LEU HD11 H 1 0.99 0.01 . 1 . . . . 39 LEU HD1 . 7300 1 429 . 1 1 39 39 LEU HD12 H 1 0.99 0.01 . 1 . . . . 39 LEU HD1 . 7300 1 430 . 1 1 39 39 LEU HD13 H 1 0.99 0.01 . 1 . . . . 39 LEU HD1 . 7300 1 431 . 1 1 39 39 LEU HD21 H 1 0.97 0.01 . 1 . . . . 39 LEU HD2 . 7300 1 432 . 1 1 39 39 LEU HD22 H 1 0.97 0.01 . 1 . . . . 39 LEU HD2 . 7300 1 433 . 1 1 39 39 LEU HD23 H 1 0.97 0.01 . 1 . . . . 39 LEU HD2 . 7300 1 434 . 1 1 39 39 LEU C C 13 174.28 0.05 . 1 . . . . 39 LEU C . 7300 1 435 . 1 1 39 39 LEU CA C 13 54.03 0.07 . 1 . . . . 39 LEU CA . 7300 1 436 . 1 1 39 39 LEU CB C 13 43.61 0.06 . 1 . . . . 39 LEU CB . 7300 1 437 . 1 1 39 39 LEU CG C 13 25.25 0.17 . 1 . . . . 39 LEU CG . 7300 1 438 . 1 1 39 39 LEU CD1 C 13 23.98 0.05 . 2 . . . . 39 LEU CD1 . 7300 1 439 . 1 1 39 39 LEU CD2 C 13 20.80 0.07 . 2 . . . . 39 LEU CD2 . 7300 1 440 . 1 1 39 39 LEU N N 15 116.64 0.03 . 1 . . . . 39 LEU N . 7300 1 441 . 1 1 40 40 TYR H H 1 8.20 0.01 . 1 . . . . 40 TYR H . 7300 1 442 . 1 1 40 40 TYR HA H 1 4.78 0.01 . 1 . . . . 40 TYR HA . 7300 1 443 . 1 1 40 40 TYR HB2 H 1 3.23 0.01 . 2 . . . . 40 TYR HB2 . 7300 1 444 . 1 1 40 40 TYR HB3 H 1 2.08 0.01 . 2 . . . . 40 TYR HB3 . 7300 1 445 . 1 1 40 40 TYR CA C 13 54.53 0.12 . 1 . . . . 40 TYR CA . 7300 1 446 . 1 1 40 40 TYR CB C 13 38.03 0.03 . 1 . . . . 40 TYR CB . 7300 1 447 . 1 1 40 40 TYR N N 15 118.78 0.01 . 1 . . . . 40 TYR N . 7300 1 448 . 1 1 41 41 PRO HA H 1 3.99 0.01 . 1 . . . . 41 PRO HA . 7300 1 449 . 1 1 41 41 PRO HB2 H 1 2.44 0.01 . 2 . . . . 41 PRO HB2 . 7300 1 450 . 1 1 41 41 PRO HB3 H 1 1.95 0.01 . 2 . . . . 41 PRO HB3 . 7300 1 451 . 1 1 41 41 PRO HG2 H 1 1.95 0.02 . 1 . . . . 41 PRO HG2 . 7300 1 452 . 1 1 41 41 PRO HG3 H 1 1.95 0.02 . 1 . . . . 41 PRO HG3 . 7300 1 453 . 1 1 41 41 PRO HD2 H 1 3.42 0.01 . 2 . . . . 41 PRO HD2 . 7300 1 454 . 1 1 41 41 PRO HD3 H 1 3.05 0.01 . 2 . . . . 41 PRO HD3 . 7300 1 455 . 1 1 41 41 PRO C C 13 171.31 0.05 . 1 . . . . 41 PRO C . 7300 1 456 . 1 1 41 41 PRO CA C 13 63.55 0.08 . 1 . . . . 41 PRO CA . 7300 1 457 . 1 1 41 41 PRO CB C 13 29.01 0.06 . 1 . . . . 41 PRO CB . 7300 1 458 . 1 1 41 41 PRO CG C 13 25.93 0.03 . 1 . . . . 41 PRO CG . 7300 1 459 . 1 1 41 41 PRO CD C 13 48.20 0.04 . 1 . . . . 41 PRO CD . 7300 1 460 . 1 1 42 42 GLU H H 1 9.02 0.01 . 1 . . . . 42 GLU H . 7300 1 461 . 1 1 42 42 GLU HA H 1 4.34 0.01 . 1 . . . . 42 GLU HA . 7300 1 462 . 1 1 42 42 GLU HB2 H 1 2.24 0.01 . 2 . . . . 42 GLU HB2 . 7300 1 463 . 1 1 42 42 GLU HB3 H 1 1.97 0.01 . 2 . . . . 42 GLU HB3 . 7300 1 464 . 1 1 42 42 GLU HG2 H 1 2.33 0.01 . 2 . . . . 42 GLU HG2 . 7300 1 465 . 1 1 42 42 GLU HG3 H 1 2.23 0.01 . 2 . . . . 42 GLU HG3 . 7300 1 466 . 1 1 42 42 GLU C C 13 173.77 0.05 . 1 . . . . 42 GLU C . 7300 1 467 . 1 1 42 42 GLU CA C 13 54.51 0.19 . 1 . . . . 42 GLU CA . 7300 1 468 . 1 1 42 42 GLU CB C 13 26.92 0.11 . 1 . . . . 42 GLU CB . 7300 1 469 . 1 1 42 42 GLU CG C 13 34.40 0.03 . 1 . . . . 42 GLU CG . 7300 1 470 . 1 1 42 42 GLU N N 15 117.41 0.03 . 1 . . . . 42 GLU N . 7300 1 471 . 1 1 43 43 VAL H H 1 8.12 0.01 . 1 . . . . 43 VAL H . 7300 1 472 . 1 1 43 43 VAL HA H 1 4.36 0.01 . 1 . . . . 43 VAL HA . 7300 1 473 . 1 1 43 43 VAL HB H 1 2.34 0.01 . 1 . . . . 43 VAL HB . 7300 1 474 . 1 1 43 43 VAL HG11 H 1 1.10 0.01 . 1 . . . . 43 VAL HG1 . 7300 1 475 . 1 1 43 43 VAL HG12 H 1 1.10 0.01 . 1 . . . . 43 VAL HG1 . 7300 1 476 . 1 1 43 43 VAL HG13 H 1 1.10 0.01 . 1 . . . . 43 VAL HG1 . 7300 1 477 . 1 1 43 43 VAL HG21 H 1 1.08 0.01 . 1 . . . . 43 VAL HG2 . 7300 1 478 . 1 1 43 43 VAL HG22 H 1 1.08 0.01 . 1 . . . . 43 VAL HG2 . 7300 1 479 . 1 1 43 43 VAL HG23 H 1 1.08 0.01 . 1 . . . . 43 VAL HG2 . 7300 1 480 . 1 1 43 43 VAL CA C 13 58.13 0.06 . 1 . . . . 43 VAL CA . 7300 1 481 . 1 1 43 43 VAL CB C 13 30.64 0.06 . 1 . . . . 43 VAL CB . 7300 1 482 . 1 1 43 43 VAL CG1 C 13 19.19 0.02 . 2 . . . . 43 VAL CG1 . 7300 1 483 . 1 1 43 43 VAL CG2 C 13 20.77 0.03 . 2 . . . . 43 VAL CG2 . 7300 1 484 . 1 1 43 43 VAL N N 15 125.94 0.01 . 1 . . . . 43 VAL N . 7300 1 485 . 1 1 44 44 PRO HA H 1 4.79 0.01 . 1 . . . . 44 PRO HA . 7300 1 486 . 1 1 44 44 PRO HB2 H 1 2.56 0.01 . 2 . . . . 44 PRO HB2 . 7300 1 487 . 1 1 44 44 PRO HB3 H 1 2.00 0.01 . 2 . . . . 44 PRO HB3 . 7300 1 488 . 1 1 44 44 PRO HG2 H 1 2.11 0.01 . 1 . . . . 44 PRO HG2 . 7300 1 489 . 1 1 44 44 PRO HG3 H 1 2.11 0.01 . 1 . . . . 44 PRO HG3 . 7300 1 490 . 1 1 44 44 PRO HD2 H 1 4.13 0.01 . 2 . . . . 44 PRO HD2 . 7300 1 491 . 1 1 44 44 PRO HD3 H 1 3.78 0.01 . 2 . . . . 44 PRO HD3 . 7300 1 492 . 1 1 44 44 PRO CA C 13 59.86 0.04 . 1 . . . . 44 PRO CA . 7300 1 493 . 1 1 44 44 PRO CB C 13 29.68 0.08 . 1 . . . . 44 PRO CB . 7300 1 494 . 1 1 44 44 PRO CD C 13 49.09 0.03 . 1 . . . . 44 PRO CD . 7300 1 495 . 1 1 45 45 PRO HA H 1 4.24 0.01 . 1 . . . . 45 PRO HA . 7300 1 496 . 1 1 45 45 PRO HB2 H 1 2.56 0.01 . 2 . . . . 45 PRO HB2 . 7300 1 497 . 1 1 45 45 PRO HB3 H 1 2.09 0.01 . 2 . . . . 45 PRO HB3 . 7300 1 498 . 1 1 45 45 PRO HG2 H 1 2.31 0.01 . 2 . . . . 45 PRO HG2 . 7300 1 499 . 1 1 45 45 PRO HG3 H 1 2.11 0.01 . 2 . . . . 45 PRO HG3 . 7300 1 500 . 1 1 45 45 PRO HD2 H 1 3.94 0.01 . 2 . . . . 45 PRO HD2 . 7300 1 501 . 1 1 45 45 PRO HD3 H 1 3.84 0.01 . 2 . . . . 45 PRO HD3 . 7300 1 502 . 1 1 45 45 PRO C C 13 171.85 0.05 . 1 . . . . 45 PRO C . 7300 1 503 . 1 1 45 45 PRO CA C 13 64.67 0.08 . 1 . . . . 45 PRO CA . 7300 1 504 . 1 1 45 45 PRO CB C 13 30.46 0.03 . 1 . . . . 45 PRO CB . 7300 1 505 . 1 1 45 45 PRO CG C 13 25.81 0.18 . 1 . . . . 45 PRO CG . 7300 1 506 . 1 1 45 45 PRO CD C 13 48.75 0.07 . 1 . . . . 45 PRO CD . 7300 1 507 . 1 1 46 46 GLU H H 1 9.76 0.01 . 1 . . . . 46 GLU H . 7300 1 508 . 1 1 46 46 GLU HA H 1 4.19 0.01 . 1 . . . . 46 GLU HA . 7300 1 509 . 1 1 46 46 GLU HB2 H 1 2.11 0.01 . 1 . . . . 46 GLU HB2 . 7300 1 510 . 1 1 46 46 GLU HB3 H 1 2.11 0.01 . 1 . . . . 46 GLU HB3 . 7300 1 511 . 1 1 46 46 GLU HG2 H 1 2.42 0.01 . 1 . . . . 46 GLU HG2 . 7300 1 512 . 1 1 46 46 GLU HG3 H 1 2.42 0.01 . 1 . . . . 46 GLU HG3 . 7300 1 513 . 1 1 46 46 GLU C C 13 172.24 0.05 . 1 . . . . 46 GLU C . 7300 1 514 . 1 1 46 46 GLU CA C 13 57.46 0.08 . 1 . . . . 46 GLU CA . 7300 1 515 . 1 1 46 46 GLU CB C 13 26.59 0.07 . 1 . . . . 46 GLU CB . 7300 1 516 . 1 1 46 46 GLU CG C 13 34.57 0.03 . 1 . . . . 46 GLU CG . 7300 1 517 . 1 1 46 46 GLU N N 15 115.28 0.02 . 1 . . . . 46 GLU N . 7300 1 518 . 1 1 47 47 GLU H H 1 7.57 0.01 . 1 . . . . 47 GLU H . 7300 1 519 . 1 1 47 47 GLU HA H 1 4.43 0.01 . 1 . . . . 47 GLU HA . 7300 1 520 . 1 1 47 47 GLU HB2 H 1 2.12 0.01 . 2 . . . . 47 GLU HB2 . 7300 1 521 . 1 1 47 47 GLU HB3 H 1 1.98 0.01 . 2 . . . . 47 GLU HB3 . 7300 1 522 . 1 1 47 47 GLU HG2 H 1 2.32 0.01 . 2 . . . . 47 GLU HG2 . 7300 1 523 . 1 1 47 47 GLU HG3 H 1 2.26 0.01 . 2 . . . . 47 GLU HG3 . 7300 1 524 . 1 1 47 47 GLU C C 13 172.27 0.05 . 1 . . . . 47 GLU C . 7300 1 525 . 1 1 47 47 GLU CA C 13 55.12 0.09 . 1 . . . . 47 GLU CA . 7300 1 526 . 1 1 47 47 GLU CB C 13 28.78 0.09 . 1 . . . . 47 GLU CB . 7300 1 527 . 1 1 47 47 GLU CG C 13 34.56 0.04 . 1 . . . . 47 GLU CG . 7300 1 528 . 1 1 47 47 GLU N N 15 117.69 0.01 . 1 . . . . 47 GLU N . 7300 1 529 . 1 1 48 48 PHE H H 1 8.55 0.01 . 1 . . . . 48 PHE H . 7300 1 530 . 1 1 48 48 PHE HA H 1 4.23 0.01 . 1 . . . . 48 PHE HA . 7300 1 531 . 1 1 48 48 PHE HB2 H 1 3.00 0.01 . 1 . . . . 48 PHE HB2 . 7300 1 532 . 1 1 48 48 PHE HB3 H 1 3.00 0.01 . 1 . . . . 48 PHE HB3 . 7300 1 533 . 1 1 48 48 PHE C C 13 174.38 0.05 . 