data_5975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5975 _Entry.Title ; 1H and 15N chemical shift assignments for the N-domain of trout cardiac troponin C at 30 and 7 C ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-10-16 _Entry.Accession_date 2003-10-17 _Entry.Last_release_date 2003-12-08 _Entry.Original_release_date 2003-12-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tharin Blumenschein . 'M. A.' . 5975 2 Todd Gillis . E. . 5975 3 Glen Tibbits . F. . 5975 4 Brian Sykes . D. . 5975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1100 5975 '13C chemical shifts' 292 5975 '15N chemical shifts' 186 5975 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-12-08 2003-10-16 original author . 5975 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5975 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12767223 _Citation.Full_citation . _Citation.Title ; Effect of temperature and the F27W mutation on the Ca2+ activated structural transition of trout cardiac troponin C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 21 _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 6418 _Citation.Page_last 6426 _Citation.Year 2003 _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 Todd Gillis . E. . 5975 1 2 Tharin Blumenschein . 'M. A.' . 5975 1 3 Brian Sykes . D. . 5975 1 4 Glen Tibbits . F. . 5975 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EF-hand 5975 1 troponin 5975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TnC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TnC _Assembly.Entry_ID 5975 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of trout cardiac troponin C' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5975 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'trout N-terminal domin of cardiac TnC' 1 $TnC . . . native . . . . . 5975 1 2 'CALCIUM (II) ION' 2 $CA . . . native . . . . . 5975 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1R2U . . . . . 'protein at 30 C' 5975 1 yes PDB 1R6P . . . . . 'protein at 7 C' 5975 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal domain of trout cardiac troponin C' system 5975 1 TnC abbreviation 5975 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TnC _Entity.Sf_category entity _Entity.Sf_framecode TnC _Entity.Entry_ID 5975 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'trout troponin C' _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 ; MNDIYKAAVEQLTDEQKNEF KAAFDIFIQDAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1R2U . "Nmr Structure Of The N Domain Of Trout Cardiac Troponin C At 30 C" . . . . . 100.00 89 100.00 100.00 2.92e-56 . . . . 5975 1 2 no PDB 1R6P . "Nmr Structure Of The N-Terminal Domain Of Trout Cardiac Troponin C At 7 C" . . . . . 100.00 89 100.00 100.00 2.92e-56 . . . . 5975 1 3 no PDB 4GJG . "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C Mutant D2n/v28i/l29q/g30d (niqd) In Complex With Cad" . . . . . 100.00 89 98.88 100.00 1.27e-55 . . . . 5975 1 4 no EMBL CDQ82174 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 161 100.00 100.00 2.81e-55 . . . . 5975 1 5 no GB AAP33791 . "troponin C [Oncorhynchus mykiss]" . . . . . 100.00 161 100.00 100.00 2.81e-55 . . . . 5975 1 6 no GB ACQ58284 . "Troponin C, slow skeletal and cardiac muscles [Anoplopoma fimbria]" . . . . . 100.00 161 97.75 100.00 1.22e-54 . . . . 5975 1 7 no REF NP_001117928 . "troponin C [Oncorhynchus mykiss]" . . . . . 100.00 161 100.00 100.00 2.81e-55 . . . . 5975 1 8 no REF XP_003439031 . "PREDICTED: troponin C, slow skeletal and cardiac muscles-like isoform X1 [Oreochromis niloticus]" . . . . . 100.00 161 98.88 100.00 2.94e-55 . . . . 5975 1 9 no REF XP_004546240 . "PREDICTED: troponin C, slow skeletal and cardiac muscles-like [Maylandia zebra]" . . . . . 100.00 161 98.88 100.00 2.94e-55 . . . . 5975 1 10 no REF XP_005053154 . "PREDICTED: troponin C, slow skeletal and cardiac muscles isoform X1 [Ficedula albicollis]" . . . . . 50.56 170 100.00 100.00 9.08e-22 . . . . 5975 1 11 no REF XP_005448716 . "PREDICTED: troponin C, slow skeletal and cardiac muscles-like isoform X2 [Oreochromis niloticus]" . . . . . 91.01 164 98.77 100.00 8.13e-49 . . . . 5975 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'trout troponin C' common 5975 1 TnC abbreviation 5975 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 . 5975 1 2 . ASN . 5975 1 3 . ASP . 5975 1 4 . ILE . 5975 1 5 . TYR . 5975 1 6 . LYS . 5975 1 7 . ALA . 5975 1 8 . ALA . 5975 1 9 . VAL . 5975 1 10 . GLU . 5975 1 11 . GLN . 5975 1 12 . LEU . 5975 1 13 . THR . 5975 1 14 . ASP . 5975 1 15 . GLU . 5975 1 16 . GLN . 5975 1 17 . LYS . 5975 1 18 . ASN . 5975 1 19 . GLU . 5975 1 20 . PHE . 5975 1 21 . LYS . 5975 1 22 . ALA . 5975 1 23 . ALA . 5975 1 24 . PHE . 5975 1 25 . ASP . 5975 1 26 . ILE . 5975 1 27 . PHE . 5975 1 28 . ILE . 5975 1 29 . GLN . 5975 1 30 . ASP . 5975 1 31 . ALA . 5975 1 32 . GLU . 5975 1 33 . ASP . 5975 1 34 . GLY . 5975 1 35 . CYS . 5975 1 36 . ILE . 5975 1 37 . SER . 5975 1 38 . THR . 5975 1 39 . LYS . 5975 1 40 . GLU . 5975 1 41 . LEU . 5975 1 42 . GLY . 5975 1 43 . LYS . 5975 1 44 . VAL . 5975 1 45 . MET . 5975 1 46 . ARG . 5975 1 47 . MET . 5975 1 48 . LEU . 5975 1 49 . GLY . 5975 1 50 . GLN . 5975 1 51 . ASN . 5975 1 52 . PRO . 5975 1 53 . THR . 5975 1 54 . PRO . 5975 1 55 . GLU . 5975 1 56 . GLU . 5975 1 57 . LEU . 5975 1 58 . GLN . 5975 1 59 . GLU . 5975 1 60 . MET . 5975 1 61 . ILE . 5975 1 62 . ASP . 5975 1 63 . GLU . 5975 1 64 . VAL . 5975 1 65 . ASP . 5975 1 66 . GLU . 5975 1 67 . ASP . 5975 1 68 . GLY . 5975 1 69 . SER . 5975 1 70 . GLY . 5975 1 71 . THR . 5975 1 72 . VAL . 5975 1 73 . ASP . 5975 1 74 . PHE . 5975 1 75 . ASP . 5975 1 76 . GLU . 5975 1 77 . PHE . 5975 1 78 . LEU . 5975 1 79 . VAL . 5975 1 80 . MET . 5975 1 81 . MET . 5975 1 82 . VAL . 5975 1 83 . ARG . 5975 1 84 . CYS . 5975 1 85 . MET . 5975 1 86 . LYS . 5975 1 87 . ASP . 5975 1 88 . ASP . 5975 1 89 . SER . 5975 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 5975 1 . ASN 2 2 5975 1 . ASP 3 3 5975 1 . ILE 4 4 5975 1 . TYR 5 5 5975 1 . LYS 6 6 5975 1 . ALA 7 7 5975 1 . ALA 8 8 5975 1 . VAL 9 9 5975 1 . GLU 10 10 5975 1 . GLN 11 11 5975 1 . LEU 12 12 5975 1 . THR 13 13 5975 1 . ASP 14 14 5975 1 . GLU 15 15 5975 1 . GLN 16 16 5975 1 . LYS 17 17 5975 1 . ASN 18 18 5975 1 . GLU 19 19 5975 1 . PHE 20 20 5975 1 . LYS 21 21 5975 1 . ALA 22 22 5975 1 . ALA 23 23 5975 1 . PHE 24 24 5975 1 . ASP 25 25 5975 1 . ILE 26 26 5975 1 . PHE 27 27 5975 1 . ILE 28 28 5975 1 . GLN 29 29 5975 1 . ASP 30 30 5975 1 . ALA 31 31 5975 1 . GLU 32 32 5975 1 . ASP 33 33 5975 1 . GLY 34 34 5975 1 . CYS 35 35 5975 1 . ILE 36 36 5975 1 . SER 37 37 5975 1 . THR 38 38 5975 1 . LYS 39 39 5975 1 . GLU 40 40 5975 1 . LEU 41 41 5975 1 . GLY 42 42 5975 1 . LYS 43 43 5975 1 . VAL 44 44 5975 1 . MET 45 45 5975 1 . ARG 46 46 5975 1 . MET 47 47 5975 1 . LEU 48 48 5975 1 . GLY 49 49 5975 1 . GLN 50 50 5975 1 . ASN 51 51 5975 1 . PRO 52 52 5975 1 . THR 53 53 5975 1 . PRO 54 54 5975 1 . GLU 55 55 5975 1 . GLU 56 56 5975 1 . LEU 57 57 5975 1 . GLN 58 58 5975 1 . GLU 59 59 5975 1 . MET 60 60 5975 1 . ILE 61 61 5975 1 . ASP 62 62 5975 1 . GLU 63 63 5975 1 . VAL 64 64 5975 1 . ASP 65 65 5975 1 . GLU 66 66 5975 1 . ASP 67 67 5975 1 . GLY 68 68 5975 1 . SER 69 69 5975 1 . GLY 70 70 5975 1 . THR 71 71 5975 1 . VAL 72 72 5975 1 . ASP 73 73 5975 1 . PHE 74 74 5975 1 . ASP 75 75 5975 1 . GLU 76 76 5975 1 . PHE 77 77 5975 1 . LEU 78 78 5975 1 . VAL 79 79 5975 1 . MET 80 80 5975 1 . MET 81 81 5975 1 . VAL 82 82 5975 1 . ARG 83 83 5975 1 . CYS 84 84 5975 1 . MET 85 85 5975 1 . LYS 86 86 5975 1 . ASP 87 87 5975 1 . ASP 88 88 5975 1 . SER 89 89 5975 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5975 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 5975 2 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 5975 _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 $TnC . 8022 organism . 'Oncorhynchus mykiss' 'rainbow trout' . . Eukaryota Metazoa Oncorhynchus mykiss . . . heart muscle . . . . . . . . . . . . . . . . 5975 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 5975 _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 $TnC . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . 'pET 3a' . . . . . . 5975 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5975 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 14 10:26:39 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca+2] SMILES ACDLabs 10.04 5975 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5975 CA [Ca++] SMILES CACTVS 3.341 5975 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5975 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5975 CA InChI=1S/Ca/q+2 InChI InChI 1.03 5975 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5975 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 5975 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5975 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5975 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5975 _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 'trout troponin C' '[U-90% 15N]' . . 1 $TnC . . 1.34 . . mM . . . . 5975 1 2 imidazole . . . . . . . 10 . . mM . . . . 5975 1 3 KCl . . . . . . . 