1 . . . . 48 PHE C . 7300 1 534 . 1 1 48 48 PHE CA C 13 59.19 0.08 . 1 . . . . 48 PHE CA . 7300 1 535 . 1 1 48 48 PHE CB C 13 37.52 0.10 . 1 . . . . 48 PHE CB . 7300 1 536 . 1 1 48 48 PHE N N 15 121.60 0.01 . 1 . . . . 48 PHE N . 7300 1 537 . 1 1 49 49 ARG H H 1 8.10 0.01 . 1 . . . . 49 ARG H . 7300 1 538 . 1 1 49 49 ARG HA H 1 4.00 0.01 . 1 . . . . 49 ARG HA . 7300 1 539 . 1 1 49 49 ARG HB2 H 1 2.08 0.01 . 2 . . . . 49 ARG HB2 . 7300 1 540 . 1 1 49 49 ARG HB3 H 1 1.93 0.01 . 2 . . . . 49 ARG HB3 . 7300 1 541 . 1 1 49 49 ARG HG2 H 1 1.65 0.01 . 2 . . . . 49 ARG HG2 . 7300 1 542 . 1 1 49 49 ARG HG3 H 1 1.93 0.01 . 2 . . . . 49 ARG HG3 . 7300 1 543 . 1 1 49 49 ARG HD2 H 1 3.36 0.01 . 2 . . . . 49 ARG HD2 . 7300 1 544 . 1 1 49 49 ARG HD3 H 1 3.25 0.01 . 2 . . . . 49 ARG HD3 . 7300 1 545 . 1 1 49 49 ARG CA C 13 60.17 0.07 . 1 . . . . 49 ARG CA . 7300 1 546 . 1 1 49 49 ARG CB C 13 25.72 0.10 . 1 . . . . 49 ARG CB . 7300 1 547 . 1 1 49 49 ARG CG C 13 25.60 0.10 . 1 . . . . 49 ARG CG . 7300 1 548 . 1 1 49 49 ARG CD C 13 41.51 0.11 . 1 . . . . 49 ARG CD . 7300 1 549 . 1 1 49 49 ARG N N 15 117.33 0.03 . 1 . . . . 49 ARG N . 7300 1 550 . 1 1 50 50 PRO HA H 1 4.45 0.01 . 1 . . . . 50 PRO HA . 7300 1 551 . 1 1 50 50 PRO HB2 H 1 2.32 0.01 . 2 . . . . 50 PRO HB2 . 7300 1 552 . 1 1 50 50 PRO HB3 H 1 1.96 0.01 . 2 . . . . 50 PRO HB3 . 7300 1 553 . 1 1 50 50 PRO HG2 H 1 2.16 0.02 . 2 . . . . 50 PRO HG2 . 7300 1 554 . 1 1 50 50 PRO HG3 H 1 2.10 0.01 . 2 . . . . 50 PRO HG3 . 7300 1 555 . 1 1 50 50 PRO HD2 H 1 3.72 0.01 . 2 . . . . 50 PRO HD2 . 7300 1 556 . 1 1 50 50 PRO HD3 H 1 3.49 0.01 . 2 . . . . 50 PRO HD3 . 7300 1 557 . 1 1 50 50 PRO C C 13 171.16 0.05 . 1 . . . . 50 PRO C . 7300 1 558 . 1 1 50 50 PRO CA C 13 63.33 0.04 . 1 . . . . 50 PRO CA . 7300 1 559 . 1 1 50 50 PRO CB C 13 28.55 0.07 . 1 . . . . 50 PRO CB . 7300 1 560 . 1 1 50 50 PRO CG C 13 25.80 0.03 . 1 . . . . 50 PRO CG . 7300 1 561 . 1 1 50 50 PRO CD C 13 48.53 0.05 . 1 . . . . 50 PRO CD . 7300 1 562 . 1 1 51 51 PHE H H 1 6.72 0.01 . 1 . . . . 51 PHE H . 7300 1 563 . 1 1 51 51 PHE HA H 1 4.24 0.01 . 1 . . . . 51 PHE HA . 7300 1 564 . 1 1 51 51 PHE HB2 H 1 3.20 0.01 . 2 . . . . 51 PHE HB2 . 7300 1 565 . 1 1 51 51 PHE HB3 H 1 2.90 0.01 . 2 . . . . 51 PHE HB3 . 7300 1 566 . 1 1 51 51 PHE C C 13 174.22 0.05 . 1 . . . . 51 PHE C . 7300 1 567 . 1 1 51 51 PHE CA C 13 59.00 0.07 . 1 . . . . 51 PHE CA . 7300 1 568 . 1 1 51 51 PHE CB C 13 37.02 0.07 . 1 . . . . 51 PHE CB . 7300 1 569 . 1 1 51 51 PHE N N 15 122.20 0.03 . 1 . . . . 51 PHE N . 7300 1 570 . 1 1 52 52 LEU H H 1 8.31 0.01 . 1 . . . . 52 LEU H . 7300 1 571 . 1 1 52 52 LEU HA H 1 3.31 0.01 . 1 . . . . 52 LEU HA . 7300 1 572 . 1 1 52 52 LEU HB2 H 1 1.55 0.01 . 2 . . . . 52 LEU HB2 . 7300 1 573 . 1 1 52 52 LEU HB3 H 1 0.63 0.01 . 2 . . . . 52 LEU HB3 . 7300 1 574 . 1 1 52 52 LEU HG H 1 1.39 0.01 . 1 . . . . 52 LEU HG . 7300 1 575 . 1 1 52 52 LEU HD11 H 1 0.94 0.01 . 1 . . . . 52 LEU HD1 . 7300 1 576 . 1 1 52 52 LEU HD12 H 1 0.94 0.01 . 1 . . . . 52 LEU HD1 . 7300 1 577 . 1 1 52 52 LEU HD13 H 1 0.94 0.01 . 1 . . . . 52 LEU HD1 . 7300 1 578 . 1 1 52 52 LEU HD21 H 1 0.88 0.01 . 1 . . . . 52 LEU HD2 . 7300 1 579 . 1 1 52 52 LEU HD22 H 1 0.88 0.01 . 1 . . . . 52 LEU HD2 . 7300 1 580 . 1 1 52 52 LEU HD23 H 1 0.88 0.01 . 1 . . . . 52 LEU HD2 . 7300 1 581 . 1 1 52 52 LEU C C 13 171.94 0.05 . 1 . . . . 52 LEU C . 7300 1 582 . 1 1 52 52 LEU CA C 13 55.90 0.04 . 1 . . . . 52 LEU CA . 7300 1 583 . 1 1 52 52 LEU CB C 13 38.52 0.04 . 1 . . . . 52 LEU CB . 7300 1 584 . 1 1 52 52 LEU CG C 13 25.00 0.04 . 1 . . . . 52 LEU CG . 7300 1 585 . 1 1 52 52 LEU CD1 C 13 24.20 0.04 . 2 . . . . 52 LEU CD1 . 7300 1 586 . 1 1 52 52 LEU CD2 C 13 23.46 0.08 . 2 . . . . 52 LEU CD2 . 7300 1 587 . 1 1 52 52 LEU N N 15 120.85 0.01 . 1 . . . . 52 LEU N . 7300 1 588 . 1 1 53 53 ALA H H 1 7.70 0.01 . 1 . . . . 53 ALA H . 7300 1 589 . 1 1 53 53 ALA HA H 1 3.93 0.01 . 1 . . . . 53 ALA HA . 7300 1 590 . 1 1 53 53 ALA HB1 H 1 1.42 0.01 . 1 . . . . 53 ALA HB . 7300 1 591 . 1 1 53 53 ALA HB2 H 1 1.42 0.01 . 1 . . . . 53 ALA HB . 7300 1 592 . 1 1 53 53 ALA HB3 H 1 1.42 0.01 . 1 . . . . 53 ALA HB . 7300 1 593 . 1 1 53 53 ALA C C 13 174.63 0.05 . 1 . . . . 53 ALA C . 7300 1 594 . 1 1 53 53 ALA CA C 13 53.19 0.07 . 1 . . . . 53 ALA CA . 7300 1 595 . 1 1 53 53 ALA CB C 13 15.92 0.05 . 1 . . . . 53 ALA CB . 7300 1 596 . 1 1 53 53 ALA N N 15 118.99 0.03 . 1 . . . . 53 ALA N . 7300 1 597 . 1 1 54 54 LYS H H 1 7.85 0.01 . 1 . . . . 54 LYS H . 7300 1 598 . 1 1 54 54 LYS HA H 1 4.01 0.01 . 1 . . . . 54 LYS HA . 7300 1 599 . 1 1 54 54 LYS HB2 H 1 1.93 0.01 . 1 . . . . 54 LYS HB2 . 7300 1 600 . 1 1 54 54 LYS HB3 H 1 1.93 0.01 . 1 . . . . 54 LYS HB3 . 7300 1 601 . 1 1 54 54 LYS HG2 H 1 1.50 0.01 . 2 . . . . 54 LYS HG2 . 7300 1 602 . 1 1 54 54 LYS HG3 H 1 1.26 0.01 . 2 . . . . 54 LYS HG3 . 7300 1 603 . 1 1 54 54 LYS HD2 H 1 1.69 0.01 . 1 . . . . 54 LYS HD2 . 7300 1 604 . 1 1 54 54 LYS HD3 H 1 1.69 0.01 . 1 . . . . 54 LYS HD3 . 7300 1 605 . 1 1 54 54 LYS HE2 H 1 2.94 0.01 . 1 . . . . 54 LYS HE2 . 7300 1 606 . 1 1 54 54 LYS HE3 H 1 2.94 0.01 . 1 . . . . 54 LYS HE3 . 7300 1 607 . 1 1 54 54 LYS C C 13 170.81 0.05 . 1 . . . . 54 LYS C . 7300 1 608 . 1 1 54 54 LYS CA C 13 57.10 0.09 . 1 . . . . 54 LYS CA . 7300 1 609 . 1 1 54 54 LYS CB C 13 29.94 0.04 . 1 . . . . 54 LYS CB . 7300 1 610 . 1 1 54 54 LYS CG C 13 21.98 0.03 . 1 . . . . 54 LYS CG . 7300 1 611 . 1 1 54 54 LYS CD C 13 27.73 0.08 . 1 . . . . 54 LYS CD . 7300 1 612 . 1 1 54 54 LYS CE C 13 39.45 0.16 . 1 . . . . 54 LYS CE . 7300 1 613 . 1 1 54 54 LYS N N 15 120.75 0.04 . 1 . . . . 54 LYS N . 7300 1 614 . 1 1 55 55 MET H H 1 7.90 0.01 . 1 . . . . 55 MET H . 7300 1 615 . 1 1 55 55 MET HA H 1 4.22 0.01 . 1 . . . . 55 MET HA . 7300 1 616 . 1 1 55 55 MET HB2 H 1 1.71 0.01 . 2 . . . . 55 MET HB2 . 7300 1 617 . 1 1 55 55 MET HB3 H 1 1.31 0.01 . 2 . . . . 55 MET HB3 . 7300 1 618 . 1 1 55 55 MET HG2 H 1 1.84 0.01 . 2 . . . . 55 MET HG2 . 7300 1 619 . 1 1 55 55 MET HG3 H 1 1.77 0.01 . 2 . . . . 55 MET HG3 . 7300 1 620 . 1 1 55 55 MET C C 13 172.22 0.05 . 1 . . . . 55 MET C . 7300 1 621 . 1 1 55 55 MET CA C 13 54.68 0.06 . 1 . . . . 55 MET CA . 7300 1 622 . 1 1 55 55 MET CB C 13 29.35 0.07 . 1 . . . . 55 MET CB . 7300 1 623 . 1 1 55 55 MET CG C 13 30.58 0.16 . 1 . . . . 55 MET CG . 7300 1 624 . 1 1 55 55 MET N N 15 118.03 0.01 . 1 . . . . 55 MET N . 7300 1 625 . 1 1 56 56 ARG H H 1 8.81 0.01 . 1 . . . . 56 ARG H . 7300 1 626 . 1 1 56 56 ARG HA H 1 3.76 0.01 . 1 . . . . 56 ARG HA . 7300 1 627 . 1 1 56 56 ARG HB2 H 1 1.79 0.01 . 1 . . . . 56 ARG HB2 . 7300 1 628 . 1 1 56 56 ARG HB3 H 1 1.79 0.01 . 1 . . . . 56 ARG HB3 . 7300 1 629 . 1 1 56 56 ARG HG2 H 1 1.54 0.01 . 2 . . . . 56 ARG HG2 . 7300 1 630 . 1 1 56 56 ARG HG3 H 1 1.68 0.01 . 2 . . . . 56 ARG HG3 . 7300 1 631 . 1 1 56 56 ARG HD2 H 1 3.11 0.01 . 2 . . . . 56 ARG HD2 . 7300 1 632 . 1 1 56 56 ARG HD3 H 1 3.17 0.01 . 2 . . . . 56 ARG HD3 . 7300 1 633 . 1 1 56 56 ARG C C 13 171.19 0.05 . 1 . . . . 56 ARG C . 7300 1 634 . 1 1 56 56 ARG CA C 13 58.21 0.05 . 1 . . . . 56 ARG CA . 7300 1 635 . 1 1 56 56 ARG CB C 13 28.50 0.07 . 1 . . . . 56 ARG CB . 7300 1 636 . 1 1 56 56 ARG CG C 13 26.27 0.07 . 1 . . . . 56 ARG CG . 7300 1 637 . 1 1 56 56 ARG CD C 13 41.79 0.06 . 1 . . . . 56 ARG CD . 7300 1 638 . 1 1 56 56 ARG N N 15 119.34 0.02 . 1 . . . . 56 ARG N . 