100 . . mM . . . . 5975 1 4 dithiothreitol . . . . . . . 20 . . mM . . . . 5975 1 5 NaN3 . . . . . . . 0.03 . . % . . . . 5975 1 6 2,2-dimethyl-2-silapentane-5-sulfonic_acid_(DSS) . . . . . . . 0.2 . . mM . . . . 5975 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5975 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'trout troponin C' '[U-96% 15N]' . . 1 $TnC . . 1.34 . . mM . . . . 5975 2 2 imidazole . . . . . . . 10 . . mM . . . . 5975 2 3 KCl . . . . . . . 100 . . mM . . . . 5975 2 4 dithiothreitol . . . . . . . 20 . . mM . . . . 5975 2 5 NaN3 . . . . . . . 0.03 . . % . . . . 5975 2 6 2,2-dimethyl-2-silapentane-5-sulfonic_acid_(DSS) . . . . . . . 0.2 . . mM . . . . 5975 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5975 _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 6.9 0.1 na 5975 1 temperature 303 1 K 5975 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 5975 _Sample_condition_list.ID 2 _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 6.9 0.1 na 5975 2 temperature 280 1 K 5975 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5975 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5975 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5975 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 5975 1 2 NMR_spectrometer_2 Varian Unity . 600 . . . 5975 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 5975 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5975 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5975 1 2 '15N DIPSI-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5975 1 3 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5975 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5975 1 5 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5975 1 6 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5975 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5975 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5975 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N DIPSI-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5975 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5975 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5975 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5975 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 2D-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5975 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5975 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5975 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5975 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5975 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' . . . 5975 1 2 '15N DIPSI-HSQC' . . . 5975 1 3 '15N NOESY-HSQC' . . . 5975 1 4 HNHA . . . 5975 1 5 HNHB . . . 5975 1 6 2D-NOESY . . . 5975 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.706 0.01 . 1 . . . . . . . . 5975 1 2 . 1 1 2 2 ASN CB C 13 38.675 0.2 . 1 . . . . . . . . 5975 1 3 . 1 1 2 2 ASN HB3 H 1 2.988 0.01 . 2 . . . . . . . . 5975 1 4 . 1 1 2 2 ASN HB2 H 1 2.874 0.01 . 2 . . . . . . . . 5975 1 5 . 1 1 2 2 ASN ND2 N 15 113.580 0.2 . 1 . . . . . . . . 5975 1 6 . 1 1 2 2 ASN HD21 H 1 6.858 0.01 . 2 . . . . . . . . 5975 1 7 . 1 1 2 2 ASN HD22 H 1 7.915 0.01 . 2 . . . . . . . . 5975 1 8 . 1 1 3 3 ASP N N 15 122.268 0.2 . 1 . . . . . . . . 5975 1 9 . 1 1 3 3 ASP H H 1 8.651 0.01 . 1 . . . . . . . . 5975 1 10 . 1 1 3 3 ASP CA C 13 56.381 0.2 . 1 . . . . . . . . 5975 1 11 . 1 1 3 3 ASP HA H 1 4.334 0.01 . 1 . . . . . . . . 5975 1 12 . 1 1 3 3 ASP CB C 13 40.721 0.2 . 1 . . . . . . . . 5975 1 13 . 1 1 3 3 ASP HB3 H 1 2.685 0.01 . 2 . . . . . . . . 5975 1 14 . 1 1 3 3 ASP HB2 H 1 2.615 0.01 . 2 . . . . . . . . 5975 1 15 . 1 1 4 4 ILE N N 15 119.159 0.2 . 1 . . . . . . . . 5975 1 16 . 1 1 4 4 ILE H H 1 8.101 0.01 . 1 . . . . . . . . 5975 1 17 . 1 1 4 4 ILE CA C 13 63.795 0.2 . 1 . . . . . . . . 5975 1 18 . 1 1 4 4 ILE HA H 1 3.867 0.01 . 1 . . . . . . . . 5975 1 19 . 1 1 4 4 ILE CB C 13 37.561 0.2 . 1 . . . . . . . . 5975 1 20 . 1 1 4 4 ILE HB H 1 1.596 0.01 . 1 . . . . . . . . 5975 1 21 . 1 1 4 4 ILE CG1 C 13 27.397 0.2 . 2 . . . . . . . . 5975 1 22 . 1 1 4 4 ILE HG13 H 1 0.983 0.01 . 2 . . . . . . . . 5975 1 23 . 1 1 4 4 ILE HG12 H 1 0.979 0.01 . 2 . . . . . . . . 5975 1 24 . 1 1 4 4 ILE CD1 C 13 13.012 0.2 . 1 . . . . . . . . 5975 1 25 . 1 1 4 4 ILE HD11 H 1 0.722 0.01 . 1 . . . . . . . . 5975 1 26 . 1 1 4 4 ILE HD12 H 1 0.722 0.01 . 1 . . . . . . . . 5975 1 27 . 1 1 4 4 ILE HD13 H 1 0.722 0.01 . 1 . . . . . . . . 5975 1 28 . 1 1 4 4 ILE CG2 C 13 16.940 0.2 . 1 . . . . . . . . 5975 1 29 . 1 1 4 4 ILE HG21 H 1 0.575 0.01 . 1 . . . . . . . . 5975 1 30 . 1 1 4 4 ILE HG22 H 1 0.575 0.01 . 1 . . . . . . . . 5975 1 31 . 1 1 4 4 ILE HG23 H 1 0.575 0.01 . 1 . . . . . . . . 5975 1 32 . 1 1 5 5 TYR N N 15 120.141 0.2 . 1 . . . . . . . . 5975 1 33 . 1 1 5 5 TYR H H 1 7.403 0.01 . 1 . . . . . . . . 5975 1 34 . 1 1 5 5 TYR HA H 1 4.523 0.01 . 1 . . . . . . . . 5975 1 35 . 1 1 5 5 TYR CB C 13 38.081 0.2 . 1 . . . . . . . . 5975 1 36 . 1 1 5 5 TYR HB3 H 1 3.178 0.01 . 2 . . . . . . . . 5975 1 37 . 1 1 5 5 TYR HB2 H 1 2.819 0.01 . 2 . . . . . . . . 5975 1 38 . 1 1 5 5 TYR HD1 H 1 7.043 0.01 . 3 . . . . . . . . 5975 1 39 . 1 1 5 5 TYR HE1 H 1 6.839 0.01 . 3 . . . . . . . . 5975 1 40 . 1 1 6 6 LYS N N 15 120.346 0.2 . 1 . . . . . . . . 5975 1 41 . 1 1 6 6 LYS H H 1 7.959 0.01 . 1 . . . . . . . . 5975 1 42 . 1 1 6 6 LYS CA C 13 58.892 0.2 . 1 . . . . . . . . 5975 1 43 . 1 1 6 6 LYS HA H 1 3.963 0.01 . 1 . . . . . . . . 5975 1 44 . 1 1 6 6 LYS CB C 13 32.482 0.2 . 1 . . . . . . . . 5975 1 45 . 1 1 6 6 LYS HB3 H 1 1.877 0.01 . 2 . . . . . . . . 5975 1 46 . 1 1 6 6 LYS CG C 13 25.642 0.2 . 1 . . . . . . . . 5975 1 47 . 1 1 6 6 LYS HG3 H 1 1.518 0.01 . 2 . . . . . . . . 5975 1 48 . 1 1 6 6 LYS HG2 H 1 1.394 0.01 . 2 . . . . . . . . 5975 1 49 . 1 1 6 6 LYS HD3 H 1 1.697 0.01 . 2 . . . . . . . . 5975 1 50 . 1 1 6 6 LYS CE C 13 41.867 0.2 . 1 . . . . . . . . 5975 1 51 . 1 1 6 6 LYS HE3 H 1 2.989 0.01 . 2 . . . . . . . . 5975 1 52 . 1 1 7 7 ALA N N 15 120.403 0.2 . 1 . . . . . . . . 5975 1 53 . 1 1 7 7 ALA H H 1 7.894 0.01 . 1 . . . . . . . . 5975 1 54 . 1 1 7 7 ALA CA C 13 54.646 0.2 . 1 . . . . . . . . 5975 1 55 . 1 1 7 7 ALA HA H 1 4.170 0.01 . 1 . . . . . . . . 5975 1 56 . 1 1 7 7 ALA CB C 13 18.067 0.2 . 1 . . . . . . . . 5975 1 57 . 1 1 7 7 ALA HB1 H 1 1.429 0.01 . 1 . . . . . . . . 5975 1 58 . 1 1 7 7 ALA HB2 H 1 1.429 0.01 . 1 . . . . . . . . 5975 1 59 . 1 1 7 7 ALA HB3 H 1 1.429 0.01 . 1 . . . . . . . . 5975 1 60 . 1 1 8 8 ALA N N 15 120.114 0.2 . 1 . . . . . . . . 5975 1 61 . 1 1 8 8 ALA H H 1 7.518 0.01 . 1 . . . . . . . . 5975 1 62 . 1 1 8 8 ALA CA C 13 54.646 0.2 . 1 . . . . . . . . 5975 1 63 . 1 1 8 8 ALA HA H 1 4.191 0.01 . 1 . . . . . . . . 5975 1 64 . 1 1 8 8 ALA CB C 13 18.334 0.2 . 1 . . . . . . . . 5975 1 65 . 1 1 8 8 ALA HB1 H 1 1.591 0.01 . 1 . . . . . . . . 5975 1 66 . 1 1 8 8 ALA HB2 H 1 1.591 0.01 . 1 . . . . . . . . 5975 1 67 . 1 1 8 8 ALA HB3 H 1 1.591 0.01 . 1 . . . . . . . . 5975 1 68 . 1 1 9 9 VAL N N 15 119.683 0.2 . 1 . . . . . . . . 5975 1 69 . 1 1 9 9 VAL H H 1 8.192 0.01 . 1 . . . . . . . . 5975 1 70 . 1 1 9 9 VAL CA C 13 66.247 0.2 . 1 . . . . . . . . 5975 1 71 . 1 1 9 9 VAL HA H 1 3.563 0.01 . 1 . . . . . . . . 5975 1 72 . 1 1 9 9 VAL CB C 13 31.817 0.2 . 1 . . . . . . . . 5975 1 73 . 1 1 9 9 VAL HB H 1 2.235 0.01 . 1 . . . . . . . . 5975 1 74 . 1 1 9 9 VAL HG21 H 1 1.104 0.01 . 2 . . . . . . . . 5975 1 75 . 1 1 9 9 VAL HG22 H 1 1.104 0.01 . 2 . . . . . . . . 5975 1 76 . 1 1 9 9 VAL HG23 H 1 1.104 0.01 . 2 . . . . . . . . 5975 1 77 . 1 1 9 9 VAL CG1 C 13 22.083 0.2 . 1 . . . . . . . . 5975 1 78 . 1 1 9 9 VAL HG11 H 1 0.968 0.01 . 2 . . . . . . . . 5975 1 79 . 1 1 9 9 VAL HG12 H 1 0.968 0.01 . 2 . . . . . . . . 5975 1 80 . 1 1 9 9 VAL HG13 H 1 0.968 0.01 . 2 . . . . . . . . 5975 1 81 . 1 1 10 10 GLU N N 15 118.496 0.2 . 1 . . . . . . . . 5975 1 82 . 1 1 10 10 GLU H H 1 7.827 0.01 . 1 . . . . . . . . 5975 1 83 . 1 1 10 10 GLU CA C 13 58.322 0.2 . 1 . . . . . . . . 5975 1 84 . 1 1 10 10 GLU HA H 1 4.100 0.01 . 1 . . . . . . . . 5975 1 85 . 1 1 10 10 GLU CB C 13 29.522 0.2 . 1 . . . . . . . . 5975 1 86 . 1 1 10 10 GLU HB2 H 1 2.159 0.01 . 2 . . . . . . . . 5975 1 87 . 1 1 10 10 GLU CG C 13 36.640 0.2 . 1 . . . . . . . . 5975 1 88 . 1 1 10 10 GLU HG3 H 1 2.487 0.01 . 2 . . . . . . . . 5975 1 89 . 1 1 10 10 GLU HG2 H 1 2.320 0.01 . 2 . . . . . . . . 5975 1 90 . 1 1 11 11 GLN N N 15 114.630 0.2 . 1 . . . . . . . . 5975 1 91 . 1 1 11 11 GLN H H 1 7.325 0.01 . 1 . . . . . . . . 5975 1 92 . 1 1 11 11 GLN CA C 13 55.420 0.2 . 1 . . . . . . . . 5975 1 93 . 1 1 11 11 GLN HA H 1 4.310 0.01 . 1 . . . . . . . . 5975 1 94 . 1 1 11 11 GLN CB C 13 29.379 0.2 . 1 . . . . . . . . 5975 1 95 . 1 1 11 11 GLN HB3 H 1 2.062 0.01 . 1 . . . . . . . . 5975 1 96 . 1 1 11 11 GLN HB2 H 1 2.351 0.01 . 1 . . . . . . . . 5975 1 97 . 1 1 11 11 GLN CG C 13 34.052 0.2 . 1 . . . . . . . . 5975 1 98 . 1 1 11 11 GLN HG3 H 1 2.516 0.01 . 2 . . . . . . . . 5975 1 99 . 1 1 11 11 GLN HG2 H 1 2.486 0.01 . 2 . . . . . . . . 5975 1 100 . 1 1 11 11 GLN NE2 N 15 112.035 0.2 . 1 . . . . . . . . 5975 1 101 . 1 1 11 11 GLN HE21 H 1 6.789 0.01 . 2 . . . . . . . . 5975 1 102 . 1 1 11 11 GLN HE22 H 1 7.460 0.01 . 2 . . . . . . . . 5975 1 103 . 1 1 12 12 LEU N N 15 120.841 0.2 . 1 . . . . . . . . 5975 1 104 . 1 1 12 12 LEU H H 1 7.365 0.01 . 1 . . . . . . . . 5975 1 105 . 1 1 12 12 LEU CA C 13 55.086 0.2 . 1 . . . . . . . . 5975 1 106 . 1 1 12 12 LEU HA H 1 4.493 0.01 . 1 . . . . . . . . 5975 1 107 . 1 1 12 12 LEU HB3 H 1 1.952 0.01 . 2 . . . . . . . . 5975 1 108 . 1 1 12 12 LEU HB2 H 1 1.384 0.01 . 2 . . . . . . . . 5975 1 109 . 1 1 12 12 LEU CG C 13 26.377 0.2 . 1 . . . . . . . . 5975 1 110 . 1 1 12 12 LEU HG H 1 2.203 0.01 . 1 . . . . . . . . 5975 1 111 . 1 1 12 12 LEU HD11 H 1 0.992 0.01 . 2 . . . . . . . . 5975 1 112 . 1 1 12 12 LEU HD12 H 1 0.992 0.01 . 2 . . . . . . . . 5975 1 113 . 1 1 12 12 LEU HD13 H 1 0.992 0.01 . 2 . . . . . . . . 5975 1 114 . 1 1 12 12 LEU CD2 C 13 23.082 0.2 . 1 . . . . . . . . 5975 1 115 . 1 1 12 12 LEU HD21 H 1 0.915 0.01 . 2 . . . . . . . . 5975 1 116 . 1 1 12 12 LEU HD22 H 1 0.915 0.01 . 2 . . . . . . . . 5975 1 117 . 1 1 12 12 LEU HD23 H 1 0.915 0.01 . 2 . . . . . . . . 5975 1 118 . 1 1 13 13 THR N N 15 114.080 0.2 . 1 . . . . . . . . 5975 1 119 . 1 1 13 13 THR H H 1 8.968 0.01 . 1 . . . . . . . . 5975 1 120 . 1 1 13 13 THR CA C 13 60.618 0.2 . 1 . . . . . . . . 5975 1 121 . 1 1 13 13 THR HA H 1 4.426 0.01 . 1 . . . . . . . . 5975 1 122 . 1 1 13 13 THR CB C 13 71.088 0.2 . 1 . . . . . . . . 5975 1 123 . 1 1 13 13 THR HB H 1 4.821 0.01 . 1 . . . . . . . . 5975 1 124 . 1 1 13 13 THR CG2 C 13 22.053 0.2 . 1 . . . . . . . . 5975 1 125 . 1 1 13 13 THR HG21 H 1 1.411 0.01 . 1 . . . . . . . . 5975 1 126 . 1 1 13 13 THR HG22 H 1 1.411 0.01 . 1 . . . . . . . . 5975 1 127 . 1 1 13 13 THR HG23 H 1 1.411 0.01 . 1 . . . . . . . . 5975 1 128 . 1 1 13 13 THR HG1 H 1 5.673 0.01 . 1 . . . . . . . . 5975 1 129 . 1 1 14 14 ASP N N 15 121.757 0.2 . 1 . . . . . . . . 5975 1 130 . 1 1 14 14 ASP H H 1 9.019 0.01 . 1 . . . . . . . . 5975 1 131 . 1 1 14 14 ASP CA C 13 57.979 0.2 . 1 . . . . . . . . 5975 1 132 . 1 1 14 14 ASP HA H 1 4.320 0.01 . 1 . . . . . . . . 5975 1 133 . 1 1 14 14 ASP CB C 13 39.992 0.2 . 1 . . . . . . . . 5975 1 134 . 1 1 14 14 ASP HB2 H 1 2.639 0.01 . 2 . . . . . . . . 5975 1 135 . 1 1 15 15 GLU N N 15 118.780 0.2 . 1 . . . . . . . . 5975 1 136 . 1 1 15 15 GLU H H 1 8.572 0.01 . 1 . . . . . . . . 5975 1 137 . 1 1 15 15 GLU CA C 13 60.280 0.2 . 1 . . . . . . . . 5975 1 138 . 1 1 15 15 GLU HA H 1 4.029 0.01 . 1 . . . . . . . . 5975 1 139 . 1 1 15 15 GLU CB C 13 29.163 0.2 . 1 . . . . . . . . 5975 1 140 . 1 1 15 15 GLU HB3 H 1 2.052 0.01 . 2 . . . . . . . . 5975 1 141 . 1 1 15 15 GLU HB2 H 1 1.943 0.01 . 2 . . . . . . . . 5975 1 142 . 1 1 15 15 GLU CG C 13 36.960 0.2 . 1 . . . . . . . . 5975 1 143 . 1 1 15 15 GLU HG3 H 1 2.358 0.01 . 2 . . . . . . . . 5975 1 144 . 1 1 15 15 GLU HG2 H 1 2.296 0.01 . 2 . . . . . . . . 5975 1 145 . 1 1 16 16 GLN N N 15 119.753 0.2 . 1 . . . . . . . . 5975 1 146 . 1 1 16 16 GLN H H 1 7.815 0.01 . 1 . . . . . . . . 5975 1 147 . 1 1 16 16 GLN CA C 13 58.677 0.2 . 1 . . . . . . . . 5975 1 148 . 1 1 16 16 GLN HA H 1 3.804 0.01 . 1 . . . . . . . . 5975 1 149 . 1 1 16 16 GLN HB3 H 1 1.548 0.01 . 2 . . . . . . . . 5975 1 150 . 1 1 16 16 GLN HB2 H 1 2.297 0.01 . 2 . . . . . . . . 5975 1 151 . 1 1 16 16 GLN CG C 13 34.982 0.2 . 1 . . . . . . . . 5975 1 152 . 1 1 16 16 GLN HG3 H 1 2.318 0.01 . 2 . . . . . . . . 5975 1 153 . 1 1 16 16 GLN HG2 H 1 2.225 0.01 . 2 . . . . . . . . 5975 1 154 . 1 1 16 16 GLN NE2 N 15 111.930 0.2 . 1 . . . . . . . . 5975 1 155 . 1 1 16 16 GLN HE21 H 1 6.822 0.01 . 2 . . . . . . . . 5975 1 156 . 1 1 16 16 GLN HE22 H 1 7.516 0.01 . 2 . . . . . . . . 5975 1 157 . 1 1 17 17 LYS N N 15 117.995 0.2 . 1 . . . . . . . . 5975 1 158 . 1 1 17 17 LYS H H 1 8.445 0.01 . 1 . . . . . . . . 5975 1 159 . 1 1 17 17 LYS CA C 13 61.687 0.2 . 1 . . . . . . . . 5975 1 160 . 1 1 17 17 LYS HA H 1 3.916 0.01 . 1 . . . . . . . . 5975 1 161 . 1 1 17 17 LYS CB C 13 32.148 0.2 . 1 . . . . . . . . 5975 1 162 . 1 1 17 17 LYS HB2 H 1 2.023 0.01 . 2 . . . . . . . . 5975 1 163 . 1 1 17 17 LYS HG3 H 1 1.539 0.01 . 2 . . . . . . . . 5975 1 164 . 1 1 17 17 LYS HG2 H 1 1.450 0.01 . 2 . . . . . . . . 5975 1 165 . 1 1 17 17 LYS CD C 13 27.637 0.2 . 1 . . . . . . . . 5975 1 166 . 1 1 17 17 LYS HD3 H 1 1.781 0.01 . 2 . . . . . . . . 5975 1 167 . 1 1 17 17 LYS HD2 H 1 1.732 0.01 . 2 . . . . . . . . 5975 1 168 . 1 1 17 17 LYS CE C 13 41.848 0.2 . 1 . . . . . . . . 5975 1 169 . 1 1 17 17 LYS HE2 H 1 2.871 0.01 . 2 . . . . . . . . 5975 1 170 . 1 1 18 18 ASN N N 15 117.708 0.2 . 1 . . . . . . . . 5975 1 171 . 1 1 18 18 ASN H H 1 8.469 0.01 . 1 . . . . . . . . 5975 1 172 . 1 1 18 18 ASN CA C 13 55.990 0.2 . 1 . . . . . . . . 5975 1 173 . 1 1 18 18 ASN HA H 1 4.531 0.01 . 1 . . . . . . . . 5975 1 174 . 1 1 18 18 ASN CB C 13 37.846 0.2 . 1 . . . . . . . . 5975 1 175 . 1 1 18 18 ASN HB3 H 1 2.948 0.01 . 2 . . . . . . . . 5975 1 176 . 1 1 18 18 ASN HB2 H 1 2.813 0.01 . 2 . . . . . . . . 5975 1 177 . 1 1 18 18 ASN ND2 N 15 112.046 0.2 . 1 . . . . . . . . 5975 1 178 . 1 1 18 18 ASN HD21 H 1 6.861 0.01 . 2 . . . . . . . . 5975 1 179 . 1 1 18 18 ASN HD22 H 1 7.559 0.01 . 2 . . . . . . . . 5975 1 180 . 1 1 19 19 GLU N N 15 123.153 0.2 . 1 . . . . . . . . 5975 1 181 . 1 1 19 19 GLU H H 1 7.981 0.01 . 1 . . . . . . . . 5975 1 182 . 1 1 19 19 GLU CA C 13 59.451 0.2 . 1 . . . . . . . . 5975 1 183 . 1 1 19 19 GLU HA H 1 4.166 0.01 . 1 . . . . . . . . 5975 1 184 . 1 1 19 19 GLU CB C 13 29.914 0.2 . 1 . . . . . . . . 5975 1 185 . 1 1 19 19 GLU HB3 H 1 2.077 0.01 . 2 . . . . . . . . 5975 1 186 . 1 1 19 19 GLU HB2 H 1 1.995 0.01 . 2 . . . . . . . . 5975 1 187 . 1 1 19 19 GLU CG C 13 36.280 0.2 . 1 . . . . . . . . 5975 1 188 . 1 1 19 19 GLU HG3 H 1 2.403 0.01 . 2 . . . . . . . . 5975 1 189 . 1 1 19 19 GLU HG2 H 1 2.213 0.01 . 2 . . . . . . . . 5975 1 190 . 1 1 20 20 PHE N N 15 119.562 0.2 . 1 . . . . . . . . 5975 1 191 . 1 1 20 20 PHE H H 1 8.445 0.01 . 1 . . . . . . . . 5975 1 192 . 1 1 20 20 PHE CA C 13 58.495 0.2 . 1 . . . . . . . . 5975 1 193 . 1 1 20 20 PHE HA H 1 5.053 0.01 . 1 . . . . . . . . 5975 1 194 . 1 1 20 20 PHE HB3 H 1 3.531 0.01 . 2 . . . . . . . . 5975 1 195 . 1 1 20 20 PHE HB2 H 1 3.501 0.01 . 2 . . . . . . . . 5975 1 196 . 1 1 20 20 PHE HD1 H 1 7.196 0.01 . 3 . . . . . . . . 5975 1 197 . 1 1 20 20 PHE HE1 H 1 7.288 0.01 . 3 . . . . . . . . 5975 1 198 . 1 1 21 21 LYS N N 15 122.508 0.2 . 1 . . . . . . . . 5975 1 199 . 1 1 21 21 LYS H H 1 8.947 0.01 . 1 . . . . . . . . 5975 1 200 . 1 1 21 21 LYS CA C 13 58.757 0.2 . 1 . . . . . . . . 5975 1 201 . 1 1 21 21 LYS HA H 1 4.001 0.01 . 1 . . . . . . . . 5975 1 202 . 1 1 21 21 LYS HB3 H 1 2.021 0.01 . 2 . . . . . . . . 5975 1 203 . 1 1 21 21 LYS HB2 H 1 1.794 0.01 . 2 . . . . . . . . 5975 1 204 . 1 1 21 21 LYS CG C 13 24.482 0.2 . 1 . . . . . . . . 5975 1 205 . 1 1 21 21 LYS HG3 H 1 1.226 0.01 . 2 . . . . . . . . 5975 1 206 . 1 1 21 21 LYS HG2 H 1 1.057 0.01 . 2 . . . . . . . . 5975 1 207 . 1 1 21 21 LYS CD C 13 27.478 0.2 . 1 . . . . . . . . 5975 1 208 . 1 1 21 21 LYS HD3 H 1 1.407 0.01 . 2 . . . . . . . . 5975 1 209 . 1 1 21 21 LYS HD2 H 1 0.669 0.01 . 2 . . . . . . . . 5975 1 210 . 1 1 21 21 LYS HE3 H 1 2.796 0.01 . 2 . . . . . . . . 5975 1 211 . 1 1 22 22 ALA N N 15 120.398 0.2 . 1 . . . . . . . . 5975 1 212 . 1 1 22 22 ALA H H 1 7.836 0.01 . 1 . . . . . . . . 5975 1 213 . 1 1 22 22 ALA CA C 13 54.646 0.2 . 1 . . . . . . . . 5975 1 214 . 1 1 22 22 ALA HA H 1 4.186 0.01 . 1 . . . . . . . . 5975 1 215 . 1 1 22 22 ALA CB C 13 17.644 0.2 . 1 . . . . . . . . 5975 1 216 . 1 1 22 22 ALA HB1 H 1 1.538 0.01 . 1 . . . . . . . . 5975 1 217 . 1 1 22 22 ALA HB2 H 1 1.538 0.01 . 1 . . . . . . . . 5975 1 218 . 1 1 22 22 ALA HB3 H 1 1.538 0.01 . 1 . . . . . . . . 5975 1 219 . 1 1 23 23 ALA N N 15 119.255 0.2 . 1 . . . . . . . . 5975 1 220 . 1 1 23 23 ALA H H 1 7.516 0.01 . 1 . . . . . . . . 5975 1 221 . 1 1 23 23 ALA CA C 13 54.646 0.2 . 1 . . . . . . . . 5975 1 222 . 1 1 23 23 ALA HA H 1 4.173 0.01 . 1 . . . . . . . . 5975 1 223 . 1 1 23 23 ALA CB C 13 18.346 0.2 . 1 . . . . . . . . 5975 1 224 . 1 1 23 23 ALA HB1 H 1 1.794 0.01 . 1 . . . . . . . . 5975 1 225 . 1 1 23 23 ALA HB2 H 1 1.794 0.01 . 1 . . . . . . . . 5975 1 226 . 1 1 23 23 ALA HB3 H 1 1.794 0.01 . 1 . . . . . . . . 5975 1 227 . 1 1 24 24 PHE N N 15 119.644 0.2 . 1 . . . . . . . . 5975 1 228 . 1 1 24 24 PHE H H 1 8.447 0.01 . 1 . . . . . . . . 5975 1 229 . 1 1 24 24 PHE CA C 13 62.294 0.2 . 1 . . . . . . . . 5975 1 230 . 1 1 24 24 PHE HA H 1 3.556 0.01 . 1 . . . . . . . . 5975 1 231 . 1 1 24 24 PHE HB3 H 1 3.176 0.01 . 2 . . . . . . . . 5975 1 232 . 1 1 24 24 PHE HB2 H 1 2.794 0.01 . 2 . . . . . . . . 5975 1 233 . 1 1 24 24 PHE HD1 H 1 6.551 0.01 . 3 . . . . . . . . 5975 1 234 . 1 1 24 24 PHE HE1 H 1 7.195 0.01 . 3 . . . . . . . . 5975 1 235 . 1 1 24 24 PHE HZ H 1 7.576 0.01 . 1 . . . . . . . . 5975 1 236 . 1 1 25 25 ASP N N 15 115.743 0.2 . 1 . . . . . . . . 5975 1 237 . 1 1 25 25 ASP H H 1 8.582 0.01 . 1 . . . . . . . . 5975 1 238 . 1 1 25 25 ASP CA C 13 56.650 0.2 . 1 . . . . . . . . 5975 1 239 . 1 1 25 25 ASP HA H 1 4.295 0.01 . 1 . . . . . . . . 5975 1 240 . 1 1 25 25 ASP CB C 13 40.185 0.2 . 1 . . . . . . . . 