7300 1 639 . 1 1 57 57 GLY H H 1 7.99 0.01 . 1 . . . . 57 GLY H . 7300 1 640 . 1 1 57 57 GLY HA2 H 1 4.00 0.01 . 2 . . . . 57 GLY HA2 . 7300 1 641 . 1 1 57 57 GLY HA3 H 1 3.88 0.02 . 1 . . . . 57 GLY HA3 . 7300 1 642 . 1 1 57 57 GLY C C 13 173.52 0.05 . 1 . . . . 57 GLY C . 7300 1 643 . 1 1 57 57 GLY CA C 13 45.16 0.08 . 1 . . . . 57 GLY CA . 7300 1 644 . 1 1 57 57 GLY N N 15 105.83 0.02 . 1 . . . . 57 GLY N . 7300 1 645 . 1 1 58 58 ILE H H 1 7.88 0.01 . 1 . . . . 58 ILE H . 7300 1 646 . 1 1 58 58 ILE HA H 1 3.88 0.01 . 1 . . . . 58 ILE HA . 7300 1 647 . 1 1 58 58 ILE HB H 1 2.01 0.01 . 1 . . . . 58 ILE HB . 7300 1 648 . 1 1 58 58 ILE HG12 H 1 1.80 0.01 . 2 . . . . 58 ILE HG12 . 7300 1 649 . 1 1 58 58 ILE HG13 H 1 1.13 0.01 . 2 . . . . 58 ILE HG13 . 7300 1 650 . 1 1 58 58 ILE HG21 H 1 0.98 0.01 . 1 . . . . 58 ILE HG2 . 7300 1 651 . 1 1 58 58 ILE HG22 H 1 0.98 0.01 . 1 . . . . 58 ILE HG2 . 7300 1 652 . 1 1 58 58 ILE HG23 H 1 0.98 0.01 . 1 . . . . 58 ILE HG2 . 7300 1 653 . 1 1 58 58 ILE HD11 H 1 0.78 0.01 . 1 . . . . 58 ILE HD1 . 7300 1 654 . 1 1 58 58 ILE HD12 H 1 0.78 0.01 . 1 . . . . 58 ILE HD1 . 7300 1 655 . 1 1 58 58 ILE HD13 H 1 0.78 0.01 . 1 . . . . 58 ILE HD1 . 7300 1 656 . 1 1 58 58 ILE C C 13 172.95 0.05 . 1 . . . . 58 ILE C . 7300 1 657 . 1 1 58 58 ILE CA C 13 63.32 0.06 . 1 . . . . 58 ILE CA . 7300 1 658 . 1 1 58 58 ILE CB C 13 35.72 0.03 . 1 . . . . 58 ILE CB . 7300 1 659 . 1 1 58 58 ILE CG1 C 13 28.07 0.03 . 1 . . . . 58 ILE CG1 . 7300 1 660 . 1 1 58 58 ILE CG2 C 13 15.51 0.04 . 1 . . . . 58 ILE CG2 . 7300 1 661 . 1 1 58 58 ILE CD1 C 13 11.40 0.03 . 1 . . . . 58 ILE CD1 . 7300 1 662 . 1 1 58 58 ILE N N 15 124.08 0.01 . 1 . . . . 58 ILE N . 7300 1 663 . 1 1 59 59 LEU H H 1 8.04 0.01 . 1 . . . . 59 LEU H . 7300 1 664 . 1 1 59 59 LEU HA H 1 3.91 0.01 . 1 . . . . 59 LEU HA . 7300 1 665 . 1 1 59 59 LEU HB2 H 1 1.74 0.01 . 2 . . . . 59 LEU HB2 . 7300 1 666 . 1 1 59 59 LEU HB3 H 1 1.56 0.01 . 2 . . . . 59 LEU HB3 . 7300 1 667 . 1 1 59 59 LEU HG H 1 1.75 0.01 . 1 . . . . 59 LEU HG . 7300 1 668 . 1 1 59 59 LEU C C 13 171.70 0.05 . 1 . . . . 59 LEU C . 7300 1 669 . 1 1 59 59 LEU CA C 13 56.08 0.07 . 1 . . . . 59 LEU CA . 7300 1 670 . 1 1 59 59 LEU CB C 13 39.44 0.05 . 1 . . . . 59 LEU CB . 7300 1 671 . 1 1 59 59 LEU CG C 13 25.25 0.03 . 1 . . . . 59 LEU CG . 7300 1 672 . 1 1 59 59 LEU CD1 C 13 22.82 0.05 . 2 . . . . 59 LEU CD1 . 7300 1 673 . 1 1 59 59 LEU N N 15 119.23 0.03 . 1 . . . . 59 LEU N . 7300 1 674 . 1 1 60 60 LYS H H 1 8.30 0.01 . 1 . . . . 60 LYS H . 7300 1 675 . 1 1 60 60 LYS HA H 1 4.00 0.01 . 1 . . . . 60 LYS HA . 7300 1 676 . 1 1 60 60 LYS HB2 H 1 1.94 0.01 . 1 . . . . 60 LYS HB2 . 7300 1 677 . 1 1 60 60 LYS HB3 H 1 1.94 0.01 . 1 . . . . 60 LYS HB3 . 7300 1 678 . 1 1 60 60 LYS HG2 H 1 1.41 0.01 . 1 . . . . 60 LYS HG2 . 7300 1 679 . 1 1 60 60 LYS HG3 H 1 1.41 0.01 . 1 . . . . 60 LYS HG3 . 7300 1 680 . 1 1 60 60 LYS HD2 H 1 1.68 0.01 . 1 . . . . 60 LYS HD2 . 7300 1 681 . 1 1 60 60 LYS HD3 H 1 1.68 0.01 . 1 . . . . 60 LYS HD3 . 7300 1 682 . 1 1 60 60 LYS HE2 H 1 2.95 0.01 . 1 . . . . 60 LYS HE2 . 7300 1 683 . 1 1 60 60 LYS HE3 H 1 2.95 0.01 . 1 . . . . 60 LYS HE3 . 7300 1 684 . 1 1 60 60 LYS C C 13 170.39 0.05 . 1 . . . . 60 LYS C . 7300 1 685 . 1 1 60 60 LYS CA C 13 57.62 0.05 . 1 . . . . 60 LYS CA . 7300 1 686 . 1 1 60 60 LYS CB C 13 30.06 0.06 . 1 . . . . 60 LYS CB . 7300 1 687 . 1 1 60 60 LYS CG C 13 23.26 0.07 . 1 . . . . 60 LYS CG . 7300 1 688 . 1 1 60 60 LYS CD C 13 27.25 0.04 . 1 . . . . 60 LYS CD . 7300 1 689 . 1 1 60 60 LYS CE C 13 39.94 0.12 . 1 . . . . 60 LYS CE . 7300 1 690 . 1 1 60 60 LYS N N 15 117.79 0.02 . 1 . . . . 60 LYS N . 7300 1 691 . 1 1 61 61 SER H H 1 8.07 0.01 . 1 . . . . 61 SER H . 7300 1 692 . 1 1 61 61 SER HA H 1 3.98 0.01 . 1 . . . . 61 SER HA . 7300 1 693 . 1 1 61 61 SER HB2 H 1 3.37 0.01 . 1 . . . . 61 SER HB2 . 7300 1 694 . 1 1 61 61 SER HB3 H 1 3.37 0.01 . 1 . . . . 61 SER HB3 . 7300 1 695 . 1 1 61 61 SER C C 13 174.24 0.05 . 1 . . . . 61 SER C . 7300 1 696 . 1 1 61 61 SER CA C 13 61.04 0.19 . 1 . . . . 61 SER CA . 7300 1 697 . 1 1 61 61 SER CB C 13 61.37 0.10 . 1 . . . . 61 SER CB . 7300 1 698 . 1 1 61 61 SER N N 15 117.68 0.01 . 1 . . . . 61 SER N . 7300 1 699 . 1 1 62 62 ILE H H 1 7.62 0.01 . 1 . . . . 62 ILE H . 7300 1 700 . 1 1 62 62 ILE HA H 1 3.22 0.01 . 1 . . . . 62 ILE HA . 7300 1 701 . 1 1 62 62 ILE HB H 1 1.22 0.01 . 1 . . . . 62 ILE HB . 7300 1 702 . 1 1 62 62 ILE HG12 H 1 1.45 0.01 . 2 . . . . 62 ILE HG12 . 7300 1 703 . 1 1 62 62 ILE HG13 H 1 0.77 0.01 . 2 . . . . 62 ILE HG13 . 7300 1 704 . 1 1 62 62 ILE HG21 H 1 -0.50 0.01 . 1 . . . . 62 ILE HG2 . 7300 1 705 . 1 1 62 62 ILE HG22 H 1 -0.50 0.01 . 1 . . . . 62 ILE HG2 . 7300 1 706 . 1 1 62 62 ILE HG23 H 1 -0.50 0.01 . 1 . . . . 62 ILE HG2 . 7300 1 707 . 1 1 62 62 ILE HD11 H 1 0.56 0.01 . 1 . . . . 62 ILE HD1 . 7300 1 708 . 1 1 62 62 ILE HD12 H 1 0.56 0.01 . 1 . . . . 62 ILE HD1 . 7300 1 709 . 1 1 62 62 ILE HD13 H 1 0.56 0.01 . 1 . . . . 62 ILE HD1 . 7300 1 710 . 1 1 62 62 ILE C C 13 172.90 0.05 . 1 . . . . 62 ILE C . 7300 1 711 . 1 1 62 62 ILE CA C 13 62.74 0.07 . 1 . . . . 62 ILE CA . 7300 1 712 . 1 1 62 62 ILE CB C 13 36.69 0.06 . 1 . . . . 62 ILE CB . 7300 1 713 . 1 1 62 62 ILE CG1 C 13 25.39 0.07 . 1 . . . . 62 ILE CG1 . 7300 1 714 . 1 1 62 62 ILE CG2 C 13 13.19 0.03 . 1 . . . . 62 ILE CG2 . 7300 1 715 . 1 1 62 62 ILE CD1 C 13 12.76 0.07 . 1 . . . . 62 ILE CD1 . 7300 1 716 . 1 1 62 62 ILE N N 15 121.04 0.01 . 1 . . . . 62 ILE N . 7300 1 717 . 1 1 63 63 ALA H H 1 8.19 0.01 . 1 . . . . 63 ALA H . 7300 1 718 . 1 1 63 63 ALA HA H 1 4.22 0.01 . 1 . . . . 63 ALA HA . 7300 1 719 . 1 1 63 63 ALA HB1 H 1 1.46 0.01 . 1 . . . . 63 ALA HB . 7300 1 720 . 1 1 63 63 ALA HB2 H 1 1.46 0.01 . 1 . . . . 63 ALA HB . 7300 1 721 . 1 1 63 63 ALA HB3 H 1 1.46 0.01 . 1 . . . . 63 ALA HB . 7300 1 722 . 1 1 63 63 ALA C C 13 178.79 0.05 . 1 . . . . 63 ALA C . 7300 1 723 . 1 1 63 63 ALA CA C 13 52.57 0.05 . 1 . . . . 63 ALA CA . 7300 1 724 . 1 1 63 63 ALA CB C 13 16.79 0.07 . 1 . . . . 63 ALA CB . 7300 1 725 . 1 1 63 63 ALA N N 15 119.71 0.03 . 1 . . . . 63 ALA N . 7300 1 726 . 1 1 64 64 SER H H 1 8.45 0.01 . 1 . . . . 64 SER H . 7300 1 727 . 1 1 64 64 SER HA H 1 4.24 0.01 . 1 . . . . 64 SER HA . 7300 1 728 . 1 1 64 64 SER HB2 H 1 3.96 0.01 . 1 . . . . 64 SER HB2 . 7300 1 729 . 1 1 64 64 SER HB3 H 1 3.96 0.01 . 1 . . . . 64 SER HB3 . 7300 1 730 . 1 1 64 64 SER C C 13 174.87 0.05 . 1 . . . . 64 SER C . 7300 1 731 . 1 1 64 64 SER CA C 13 59.23 0.11 . 1 . . . . 64 SER CA . 7300 1 732 . 1 1 64 64 SER CB C 13 61.06 0.13 . 1 . . . . 64 SER CB . 7300 1 733 . 1 1 64 64 SER N N 15 113.93 0.01 . 1 . . . . 64 SER N . 7300 1 734 . 1 1 65 65 ALA H H 1 6.93 0.01 . 1 . . . . 65 ALA H . 7300 1 735 . 1 1 65 65 ALA HA H 1 4.40 0.01 . 1 . . . . 65 ALA HA . 7300 1 736 . 1 1 65 65 ALA HB1 H 1 1.32 0.01 . 1 . . . . 65 ALA HB . 7300 1 737 . 1 1 65 65 ALA HB2 H 1 1.32 0.01 . 1 . . . . 65 ALA HB . 7300 1 738 . 1 1 65 65 ALA HB3 H 1 1.32 0.01 . 1 . . . . 65 ALA HB . 7300 1 739 . 1 1 65 65 ALA C C 13 173.82 0.05 . 1 . . . . 65 ALA C . 7300 1 740 . 1 1 65 65 ALA CA C 13 49.87 0.07 . 1 . . . . 65 ALA CA . 7300 1 741 . 1 1 65 65 ALA CB C 13 17.88 0.07 . 1 . . . . 65 ALA CB . 7300 1 742 . 1 1 65 65 ALA N N 15 121.72 0.03 . 1 . . . . 65 ALA N . 7300 1 743 . 1 1 66 66 ASP H H 1 7.94 0.01 . 1 . . . . 66 ASP H . 7300 1 744 . 