5975 1 241 . 1 1 25 25 ASP HB3 H 1 2.702 0.01 . 2 . . . . . . . . 5975 1 242 . 1 1 25 25 ASP HB2 H 1 2.475 0.01 . 2 . . . . . . . . 5975 1 243 . 1 1 26 26 ILE N N 15 119.305 0.2 . 1 . . . . . . . . 5975 1 244 . 1 1 26 26 ILE H H 1 7.229 0.01 . 1 . . . . . . . . 5975 1 245 . 1 1 26 26 ILE CA C 13 63.961 0.2 . 1 . . . . . . . . 5975 1 246 . 1 1 26 26 ILE HA H 1 3.663 0.01 . 1 . . . . . . . . 5975 1 247 . 1 1 26 26 ILE CB C 13 37.408 0.2 . 1 . . . . . . . . 5975 1 248 . 1 1 26 26 ILE HB H 1 1.749 0.01 . 1 . . . . . . . . 5975 1 249 . 1 1 26 26 ILE CG1 C 13 28.555 0.2 . 2 . . . . . . . . 5975 1 250 . 1 1 26 26 ILE HG13 H 1 1.572 0.01 . 2 . . . . . . . . 5975 1 251 . 1 1 26 26 ILE HG12 H 1 1.125 0.01 . 2 . . . . . . . . 5975 1 252 . 1 1 26 26 ILE CD1 C 13 12.770 0.2 . 1 . . . . . . . . 5975 1 253 . 1 1 26 26 ILE HD11 H 1 0.787 0.01 . 1 . . . . . . . . 5975 1 254 . 1 1 26 26 ILE HD12 H 1 0.787 0.01 . 1 . . . . . . . . 5975 1 255 . 1 1 26 26 ILE HD13 H 1 0.787 0.01 . 1 . . . . . . . . 5975 1 256 . 1 1 26 26 ILE CG2 C 13 16.834 0.2 . 1 . . . . . . . . 5975 1 257 . 1 1 26 26 ILE HG21 H 1 0.485 0.01 . 1 . . . . . . . . 5975 1 258 . 1 1 26 26 ILE HG22 H 1 0.485 0.01 . 1 . . . . . . . . 5975 1 259 . 1 1 26 26 ILE HG23 H 1 0.485 0.01 . 1 . . . . . . . . 5975 1 260 . 1 1 27 27 PHE N N 15 118.288 0.2 . 1 . . . . . . . . 5975 1 261 . 1 1 27 27 PHE H H 1 7.556 0.01 . 1 . . . . . . . . 5975 1 262 . 1 1 27 27 PHE CA C 13 59.498 0.2 . 1 . . . . . . . . 5975 1 263 . 1 1 27 27 PHE HA H 1 4.439 0.01 . 1 . . . . . . . . 5975 1 264 . 1 1 27 27 PHE HB3 H 1 3.076 0.01 . 2 . . . . . . . . 5975 1 265 . 1 1 27 27 PHE HB2 H 1 2.672 0.01 . 2 . . . . . . . . 5975 1 266 . 1 1 27 27 PHE HD1 H 1 7.275 0.01 . 3 . . . . . . . . 5975 1 267 . 1 1 27 27 PHE HE1 H 1 7.391 0.01 . 3 . . . . . . . . 5975 1 268 . 1 1 28 28 ILE N N 15 113.225 0.2 . 1 . . . . . . . . 5975 1 269 . 1 1 28 28 ILE H H 1 7.484 0.01 . 1 . . . . . . . . 5975 1 270 . 1 1 28 28 ILE CA C 13 61.874 0.2 . 1 . . . . . . . . 5975 1 271 . 1 1 28 28 ILE HA H 1 4.044 0.01 . 1 . . . . . . . . 5975 1 272 . 1 1 28 28 ILE CB C 13 38.171 0.2 . 1 . . . . . . . . 5975 1 273 . 1 1 28 28 ILE HB H 1 1.799 0.01 . 1 . . . . . . . . 5975 1 274 . 1 1 28 28 ILE CG1 C 13 26.366 0.2 . 2 . . . . . . . . 5975 1 275 . 1 1 28 28 ILE HG13 H 1 1.044 0.01 . 2 . . . . . . . . 5975 1 276 . 1 1 28 28 ILE HG12 H 1 0.613 0.01 . 1 . . . . . . . . 5975 1 277 . 1 1 28 28 ILE CD1 C 13 17.943 0.2 . 1 . . . . . . . . 5975 1 278 . 1 1 28 28 ILE HD11 H 1 0.217 0.01 . 1 . . . . . . . . 5975 1 279 . 1 1 28 28 ILE HD12 H 1 0.217 0.01 . 1 . . . . . . . . 5975 1 280 . 1 1 28 28 ILE HD13 H 1 0.217 0.01 . 1 . . . . . . . . 5975 1 281 . 1 1 28 28 ILE HG21 H 1 0.714 0.01 . 1 . . . . . . . . 5975 1 282 . 1 1 28 28 ILE HG22 H 1 0.714 0.01 . 1 . . . . . . . . 5975 1 283 . 1 1 28 28 ILE HG23 H 1 0.714 0.01 . 1 . . . . . . . . 5975 1 284 . 1 1 29 29 GLN N N 15 122.242 0.2 . 1 . . . . . . . . 5975 1 285 . 1 1 29 29 GLN H H 1 7.607 0.01 . 1 . . . . . . . . 5975 1 286 . 1 1 29 29 GLN HA H 1 4.025 0.01 . 1 . . . . . . . . 5975 1 287 . 1 1 29 29 GLN HG2 H 1 2.423 0.01 . 2 . . . . . . . . 5975 1 288 . 1 1 29 29 GLN HB2 H 1 2.097 0.01 . 2 . . . . . . . . 5975 1 289 . 1 1 29 29 GLN NE2 N 15 112.209 0.2 . 1 . . . . . . . . 5975 1 290 . 1 1 29 29 GLN HE21 H 1 7.544 0.01 . 2 . . . . . . . . 5975 1 291 . 1 1 29 29 GLN HE22 H 1 6.787 0.01 . 2 . . . . . . . . 5975 1 292 . 1 1 30 30 ASP N N 15 117.411 0.2 . 1 . . . . . . . . 5975 1 293 . 1 1 30 30 ASP H H 1 8.157 0.01 . 1 . . . . . . . . 5975 1 294 . 1 1 30 30 ASP HA H 1 4.709 0.01 . 1 . . . . . . . . 5975 1 295 . 1 1 30 30 ASP HB3 H 1 2.817 0.01 . 2 . . . . . . . . 5975 1 296 . 1 1 30 30 ASP HB2 H 1 2.606 0.01 . 2 . . . . . . . . 5975 1 297 . 1 1 31 31 ALA N N 15 123.862 0.2 . 1 . . . . . . . . 5975 1 298 . 1 1 31 31 ALA H H 1 7.717 0.01 . 1 . . . . . . . . 5975 1 299 . 1 1 31 31 ALA CA C 13 52.119 0.2 . 1 . . . . . . . . 5975 1 300 . 1 1 31 31 ALA HA H 1 4.438 0.01 . 1 . . . . . . . . 5975 1 301 . 1 1 31 31 ALA CB C 13 19.912 0.2 . 1 . . . . . . . . 5975 1 302 . 1 1 31 31 ALA HB1 H 1 1.527 0.01 . 1 . . . . . . . . 5975 1 303 . 1 1 31 31 ALA HB2 H 1 1.527 0.01 . 1 . . . . . . . . 5975 1 304 . 1 1 31 31 ALA HB3 H 1 1.527 0.01 . 1 . . . . . . . . 5975 1 305 . 1 1 32 32 GLU N N 15 122.683 0.2 . 1 . . . . . . . . 5975 1 306 . 1 1 32 32 GLU H H 1 8.880 0.01 . 1 . . . . . . . . 5975 1 307 . 1 1 32 32 GLU HA H 1 4.190 0.01 . 1 . . . . . . . . 5975 1 308 . 1 1 32 32 GLU CB C 13 29.921 0.2 . 1 . . . . . . . . 5975 1 309 . 1 1 32 32 GLU HB2 H 1 2.021 0.01 . 2 . . . . . . . . 5975 1 310 . 1 1 32 32 GLU CG C 13 36.399 0.2 . 1 . . . . . . . . 5975 1 311 . 1 1 32 32 GLU HG2 H 1 2.299 0.01 . 2 . . . . . . . . 5975 1 312 . 1 1 33 33 ASP N N 15 116.768 0.2 . 1 . . . . . . . . 5975 1 313 . 1 1 33 33 ASP H H 1 8.249 0.01 . 1 . . . . . . . . 5975 1 314 . 1 1 33 33 ASP HA H 1 4.657 0.01 . 1 . . . . . . . . 5975 1 315 . 1 1 33 33 ASP CB C 13 41.077 0.2 . 1 . . . . . . . . 5975 1 316 . 1 1 33 33 ASP HB3 H 1 2.909 0.01 . 2 . . . . . . . . 5975 1 317 . 1 1 33 33 ASP HB2 H 1 2.697 0.01 . 2 . . . . . . . . 5975 1 318 . 1 1 34 34 GLY N N 15 106.453 0.2 . 1 . . . . . . . . 5975 1 319 . 1 1 34 34 GLY H H 1 7.949 0.01 . 1 . . . . . . . . 5975 1 320 . 1 1 34 34 GLY CA C 13 46.705 0.2 . 1 . . . . . . . . 5975 1 321 . 1 1 34 34 GLY HA3 H 1 4.016 0.01 . 2 . . . . . . . . 5975 1 322 . 1 1 34 34 GLY HA2 H 1 3.886 0.01 . 2 . . . . . . . . 5975 1 323 . 1 1 35 35 CYS N N 15 113.700 0.2 . 1 . . . . . . . . 5975 1 324 . 1 1 35 35 CYS H H 1 7.471 0.01 . 1 . . . . . . . . 5975 1 325 . 1 1 35 35 CYS CA C 13 56.777 0.2 . 1 . . . . . . . . 5975 1 326 . 1 1 35 35 CYS HA H 1 5.070 0.01 . 1 . . . . . . . . 5975 1 327 . 1 1 35 35 CYS CB C 13 31.544 0.2 . 1 . . . . . . . . 5975 1 328 . 1 1 35 35 CYS HB3 H 1 2.748 0.01 . 2 . . . . . . . . 5975 1 329 . 1 1 35 35 CYS HB2 H 1 2.653 0.01 . 2 . . . . . . . . 5975 1 330 . 1 1 36 36 ILE N N 15 118.871 0.2 . 1 . . . . . . . . 5975 1 331 . 1 1 36 36 ILE H H 1 8.476 0.01 . 1 . . . . . . . . 5975 1 332 . 1 1 36 36 ILE HA H 1 4.187 0.01 . 1 . . . . . . . . 5975 1 333 . 1 1 36 36 ILE HB H 1 1.658 0.01 . 1 . . . . . . . . 5975 1 334 . 1 1 36 36 ILE HG13 H 1 1.334 0.01 . 1 . . . . . . . . 5975 1 335 . 1 1 36 36 ILE HD11 H 1 0.654 0.01 . 1 . . . . . . . . 5975 1 336 . 1 1 36 36 ILE HD12 H 1 0.654 0.01 . 1 . . . . . . . . 5975 1 337 . 1 1 36 36 ILE HD13 H 1 0.654 0.01 . 1 . . . . . . . . 5975 1 338 . 1 1 36 36 ILE HG21 H 1 0.798 0.01 . 1 . . . . . . . . 5975 1 339 . 1 1 36 36 ILE HG22 H 1 0.798 0.01 . 1 . . . . . . . . 5975 1 340 . 1 1 36 36 ILE HG23 H 1 0.798 0.01 . 1 . . . . . . . . 5975 1 341 . 1 1 37 37 SER N N 15 122.221 0.2 . 1 . . . . . . . . 5975 1 342 . 1 1 37 37 SER H H 1 9.070 0.01 . 1 . . . . . . . . 5975 1 343 . 1 1 37 37 SER HA H 1 4.647 0.01 . 1 . . . . . . . . 5975 1 344 . 1 1 37 37 SER CB C 13 58.393 0.2 . 1 . . . . . . . . 5975 1 345 . 1 1 37 37 SER HB3 H 1 4.214 0.01 . 2 . . . . . . . . 5975 1 346 . 1 1 37 37 SER HB2 H 1 3.826 0.01 . 2 . . . . . . . . 5975 1 347 . 1 1 38 38 THR N N 15 117.499 0.2 . 1 . . . . . . . . 5975 1 348 . 1 1 38 38 THR H H 1 8.480 0.01 . 1 . . . . . . . . 5975 1 349 . 1 1 38 38 THR CA C 13 65.593 0.2 . 1 . . . . . . . . 5975 1 350 . 1 1 38 38 THR HA H 1 3.766 0.01 . 1 . . . . . . . . 5975 1 351 . 1 1 38 38 THR CB C 13 67.398 0.2 . 1 . . . . . . . . 5975 1 352 . 1 1 38 38 THR HB H 1 4.262 0.01 . 1 . . . . . . . . 5975 1 353 . 1 1 38 38 THR HG21 H 1 1.074 0.01 . 1 . . . . . . . . 5975 1 354 . 1 1 38 38 THR HG22 H 1 1.074 0.01 . 1 . . . . . . . . 5975 1 355 . 1 1 38 38 THR HG23 H 1 1.074 0.01 . 1 . . . . . . . . 5975 1 356 . 1 1 39 39 LYS N N 15 120.001 0.2 . 1 . . . . . . . . 5975 1 357 . 1 1 39 39 LYS H H 1 8.019 0.01 . 1 . . . . . . . . 5975 1 358 . 1 1 39 39 LYS CA C 13 58.425 0.2 . 1 . . . . . . . . 5975 1 359 . 1 1 39 39 LYS HA H 1 4.165 0.01 . 1 . . . . . . . . 5975 1 360 . 1 1 39 39 LYS CB C 13 32.713 0.2 . 1 . . . . . . . . 5975 1 361 . 1 1 39 39 LYS HB3 H 1 1.863 0.01 . 2 . . . . . . . . 5975 1 362 . 1 1 39 39 LYS CG C 13 25.007 0.2 . 1 . . . . . . . . 5975 1 363 . 1 1 39 39 LYS HG3 H 1 1.499 0.01 . 2 . . . . . . . . 5975 1 364 . 1 1 39 39 LYS HD3 H 1 1.711 0.01 . 2 . . . . . . . . 5975 1 365 . 1 1 39 39 LYS CE C 13 41.867 0.2 . 1 . . . . . . . . 5975 1 366 . 1 1 39 39 LYS HE3 H 1 3.010 0.01 . 2 . . . . . . . . 5975 1 367 . 1 1 40 40 GLU N N 15 116.854 0.2 . 1 . . . . . . . . 5975 1 368 . 1 1 40 40 GLU H H 1 7.635 0.01 . 1 . . . . . . . . 5975 1 369 . 1 1 40 40 GLU HA H 1 4.547 0.01 . 1 . . . . . . . . 5975 1 370 . 1 1 40 40 GLU CB C 13 30.113 0.2 . 1 . . . . . . . . 5975 1 371 . 1 1 40 40 GLU HB3 H 1 2.233 0.01 . 2 . . . . . . . . 5975 1 372 . 1 1 40 40 GLU HB2 H 1 1.930 0.01 . 2 . . . . . . . . 5975 1 373 . 1 1 40 40 GLU HG2 H 1 2.359 0.01 . 2 . . . . . . . . 5975 1 374 . 1 1 41 41 LEU N N 15 119.254 0.2 . 1 . . . . . . . . 5975 1 375 . 1 1 41 41 LEU H H 1 7.489 0.01 . 1 . . . . . . . . 5975 1 376 . 1 1 41 41 LEU CA C 13 57.656 0.2 . 1 . . . . . . . . 5975 1 377 . 1 1 41 41 LEU HA H 1 3.833 0.01 . 1 . . . . . . . . 5975 1 378 . 1 1 41 41 LEU HB3 H 1 1.629 0.01 . 2 . . . . . . . . 5975 1 379 . 1 1 41 41 LEU HB2 H 1 1.528 0.01 . 2 . . . . . . . . 5975 1 380 . 1 1 41 41 LEU HG H 1 1.692 0.01 . 1 . . . . . . . . 5975 1 381 . 1 1 41 41 LEU CD1 C 13 24.536 0.2 . 1 . . . . . . . . 5975 1 382 . 1 1 41 41 LEU HD11 H 1 0.776 0.01 . 2 . . . . . . . . 5975 1 383 . 1 1 41 41 LEU HD12 H 1 0.776 0.01 . 2 . . . . . . . . 5975 1 384 . 1 1 41 41 LEU HD13 H 1 0.776 0.01 . 2 . . . . . . . . 5975 1 385 . 1 1 41 41 LEU CD2 C 13 24.656 0.2 . 1 . . . . . . . . 5975 1 386 . 1 1 41 41 LEU HD21 H 1 0.862 0.01 . 2 . . . . . . . . 5975 1 387 . 1 1 41 41 LEU HD22 H 1 0.862 0.01 . 2 . . . . . . . . 5975 1 388 . 1 1 41 41 LEU HD23 H 1 0.862 0.01 . 2 . . . . . . . . 5975 1 389 . 1 1 42 42 GLY N N 15 107.377 0.2 . 1 . . . . . . . . 5975 1 390 . 1 1 42 42 GLY H H 1 8.718 0.01 . 1 . . . . . . . . 5975 1 391 . 1 1 42 42 GLY CA C 13 47.714 0.2 . 1 . . . . . . . . 5975 1 392 . 1 1 42 42 GLY HA3 H 1 3.855 0.01 . 2 . . . . . . . . 5975 1 393 . 1 1 42 42 GLY HA2 H 1 3.534 0.01 . 2 . . . . . . . . 5975 1 394 . 1 1 43 43 LYS N N 15 121.777 0.2 . 1 . . . . . . . . 5975 1 395 . 1 1 43 43 LYS H H 1 7.434 0.01 . 1 . . . . . . . . 5975 1 396 . 1 1 43 43 LYS CA C 13 59.466 0.2 . 1 . . . . . . . . 5975 1 397 . 1 1 43 43 LYS HA H 1 4.001 0.01 . 1 . . . . . . . . 5975 1 398 . 1 1 43 43 LYS CB C 13 32.332 0.2 . 1 . . . . . . . . 5975 1 399 . 1 1 43 43 LYS HB2 H 1 1.934 0.01 . 2 . . . . . . . . 5975 1 400 . 1 1 43 43 LYS CG C 13 25.249 0.2 . 1 . . . . . . . . 5975 1 401 . 1 1 43 43 LYS HG3 H 1 1.575 0.01 . 2 . . . . . . . . 5975 1 402 . 1 1 43 43 LYS HG2 H 1 1.417 0.01 . 2 . . . . . . . . 5975 1 403 . 1 1 43 43 LYS CD C 13 29.642 0.2 . 1 . . . . . . . . 5975 1 404 . 1 1 43 43 LYS HD2 H 1 1.801 0.01 . 2 . . . . . . . . 5975 1 405 . 1 1 43 43 LYS CE C 13 41.867 0.2 . 1 . . . . . . . . 5975 1 406 . 1 1 43 43 LYS HE3 H 1 3.010 0.01 . 2 . . . . . . . . 5975 1 407 . 1 1 44 44 VAL N N 15 120.105 0.2 . 1 . . . . . . . . 5975 1 408 . 1 1 44 44 VAL H H 1 7.434 0.01 . 1 . . . . . . . . 5975 1 409 . 1 1 44 44 VAL CA C 13 65.744 0.2 . 1 . . . . . . . . 5975 1 410 . 1 1 44 44 VAL HA H 1 3.375 0.01 . 1 . . . . . . . . 5975 1 411 . 1 1 44 44 VAL CB C 13 31.434 0.2 . 1 . . . . . . . . 5975 1 412 . 1 1 44 44 VAL HB H 1 1.938 0.01 . 1 . . . . . . . . 5975 1 413 . 1 1 44 44 VAL CG2 C 13 21.804 0.2 . 1 . . . . . . . . 5975 1 414 . 1 1 44 44 VAL HG21 H 1 0.535 0.01 . 2 . . . . . . . . 5975 1 415 . 1 1 44 44 VAL HG22 H 1 0.535 0.01 . 2 . . . . . . . . 5975 1 416 . 1 1 44 44 VAL HG23 H 1 0.535 0.01 . 2 . . . . . . . . 5975 1 417 . 1 1 44 44 VAL CG1 C 13 21.050 0.2 . 1 . . . . . . . . 5975 1 418 . 1 1 44 44 VAL HG11 H 1 0.580 0.01 . 2 . . . . . . . . 5975 1 419 . 1 1 44 44 VAL HG12 H 1 0.580 0.01 . 2 . . . . . . . . 5975 1 420 . 1 1 44 44 VAL HG13 H 1 0.580 0.01 . 2 . . . . . . . . 5975 1 421 . 1 1 45 45 MET N N 15 115.995 0.2 . 1 . . . . . . . . 5975 1 422 . 1 1 45 45 MET H H 1 8.207 0.01 . 1 . . . . . . . . 5975 1 423 . 1 1 45 45 MET CA C 13 58.531 0.2 . 1 . . . . . . . . 5975 1 424 . 1 1 45 45 MET HA H 1 4.041 0.01 . 1 . . . . . . . . 5975 1 425 . 1 1 45 45 MET HB3 H 1 2.194 0.01 . 2 . . . . . . . . 5975 1 426 . 1 1 45 45 MET HB2 H 1 2.107 0.01 . 2 . . . . . . . . 5975 1 427 . 1 1 45 45 MET CG C 13 33.534 0.2 . 1 . . . . . . . . 5975 1 428 . 1 1 45 45 MET HG3 H 1 2.531 0.01 . 2 . . . . . . . . 5975 1 429 . 1 1 45 45 MET HG2 H 1 2.407 0.01 . 2 . . . . . . . . 5975 1 430 . 1 1 45 45 MET CE C 13 18.128 0.2 . 1 . . . . . . . . 5975 1 431 . 1 1 45 45 MET HE1 H 1 1.759 0.01 . 1 . . . . . . . . 5975 1 432 . 1 1 45 45 MET HE2 H 1 1.759 0.01 . 1 . . . . . . . . 5975 1 433 . 1 1 45 45 MET HE3 H 1 1.759 0.01 . 1 . . . . . . . . 5975 1 434 . 1 1 46 46 ARG N N 15 119.033 0.2 . 1 . . . . . . . . 5975 1 435 . 1 1 46 46 ARG H H 1 7.898 0.01 . 1 . . . . . . . . 5975 1 436 . 1 1 46 46 ARG CA C 13 59.147 0.2 . 1 . . . . . . . . 5975 1 437 . 1 1 46 46 ARG HA H 1 4.567 0.01 . 1 . . . . . . . . 5975 1 438 . 1 1 46 46 ARG CD C 13 43.309 0.2 . 1 . . . . . . . . 5975 1 439 . 1 1 46 46 ARG HB2 H 1 1.952 0.01 . 2 . . . . . . . . 5975 1 440 . 1 1 46 46 ARG CG C 13 29.443 0.2 . 1 . . . . . . . . 5975 1 441 . 1 1 46 46 ARG HG2 H 1 1.779 0.01 . 2 . . . . . . . . 5975 1 442 . 1 1 46 46 ARG HD3 H 1 3.267 0.01 . 2 . . . . . . . . 5975 1 443 . 1 1 46 46 ARG HD2 H 1 3.180 0.01 . 2 . . . . . . . . 5975 1 444 . 1 1 47 47 MET N N 15 121.876 0.2 . 1 . . . . . . . . 5975 1 445 . 1 1 47 47 MET H H 1 8.034 0.01 . 1 . . . . . . . . 5975 1 446 . 1 1 47 47 MET CA C 13 58.844 0.2 . 1 . . . . . . . . 5975 1 447 . 1 1 47 47 MET HA H 1 4.301 0.01 . 1 . . . . . . . . 5975 1 448 . 1 1 47 47 MET CB C 13 32.433 0.2 . 1 . . . . . . . . 5975 1 449 . 1 1 47 47 MET HB3 H 1 2.865 0.01 . 2 . . . . . . . . 5975 1 450 . 1 1 47 47 MET HB2 H 1 2.499 0.01 . 2 . . . . . . . . 5975 1 451 . 1 1 47 47 MET CG C 13 32.640 0.2 . 1 . . . . . . . . 5975 1 452 . 1 1 47 47 MET HG3 H 1 2.926 0.01 . 2 . . . . . . . . 5975 1 453 . 1 1 47 47 MET HG2 H 1 2.753 0.01 . 2 . . . . . . . . 5975 1 454 . 1 1 48 48 LEU N N 15 118.282 0.2 . 1 . . . . . . . . 5975 1 455 . 1 1 48 48 LEU H H 1 7.614 0.01 . 1 . . . . . . . . 5975 1 456 . 1 1 48 48 LEU CA C 13 54.658 0.2 . 1 . . . . . . . . 5975 1 457 . 1 1 48 48 LEU HA H 1 4.527 0.01 . 1 . . . . . . . . 5975 1 458 . 1 1 48 48 LEU HB3 H 1 1.938 0.01 . 2 . . . . . . . . 5975 1 459 . 1 1 48 48 LEU HB2 H 1 1.866 0.01 . 2 . . . . . . . . 5975 1 460 . 1 1 48 48 LEU CG C 13 26.581 0.2 . 1 . . . . . . . . 5975 1 461 . 1 1 48 48 LEU HG H 1 1.989 0.01 . 1 . . . . . . . . 5975 1 462 . 1 1 48 48 LEU CD1 C 13 26.638 0.2 . 1 . . . . . . . . 5975 1 463 . 1 1 48 48 LEU HD11 H 1 0.955 0.01 . 2 . . . . . . . . 5975 1 464 . 1 1 48 48 LEU HD12 H 1 0.955 0.01 . 2 . . . . . . . . 5975 1 465 . 1 1 48 48 LEU HD13 H 1 0.955 0.01 . 2 . . . . . . . . 5975 1 466 . 1 1 48 48 LEU HD21 H 1 1.099 0.01 . 2 . . . . . . . . 5975 1 467 . 1 1 48 48 LEU HD22 H 1 1.099 0.01 . 2 . . . . . . . . 5975 1 468 . 1 1 48 48 LEU HD23 H 1 1.099 0.01 . 2 . . . . . . . . 5975 1 469 . 1 1 49 49 GLY N N 15 107.494 0.2 . 1 . . . . . . . . 5975 1 470 . 1 1 49 49 GLY H H 1 7.882 0.01 . 1 . . . . . . . . 5975 1 471 . 1 1 49 49 GLY CA C 13 45.789 0.2 . 1 . . . . . . . . 5975 1 472 . 1 1 49 49 GLY HA3 H 1 4.246 0.01 . 2 . . . . . . . . 5975 1 473 . 1 1 49 49 GLY HA2 H 1 3.831 0.01 . 2 . . . . . . . . 5975 1 474 . 1 1 50 50 GLN N N 15 118.713 0.2 . 1 . . . . . . . . 5975 1 475 . 1 1 50 50 GLN H H 1 8.128 0.01 . 1 . . . . . . . . 5975 1 476 . 1 1 50 50 GLN CA C 13 53.861 0.2 . 1 . . . . . . . . 5975 1 477 . 1 1 50 50 GLN HA H 1 4.488 0.01 . 1 . . . . . . . . 5975 1 478 . 1 1 50 50 GLN HB2 H 1 1.642 0.01 . 4 . . . . . . . . 5975 1 479 . 1 1 50 50 GLN CG C 13 33.109 0.2 . 1 . . . . . . . . 5975 1 480 . 1 1 50 50 GLN HG2 H 1 2.185 0.01 . 4 . . . . . . . . 5975 1 481 . 1 1 50 50 GLN NE2 N 15 112.010 0.2 . 1 . . . . . . . . 5975 1 482 . 1 1 50 50 GLN HE21 H 1 6.777 0.01 . 2 . . . . . . . . 5975 1 483 . 1 1 50 50 GLN HE22 H 1 7.345 0.01 . 2 . . . . . . . . 5975 1 484 . 1 1 51 51 ASN N N 15 117.085 0.2 . 1 . . . . . . . . 5975 1 485 . 1 1 51 51 ASN H H 1 8.697 0.01 . 1 . . . . . . . . 5975 1 486 . 1 1 51 51 ASN CA C 13 51.218 0.2 . 1 . . . . . . . . 5975 1 487 . 1 1 51 51 ASN HA H 1 5.121 0.01 . 1 . . . . . . . . 5975 1 488 . 1 1 51 51 ASN CB C 13 39.387 0.2 . 1 . . . . . . . . 5975 1 489 . 1 1 51 51 ASN HB3 H 1 2.763 0.01 . 2 . . . . . . . . 5975 1 490 . 1 1 51 51 ASN HB2 H 1 2.524 0.01 . 2 . . . . . . . . 5975 1 491 . 1 1 51 51 ASN ND2 N 15 112.320 0.2 . 1 . . . . . . . . 5975 1 492 . 1 1 51 51 ASN HD21 H 1 6.713 0.01 . 2 . . . . . . . . 5975 1 493 . 1 1 51 51 ASN HD22 H 1 7.504 0.01 . 2 . . . . . . . . 5975 1 494 . 1 1 52 52 PRO CA C 13 62.452 0.2 . 1 . . . . . . . . 5975 1 495 . 1 1 52 52 PRO HA H 1 4.766 0.01 . 1 . . . . . . . . 5975 1 496 . 1 1 52 52 PRO HB3 H 1 2.301 0.01 . 2 . . . . . . . . 5975 1 497 . 1 1 52 52 PRO HB2 H 1 2.185 0.01 . 2 . . . . . . . . 5975 1 498 . 1 1 52 52 PRO HG3 H 1 1.995 0.01 . 2 . . . . . . . . 5975 1 499 . 1 1 52 52 PRO HG2 H 1 1.884 0.01 . 2 . . . . . . . . 5975 1 500 . 1 1 52 52 PRO CD C 13 49.922 0.2 . 1 . . . . . . . . 5975 1 501 . 1 1 52 52 PRO HD3 H 1 3.621 0.01 . 2 . . . . . . . . 5975 1 502 . 1 1 52 52 PRO HD2 H 1 3.308 0.01 . 2 . . . . . . . . 5975 1 503 . 1 1 53 53 THR N N 15 114.500 0.2 . 1 . . . . . . . . 5975 1 504 . 1 1 53 53 THR H H 1 8.783 0.01 . 1 . . . . . . . . 5975 1 505 . 1 1 53 53 THR CA C 13 60.469 0.2 . 1 . . . . . . . . 5975 1 506 . 1 1 53 53 THR HA H 1 4.612 0.01 . 1 . . . . . . . . 5975 1 507 . 1 1 53 53 THR CB C 13 68.067 0.2 . 1 . . . . . . . . 5975 1 508 . 1 1 53 53 THR HB H 1 4.784 0.01 . 1 . . . . . . . . 5975 1 509 . 1 1 53 53 THR HG21 H 1 1.405 0.01 . 1 . . . . . . . . 5975 1 510 . 1 1 53 53 THR HG22 H 1 1.405 0.01 . 1 . . . . . . . . 5975 1 511 . 1 1 53 53 THR HG23 H 1 1.405 0.01 . 1 . . . . . . . . 5975 1 512 . 1 1 54 54 PRO CA C 13 66.164 0.2 . 1 . . . . . . . . 5975 1 513 . 1 1 54 54 PRO HA H 1 4.172 0.01 . 1 . . . . . . . . 5975 1 514 . 1 1 54 54 PRO HB3 H 1 2.407 0.01 . 2 . . . . . . . . 5975 1 515 . 1 1 54 54 PRO CG C 13 28.191 0.2 . 1 . . . . . . . . 5975 1 516 . 1 1 54 54 PRO HG2 H 1 2.116 0.01 . 2 . . . . . . . . 5975 1 517 . 1 1 54 54 PRO CD C 13 50.181 0.2 . 1 . . . . . . . . 5975 1 518 . 1 1 54 54 PRO HD2 H 1 3.917 0.01 . 2 . . . . . . . . 