1 1 66 66 ASP HA H 1 4.56 0.01 . 1 . . . . 66 ASP HA . 7300 1 745 . 1 1 66 66 ASP HB2 H 1 3.15 0.01 . 2 . . . . 66 ASP HB2 . 7300 1 746 . 1 1 66 66 ASP HB3 H 1 2.43 0.01 . 2 . . . . 66 ASP HB3 . 7300 1 747 . 1 1 66 66 ASP C C 13 174.27 0.05 . 1 . . . . 66 ASP C . 7300 1 748 . 1 1 66 66 ASP CA C 13 52.44 0.07 . 1 . . . . 66 ASP CA . 7300 1 749 . 1 1 66 66 ASP CB C 13 37.41 0.06 . 1 . . . . 66 ASP CB . 7300 1 750 . 1 1 66 66 ASP N N 15 120.41 0.01 . 1 . . . . 66 ASP N . 7300 1 751 . 1 1 67 67 MET H H 1 7.19 0.01 . 1 . . . . 67 MET H . 7300 1 752 . 1 1 67 67 MET HA H 1 4.11 0.01 . 1 . . . . 67 MET HA . 7300 1 753 . 1 1 67 67 MET HB2 H 1 2.05 0.01 . 2 . . . . 67 MET HB2 . 7300 1 754 . 1 1 67 67 MET HB3 H 1 1.58 0.01 . 2 . . . . 67 MET HB3 . 7300 1 755 . 1 1 67 67 MET HG2 H 1 2.65 0.01 . 2 . . . . 67 MET HG2 . 7300 1 756 . 1 1 67 67 MET HG3 H 1 2.30 0.01 . 2 . . . . 67 MET HG3 . 7300 1 757 . 1 1 67 67 MET C C 13 172.58 0.05 . 1 . . . . 67 MET C . 7300 1 758 . 1 1 67 67 MET CA C 13 56.91 0.05 . 1 . . . . 67 MET CA . 7300 1 759 . 1 1 67 67 MET CB C 13 31.55 0.08 . 1 . . . . 67 MET CB . 7300 1 760 . 1 1 67 67 MET CG C 13 32.27 0.08 . 1 . . . . 67 MET CG . 7300 1 761 . 1 1 67 67 MET N N 15 115.22 0.02 . 1 . . . . 67 MET N . 7300 1 762 . 1 1 68 68 ASP H H 1 8.52 0.01 . 1 . . . . 68 ASP H . 7300 1 763 . 1 1 68 68 ASP HA H 1 4.73 0.01 . 1 . . . . 68 ASP HA . 7300 1 764 . 1 1 68 68 ASP HB2 H 1 3.24 0.01 . 2 . . . . 68 ASP HB2 . 7300 1 765 . 1 1 68 68 ASP HB3 H 1 2.83 0.01 . 2 . . . . 68 ASP HB3 . 7300 1 766 . 1 1 68 68 ASP C C 13 173.72 0.05 . 1 . . . . 68 ASP C . 7300 1 767 . 1 1 68 68 ASP CA C 13 50.55 0.04 . 1 . . . . 68 ASP CA . 7300 1 768 . 1 1 68 68 ASP CB C 13 38.48 0.05 . 1 . . . . 68 ASP CB . 7300 1 769 . 1 1 68 68 ASP N N 15 121.95 0.02 . 1 . . . . 68 ASP N . 7300 1 770 . 1 1 69 69 PHE H H 1 8.45 0.01 . 1 . . . . 69 PHE H . 7300 1 771 . 1 1 69 69 PHE HA H 1 4.55 0.01 . 1 . . . . 69 PHE HA . 7300 1 772 . 1 1 69 69 PHE HB2 H 1 3.40 0.01 . 2 . . . . 69 PHE HB2 . 7300 1 773 . 1 1 69 69 PHE HB3 H 1 3.27 0.01 . 2 . . . . 69 PHE HB3 . 7300 1 774 . 1 1 69 69 PHE C C 13 171.90 0.05 . 1 . . . . 69 PHE C . 7300 1 775 . 1 1 69 69 PHE CA C 13 58.14 0.06 . 1 . . . . 69 PHE CA . 7300 1 776 . 1 1 69 69 PHE CB C 13 35.17 0.05 . 1 . . . . 69 PHE CB . 7300 1 777 . 1 1 69 69 PHE N N 15 116.31 0.02 . 1 . . . . 69 PHE N . 7300 1 778 . 1 1 70 70 ASN H H 1 8.41 0.01 . 1 . . . . 70 ASN H . 7300 1 779 . 1 1 70 70 ASN HA H 1 4.65 0.01 . 1 . . . . 70 ASN HA . 7300 1 780 . 1 1 70 70 ASN HB2 H 1 3.04 0.01 . 2 . . . . 70 ASN HB2 . 7300 1 781 . 1 1 70 70 ASN HB3 H 1 2.89 0.01 . 2 . . . . 70 ASN HB3 . 7300 1 782 . 1 1 70 70 ASN HD21 H 1 7.05 0.01 . 2 . . . . 70 ASN HD21 . 7300 1 783 . 1 1 70 70 ASN HD22 H 1 7.88 0.01 . 2 . . . . 70 ASN HD22 . 7300 1 784 . 1 1 70 70 ASN C C 13 171.77 0.05 . 1 . . . . 70 ASN C . 7300 1 785 . 1 1 70 70 ASN CA C 13 54.38 0.06 . 1 . . . . 70 ASN CA . 7300 1 786 . 1 1 70 70 ASN CB C 13 36.15 0.07 . 1 . . . . 70 ASN CB . 7300 1 787 . 1 1 70 70 ASN N N 15 120.15 0.02 . 1 . . . . 70 ASN N . 7300 1 788 . 1 1 70 70 ASN ND2 N 15 113.89 0.03 . 1 . . . . 70 ASN ND2 . 7300 1 789 . 1 1 71 71 GLN H H 1 9.09 0.01 . 1 . . . . 71 GLN H . 7300 1 790 . 1 1 71 71 GLN HA H 1 4.10 0.01 . 1 . . . . 71 GLN HA . 7300 1 791 . 1 1 71 71 GLN HB2 H 1 2.27 0.01 . 2 . . . . 71 GLN HB2 . 7300 1 792 . 1 1 71 71 GLN HB3 H 1 1.99 0.01 . 2 . . . . 71 GLN HB3 . 7300 1 793 . 1 1 71 71 GLN HG2 H 1 2.74 0.01 . 2 . . . . 71 GLN HG2 . 7300 1 794 . 1 1 71 71 GLN HG3 H 1 2.48 0.01 . 2 . . . . 71 GLN HG3 . 7300 1 795 . 1 1 71 71 GLN HE21 H 1 6.90 0.01 . 2 . . . . 71 GLN HE21 . 7300 1 796 . 1 1 71 71 GLN HE22 H 1 7.52 0.01 . 2 . . . . 71 GLN HE22 . 7300 1 797 . 1 1 71 71 GLN C C 13 171.26 0.05 . 1 . . . . 71 GLN C . 7300 1 798 . 1 1 71 71 GLN CA C 13 56.81 0.07 . 1 . . . . 71 GLN CA . 7300 1 799 . 1 1 71 71 GLN CB C 13 26.78 0.05 . 1 . . . . 71 GLN CB . 7300 1 800 . 1 1 71 71 GLN CG C 13 32.19 0.06 . 1 . . . . 71 GLN CG . 7300 1 801 . 1 1 71 71 GLN N N 15 123.33 0.02 . 1 . . . . 71 GLN N . 7300 1 802 . 1 1 71 71 GLN NE2 N 15 111.19 0.03 . 1 . . . . 71 GLN NE2 . 7300 1 803 . 1 1 72 72 LEU H H 1 8.82 0.01 . 1 . . . . 72 LEU H . 7300 1 804 . 1 1 72 72 LEU HA H 1 4.30 0.01 . 1 . . . . 72 LEU HA . 7300 1 805 . 1 1 72 72 LEU HB2 H 1 2.18 0.01 . 2 . . . . 72 LEU HB2 . 7300 1 806 . 1 1 72 72 LEU HB3 H 1 1.47 0.01 . 2 . . . . 72 LEU HB3 . 7300 1 807 . 1 1 72 72 LEU HG H 1 1.22 0.01 . 1 . . . . 72 LEU HG . 7300 1 808 . 1 1 72 72 LEU HD11 H 1 1.68 0.01 . 1 . . . . 72 LEU HD1 . 7300 1 809 . 1 1 72 72 LEU HD12 H 1 1.68 0.01 . 1 . . . . 72 LEU HD1 . 7300 1 810 . 1 1 72 72 LEU HD13 H 1 1.68 0.01 . 1 . . . . 72 LEU HD1 . 7300 1 811 . 1 1 72 72 LEU HD21 H 1 0.89 0.01 . 1 . . . . 72 LEU HD2 . 7300 1 812 . 1 1 72 72 LEU HD22 H 1 0.89 0.01 . 1 . . . . 72 LEU HD2 . 7300 1 813 . 1 1 72 72 LEU HD23 H 1 0.89 0.01 . 1 . . . . 72 LEU HD2 . 7300 1 814 . 1 1 72 72 LEU C C 13 172.36 0.05 . 1 . . . . 72 LEU C . 7300 1 815 . 1 1 72 72 LEU CA C 13 56.14 0.06 . 1 . . . . 72 LEU CA . 7300 1 816 . 1 1 72 72 LEU CB C 13 40.57 0.10 . 1 . . . . 72 LEU CB . 7300 1 817 . 1 1 72 72 LEU CG C 13 25.66 0.04 . 1 . . . . 72 LEU CG . 7300 1 818 . 1 1 72 72 LEU CD1 C 13 24.84 0.10 . 2 . . . . 72 LEU CD1 . 7300 1 819 . 1 1 72 72 LEU CD2 C 13 22.35 0.04 . 2 . . . . 72 LEU CD2 . 7300 1 820 . 1 1 72 72 LEU N N 15 121.05 0.01 . 1 . . . . 72 LEU N . 7300 1 821 . 1 1 73 73 GLU H H 1 7.79 0.01 . 1 . . . . 73 GLU H . 7300 1 822 . 1 1 73 73 GLU HA H 1 4.12 0.01 . 1 . . . . 73 GLU HA . 7300 1 823 . 1 1 73 73 GLU HB2 H 1 2.18 0.01 . 1 . . . . 73 GLU HB2 . 7300 1 824 . 1 1 73 73 GLU HB3 H 1 2.18 0.01 . 1 . . . . 73 GLU HB3 . 7300 1 825 . 1 1 73 73 GLU HG2 H 1 2.33 0.01 . 1 . . . . 73 GLU HG2 . 7300 1 826 . 1 1 73 73 GLU HG3 H 1 2.33 0.01 . 1 . . . . 73 GLU HG3 . 7300 1 827 . 1 1 73 73 GLU C C 13 170.72 0.05 . 1 . . . . 73 GLU C . 7300 1 828 . 1 1 73 73 GLU CA C 13 57.63 0.06 . 1 . . . . 73 GLU CA . 7300 1 829 . 1 1 73 73 GLU CB C 13 27.25 0.08 . 1 . . . . 73 GLU CB . 7300 1 830 . 1 1 73 73 GLU CG C 13 33.95 0.07 . 1 . . . . 73 GLU CG . 7300 1 831 . 1 1 73 73 GLU N N 15 118.27 0.02 . 1 . . . . 73 GLU N . 7300 1 832 . 1 1 74 74 ALA H H 1 7.82 0.01 . 1 . . . . 74 ALA H . 7300 1 833 . 1 1 74 74 ALA HA H 1 4.20 0.01 . 1 . . . . 74 ALA HA . 7300 1 834 . 1 1 74 74 ALA HB1 H 1 1.59 0.01 . 1 . . . . 74 ALA HB . 7300 1 835 . 1 1 74 74 ALA HB2 H 1 1.59 0.01 . 1 . . . . 74 ALA HB . 7300 1 836 . 1 1 74 74 ALA HB3 H 1 1.59 0.01 . 1 . . . . 74 ALA HB . 7300 1 837 . 1 1 74 74 ALA C C 13 169.53 0.05 . 1 . . . . 74 ALA C . 7300 1 838 . 1 1 74 74 ALA CA C 13 53.41 0.07 . 1 . . . . 74 ALA CA . 7300 1 839 . 1 1 74 74 ALA CB C 13 16.09 0.09 . 1 . . . . 74 ALA CB . 7300 1 840 . 1 1 74 74 ALA N N 15 122.42 0.02 . 1 . . . . 74 ALA N . 7300 1 841 . 1 1 75 75 PHE H H 1 8.62 0.01 . 1 . . . . 75 PHE H . 7300 1 842 . 1 1 75 75 PHE HA H 1 4.46 0.01 . 1 . . . . 75 PHE HA . 7300 1 843 . 1 1 75 75 PHE HB2 H 1 3.32 0.01 . 2 . . . . 75 PHE HB2 . 7300 1 844 . 1 1 75 75 PHE HB3 H 1 3.19 0.01 . 2 . . . . 75 PHE HB3 . 7300 1 845 . 1 1 75 75 PHE HZ H 1 7.27 0.01 . 1 . . . . 75 PHE HZ . 7300 1 846 . 1 1 75 75 PHE C C 13 172.39 0.05 . 1 . . . . 75 PHE C . 7300 1 847 . 1 1 75 75 PHE CA C 13 58.91 0.06 . 1 . . . . 75 PHE CA . 7300 1 848 . 1 1 75 75 PHE CB C 13 37.83 0.18 . 1 . . . . 75 PHE CB . 7300 1 849 . 1 1 75 75 PHE CZ C 13 129.05 0.05 . 1 . . . . 