5975 1 519 . 1 1 55 55 GLU N N 15 117.600 0.2 . 1 . . . . . . . . 5975 1 520 . 1 1 55 55 GLU H H 1 8.817 0.01 . 1 . . . . . . . . 5975 1 521 . 1 1 55 55 GLU CA C 13 60.468 0.2 . 1 . . . . . . . . 5975 1 522 . 1 1 55 55 GLU HA H 1 4.026 0.01 . 1 . . . . . . . . 5975 1 523 . 1 1 55 55 GLU CB C 13 28.768 0.2 . 1 . . . . . . . . 5975 1 524 . 1 1 55 55 GLU HB3 H 1 2.054 0.01 . 2 . . . . . . . . 5975 1 525 . 1 1 55 55 GLU HB2 H 1 1.954 0.01 . 2 . . . . . . . . 5975 1 526 . 1 1 55 55 GLU CG C 13 37.300 0.2 . 1 . . . . . . . . 5975 1 527 . 1 1 55 55 GLU HG3 H 1 2.470 0.01 . 2 . . . . . . . . 5975 1 528 . 1 1 55 55 GLU HG2 H 1 2.243 0.01 . 2 . . . . . . . . 5975 1 529 . 1 1 56 56 GLU N N 15 121.659 0.2 . 1 . . . . . . . . 5975 1 530 . 1 1 56 56 GLU H H 1 7.761 0.01 . 1 . . . . . . . . 5975 1 531 . 1 1 56 56 GLU CA C 13 58.458 0.2 . 1 . . . . . . . . 5975 1 532 . 1 1 56 56 GLU HA H 1 4.006 0.01 . 1 . . . . . . . . 5975 1 533 . 1 1 56 56 GLU CB C 13 30.122 0.2 . 1 . . . . . . . . 5975 1 534 . 1 1 56 56 GLU HB3 H 1 2.306 0.01 . 2 . . . . . . . . 5975 1 535 . 1 1 56 56 GLU HB2 H 1 1.893 0.01 . 2 . . . . . . . . 5975 1 536 . 1 1 57 57 LEU N N 15 121.062 0.2 . 1 . . . . . . . . 5975 1 537 . 1 1 57 57 LEU H H 1 8.573 0.01 . 1 . . . . . . . . 5975 1 538 . 1 1 57 57 LEU CA C 13 57.807 0.2 . 1 . . . . . . . . 5975 1 539 . 1 1 57 57 LEU HA H 1 3.988 0.01 . 1 . . . . . . . . 5975 1 540 . 1 1 57 57 LEU CB C 13 41.846 0.2 . 1 . . . . . . . . 5975 1 541 . 1 1 57 57 LEU HB3 H 1 1.789 0.01 . 2 . . . . . . . . 5975 1 542 . 1 1 57 57 LEU HB2 H 1 1.487 0.01 . 2 . . . . . . . . 5975 1 543 . 1 1 57 57 LEU HG H 1 1.572 0.01 . 1 . . . . . . . . 5975 1 544 . 1 1 57 57 LEU CD1 C 13 25.164 0.2 . 1 . . . . . . . . 5975 1 545 . 1 1 57 57 LEU HD11 H 1 0.805 0.01 . 2 . . . . . . . . 5975 1 546 . 1 1 57 57 LEU HD12 H 1 0.805 0.01 . 2 . . . . . . . . 5975 1 547 . 1 1 57 57 LEU HD13 H 1 0.805 0.01 . 2 . . . . . . . . 5975 1 548 . 1 1 58 58 GLN N N 15 117.662 0.2 . 1 . . . . . . . . 5975 1 549 . 1 1 58 58 GLN H H 1 7.888 0.01 . 1 . . . . . . . . 5975 1 550 . 1 1 58 58 GLN HA H 1 3.870 0.01 . 1 . . . . . . . . 5975 1 551 . 1 1 58 58 GLN CB C 13 28.712 0.2 . 1 . . . . . . . . 5975 1 552 . 1 1 58 58 GLN HB2 H 1 2.132 0.01 . 2 . . . . . . . . 5975 1 553 . 1 1 58 58 GLN CG C 13 33.807 0.2 . 1 . . . . . . . . 5975 1 554 . 1 1 58 58 GLN HG2 H 1 2.394 0.01 . 2 . . . . . . . . 5975 1 555 . 1 1 58 58 GLN NE2 N 15 115.828 0.2 . 1 . . . . . . . . 5975 1 556 . 1 1 58 58 GLN HE21 H 1 6.806 0.01 . 2 . . . . . . . . 5975 1 557 . 1 1 58 58 GLN HE22 H 1 7.790 0.01 . 2 . . . . . . . . 5975 1 558 . 1 1 59 59 GLU N N 15 118.315 0.2 . 1 . . . . . . . . 5975 1 559 . 1 1 59 59 GLU H H 1 7.701 0.01 . 1 . . . . . . . . 5975 1 560 . 1 1 59 59 GLU CA C 13 59.357 0.2 . 1 . . . . . . . . 5975 1 561 . 1 1 59 59 GLU HA H 1 4.068 0.01 . 1 . . . . . . . . 5975 1 562 . 1 1 59 59 GLU CB C 13 29.555 0.2 . 1 . . . . . . . . 5975 1 563 . 1 1 59 59 GLU HB2 H 1 2.078 0.01 . 2 . . . . . . . . 5975 1 564 . 1 1 59 59 GLU CG C 13 36.510 0.2 . 1 . . . . . . . . 5975 1 565 . 1 1 59 59 GLU HG3 H 1 2.426 0.01 . 2 . . . . . . . . 5975 1 566 . 1 1 59 59 GLU HG2 H 1 2.197 0.01 . 2 . . . . . . . . 5975 1 567 . 1 1 60 60 MET N N 15 117.671 0.2 . 1 . . . . . . . . 5975 1 568 . 1 1 60 60 MET H H 1 7.821 0.01 . 1 . . . . . . . . 5975 1 569 . 1 1 60 60 MET CA C 13 58.902 0.2 . 1 . . . . . . . . 5975 1 570 . 1 1 60 60 MET HA H 1 3.984 0.01 . 1 . . . . . . . . 5975 1 571 . 1 1 60 60 MET CB C 13 32.512 0.2 . 1 . . . . . . . . 5975 1 572 . 1 1 60 60 MET HB3 H 1 2.162 0.01 . 1 . . . . . . . . 5975 1 573 . 1 1 60 60 MET HB2 H 1 2.162 0.01 . 1 . . . . . . . . 5975 1 574 . 1 1 60 60 MET CG C 13 32.184 0.2 . 1 . . . . . . . . 5975 1 575 . 1 1 60 60 MET HG3 H 1 2.492 0.01 . 2 . . . . . . . . 5975 1 576 . 1 1 60 60 MET HG2 H 1 2.407 0.01 . 2 . . . . . . . . 5975 1 577 . 1 1 61 61 ILE N N 15 120.370 0.2 . 1 . . . . . . . . 5975 1 578 . 1 1 61 61 ILE H H 1 8.308 0.01 . 1 . . . . . . . . 5975 1 579 . 1 1 61 61 ILE CA C 13 66.401 0.2 . 1 . . . . . . . . 5975 1 580 . 1 1 61 61 ILE HA H 1 3.240 0.01 . 1 . . . . . . . . 5975 1 581 . 1 1 61 61 ILE CB C 13 37.950 0.2 . 1 . . . . . . . . 5975 1 582 . 1 1 61 61 ILE HB H 1 1.891 0.01 . 1 . . . . . . . . 5975 1 583 . 1 1 61 61 ILE HG13 H 1 1.778 0.01 . 2 . . . . . . . . 5975 1 584 . 1 1 61 61 ILE HG12 H 1 0.791 0.01 . 2 . . . . . . . . 5975 1 585 . 1 1 61 61 ILE CD1 C 13 14.185 0.2 . 1 . . . . . . . . 5975 1 586 . 1 1 61 61 ILE HD11 H 1 0.711 0.01 . 1 . . . . . . . . 5975 1 587 . 1 1 61 61 ILE HD12 H 1 0.711 0.01 . 1 . . . . . . . . 5975 1 588 . 1 1 61 61 ILE HD13 H 1 0.711 0.01 . 1 . . . . . . . . 5975 1 589 . 1 1 61 61 ILE CG2 C 13 17.347 0.2 . 1 . . . . . . . . 5975 1 590 . 1 1 61 61 ILE HG21 H 1 0.889 0.01 . 1 . . . . . . . . 5975 1 591 . 1 1 61 61 ILE HG22 H 1 0.889 0.01 . 1 . . . . . . . . 5975 1 592 . 1 1 61 61 ILE HG23 H 1 0.889 0.01 . 1 . . . . . . . . 5975 1 593 . 1 1 62 62 ASP N N 15 117.963 0.2 . 1 . . . . . . . . 5975 1 594 . 1 1 62 62 ASP H H 1 8.135 0.01 . 1 . . . . . . . . 5975 1 595 . 1 1 62 62 ASP CA C 13 56.624 0.2 . 1 . . . . . . . . 5975 1 596 . 1 1 62 62 ASP HA H 1 4.320 0.01 . 1 . . . . . . . . 5975 1 597 . 1 1 62 62 ASP CB C 13 40.346 0.2 . 1 . . . . . . . . 5975 1 598 . 1 1 62 62 ASP HB3 H 1 2.787 0.01 . 2 . . . . . . . . 5975 1 599 . 1 1 62 62 ASP HB2 H 1 2.654 0.01 . 2 . . . . . . . . 5975 1 600 . 1 1 63 63 GLU N N 15 116.156 0.2 . 1 . . . . . . . . 5975 1 601 . 1 1 63 63 GLU H H 1 7.573 0.01 . 1 . . . . . . . . 5975 1 602 . 1 1 63 63 GLU CA C 13 58.137 0.2 . 1 . . . . . . . . 5975 1 603 . 1 1 63 63 GLU HA H 1 4.192 0.01 . 1 . . . . . . . . 5975 1 604 . 1 1 63 63 GLU CB C 13 30.867 0.2 . 1 . . . . . . . . 5975 1 605 . 1 1 63 63 GLU HB2 H 1 2.039 0.01 . 2 . . . . . . . . 5975 1 606 . 1 1 63 63 GLU HG3 H 1 2.433 0.01 . 2 . . . . . . . . 5975 1 607 . 1 1 63 63 GLU HG2 H 1 2.270 0.01 . 2 . . . . . . . . 5975 1 608 . 1 1 64 64 VAL N N 15 114.848 0.2 . 1 . . . . . . . . 5975 1 609 . 1 1 64 64 VAL H H 1 8.185 0.01 . 1 . . . . . . . . 5975 1 610 . 1 1 64 64 VAL HA H 1 4.068 0.01 . 1 . . . . . . . . 5975 1 611 . 1 1 64 64 VAL CB C 13 32.771 0.2 . 1 . . . . . . . . 5975 1 612 . 1 1 64 64 VAL HB H 1 2.134 0.01 . 1 . . . . . . . . 5975 1 613 . 1 1 64 64 VAL CG1 C 13 21.785 0.2 . 1 . . . . . . . . 5975 1 614 . 1 1 64 64 VAL HG11 H 1 0.858 0.01 . 2 . . . . . . . . 5975 1 615 . 1 1 64 64 VAL HG12 H 1 0.858 0.01 . 2 . . . . . . . . 5975 1 616 . 1 1 64 64 VAL HG13 H 1 0.858 0.01 . 2 . . . . . . . . 5975 1 617 . 1 1 65 65 ASP N N 15 119.652 0.2 . 1 . . . . . . . . 5975 1 618 . 1 1 65 65 ASP H H 1 8.227 0.01 . 1 . . . . . . . . 5975 1 619 . 1 1 65 65 ASP CA C 13 52.557 0.2 . 1 . . . . . . . . 5975 1 620 . 1 1 65 65 ASP HA H 1 4.971 0.01 . 1 . . . . . . . . 5975 1 621 . 1 1 65 65 ASP HB3 H 1 2.968 0.01 . 2 . . . . . . . . 5975 1 622 . 1 1 65 65 ASP HB2 H 1 2.094 0.01 . 2 . . . . . . . . 5975 1 623 . 1 1 66 66 GLU N N 15 126.457 0.2 . 1 . . . . . . . . 5975 1 624 . 1 1 66 66 GLU H H 1 8.185 0.01 . 1 . . . . . . . . 5975 1 625 . 1 1 66 66 GLU CA C 13 59.229 0.2 . 1 . . . . . . . . 5975 1 626 . 1 1 66 66 GLU HA H 1 4.013 0.01 . 1 . . . . . . . . 5975 1 627 . 1 1 66 66 GLU CB C 13 30.524 0.2 . 1 . . . . . . . . 5975 1 628 . 1 1 66 66 GLU HB2 H 1 2.164 0.01 . 2 . . . . . . . . 5975 1 629 . 1 1 66 66 GLU HG3 H 1 2.420 0.01 . 2 . . . . . . . . 5975 1 630 . 1 1 66 66 GLU HG2 H 1 2.341 0.01 . 2 . . . . . . . . 5975 1 631 . 1 1 67 67 ASP N N 15 113.898 0.2 . 1 . . . . . . . . 5975 1 632 . 1 1 67 67 ASP H H 1 8.000 0.01 . 1 . . . . . . . . 5975 1 633 . 1 1 67 67 ASP HA H 1 4.650 0.01 . 1 . . . . . . . . 5975 1 634 . 1 1 67 67 ASP CB C 13 39.714 0.2 . 1 . . . . . . . . 5975 1 635 . 1 1 67 67 ASP HB3 H 1 3.101 0.01 . 2 . . . . . . . . 5975 1 636 . 1 1 67 67 ASP HB2 H 1 2.753 0.01 . 2 . . . . . . . . 5975 1 637 . 1 1 68 68 GLY N N 15 109.361 0.2 . 1 . . . . . . . . 5975 1 638 . 1 1 68 68 GLY H H 1 7.920 0.01 . 1 . . . . . . . . 5975 1 639 . 1 1 68 68 GLY HA3 H 1 3.851 0.01 . 2 . . . . . . . . 5975 1 640 . 1 1 68 68 GLY HA2 H 1 3.807 0.01 . 2 . . . . . . . . 5975 1 641 . 1 1 69 69 SER N N 15 115.686 0.2 . 1 . . . . . . . . 5975 1 642 . 1 1 69 69 SER H H 1 8.406 0.01 . 1 . . . . . . . . 5975 1 643 . 1 1 69 69 SER CA C 13 60.041 0.2 . 1 . . . . . . . . 5975 1 644 . 1 1 69 69 SER HA H 1 4.207 0.01 . 1 . . . . . . . . 5975 1 645 . 1 1 69 69 SER CB C 13 64.667 0.2 . 1 . . . . . . . . 5975 1 646 . 1 1 69 69 SER HB3 H 1 3.921 0.01 . 2 . . . . . . . . 5975 1 647 . 1 1 70 70 GLY N N 15 116.416 0.2 . 1 . . . . . . . . 5975 1 648 . 1 1 70 70 GLY H H 1 10.804 0.01 . 1 . . . . . . . . 5975 1 649 . 1 1 70 70 GLY CA C 13 45.668 0.2 . 1 . . . . . . . . 5975 1 650 . 1 1 70 70 GLY HA3 H 1 4.229 0.01 . 2 . . . . . . . . 5975 1 651 . 1 1 70 70 GLY HA2 H 1 3.629 0.01 . 2 . . . . . . . . 5975 1 652 . 1 1 71 71 THR N N 15 110.327 0.2 . 1 . . . . . . . . 5975 1 653 . 1 1 71 71 THR H H 1 7.899 0.01 . 1 . . . . . . . . 5975 1 654 . 1 1 71 71 THR CA C 13 58.171 0.2 . 1 . . . . . . . . 5975 1 655 . 1 1 71 71 THR HA H 1 5.039 0.01 . 1 . . . . . . . . 5975 1 656 . 1 1 71 71 THR CB C 13 73.272 0.2 . 1 . . . . . . . . 5975 1 657 . 1 1 71 71 THR HB H 1 3.975 0.01 . 1 . . . . . . . . 5975 1 658 . 1 1 71 71 THR CG2 C 13 22.606 0.2 . 1 . . . . . . . . 5975 1 659 . 1 1 71 71 THR HG21 H 1 1.153 0.01 . 1 . . . . . . . . 5975 1 660 . 1 1 71 71 THR HG22 H 1 1.153 0.01 . 1 . . . . . . . . 5975 1 661 . 1 1 71 71 THR HG23 H 1 1.153 0.01 . 1 . . . . . . . . 5975 1 662 . 1 1 72 72 VAL N N 15 126.942 0.2 . 1 . . . . . . . . 5975 1 663 . 1 1 72 72 VAL H H 1 9.774 0.01 . 1 . . . . . . . . 5975 1 664 . 1 1 72 72 VAL CA C 13 61.075 0.2 . 1 . . . . . . . . 5975 1 665 . 1 1 72 72 VAL HA H 1 5.141 0.01 . 1 . . . . . . . . 5975 1 666 . 1 1 72 72 VAL CB C 13 33.533 0.2 . 1 . . . . . . . . 5975 1 667 . 1 1 72 72 VAL HB H 1 2.170 0.01 . 1 . . . . . . . . 5975 1 668 . 1 1 72 72 VAL CG2 C 13 21.468 0.2 . 1 . . . . . . . . 5975 1 669 . 1 1 72 72 VAL HG21 H 1 1.156 0.01 . 2 . . . . . . . . 5975 1 670 . 1 1 72 72 VAL HG22 H 1 1.156 0.01 . 2 . . . . . . . . 5975 1 671 . 1 1 72 72 VAL HG23 H 1 1.156 0.01 . 2 . . . . . . . . 5975 1 672 . 1 1 72 72 VAL HG11 H 1 0.817 0.01 . 2 . . . . . . . . 5975 1 673 . 1 1 72 72 VAL HG12 H 1 0.817 0.01 . 2 . . . . . . . . 5975 1 674 . 1 1 72 72 VAL HG13 H 1 0.817 0.01 . 2 . . . . . . . . 5975 1 675 . 1 1 73 73 ASP N N 15 127.566 0.2 . 1 . . . . . . . . 5975 1 676 . 1 1 73 73 ASP H H 1 8.538 0.01 . 1 . . . . . . . . 5975 1 677 . 1 1 73 73 ASP CA C 13 52.547 0.2 . 1 . . . . . . . . 5975 1 678 . 1 1 73 73 ASP HA H 1 5.211 0.01 . 1 . . . . . . . . 5975 1 679 . 1 1 73 73 ASP HB3 H 1 3.291 0.01 . 2 . . . . . . . . 5975 1 680 . 1 1 73 73 ASP HB2 H 1 2.780 0.01 . 2 . . . . . . . . 5975 1 681 . 1 1 74 74 PHE N N 15 118.269 0.2 . 1 . . . . . . . . 5975 1 682 . 1 1 74 74 PHE H H 1 8.756 0.01 . 1 . . . . . . . . 5975 1 683 . 1 1 74 74 PHE HA H 1 3.416 0.01 . 1 . . . . . . . . 5975 1 684 . 1 1 74 74 PHE HB3 H 1 2.622 0.01 . 2 . . . . . . . . 5975 1 685 . 1 1 74 74 PHE HB2 H 1 2.515 0.01 . 2 . . . . . . . . 5975 1 686 . 1 1 74 74 PHE HD1 H 1 6.621 0.01 . 3 . . . . . . . . 5975 1 687 . 1 1 74 74 PHE HE1 H 1 7.163 0.01 . 3 . . . . . . . . 5975 1 688 . 1 1 74 74 PHE HZ H 1 7.414 0.01 . 1 . . . . . . . . 5975 1 689 . 1 1 75 75 ASP N N 15 117.565 0.2 . 1 . . . . . . . . 5975 1 690 . 1 1 75 75 ASP H H 1 7.741 0.01 . 1 . . . . . . . . 5975 1 691 . 1 1 75 75 ASP CA C 13 58.038 0.2 . 1 . . . . . . . . 5975 1 692 . 1 1 75 75 ASP HA H 1 4.078 0.01 . 1 . . . . . . . . 5975 1 693 . 1 1 75 75 ASP CB C 13 40.398 0.2 . 1 . . . . . . . . 5975 1 694 . 1 1 75 75 ASP HB3 H 1 2.739 0.01 . 1 . . . . . . . . 5975 1 695 . 1 1 75 75 ASP HB2 H 1 2.586 0.01 . 1 . . . . . . . . 5975 1 696 . 1 1 76 76 GLU N N 15 120.702 0.2 . 1 . . . . . . . . 5975 1 697 . 1 1 76 76 GLU H H 1 8.299 0.01 . 1 . . . . . . . . 5975 1 698 . 1 1 76 76 GLU HA H 1 4.002 0.01 . 1 . . . . . . . . 5975 1 699 . 1 1 76 76 GLU CA C 13 58.263 0.2 . 1 . . . . . . . . 5975 1 700 . 1 1 76 76 GLU HB3 H 1 2.406 0.01 . 2 . . . . . . . . 5975 1 701 . 1 1 76 76 GLU HB2 H 1 1.976 0.01 . 2 . . . . . . . . 5975 1 702 . 1 1 76 76 GLU HG3 H 1 2.913 0.01 . 2 . . . . . . . . 5975 1 703 . 1 1 76 76 GLU HG2 H 1 2.497 0.01 . 2 . . . . . . . . 5975 1 704 . 1 1 77 77 PHE N N 15 121.794 0.2 . 1 . . . . . . . . 5975 1 705 . 1 1 77 77 PHE H H 1 8.894 0.01 . 1 . . . . . . . . 5975 1 706 . 1 1 77 77 PHE CA C 13 61.106 0.2 . 1 . . . . . . . . 5975 1 707 . 1 1 77 77 PHE HA H 1 3.870 0.01 . 1 . . . . . . . . 5975 1 708 . 1 1 77 77 PHE HB3 H 1 3.166 0.01 . 2 . . . . . . . . 5975 1 709 . 1 1 77 77 PHE HB2 H 1 3.067 0.01 . 2 . . . . . . . . 5975 1 710 . 1 1 77 77 PHE HD1 H 1 6.986 0.01 . 3 . . . . . . . . 5975 1 711 . 1 1 77 77 PHE HE1 H 1 7.359 0.01 . 3 . . . . . . . . 5975 1 712 . 1 1 78 78 LEU N N 15 118.619 0.2 . 1 . . . . . . . . 5975 1 713 . 1 1 78 78 LEU H H 1 7.995 0.01 . 1 . . . . . . . . 5975 1 714 . 1 1 78 78 LEU CA C 13 58.008 0.2 . 1 . . . . . . . . 5975 1 715 . 1 1 78 78 LEU HA H 1 3.377 0.01 . 1 . . . . . . . . 5975 1 716 . 1 1 78 78 LEU CB C 13 41.547 0.2 . 1 . . . . . . . . 5975 1 717 . 1 1 78 78 LEU HB3 H 1 1.863 0.01 . 1 . . . . . . . . 5975 1 718 . 1 1 78 78 LEU HB2 H 1 1.065 0.01 . 1 . . . . . . . . 5975 1 719 . 1 1 78 78 LEU CG C 13 25.636 0.2 . 1 . . . . . . . . 5975 1 720 . 1 1 78 78 LEU HG H 1 1.080 0.01 . 1 . . . . . . . . 5975 1 721 . 1 1 78 78 LEU HD11 H 1 0.669 0.01 . 2 . . . . . . . . 5975 1 722 . 1 1 78 78 LEU HD12 H 1 0.669 0.01 . 2 . . . . . . . . 5975 1 723 . 1 1 78 78 LEU HD13 H 1 0.669 0.01 . 2 . . . . . . . . 5975 1 724 . 1 1 78 78 LEU HD21 H 1 0.713 0.01 . 2 . . . . . . . . 5975 1 725 . 1 1 78 78 LEU HD22 H 1 0.713 0.01 . 2 . . . . . . . . 5975 1 726 . 1 1 78 78 LEU HD23 H 1 0.713 0.01 . 2 . . . . . . . . 5975 1 727 . 1 1 79 79 VAL N N 15 117.968 0.2 . 1 . . . . . . . . 5975 1 728 . 1 1 79 79 VAL H H 1 6.998 0.01 . 1 . . . . . . . . 5975 1 729 . 1 1 79 79 VAL CA C 13 66.595 0.2 . 1 . . . . . . . . 5975 1 730 . 1 1 79 79 VAL HA H 1 3.196 0.01 . 1 . . . . . . . . 5975 1 731 . 1 1 79 79 VAL CB C 13 30.868 0.2 . 1 . . . . . . . . 5975 1 732 . 1 1 79 79 VAL HB H 1 2.285 0.01 . 1 . . . . . . . . 5975 1 733 . 1 1 79 79 VAL CG2 C 13 23.601 0.2 . 1 . . . . . . . . 5975 1 734 . 1 1 79 79 VAL HG21 H 1 1.018 0.01 . 2 . . . . . . . . 5975 1 735 . 1 1 79 79 VAL HG22 H 1 1.018 0.01 . 2 . . . . . . . . 5975 1 736 . 1 1 79 79 VAL HG23 H 1 1.018 0.01 . 2 . . . . . . . . 5975 1 737 . 1 1 79 79 VAL CG1 C 13 21.633 0.2 . 1 . . . . . . . . 5975 1 738 . 1 1 79 79 VAL HG11 H 1 0.611 0.01 . 2 . . . . . . . . 5975 1 739 . 1 1 79 79 VAL HG12 H 1 0.611 0.01 . 2 . . . . . . . . 5975 1 740 . 1 1 79 79 VAL HG13 H 1 0.611 0.01 . 2 . . . . . . . . 5975 1 741 . 1 1 80 80 MET N N 15 119.029 0.2 . 1 . . . . . . . . 5975 1 742 . 1 1 80 80 MET H H 1 7.777 0.01 . 1 . . . . . . . . 5975 1 743 . 1 1 80 80 MET CA C 13 59.342 0.2 . 1 . . . . . . . . 5975 1 744 . 1 1 80 80 MET HA H 1 3.518 0.01 . 1 . . . . . . . . 5975 1 745 . 1 1 80 80 MET HB3 H 1 2.115 0.01 . 2 . . . . . . . . 5975 1 746 . 1 1 80 80 MET HB2 H 1 1.842 0.01 . 2 . . . . . . . . 5975 1 747 . 1 1 80 80 MET CG C 13 32.165 0.2 . 1 . . . . . . . . 5975 1 748 . 1 1 80 80 MET HG3 H 1 2.486 0.01 . 2 . . . . . . . . 5975 1 749 . 1 1 80 80 MET HG2 H 1 2.047 0.01 . 2 . . . . . . . . 5975 1 750 . 1 1 80 80 MET HE1 H 1 1.789 0.01 . 1 . . . . . . . . 5975 1 751 . 1 1 80 80 MET HE2 H 1 1.789 0.01 . 1 . . . . . . . . 5975 1 752 . 1 1 80 80 MET HE3 H 1 1.789 0.01 . 1 . . . . . . . . 5975 1 753 . 1 1 81 81 MET N N 15 116.681 0.2 . 1 . . . . . . . . 5975 1 754 . 1 1 81 81 MET H H 1 8.051 0.01 . 1 . . . . . . . . 5975 1 755 . 1 1 81 81 MET CA C 13 56.448 0.2 . 1 . . . . . . . . 5975 1 756 . 1 1 81 81 MET HA H 1 3.930 0.01 . 1 . . . . . . . . 5975 1 757 . 1 1 81 81 MET HB3 H 1 1.457 0.01 . 2 . . . . . . . . 5975 1 758 . 1 1 81 81 MET HB2 H 1 0.919 0.01 . 2 . . . . . . . . 5975 1 759 . 1 1 81 81 MET HG3 H 1 1.267 0.01 . 2 . . . . . . . . 5975 1 760 . 1 1 81 81 MET HG2 H 1 1.042 0.01 . 2 . . . . . . . . 5975 1 761 . 1 1 82 82 VAL N N 15 116.567 0.2 . 1 . . . . . . . . 5975 1 762 . 1 1 82 82 VAL H H 1 7.884 0.01 . 1 . . . . . . . . 5975 1 763 . 1 1 82 82 VAL CA C 13 65.586 0.2 . 1 . . . . . . . . 5975 1 764 . 1 1 82 82 VAL HA H 1 3.910 0.01 . 1 . . . . . . . . 5975 1 765 . 1 1 82 82 VAL HB H 1 2.214 0.01 . 1 . . . . . . . . 5975 1 766 . 1 1 82 82 VAL HG21 H 1 1.113 0.01 . 2 . . . . . . . . 5975 1 767 . 1 1 82 82 VAL HG22 H 1 1.113 0.01 . 2 . . . . . . . . 5975 1 768 . 1 1 82 82 VAL HG23 H 1 1.113 0.01 . 2 . . . . . . . . 5975 1 769 . 1 1 82 82 VAL CG1 C 13 21.906 0.2 . 1 . . . . . . . . 5975 1 770 . 1 1 82 82 VAL HG11 H 1 0.998 0.01 . 2 . . . . . . . . 5975 1 771 . 1 1 82 82 VAL HG12 H 1 0.998 0.01 . 2 . . . . . . . . 5975 1 772 . 1 1 82 82 VAL HG13 H 1 0.998 0.01 . 2 . . . . . . . . 5975 1 773 . 1 1 82 82 VAL CB C 13 31.208 0.2 . 1 . . . . . . . . 5975 1 774 . 1 1 83 83 ARG N N 15 120.827 0.2 . 1 . . . . . . . . 5975 1 775 . 1 1 83 83 ARG H H 1 7.929 0.01 . 1 . . . . . . . . 5975 1 776 . 1 1 83 83 ARG CA C 13 58.951 0.2 . 1 . . . . . . . . 5975 1 777 . 1 1 83 83 ARG HA H 1 3.791 0.01 . 1 . . . . . . . . 5975 1 778 . 1 1 83 83 ARG HB3 H 1 1.688 0.01 . 2 . . . . . . . . 5975 1 779 . 1 1 83 83 ARG CG C 13 27.576 0.2 . 1 . . . . . . . . 5975 1 780 . 1 1 83 83 ARG HG3 H 1 1.430 0.01 . 2 . . . . . . . . 5975 1 781 . 1 1 83 83 ARG HG2 H 1 1.116 0.01 . 2 . . . . . . . . 5975 1 782 . 1 1 83 83 ARG CD C 13 43.278 0.2 . 1 . . . . . . . . 5975 1 783 . 1 1 83 83 ARG HD3 H 1 2.651 0.01 . 2 . . . . . . . . 5975 1 784 . 1 1 84 84 CYS N N 15 115.338 0.2 . 1 . . . . . . . . 5975 1 785 . 1 1 84 84 CYS H H 1 7.754 0.01 . 1 . . . . . . . . 5975 1 786 . 1 1 84 84 CYS CA C 13 61.336 0.2 . 1 . . . . . . . . 5975 1 787 . 1 1 84 84 CYS HA H 1 4.286 0.01 . 1 . . . . . . . . 5975 1 788 . 1 1 84 84 CYS CB C 13 27.738 0.2 . 1 . . . . . . . . 5975 1 789 . 1 1 84 84 CYS HB2 H 1 2.870 0.01 . 2 . . . . . . . . 5975 1 790 . 1 1 85 85 MET N N 15 119.212 0.2 . 1 . . . . . . . . 5975 1 791 . 1 1 85 85 MET H H 1 7.627 0.01 . 1 . . . . . . . . 5975 1 792 . 1 1 85 85 MET CA C 13 57.083 0.2 . 1 . . . . . . . . 5975 1 793 . 1 1 85 85 MET HA H 1 4.329 0.01 . 1 . . . . . . . . 5975 1 794 . 1 1 85 85 MET CB C 13 33.269 0.2 . 1 . . . . . . . . 5975 1 795 . 1 1 85 85 MET HB3 H 1 2.176 0.01 . 2 . . . . . . . . 5975 1 796 . 1 1 85 85 MET HB2 H 1 2.122 0.01 . 2 . . . . . . . . 5975 1 797 . 