75 PHE CZ . 7300 1 850 . 1 1 75 75 PHE N N 15 121.45 0.02 . 1 . . . . 75 PHE N . 7300 1 851 . 1 1 76 76 LEU H H 1 9.09 0.01 . 1 . . . . 76 LEU H . 7300 1 852 . 1 1 76 76 LEU HA H 1 3.71 0.01 . 1 . . . . 76 LEU HA . 7300 1 853 . 1 1 76 76 LEU HB2 H 1 1.29 0.01 . 2 . . . . 76 LEU HB2 . 7300 1 854 . 1 1 76 76 LEU HB3 H 1 2.13 0.01 . 2 . . . . 76 LEU HB3 . 7300 1 855 . 1 1 76 76 LEU HG H 1 2.11 0.01 . 1 . . . . 76 LEU HG . 7300 1 856 . 1 1 76 76 LEU HD11 H 1 0.81 0.01 . 1 . . . . 76 LEU HD1 . 7300 1 857 . 1 1 76 76 LEU HD12 H 1 0.81 0.01 . 1 . . . . 76 LEU HD1 . 7300 1 858 . 1 1 76 76 LEU HD13 H 1 0.81 0.01 . 1 . . . . 76 LEU HD1 . 7300 1 859 . 1 1 76 76 LEU HD21 H 1 1.03 0.01 . 1 . . . . 76 LEU HD2 . 7300 1 860 . 1 1 76 76 LEU HD22 H 1 1.03 0.01 . 1 . . . . 76 LEU HD2 . 7300 1 861 . 1 1 76 76 LEU HD23 H 1 1.03 0.01 . 1 . . . . 76 LEU HD2 . 7300 1 862 . 1 1 76 76 LEU C C 13 170.31 0.05 . 1 . . . . 76 LEU C . 7300 1 863 . 1 1 76 76 LEU CA C 13 55.94 0.05 . 1 . . . . 76 LEU CA . 7300 1 864 . 1 1 76 76 LEU CB C 13 39.25 0.04 . 1 . . . . 76 LEU CB . 7300 1 865 . 1 1 76 76 LEU CG C 13 24.95 0.07 . 1 . . . . 76 LEU CG . 7300 1 866 . 1 1 76 76 LEU CD1 C 13 20.20 0.04 . 2 . . . . 76 LEU CD1 . 7300 1 867 . 1 1 76 76 LEU CD2 C 13 24.27 0.07 . 2 . . . . 76 LEU CD2 . 7300 1 868 . 1 1 76 76 LEU N N 15 119.19 0.01 . 1 . . . . 76 LEU N . 7300 1 869 . 1 1 77 77 THR H H 1 8.55 0.01 . 1 . . . . 77 THR H . 7300 1 870 . 1 1 77 77 THR HA H 1 3.87 0.01 . 1 . . . . 77 THR HA . 7300 1 871 . 1 1 77 77 THR HB H 1 4.30 0.01 . 1 . . . . 77 THR HB . 7300 1 872 . 1 1 77 77 THR HG21 H 1 1.22 0.02 . 1 . . . . 77 THR HG2 . 7300 1 873 . 1 1 77 77 THR HG22 H 1 1.22 0.02 . 1 . . . . 77 THR HG2 . 7300 1 874 . 1 1 77 77 THR HG23 H 1 1.22 0.02 . 1 . . . . 77 THR HG2 . 7300 1 875 . 1 1 77 77 THR C C 13 172.91 0.05 . 1 . . . . 77 THR C . 7300 1 876 . 1 1 77 77 THR CA C 13 65.37 0.16 . 1 . . . . 77 THR CA . 7300 1 877 . 1 1 77 77 THR CB C 13 66.34 0.16 . 1 . . . . 77 THR CB . 7300 1 878 . 1 1 77 77 THR CG2 C 13 19.32 0.16 . 1 . . . . 77 THR CG2 . 7300 1 879 . 1 1 77 77 THR N N 15 117.42 0.03 . 1 . . . . 77 THR N . 7300 1 880 . 1 1 78 78 ALA H H 1 7.76 0.01 . 1 . . . . 78 ALA H . 7300 1 881 . 1 1 78 78 ALA HA H 1 4.09 0.01 . 1 . . . . 78 ALA HA . 7300 1 882 . 1 1 78 78 ALA HB1 H 1 1.51 0.01 . 1 . . . . 78 ALA HB . 7300 1 883 . 1 1 78 78 ALA HB2 H 1 1.51 0.01 . 1 . . . . 78 ALA HB . 7300 1 884 . 1 1 78 78 ALA HB3 H 1 1.51 0.01 . 1 . . . . 78 ALA HB . 7300 1 885 . 1 1 78 78 ALA C C 13 169.20 0.05 . 1 . . . . 78 ALA C . 7300 1 886 . 1 1 78 78 ALA CA C 13 53.63 0.09 . 1 . . . . 78 ALA CA . 7300 1 887 . 1 1 78 78 ALA CB C 13 15.46 0.06 . 1 . . . . 78 ALA CB . 7300 1 888 . 1 1 78 78 ALA N N 15 124.74 0.02 . 1 . . . . 78 ALA N . 7300 1 889 . 1 1 79 79 GLN H H 1 7.88 0.01 . 1 . . . . 79 GLN H . 7300 1 890 . 1 1 79 79 GLN HA H 1 3.83 0.01 . 1 . . . . 79 GLN HA . 7300 1 891 . 1 1 79 79 GLN HB2 H 1 2.15 0.01 . 2 . . . . 79 GLN HB2 . 7300 1 892 . 1 1 79 79 GLN HB3 H 1 1.85 0.01 . 2 . . . . 79 GLN HB3 . 7300 1 893 . 1 1 79 79 GLN HG2 H 1 1.91 0.01 . 2 . . . . 79 GLN HG2 . 7300 1 894 . 1 1 79 79 GLN HG3 H 1 1.37 0.01 . 2 . . . . 79 GLN HG3 . 7300 1 895 . 1 1 79 79 GLN HE21 H 1 6.17 0.01 . 2 . . . . 79 GLN HE21 . 7300 1 896 . 1 1 79 79 GLN HE22 H 1 6.88 0.01 . 2 . . . . 79 GLN HE22 . 7300 1 897 . 1 1 79 79 GLN C C 13 172.37 0.05 . 1 . . . . 79 GLN C . 7300 1 898 . 1 1 79 79 GLN CA C 13 55.45 0.07 . 1 . . . . 79 GLN CA . 7300 1 899 . 1 1 79 79 GLN CB C 13 25.82 0.05 . 1 . . . . 79 GLN CB . 7300 1 900 . 1 1 79 79 GLN CG C 13 31.09 0.04 . 1 . . . . 79 GLN CG . 7300 1 901 . 1 1 79 79 GLN N N 15 115.60 0.01 . 1 . . . . 79 GLN N . 7300 1 902 . 1 1 79 79 GLN NE2 N 15 114.35 0.03 . 1 . . . . 79 GLN NE2 . 7300 1 903 . 1 1 80 80 THR H H 1 7.79 0.01 . 1 . . . . 80 THR H . 7300 1 904 . 1 1 80 80 THR HA H 1 4.98 0.01 . 1 . . . . 80 THR HA . 7300 1 905 . 1 1 80 80 THR HB H 1 4.30 0.01 . 1 . . . . 80 THR HB . 7300 1 906 . 1 1 80 80 THR HG21 H 1 1.21 0.02 . 1 . . . . 80 THR HG2 . 7300 1 907 . 1 1 80 80 THR HG22 H 1 1.21 0.02 . 1 . . . . 80 THR HG2 . 7300 1 908 . 1 1 80 80 THR HG23 H 1 1.21 0.02 . 1 . . . . 80 THR HG2 . 7300 1 909 . 1 1 80 80 THR C C 13 174.47 0.05 . 1 . . . . 80 THR C . 7300 1 910 . 1 1 80 80 THR CA C 13 61.25 0.07 . 1 . . . . 80 THR CA . 7300 1 911 . 1 1 80 80 THR CB C 13 67.95 0.10 . 1 . . . . 80 THR CB . 7300 1 912 . 1 1 80 80 THR CG2 C 13 19.40 0.12 . 1 . . . . 80 THR CG2 . 7300 1 913 . 1 1 80 80 THR N N 15 112.43 0.01 . 1 . . . . 80 THR N . 7300 1 914 . 1 1 81 81 LYS H H 1 7.29 0.01 . 1 . . . . 81 LYS H . 7300 1 915 . 1 1 81 81 LYS HA H 1 4.33 0.01 . 1 . . . . 81 LYS HA . 7300 1 916 . 1 1 81 81 LYS HB2 H 1 2.00 0.01 . 2 . . . . 81 LYS HB2 . 7300 1 917 . 1 1 81 81 LYS HB3 H 1 1.73 0.01 . 2 . . . . 81 LYS HB3 . 7300 1 918 . 1 1 81 81 LYS HG2 H 1 1.55 0.01 . 2 . . . . 81 LYS HG2 . 7300 1 919 . 1 1 81 81 LYS HG3 H 1 1.45 0.02 . 2 . . . . 81 LYS HG3 . 7300 1 920 . 1 1 81 81 LYS HD2 H 1 1.71 0.01 . 1 . . . . 81 LYS HD2 . 7300 1 921 . 1 1 81 81 LYS HD3 H 1 1.71 0.01 . 1 . . . . 81 LYS HD3 . 7300 1 922 . 1 1 81 81 LYS HE2 H 1 2.93 0.01 . 1 . . . . 81 LYS HE2 . 7300 1 923 . 1 1 81 81 LYS HE3 H 1 2.93 0.01 . 1 . . . . 81 LYS HE3 . 7300 1 924 . 1 1 81 81 LYS C C 13 173.55 0.05 . 1 . . . . 81 LYS C . 7300 1 925 . 1 1 81 81 LYS CA C 13 54.40 0.05 . 1 . . . . 81 LYS CA . 7300 1 926 . 1 1 81 81 LYS CB C 13 31.16 0.06 . 1 . . . . 81 LYS CB . 7300 1 927 . 1 1 81 81 LYS CG C 13 23.15 0.10 . 1 . . . . 81 LYS CG . 7300 1 928 . 1 1 81 81 LYS CD C 13 27.02 0.05 . 1 . . . . 81 LYS CD . 7300 1 929 . 1 1 81 81 LYS CE C 13 40.21 0.06 . 1 . . . . 81 LYS CE . 7300 1 930 . 1 1 81 81 LYS N N 15 119.52 0.01 . 1 . . . . 81 LYS N . 7300 1 931 . 1 1 82 82 LYS H H 1 7.03 0.01 . 1 . . . . 82 LYS H . 7300 1 932 . 1 1 82 82 LYS HA H 1 4.31 0.01 . 1 . . . . 82 LYS HA . 7300 1 933 . 1 1 82 82 LYS HB2 H 1 1.75 0.01 . 2 . . . . 82 LYS HB2 . 7300 1 934 . 1 1 82 82 LYS HB3 H 1 1.60 0.01 . 2 . . . . 82 LYS HB3 . 7300 1 935 . 1 1 82 82 LYS HG2 H 1 1.46 0.01 . 2 . . . . 82 LYS HG2 . 7300 1 936 . 1 1 82 82 LYS HG3 H 1 1.31 0.01 . 2 . . . . 82 LYS HG3 . 7300 1 937 . 1 1 82 82 LYS HD2 H 1 1.64 0.01 . 1 . . . . 82 LYS HD2 . 7300 1 938 . 1 1 82 82 LYS HD3 H 1 1.64 0.01 . 1 . . . . 82 LYS HD3 . 7300 1 939 . 1 1 82 82 LYS HE2 H 1 2.92 0.01 . 1 . . . . 82 LYS HE2 . 7300 1 940 . 1 1 82 82 LYS HE3 H 1 2.92 0.01 . 1 . . . . 82 LYS HE3 . 7300 1 941 . 1 1 82 82 LYS C C 13 173.80 0.05 . 1 . . . . 82 LYS C . 7300 1 942 . 1 1 82 82 LYS CA C 13 53.47 0.10 . 1 . . . . 82 LYS CA . 7300 1 943 . 1 1 82 82 LYS CB C 13 31.74 0.05 . 1 . . . . 82 LYS CB . 7300 1 944 . 1 1 82 82 LYS CG C 13 21.85 0.08 . 1 . . . . 82 LYS CG . 7300 1 945 . 1 1 82 82 LYS CD C 13 27.18 0.09 . 1 . . . . 82 LYS CD . 7300 1 946 . 1 1 82 82 LYS CE C 13 40.01 0.14 . 1 . . . . 82 LYS CE . 7300 1 947 . 1 1 82 82 LYS N N 15 118.56 0.01 . 1 . . . . 82 LYS N . 7300 1 948 . 1 1 83 83 GLN H H 1 8.76 0.01 . 1 . . . . 83 GLN H . 7300 1 949 . 1 1 83 83 GLN HA H 1 4.21 0.01 . 1 . . . . 83 GLN HA . 7300 1 950 . 1 1 83 83 GLN HB2 H 1 2.05 0.01 . 1 . . . . 83 GLN HB2 . 7300 1 951 . 1 1 83 83 GLN HB3 H 1 2.05 0.01 . 1 . . . . 83 GLN HB3 . 7300 1 952 . 1 1 83 83 GLN HG2 H 1 2.43 0.01 . 1 . . . . 83 GLN HG2 . 7300 1 953 . 1 1 83 83 GLN HG3 H 1 2.43 0.01 . 1 . . . . 83 GLN HG3 . 7300 1 954 . 1 1 83 83 GLN HE21 H 1 6.91 0.01 . 2 . . . . 83 GLN HE21 . 7300 1 955 . 1 1 83 83 GLN HE22 H 1 7.60 0.01 . 2 . . . . 83 GLN HE22 . 7300 1 956 . 1 1 83 83 GLN C C 13 172.54 0.05 . 1 . . . . 83 GLN C . 7300 1 957 . 1 1 83 83 GLN CA C 13 55.17 0.08 . 1 . . . . 83 GLN CA . 7300 1 958 . 1 1 83 83 GLN CB C 13 26.14 0.09 . 1 . . . . 83 GLN CB . 7300 1 959 . 1 1 83 83 GLN CG C 13 31.79 0.05 . 1 . . . . 83 GLN CG . 7300 1 960 . 1 1 83 83 GLN N N 15 125.15 0.01 . 1 . . . . 83 GLN N . 7300 1 961 . 1 1 83 83 GLN NE2 N 15 112.50 0.03 . 1 . . . . 83 GLN NE2 . 7300 1 962 . 1 1 84 84 GLY H H 1 9.18 0.01 . 1 . . . . 84 GLY H . 7300 1 963 . 1 1 84 84 GLY HA2 H 1 3.89 0.01 . 2 . . . . 84 GLY HA2 . 7300 1 964 . 1 1 84 84 GLY HA3 H 1 4.03 0.01 . 2 . . . . 84 GLY HA3 . 7300 1 965 . 1 1 84 84 GLY C C 13 174.80 0.05 . 1 . . . . 84 GLY C . 7300 1 966 . 1 1 84 84 GLY CA C 13 44.05 0.10 . 1 . . . . 84 GLY CA . 7300 1 967 . 1 1 84 84 GLY N N 15 115.42 0.01 . 1 . . . . 84 GLY N . 7300 1 968 . 1 1 85 85 GLY H H 1 7.71 0.01 . 1 . . . . 85 GLY H . 7300 1 969 . 1 1 85 85 GLY HA2 H 1 4.29 0.01 . 2 . . . . 85 GLY HA2 . 7300 1 970 . 1 1 85 85 GLY HA3 H 1 4.05 0.01 . 2 . . . . 85 GLY HA3 . 7300 1 971 . 1 1 85 85 GLY C C 13 175.67 0.05 . 1 . . . . 85 GLY C . 7300 1 972 . 1 1 85 85 GLY CA C 13 42.62 0.09 . 1 . . . . 85 GLY CA . 7300 1 973 . 1 1 85 85 GLY N N 15 108.38 0.01 . 1 . . . . 85 GLY N . 7300 1 974 . 1 1 86 86 ILE H H 1 7.33 0.01 . 1 . . . . 86 ILE H . 7300 1 975 . 1 1 86 86 ILE HA H 1 4.89 0.01 . 1 . . . . 86 ILE HA . 7300 1 976 . 1 1 86 86 ILE HB H 1 2.30 0.01 . 1 . . . . 86 ILE HB . 7300 1 977 . 1 1 86 86 ILE HG12 H 1 0.68 0.01 . 2 . . . . 86 ILE HG12 . 7300 1 978 . 1 1 86 86 ILE HG13 H 1 1.34 0.01 . 2 . . . . 86 ILE HG13 . 7300 1 979 . 1 1 86 86 ILE HG21 H 1 0.76 0.01 . 1 . . . . 86 ILE HG2 . 7300 1 980 . 1 1 86 86 ILE HG22 H 1 0.76 0.01 . 1 . . . . 86 ILE HG2 . 7300 1 981 . 1 1 86 86 ILE HG23 H 1 0.76 0.01 . 1 . . . . 86 ILE HG2 . 7300 1 982 . 1 1 86 86 ILE HD11 H 1 0.69 0.01 . 1 . . . . 86 ILE HD1 . 7300 1 983 . 1 1 86 86 ILE HD12 H 1 0.69 0.01 . 1 . . . . 86 ILE HD1 . 7300 1 984 . 1 1 86 86 ILE HD13 H 1 0.69 0.01 . 1 . . . . 86 ILE HD1 . 7300 1 985 . 1 1 86 86 ILE C C 13 174.82 0.05 . 1 . . . . 86 ILE C . 7300 1 986 . 1 1 86 86 ILE CA C 13 57.71 0.08 . 1 . . . . 86 ILE CA . 7300 1 987 . 1 1 86 86 ILE CB C 13 38.29 0.03 . 1 . . . . 86 ILE CB . 7300 1 988 . 1 1 86 86 ILE CG1 C 13 22.63 0.06 . 1 . . . . 86 ILE CG1 . 7300 1 989 . 1 1 86 86 ILE CG2 C 13 16.16 0.04 . 1 . . . . 86 ILE CG2 . 7300 1 990 . 1 1 86 86 ILE CD1 C 13 12.62 0.02 . 1 . . . . 86 ILE CD1 . 7300 1 991 . 1 1 86 86 ILE N N 15 113.74 0.01 . 1 . . . . 86 ILE N . 7300 1 992 . 1 1 87 87 THR H H 1 8.28 0.01 . 1 . . . . 87 THR H . 7300 1 993 . 1 1 87 87 THR HA H 1 4.77 0.01 . 1 . . . . 87 THR HA . 7300 1 994 . 1 1 87 87 THR HB H 1 4.84 0.01 . 1 . . . . 87 THR HB . 7300 1 995 . 1 1 87 87 THR HG21 H 1 1.31 0.01 . 1 . . . . 87 THR HG2 . 7300 1 996 . 1 1 87 87 THR HG22 H 1 1.31 0.01 . 1 . . . . 87 THR HG2 . 7300 1 997 . 1 1 87 87 THR HG23 H 1 1.31 0.01 . 1 . . . . 87 THR HG2 . 7300 1 998 . 1 1 87 87 THR C C 13 173.55 0.05 . 1 . . . . 87 THR C . 7300 1 999 . 1 1 87 87 THR CA C 13 58.02 0.08 . 1 . . . . 87 THR CA . 7300 1 1000 . 1 1 87 87 THR CB C 13 69.40 0.11 . 1 . . . . 87 THR CB . 7300 1 1001 . 1 1 87 87 THR CG2 C 13 19.91 0.09 . 1 . . . . 87 THR CG2 . 7300 1 1002 . 1 1 87 87 THR N N 15 109.53 0.02 . 1 . . . . 87 THR N . 7300 1 1003 . 1 1 88 88 SER H H 1 9.32 0.01 . 1 . . . . 88 SER H . 7300 1 1004 . 1 1 88 88 SER HA H 1 4.18 0.01 . 1 . . . . 88 SER HA . 7300 1 1005 . 1 1 88 88 SER HB2 H 1 4.02 0.01 . 1 . . . . 88 SER HB2 . 7300 1 1006 . 1 1 88 88 SER HB3 H 1 4.02 0.01 . 1 . . . . 88 SER HB3 . 7300 1 1007 . 1 1 88 88 SER C C 13 172.63 0.05 . 1 . . . . 88 SER C . 7300 1 1008 . 1 1 88 88 SER CA C 13 60.25 0.10 . 1 . . . . 88 SER CA . 7300 1 1009 . 1 1 88 88 SER N N 15 116.94 0.01 . 1 . . . . 88 SER N . 7300 1 1010 . 1 1 89 89 ASP H H 1 8.46 0.01 . 1 . . . . 89 ASP H . 7300 1 1011 . 1 1 89 89 ASP HA H 1 4.56 0.01 . 1 . . . . 89 ASP HA . 7300 1 1012 . 1 1 89 89 ASP HB2 H 1 2.71 0.01 . 1 . . . . 89 ASP HB2 . 7300 1 1013 . 1 1 89 89 ASP HB3 H 1 2.71 0.01 . 1 . . . . 89 ASP HB3 . 7300 1 1014 . 1 1 89 89 ASP C C 13 171.22 0.05 . 1 . . . . 89 ASP C . 7300 1 1015 . 1 1 89 89 ASP CA C 13 55.37 0.06 . 1 . . . . 89 ASP CA . 7300 1 1016 . 1 1 89 89 ASP CB C 13 38.69 0.05 . 1 . . . . 89 ASP CB . 7300 1 1017 . 1 1 89 89 ASP N N 15 121.94 0.02 . 1 . . . . 89 ASP N . 7300 1 1018 . 1 1 90 90 GLN H H 1 7.72 0.01 . 1 . . . . 90 GLN H . 7300 1 1019 . 1 1 90 90 GLN HA H 1 3.94 0.01 . 1 . . . . 90 GLN HA . 7300 1 1020 . 1 1 90 90 GLN HB2 H 1 2.62 0.01 . 2 . . . . 90 GLN HB2 . 7300 1 1021 . 1 1 90 90 GLN HB3 H 1 1.61 0.01 . 2 . . . . 90 GLN HB3 . 7300 1 1022 . 1 1 90 90 GLN HG2 H 1 2.65 0.01 . 2 . . . . 90 GLN HG2 . 7300 1 1023 . 1 1 90 90 GLN HG3 H 1 2.49 0.01 . 2 . . . . 90 GLN HG3 . 7300 1 1024 . 1 1 90 90 GLN HE21 H 1 6.90 0.01 . 2 . . . . 90 GLN HE21 . 7300 1 1025 . 1 1 90 90 GLN HE22 H 1 7.64 0.01 . 2 . . . . 90 GLN HE22 . 7300 1 1026 . 1 1 90 90 GLN C C 13 171.75 0.05 . 1 . . . . 90 GLN C . 7300 1 1027 . 1 1 90 90 GLN CA C 13 56.91 0.07 . 1 . . . . 90 GLN CA . 7300 1 1028 . 1 1 90 90 GLN CB C 13 25.77 0.06 . 1 . . . . 90 GLN CB . 7300 1 1029 . 1 1 90 90 GLN CG C 13 32.54 0.09 . 1 . . . . 90 GLN CG . 7300 1 1030 . 1 1 90 90 GLN N N 15 119.31 0.03 . 1 . . . . 90 GLN N . 7300 1 1031 . 1 1 90 90 GLN NE2 N 15 108.86 0.03 . 1 . . . . 90 GLN NE2 . 7300 1 1032 . 1 1 91 91 ALA H H 1 8.70 0.01 . 1 . . . . 91 ALA H . 7300 1 1033 . 1 1 91 91 ALA HA H 1 3.87 0.01 . 1 . . . . 91 ALA HA . 7300 1 1034 . 1 1 91 91 ALA HB1 H 1 1.48 0.01 . 1 . . . . 91 ALA HB . 7300 1 1035 . 1 1 91 91 ALA HB2 H 1 1.48 0.01 . 1 . . . . 91 ALA HB . 7300 1 1036 . 1 1 91 91 ALA HB3 H 1 1.48 0.01 . 1 . . . . 91 ALA HB . 7300 1 1037 . 1 1 91 91 ALA C C 13 171.47 0.05 . 1 . . . . 91 ALA C . 7300 1 1038 . 1 1 91 91 ALA CA C 13 53.65 0.07 . 1 . . . . 91 ALA CA . 7300 1 1039 . 1 1 91 91 ALA CB C 13 16.10 0.06 . 1 . . . . 91 ALA CB . 7300 1 1040 . 1 1 91 91 ALA N N 15 121.02 0.01 . 1 . . . . 91 ALA N . 7300 1 1041 . 1 1 92 92 ALA H H 1 7.85 0.01 . 1 . . . . 92 ALA H . 7300 1 1042 . 1 1 92 92 ALA HA H 1 4.25 0.01 . 1 . . . . 92 ALA HA . 7300 1 1043 . 1 1 92 92 ALA HB1 H 1 1.65 0.01 . 1 . . . . 92 ALA HB . 7300 1 1044 . 1 1 92 92 ALA HB2 H 1 1.65 0.01 . 1 . . . . 92 ALA HB . 7300 1 1045 . 1 1 92 92 ALA HB3 H 1 1.65 0.01 . 1 . . . . 92 ALA HB . 7300 1 1046 . 1 1 92 92 ALA C C 13 169.43 0.05 . 1 . . . . 92 ALA C . 7300 1 1047 . 1 1 92 92 ALA CA C 13 53.24 0.08 . 1 . . . . 92 ALA CA . 7300 1 1048 . 1 1 92 92 ALA CB C 13 16.14 0.07 . 1 . . . . 92 ALA CB . 7300 1 1049 . 1 1 92 92 ALA N N 15 119.70 0.01 . 1 . . . . 92 ALA N . 7300 1 1050 . 1 1 93 93 VAL H H 1 7.59 0.01 . 1 . . . . 93 VAL H . 7300 1 1051 . 1 1 93 93 VAL HA H 1 3.75 0.01 . 1 . . . . 93 VAL HA . 7300 1 1052 . 1 1 93 93 VAL HB H 1 2.37 0.01 . 1 . . . . 93 VAL HB . 7300 1 1053 . 1 1 93 93 VAL HG11 H 1 1.03 0.01 . 1 . . . . 93 VAL HG1 . 7300 1 1054 . 1 1 93 93 VAL HG12 H 1 1.03 0.01 . 1 . . . . 93 VAL HG1 . 7300 1 1055 . 1 1 93 93 VAL HG13 H 1 1.03 0.01 . 1 . . . . 93 VAL HG1 . 7300 1 1056 . 1 1 93 93 VAL HG21 H 1 1.28 0.01 . 1 . . . . 93 VAL HG2 . 7300 1 1057 . 1 1 93 93 VAL HG22 H 1 1.28 0.01 . 1 . . . . 93 VAL HG2 . 7300 1 1058 . 1 1 93 93 VAL HG23 H 1 1.28 0.01 . 1 . . . . 93 VAL HG2 . 7300 1 1059 . 1 1 93 93 VAL C C 13 171.23 0.05 . 1 . . . . 93 VAL C . 7300 1 1060 . 1 1 93 93 VAL CA C 13 64.58 0.08 . 1 . . . . 93 VAL CA . 7300 1 1061 . 1 1 93 93 VAL CB C 13 30.19 0.05 . 1 . . . . 93 VAL CB . 7300 1 1062 . 1 1 93 93 VAL CG1 C 13 19.66 0.01 . 2 . . . . 93 VAL CG1 . 7300 1 1063 . 1 1 93 93 VAL CG2 C 13 21.10 0.06 . 2 . . . . 93 VAL CG2 . 7300 1 1064 . 1 1 93 93 VAL N N 15 119.61 0.02 . 1 . . . . 93 VAL N . 7300 1 1065 . 1 1 94 94 ILE H H 1 8.44 0.01 . 1 . . . . 94 ILE H . 7300 1 1066 . 1 1 94 94 ILE HA H 1 3.70 0.01 . 1 . . . . 94 ILE HA . 7300 1 1067 . 1 1 94 94 ILE HB H 1 1.90 0.01 . 1 . . . . 94 ILE HB . 7300 1 1068 . 1 1 94 94 ILE HG12 H 1 0.92 0.01 . 2 . . . . 94 ILE HG12 . 7300 1 1069 . 1 1 94 94 ILE HG13 H 1 1.98 0.01 . 2 . . . . 94 ILE HG13 . 7300 1 1070 . 1 1 94 94 ILE HG21 H 1 0.95 0.01 . 1 . . . . 94 ILE HG2 . 7300 1 1071 . 1 1 94 94 ILE HG22 H 1 0.95 0.01 . 1 . . . . 94 ILE HG2 . 7300 1 1072 . 1 1 94 94 ILE HG23 H 1 0.95 0.01 . 1 . . . . 94 ILE HG2 . 7300 1 1073 . 1 1 94 94 ILE HD11 H 1 0.82 0.01 . 1 . . . . 94 ILE HD1 . 7300 1 1074 . 1 1 94 94 ILE HD12 H 1 0.82 0.01 . 1 . . . . 94 ILE HD1 . 7300 1 1075 . 1 1 94 94 ILE HD13 H 1 0.82 0.01 . 1 . . . . 94 ILE HD1 . 7300 1 1076 . 1 1 94 94 ILE C C 13 172.93 0.05 . 1 . . . . 94 ILE C . 7300 1 1077 . 1 1 94 94 ILE CA C 13 64.06 0.08 . 1 . . . . 94 ILE CA . 7300 1 1078 . 1 1 94 94 ILE CB C 13 36.09 0.06 . 1 . . . . 94 ILE CB . 7300 1 1079 . 1 1 94 94 ILE CG1 C 13 27.92 0.04 . 1 . . . . 94 ILE CG1 . 7300 1 1080 . 1 1 94 94 ILE CG2 C 13 16.89 0.05 . 1 . . . . 94 ILE CG2 . 7300 1 1081 . 1 1 94 94 ILE CD1 C 13 12.55 0.02 . 1 . . . . 94 ILE CD1 . 7300 1 1082 . 1 1 94 94 ILE N N 15 121.76 0.01 . 1 . . . . 94 ILE N . 7300 1 1083 . 1 1 95 95 SER H H 1 8.68 0.01 . 1 . . . . 95 SER H . 7300 1 1084 . 1 1 95 95 SER HA H 1 4.24 0.01 . 1 . . . . 95 SER HA . 7300 1 1085 . 1 1 95 95 SER HB2 H 1 4.05 0.01 . 1 . . . . 95 SER HB2 . 7300 1 1086 . 1 1 95 95 SER HB3 H 1 4.05 0.01 . 1 . . . . 95 SER HB3 . 7300 1 1087 . 1 1 95 95 SER C C 13 173.57 0.05 . 1 . . . . 95 SER C . 7300 1 1088 . 1 1 95 95 SER CA C 13 59.86 0.07 . 1 . . . . 95 SER CA . 7300 1 1089 . 1 1 95 95 SER CB C 13 60.84 0.09 . 1 . . . . 95 SER CB . 7300 1 1090 . 1 1 95 95 SER N N 15 114.43 0.02 . 1 . . . . 95 SER N . 7300 1 1091 . 1 1 96 96 LYS H H 1 7.84 0.01 . 1 . . . . 96 LYS H . 7300 1 1092 . 1 1 96 96 LYS HA H 1 4.03 0.01 . 1 . . . . 96 LYS HA . 7300 1 1093 . 1 1 96 96 LYS HB2 H 1 2.05 0.01 . 1 . . . . 96 LYS HB2 . 7300 1 1094 . 1 1 96 96 LYS HB3 H 1 2.05 0.01 . 1 . . . . 96 LYS HB3 . 7300 1 1095 . 1 1 96 96 LYS HG2 H 1 1.68 0.01 . 2 . . . . 96 LYS HG2 . 7300 1 1096 . 1 1 96 96 LYS HG3 H 1 1.55 0.01 . 2 . . . . 96 LYS HG3 . 7300 1 1097 . 1 1 96 96 LYS HD2 H 1 1.78 0.01 . 1 . . . . 96 LYS HD2 . 7300 1 1098 . 1 1 96 96 LYS HD3 H 1 1.78 0.01 . 1 . . . . 96 LYS HD3 . 7300 1 1099 . 1 1 96 96 LYS HE2 H 1 3.05 0.01 . 1 . . . . 96 LYS HE2 . 7300 1 1100 . 1 1 96 96 LYS HE3 H 1 3.05 0.01 . 1 . . . . 96 LYS HE3 . 7300 1 1101 . 1 1 96 96 LYS C C 13 170.74 0.05 . 1 . . . . 96 LYS C . 7300 1 1102 . 1 1 96 96 LYS CA C 13 57.80 0.07 . 1 . . . . 96 LYS CA . 7300 1 1103 . 1 1 96 96 LYS CB C 13 30.62 0.06 . 1 . . . . 96 LYS CB . 7300 1 1104 . 1 1 96 96 LYS CG C 13 23.38 0.05 . 1 . . . . 96 LYS CG . 7300 1 1105 . 1 1 96 96 LYS CD C 13 27.37 0.13 . 1 . . . . 96 LYS CD . 7300 1 1106 . 1 1 96 96 LYS CE C 13 40.20 0.12 . 1 . . . . 96 LYS CE . 7300 1 1107 . 1 1 96 96 LYS N N 15 119.02 0.01 . 1 . . . . 96 LYS N . 7300 1 1108 . 1 1 97 97 PHE H H 1 8.58 0.01 . 1 . . . . 97 PHE H . 7300 1 1109 . 1 1 97 97 PHE HA H 1 4.37 0.01 . 1 . . . . 97 PHE HA . 7300 1 1110 . 1 1 97 97 PHE HB2 H 1 3.53 0.01 . 2 . . . . 97 PHE HB2 . 7300 1 1111 . 1 1 97 97 PHE HB3 H 1 3.40 0.01 . 2 . . . . 97 PHE HB3 . 7300 1 1112 . 1 1 97 97 PHE C C 13 172.46 0.05 . 1 . . . . 97 PHE C . 7300 1 1113 . 1 1 97 97 PHE CA C 13 59.48 0.05 . 1 . . . . 97 PHE CA . 7300 1 1114 . 1 1 97 97 PHE CB C 13 37.44 0.04 . 1 . . . . 97 PHE CB . 7300 1 1115 . 1 1 97 97 PHE N N 15 120.91 0.02 . 1 . . . . 97 PHE N . 7300 1 1116 . 1 1 98 98 TRP H H 1 9.17 0.01 . 1 . . . . 98 TRP H . 7300 1 1117 . 1 1 98 98 TRP HA H 1 4.36 0.01 . 1 . . . . 98 TRP HA . 7300 1 1118 . 1 1 98 98 TRP HB2 H 1 3.42 0.01 . 1 . . . . 98 TRP HB2 . 7300 1 1119 . 1 1 98 98 TRP HB3 H 1 3.42 0.01 . 1 . . . . 98 TRP HB3 . 7300 1 1120 . 1 1 98 98 TRP HD1 H 1 7.05 0.01 . 1 . . . . 98 TRP HD1 . 7300 1 1121 . 1 1 98 98 TRP HE3 H 1 7.41 0.01 . 1 . . . . 98 TRP HE3 . 7300 1 1122 . 1 1 98 98 TRP HZ2 H 1 7.66 0.01 . 1 . . . . 98 TRP HZ2 . 7300 1 1123 . 1 1 98 98 TRP HZ3 H 1 7.32 0.01 . 1 . . . . 98 TRP HZ3 . 7300 1 1124 . 1 1 98 98 TRP C C 13 172.47 0.05 . 1 . . . . 98 TRP C . 7300 1 1125 . 1 1 98 98 TRP CA C 13 58.04 0.03 . 1 . . . . 98 TRP CA . 7300 1 1126 . 1 1 98 98 TRP CB C 13 28.15 0.05 . 1 . . . . 98 TRP CB . 7300 1 1127 . 1 1 98 98 TRP CD1 C 13 123.95 0.05 . 1 . . . . 98 TRP CD1 . 7300 1 1128 . 1 1 98 98 TRP CE3 C 13 117.97 0.05 . 1 . . . . 98 TRP CE3 . 7300 1 1129 . 1 1 98 98 TRP CZ2 C 13 113.25 0.05 . 1 . . . . 98 TRP CZ2 . 7300 1 1130 . 1 1 98 98 TRP CZ3 C 13 122.55 0.05 . 1 . . . . 98 TRP CZ3 . 7300 1 1131 . 1 1 98 98 TRP N N 15 122.54 0.02 . 1 . . . . 98 TRP N . 7300 1 1132 . 1 1 99 99 LYS H H 1 8.46 0.01 . 1 . . . . 99 LYS H . 7300 1 1133 . 1 1 99 99 LYS HA H 1 3.85 0.01 . 1 . . . . 99 LYS HA . 7300 1 1134 . 1 1 99 99 LYS HB2 H 1 1.79 0.01 . 2 . . . . 99 LYS HB2 . 7300 1 1135 . 1 1 99 99 LYS HB3 H 1 1.70 0.01 . 2 . . . . 99 LYS HB3 . 7300 1 1136 . 1 1 99 99 LYS HG2 H 1 1.46 0.01 . 2 . . . . 99 LYS HG2 . 7300 1 1137 . 1 1 99 99 LYS HG3 H 1 0.54 0.01 . 2 . . . . 99 LYS HG3 . 7300 1 1138 . 1 1 99 99 LYS HD2 H 1 1.39 0.01 . 2 . . . . 99 LYS HD2 . 7300 1 1139 . 1 1 99 99 LYS HD3 H 1 1.35 0.01 . 2 . . . . 99 LYS HD3 . 7300 1 1140 . 1 1 99 99 LYS HE2 H 1 2.66 0.01 . 2 . . . . 99 LYS HE2 . 7300 1 1141 . 1 1 99 99 LYS HE3 H 1 2.52 0.01 . 2 . . . . 99 LYS HE3 . 7300 1 1142 . 1 1 99 99 LYS C C 13 171.06 0.05 . 1 . . . . 99 LYS C . 7300 1 1143 . 1 1 99 99 LYS CA C 13 58.13 0.07 . 1 . . . . 99 LYS CA . 7300 1 1144 . 1 1 99 99 LYS CB C 13 30.28 0.06 . 1 . . . . 99 LYS CB . 7300 1 1145 . 1 1 99 99 LYS CG C 13 23.55 0.05 . 1 . . . . 99 LYS CG . 7300 1 1146 . 1 1 99 99 LYS CD C 13 27.52 0.07 . 1 . . . . 99 LYS CD . 7300 1 1147 . 1 1 99 99 LYS CE C 13 40.00 0.16 . 1 . . . . 99 LYS CE . 7300 1 1148 . 1 1 99 99 LYS N N 15 116.68 0.02 . 1 . . . . 99 LYS N . 7300 1 1149 . 1 1 100 100 SER H H 1 7.76 0.01 . 1 . . . . 100 SER H . 7300 1 1150 . 1 1 100 100 SER HA H 1 4.27 0.01 . 1 . . . . 100 SER HA . 7300 1 1151 . 1 1 100 100 SER HB2 H 1 3.88 0.01 . 1 . . . . 100 SER HB2 . 7300 1 1152 . 1 1 100 100 SER HB3 H 1 3.88 0.01 . 1 . . . . 100 SER HB3 . 7300 1 1153 . 1 1 100 100 SER C C 13 169.38 0.05 . 1 . . . . 100 SER C . 7300 1 1154 . 1 1 100 100 SER CA C 13 58.49 0.06 . 1 . . . . 100 SER CA . 7300 1 1155 . 1 1 100 100 SER CB C 13 61.48 0.05 . 1 . . . . 100 SER CB . 7300 1 1156 . 1 1 100 100 SER N N 15 112.64 0.06 . 1 . . . . 100 SER N . 7300 1 1157 . 1 1 101 101 HIS H H 1 7.87 0.01 . 1 . . . . 101 HIS H . 7300 1 1158 . 1 1 101 101 HIS HA H 1 4.18 0.02 . 1 . . . . 101 HIS HA . 7300 1 1159 . 1 1 101 101 HIS HB2 H 1 2.71 0.04 . 2 . . . . 101 HIS HB2 . 7300 1 1160 . 1 1 101 101 HIS HB3 H 1 2.31 0.01 . 2 . . . . 101 HIS HB3 . 7300 1 1161 . 1 1 101 101 HIS HD2 H 1 6.17 0.01 . 1 . . . . 101 HIS HD2 . 7300 1 1162 . 1 1 101 101 HIS C C 13 174.63 0.05 . 1 . . . . 101 HIS C . 7300 1 1163 . 1 1 101 101 HIS CA C 13 56.11 0.19 . 1 . . . . 101 HIS CA . 7300 1 1164 . 1 1 101 101 HIS CB C 13 27.28 0.24 . 1 . . . . 101 HIS CB . 7300 1 1165 . 1 1 101 101 HIS CD2 C 13 117.79 0.05 . 1 . . . . 101 HIS CD2 . 7300 1 1166 . 1 1 101 101 HIS N N 15 120.77 0.07 . 1 . . . . 101 HIS N . 7300 1 1167 . 1 1 102 102 LYS H H 1 7.81 0.01 . 1 . . . . 102 LYS H . 7300 1 1168 . 1 1 102 102 LYS HA H 1 3.48 0.02 . 1 . . . . 102 LYS HA . 7300 1 1169 . 1 1 102 102 LYS HB2 H 1 1.52 0.01 . 2 . . . . 102 LYS HB2 . 7300 1 1170 . 1 1 102 102 LYS HB3 H 1 1.28 0.03 . 2 . . . . 102 LYS HB3 . 7300 1 1171 . 1 1 102 102 LYS HG2 H 1 0.88 0.01 . 2 . . . . 102 LYS HG2 . 7300 1 1172 . 1 1 102 102 LYS HG3 H 1 1.07 0.01 . 2 . . . . 102 LYS HG3 . 7300 1 1173 . 1 1 102 102 LYS HD2 H 1 1.44 0.01 . 1 . . . . 102 LYS HD2 . 7300 1 1174 . 1 1 102 102 LYS HD3 H 1 1.44 0.01 . 1 . . . . 102 LYS HD3 . 7300 1 1175 . 1 1 102 102 LYS HE2 H 1 2.87 0.01 . 1 . . . . 102 LYS HE2 . 7300 1 1176 . 1 1 102 102 LYS HE3 H 1 2.90 0.01 . 2 . . . . 102 LYS HE3 . 7300 1 1177 . 1 1 102 102 LYS C C 13 172.94 0.05 . 1 . . . . 102 LYS C . 7300 1 1178 . 1 1 102 102 LYS CA C 13 54.93 0.04 . 1 . . . . 102 LYS CA . 7300 1 1179 . 1 1 102 102 LYS CB C 13 29.68 0.07 . 1 . . . . 102 LYS CB . 7300 1 1180 . 1 1 102 102 LYS CG C 13 22.01 0.03 . 1 . . . . 102 LYS CG . 7300 1 1181 . 1 1 102 102 LYS CD C 13 26.45 0.04 . 1 . . . . 102 LYS CD . 7300 1 1182 . 1 1 102 102 LYS CE C 13 39.86 0.10 . 1 . . . . 102 LYS CE . 7300 1 1183 . 1 1 102 102 LYS N N 15 118.82 0.08 . 1 . . . . 102 LYS N . 7300 1 1184 . 1 1 103 103 THR H H 1 7.68 0.01 . 1 . . . . 103 THR H . 7300 1 1185 . 1 1 103 103 THR HA H 1 4.18 0.01 . 1 . . . . 103 THR HA . 7300 1 1186 . 1 1 103 103 THR HB H 1 4.23 0.01 . 1 . . . . 103 THR HB . 7300 1 1187 . 1 1 103 103 THR HG21 H 1 1.23 0.01 . 1 . . . . 103 THR HG2 . 7300 1 1188 . 1 1 103 103 THR HG22 H 1 1.23 0.01 . 1 . . . . 103 THR HG2 . 7300 1 1189 . 1 1 103 103 THR HG23 H 1 1.23 0.01 . 1 . . . . 103 THR HG2 . 7300 1 1190 . 1 1 103 103 THR C C 13 175.63 0.05 . 1 . . . . 103 THR C . 7300 1 1191 . 1 1 103 103 THR CA C 13 61.20 0.09 . 1 . . . . 103 THR CA . 7300 1 1192 . 1 1 103 103 THR CB C 13 67.49 0.10 . 1 . . . . 103 THR CB . 7300 1 1193 . 1 1 103 103 THR CG2 C 13 19.57 0.06 . 1 . . . . 103 THR CG2 . 7300 1 1194 . 1 1 103 103 THR N N 15 113.00 0.07 . 1 . . . . 103 THR N . 7300 1 1195 . 1 1 104 104 LYS H H 1 7.87 0.01 . 1 . . . . 104 LYS H . 7300 1 1196 . 1 1 104 104 LYS HA H 1 4.26 0.01 . 1 . . . . 104 LYS HA . 7300 1 1197 . 1 1 104 104 LYS HB2 H 1 1.82 0.02 . 2 . . . . 104 LYS HB2 . 7300 1 1198 . 1 1 104 104 LYS HB3 H 1 1.76 0.01 . 2 . . . . 104 LYS HB3 . 7300 1 1199 . 1 1 104 104 LYS HG2 H 1 1.40 0.01 . 1 . . . . 104 LYS HG2 . 7300 1 1200 . 1 1 104 104 LYS HG3 H 1 1.40 0.01 . 1 . . . . 104 LYS HG3 . 7300 1 1201 . 1 1 104 104 LYS HD2 H 1 1.64 0.01 . 1 . . . . 104 LYS HD2 . 7300 1 1202 . 1 1 104 104 LYS HD3 H 1 1.64 0.01 . 1 . . . . 104 LYS HD3 . 7300 1 1203 . 1 1 104 104 LYS HE2 H 1 2.95 0.01 . 1 . . . . 104 LYS HE2 . 7300 1 1204 . 1 1 104 104 LYS HE3 H 1 2.95 0.01 . 1 . . . . 104 LYS HE3 . 7300 1 1205 . 1 1 104 104 LYS C C 13 173.34 0.05 . 1 . . . . 104 LYS C . 7300 1 1206 . 1 1 104 104 LYS CA C 13 54.79 0.09 . 1 . . . . 104 LYS CA . 7300 1 1207 . 1 1 104 104 LYS CB C 13 30.67 0.07 . 1 . . . . 104 LYS CB . 7300 1 1208 . 1 1 104 104 LYS CG C 13 22.86 0.05 . 1 . . . . 104 LYS CG . 7300 1 1209 . 1 1 104 104 LYS CD C 13 27.06 0.06 . 1 . . . . 104 LYS CD . 7300 1 1210 . 1 1 104 104 LYS CE C 13 40.19 0.05 . 1 . . . . 104 LYS CE . 7300 1 1211 . 1 1 104 104 LYS N N 15 122.77 0.03 . 1 . . . . 104 LYS N . 7300 1 1212 . 1 1 105 105 ILE H H 1 7.95 0.01 . 1 . . . . 105 ILE H . 7300 1 1213 . 1 1 105 105 ILE HA H 1 4.10 0.01 . 1 . . . . 105 ILE HA . 7300 1 1214 . 1 1 105 105 ILE HB H 1 1.85 0.01 . 1 . . . . 105 ILE HB . 7300 1 1215 . 1 1 105 105 ILE HG12 H 1 1.18 0.01 . 2 . . . . 105 ILE HG12 . 7300 1 1216 . 1 1 105 105 ILE HG13 H 1 1.46 0.01 . 2 . . . . 105 ILE HG13 . 7300 1 1217 . 1 1 105 105 ILE HG21 H 1 0.88 0.01 . 1 . . . . 105 ILE HG2 . 7300 1 1218 . 1 1 105 105 ILE HG22 H 1 0.88 0.01 . 1 . . . . 105 ILE HG2 . 7300 1 1219 . 1 1 105 105 ILE HG23 H 1 0.88 0.01 . 1 . . . . 105 ILE HG2 . 7300 1 1220 . 1 1 105 105 ILE HD11 H 1 0.83 0.01 . 1 . . . . 105 ILE HD1 . 7300 1 1221 . 1 1 105 105 ILE HD12 H 1 0.83 0.01 . 1 . . . . 105 ILE HD1 . 7300 1 1222 . 1 1 105 105 ILE HD13 H 1 0.83 0.01 . 1 . . . . 105 ILE HD1 . 7300 1 1223 . 1 1 105 105 ILE C C 13 174.03 0.05 . 1 . . . . 105 ILE C . 7300 1 1224 . 1 1 105 105 ILE CA C 13 59.63 0.06 . 1 . . . . 105 ILE CA . 7300 1 1225 . 1 1 105 105 ILE CB C 13 36.46 0.03 . 1 . . . . 105 ILE CB . 7300 1 1226 . 1 1 105 105 ILE CG1 C 13 25.48 0.03 . 1 . . . . 105 ILE CG1 . 7300 1 1227 . 1 1 105 105 ILE CG2 C 13 15.48 0.03 . 1 . . . . 105 ILE CG2 . 7300 1 1228 . 1 1 105 105 ILE CD1 C 13 11.11 0.04 . 1 . . . . 105 ILE CD1 . 7300 1 1229 . 1 1 105 105 ILE N N 15 121.02 0.03 . 1 . . . . 105 ILE N . 7300 1 1230 . 1 1 106 106 ARG H H 1 8.21 0.01 . 1 . . . . 106 ARG H . 7300 1 1231 . 1 1 106 106 ARG HA H 1 4.37 0.01 . 1 . . . . 106 ARG HA . 7300 1 1232 . 1 1 106 106 ARG HB2 H 1 1.82 0.01 . 2 . . . . 106 ARG HB2 . 7300 1 1233 . 1 1 106 106 ARG HB3 H 1 1.90 0.01 . 2 . . . . 106 ARG HB3 . 7300 1 1234 . 1 1 106 106 ARG HG2 H 1 1.66 0.01 . 1 . . . . 106 ARG HG2 . 7300 1 1235 . 1 1 106 106 ARG HG3 H 1 1.66 0.01 . 1 . . . . 106 ARG HG3 . 7300 1 1236 . 1 1 106 106 ARG HD2 H 1 3.22 0.01 . 1 . . . . 106 ARG HD2 . 7300 1 1237 . 1 1 106 106 ARG HD3 H 1 3.22 0.01 . 1 . . . . 106 ARG HD3 . 7300 1 1238 . 1 1 106 106 ARG C C 13 174.10 0.05 . 1 . . . . 106 ARG C . 7300 1 1239 . 1 1 106 106 ARG CA C 13 54.19 0.10 . 1 . . . . 106 ARG CA . 7300 1 1240 . 1 1 106 106 ARG CB C 13 29.00 0.07 . 1 . . . . 106 ARG CB . 7300 1 1241 . 1 1 106 106 ARG CG C 13 25.23 0.03 . 1 . . . . 106 ARG CG . 7300 1 1242 . 1 1 106 106 ARG CD C 13 41.43 0.07 . 1 . . . . 106 ARG CD . 7300 1 1243 . 1 1 106 106 ARG N N 15 124.13 0.01 . 1 . . . . 106 ARG N . 7300 1 1244 . 1 1 107 107 GLU H H 1 8.43 0.01 . 1 . . . . 107 GLU H . 7300 1 1245 . 1 1 107 107 GLU HA H 1 4.36 0.01 . 1 . . . . 107 GLU HA . 7300 1 1246 . 1 1 107 107 GLU HB2 H 1 2.14 0.01 . 2 . . . . 107 GLU HB2 . 7300 1 1247 . 1 1 107 107 GLU HB3 H 1 1.99 0.01 . 2 . . . . 107 GLU HB3 . 7300 1 1248 . 1 1 107 107 GLU HG2 H 1 2.31 0.01 . 1 . . . . 107 GLU HG2 . 7300 1 1249 . 1 1 107 107 GLU HG3 H 1 2.31 0.01 . 1 . . . . 107 GLU HG3 . 7300 1 1250 . 1 1 107 107 GLU C C 13 174.56 0.05 . 1 . . . . 107 GLU C . 7300 1 1251 . 1 1 107 107 GLU CA C 13 54.73 0.09 . 1 . . . . 107 GLU CA . 7300 1 1252 . 1 1 107 107 GLU CB C 13 28.53 0.09 . 1 . . . . 107 GLU CB . 7300 1 1253 . 1 1 107 107 GLU CG C 13 34.43 0.03 . 1 . . . . 107 GLU CG . 7300 1 1254 . 1 1 107 107 GLU N N 15 122.69 0.01 . 1 . . . . 107 GLU N . 7300 1 1255 . 1 1 108 108 SER H H 1 7.95 0.01 . 1 . . . . 108 SER H . 7300 1 1256 . 1 1 108 108 SER HA H 1 4.28 0.01 . 1 . . . . 108 SER HA . 7300 1 1257 . 1 1 108 108 SER HB2 H 1 3.88 0.01 . 1 . . . . 108 SER HB2 . 7300 1 1258 . 1 1 108 108 SER HB3 H 1 3.88 0.01 . 1 . . . . 108 SER HB3 . 7300 1 1259 . 1 1 108 108 SER CA C 13 58.05 0.05 . 1 . . . . 108 SER CA . 7300 1 1260 . 1 1 108 108 SER CB C 13 62.96 0.14 . 1 . . . . 108 SER CB . 7300 1 1261 . 1 1 108 108 SER N N 15 121.96 0.01 . 1 . . . . 108 SER N . 7300 1 stop_ save_