1 1 85 85 MET CG C 13 32.232 0.2 . 1 . . . . . . . . 5975 1 798 . 1 1 85 85 MET HG3 H 1 2.787 0.01 . 2 . . . . . . . . 5975 1 799 . 1 1 85 85 MET HG2 H 1 2.615 0.01 . 2 . . . . . . . . 5975 1 800 . 1 1 86 86 LYS N N 15 121.344 0.2 . 1 . . . . . . . . 5975 1 801 . 1 1 86 86 LYS H H 1 7.853 0.01 . 1 . . . . . . . . 5975 1 802 . 1 1 86 86 LYS CA C 13 56.156 0.2 . 1 . . . . . . . . 5975 1 803 . 1 1 86 86 LYS HA H 1 4.336 0.01 . 1 . . . . . . . . 5975 1 804 . 1 1 86 86 LYS CB C 13 33.146 0.2 . 1 . . . . . . . . 5975 1 805 . 1 1 86 86 LYS HB3 H 1 1.903 0.01 . 2 . . . . . . . . 5975 1 806 . 1 1 86 86 LYS HB2 H 1 1.861 0.01 . 2 . . . . . . . . 5975 1 807 . 1 1 86 86 LYS CG C 13 24.437 0.2 . 1 . . . . . . . . 5975 1 808 . 1 1 86 86 LYS HG2 H 1 1.476 0.01 . 2 . . . . . . . . 5975 1 809 . 1 1 86 86 LYS HD2 H 1 1.709 0.01 . 2 . . . . . . . . 5975 1 810 . 1 1 86 86 LYS CE C 13 41.867 0.2 . 1 . . . . . . . . 5975 1 811 . 1 1 86 86 LYS HE2 H 1 3.027 0.01 . 2 . . . . . . . . 5975 1 812 . 1 1 87 87 ASP N N 15 122.173 0.2 . 1 . . . . . . . . 5975 1 813 . 1 1 87 87 ASP H H 1 8.314 0.01 . 1 . . . . . . . . 5975 1 814 . 1 1 87 87 ASP HA H 1 4.688 0.01 . 1 . . . . . . . . 5975 1 815 . 1 1 87 87 ASP CB C 13 41.305 0.2 . 1 . . . . . . . . 5975 1 816 . 1 1 87 87 ASP HB3 H 1 2.763 0.01 . 2 . . . . . . . . 5975 1 817 . 1 1 87 87 ASP HB2 H 1 2.665 0.01 . 2 . . . . . . . . 5975 1 818 . 1 1 88 88 ASP N N 15 121.878 0.2 . 1 . . . . . . . . 5975 1 819 . 1 1 88 88 ASP H H 1 8.286 0.01 . 1 . . . . . . . . 5975 1 820 . 1 1 88 88 ASP HA H 1 4.709 0.01 . 1 . . . . . . . . 5975 1 821 . 1 1 88 88 ASP CB C 13 41.182 0.2 . 1 . . . . . . . . 5975 1 822 . 1 1 88 88 ASP HB3 H 1 2.727 0.01 . 2 . . . . . . . . 5975 1 823 . 1 1 88 88 ASP HB2 H 1 2.668 0.01 . 2 . . . . . . . . 5975 1 824 . 1 1 89 89 SER N N 15 121.425 0.2 . 1 . . . . . . . . 5975 1 825 . 1 1 89 89 SER H H 1 7.912 0.01 . 1 . . . . . . . . 5975 1 826 . 1 1 89 89 SER CA C 13 60.287 0.2 . 1 . . . . . . . . 5975 1 827 . 1 1 89 89 SER HA H 1 4.231 0.01 . 1 . . . . . . . . 5975 1 828 . 1 1 89 89 SER CB C 13 64.795 0.2 . 1 . . . . . . . . 5975 1 829 . 1 1 89 89 SER HB2 H 1 3.873 0.01 . 2 . . . . . . . . 5975 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 480 5975 1 1 478 5975 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5975 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_2 . 5975 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CG C 13 30.796 0.2 . 1 . . . . . . . . 5975 2 2 . 1 1 1 1 MET HG3 H 1 2.648 0.01 . 2 . . . . . . . . 5975 2 3 . 1 1 1 1 MET HG2 H 1 2.562 0.01 . 2 . . . . . . . . 5975 2 4 . 1 1 1 1 MET CE C 13 16.740 0.2 . 1 . . . . . . . . 5975 2 5 . 1 1 1 1 MET HE1 H 1 2.096 0.01 . 1 . . . . . . . . 5975 2 6 . 1 1 1 1 MET HE2 H 1 2.096 0.01 . 1 . . . . . . . . 5975 2 7 . 1 1 1 1 MET HE3 H 1 2.096 0.01 . 1 . . . . . . . . 5975 2 8 . 1 1 2 2 ASN HA H 1 4.683 0.01 . 1 . . . . . . . . 5975 2 9 . 1 1 2 2 ASN HB3 H 1 2.988 0.01 . 2 . . . . . . . . 5975 2 10 . 1 1 2 2 ASN HB2 H 1 2.862 0.01 . 2 . . . . . . . . 5975 2 11 . 1 1 2 2 ASN ND2 N 15 113.924 0.2 . 1 . . . . . . . . 5975 2 12 . 1 1 2 2 ASN HD21 H 1 8.040 0.01 . 2 . . . . . . . . 5975 2 13 . 1 1 2 2 ASN HD22 H 1 6.943 0.01 . 2 . . . . . . . . 5975 2 14 . 1 1 3 3 ASP N N 15 122.752 0.2 . 1 . . . . . . . . 5975 2 15 . 1 1 3 3 ASP H H 1 8.800 0.01 . 1 . . . . . . . . 5975 2 16 . 1 1 3 3 ASP HA H 1 4.335 0.01 . 1 . . . . . . . . 5975 2 17 . 1 1 3 3 ASP CB C 13 41.826 0.2 . 1 . . . . . . . . 5975 2 18 . 1 1 3 3 ASP HB3 H 1 2.686 0.01 . 2 . . . . . . . . 5975 2 19 . 1 1 3 3 ASP HB2 H 1 2.615 0.01 . 2 . . . . . . . . 5975 2 20 . 1 1 4 4 ILE N N 15 119.539 0.2 . 1 . . . . . . . . 5975 2 21 . 1 1 4 4 ILE H H 1 8.214 0.01 . 1 . . . . . . . . 5975 2 22 . 1 1 4 4 ILE HA H 1 3.853 0.01 . 1 . . . . . . . . 5975 2 23 . 1 1 4 4 ILE HB H 1 1.583 0.01 . 1 . . . . . . . . 5975 2 24 . 1 1 4 4 ILE CG1 C 13 27.462 0.2 . 2 . . . . . . . . 5975 2 25 . 1 1 4 4 ILE HG13 H 1 1.046 0.01 . 2 . . . . . . . . 5975 2 26 . 1 1 4 4 ILE HG12 H 1 0.965 0.01 . 2 . . . . . . . . 5975 2 27 . 1 1 4 4 ILE CD1 C 13 12.951 0.2 . 1 . . . . . . . . 5975 2 28 . 1 1 4 4 ILE HD11 H 1 0.707 0.01 . 1 . . . . . . . . 5975 2 29 . 1 1 4 4 ILE HD12 H 1 0.707 0.01 . 1 . . . . . . . . 5975 2 30 . 1 1 4 4 ILE HD13 H 1 0.707 0.01 . 1 . . . . . . . . 5975 2 31 . 1 1 4 4 ILE CG2 C 13 16.827 0.2 . 1 . . . . . . . . 5975 2 32 . 1 1 4 4 ILE HG21 H 1 0.579 0.01 . 1 . . . . . . . . 5975 2 33 . 1 1 4 4 ILE HG22 H 1 0.579 0.01 . 1 . . . . . . . . 5975 2 34 . 1 1 4 4 ILE HG23 H 1 0.579 0.01 . 1 . . . . . . . . 5975 2 35 . 1 1 5 5 TYR N N 15 120.436 0.2 . 1 . . . . . . . . 5975 2 36 . 1 1 5 5 TYR H H 1 7.477 0.01 . 1 . . . . . . . . 5975 2 37 . 1 1 5 5 TYR HA H 1 4.563 0.01 . 1 . . . . . . . . 5975 2 38 . 1 1 5 5 TYR HB3 H 1 3.200 0.01 . 2 . . . . . . . . 5975 2 39 . 1 1 5 5 TYR HB2 H 1 2.828 0.01 . 2 . . . . . . . . 5975 2 40 . 1 1 5 5 TYR HD1 H 1 7.061 0.01 . 3 . . . . . . . . 5975 2 41 . 1 1 5 5 TYR HE1 H 1 6.836 0.01 . 3 . . . . . . . . 5975 2 42 . 1 1 6 6 LYS N N 15 120.589 0.2 . 1 . . . . . . . . 5975 2 43 . 1 1 6 6 LYS H H 1 8.024 0.01 . 1 . . . . . . . . 5975 2 44 . 1 1 6 6 LYS HA H 1 3.966 0.01 . 1 . . . . . . . . 5975 2 45 . 1 1 6 6 LYS HB3 H 1 1.873 0.01 . 2 . . . . . . . . 5975 2 46 . 1 1 6 6 LYS HG3 H 1 1.509 0.01 . 2 . . . . . . . . 5975 2 47 . 1 1 6 6 LYS HD3 H 1 1.676 0.01 . 2 . . . . . . . . 5975 2 48 . 1 1 6 6 LYS HE3 H 1 2.994 0.01 . 2 . . . . . . . . 5975 2 49 . 1 1 7 7 ALA N N 15 120.603 0.2 . 1 . . . . . . . . 5975 2 50 . 1 1 7 7 ALA H H 1 8.008 0.01 . 1 . . . . . . . . 5975 2 51 . 1 1 7 7 ALA HA H 1 4.176 0.01 . 1 . . . . . . . . 5975 2 52 . 1 1 7 7 ALA CB C 13 17.583 0.2 . 1 . . . . . . . . 5975 2 53 . 1 1 7 7 ALA HB1 H 1 1.429 0.01 . 1 . . . . . . . . 5975 2 54 . 1 1 7 7 ALA HB2 H 1 1.429 0.01 . 1 . . . . . . . . 5975 2 55 . 1 1 7 7 ALA HB3 H 1 1.429 0.01 . 1 . . . . . . . . 5975 2 56 . 1 1 8 8 ALA N N 15 120.443 0.2 . 1 . . . . . . . . 5975 2 57 . 1 1 8 8 ALA H H 1 7.633 0.01 . 1 . . . . . . . . 5975 2 58 . 1 1 8 8 ALA HA H 1 4.191 0.01 . 1 . . . . . . . . 5975 2 59 . 1 1 8 8 ALA CB C 13 18.232 0.2 . 1 . . . . . . . . 5975 2 60 . 1 1 8 8 ALA HB1 H 1 1.597 0.01 . 1 . . . . . . . . 5975 2 61 . 1 1 8 8 ALA HB2 H 1 1.597 0.01 . 1 . . . . . . . . 5975 2 62 . 1 1 8 8 ALA HB3 H 1 1.597 0.01 . 1 . . . . . . . . 5975 2 63 . 1 1 9 9 VAL N N 15 120.414 0.2 . 1 . . . . . . . . 5975 2 64 . 1 1 9 9 VAL H H 1 8.367 0.01 . 1 . . . . . . . . 5975 2 65 . 1 1 9 9 VAL CA C 13 65.085 0.2 . 1 . . . . . . . . 5975 2 66 . 1 1 9 9 VAL HA H 1 3.543 0.01 . 1 . . . . . . . . 5975 2 67 . 1 1 9 9 VAL CB C 13 31.893 0.2 . 1 . . . . . . . . 5975 2 68 . 1 1 9 9 VAL HB H 1 2.230 0.01 . 1 . . . . . . . . 5975 2 69 . 1 1 9 9 VAL CG2 C 13 21.143 0.2 . 1 . . . . . . . . 5975 2 70 . 1 1 9 9 VAL HG21 H 1 0.994 0.01 . 2 . . . . . . . . 5975 2 71 . 1 1 9 9 VAL HG22 H 1 0.994 0.01 . 2 . . . . . . . . 5975 2 72 . 1 1 9 9 VAL HG23 H 1 0.994 0.01 . 2 . . . . . . . . 5975 2 73 . 1 1 9 9 VAL CG1 C 13 22.025 0.2 . 1 . . . . . . . . 5975 2 74 . 1 1 9 9 VAL HG11 H 1 0.949 0.01 . 2 . . . . . . . . 5975 2 75 . 1 1 9 9 VAL HG12 H 1 0.949 0.01 . 2 . . . . . . . . 5975 2 76 . 1 1 9 9 VAL HG13 H 1 0.949 0.01 . 2 . . . . . . . . 5975 2 77 . 1 1 10 10 GLU N N 15 118.922 0.2 . 1 . . . . . . . . 5975 2 78 . 1 1 10 10 GLU H H 1 7.919 0.01 . 1 . . . . . . . . 5975 2 79 . 1 1 10 10 GLU HA H 1 4.092 0.01 . 1 . . . . . . . . 5975 2 80 . 1 1 10 10 GLU CB C 13 29.418 0.2 . 1 . . . . . . . . 5975 2 81 . 1 1 10 10 GLU HB2 H 1 2.174 0.01 . 2 . . . . . . . . 5975 2 82 . 1 1 10 10 GLU CG C 13 36.583 0.2 . 1 . . . . . . . . 5975 2 83 . 1 1 10 10 GLU HG3 H 1 2.507 0.01 . 2 . . . . . . . . 5975 2 84 . 1 1 10 10 GLU HG2 H 1 2.328 0.01 . 2 . . . . . . . . 5975 2 85 . 1 1 11 11 GLN N N 15 114.608 0.2 . 1 . . . . . . . . 5975 2 86 . 1 1 11 11 GLN H H 1 7.356 0.01 . 1 . . . . . . . . 5975 2 87 . 1 1 11 11 GLN HA H 1 4.292 0.01 . 1 . . . . . . . . 5975 2 88 . 1 1 11 11 GLN HB3 H 1 2.349 0.01 . 2 . . . . . . . . 5975 2 89 . 1 1 11 11 GLN HB2 H 1 2.067 0.01 . 2 . . . . . . . . 5975 2 90 . 1 1 11 11 GLN CG C 13 33.945 0.2 . 1 . . . . . . . . 5975 2 91 . 1 1 11 11 GLN HG2 H 1 2.524 0.01 . 2 . . . . . . . . 5975 2 92 . 1 1 11 11 GLN NE2 N 15 112.952 0.2 . 1 . . . . . . . . 5975 2 93 . 1 1 11 11 GLN HE21 H 1 7.622 0.01 . 2 . . . . . . . . 5975 2 94 . 1 1 11 11 GLN HE22 H 1 6.919 0.01 . 2 . . . . . . . . 5975 2 95 . 1 1 12 12 LEU N N 15 121.245 0.2 . 1 . . . . . . . . 5975 2 96 . 1 1 12 12 LEU H H 1 7.428 0.01 . 1 . . . . . . . . 5975 2 97 . 1 1 12 12 LEU HA H 1 4.492 0.01 . 1 . . . . . . . . 5975 2 98 . 1 1 12 12 LEU HB3 H 1 1.976 0.01 . 2 . . . . . . . . 5975 2 99 . 1 1 12 12 LEU HB2 H 1 1.365 0.01 . 2 . . . . . . . . 5975 2 100 . 1 1 12 12 LEU HG H 1 2.269 0.01 . 1 . . . . . . . . 5975 2 101 . 1 1 12 12 LEU HD11 H 1 1.010 0.01 . 2 . . . . . . . . 5975 2 102 . 1 1 12 12 LEU HD12 H 1 1.010 0.01 . 2 . . . . . . . . 5975 2 103 . 1 1 12 12 LEU HD13 H 1 1.010 0.01 . 2 . . . . . . . . 5975 2 104 . 1 1 12 12 LEU CD2 C 13 23.049 0.2 . 1 . . . . . . . . 5975 2 105 . 1 1 12 12 LEU HD21 H 1 0.932 0.01 . 2 . . . . . . . . 5975 2 106 . 1 1 12 12 LEU HD22 H 1 0.932 0.01 . 2 . . . . . . . . 5975 2 107 . 1 1 12 12 LEU HD23 H 1 0.932 0.01 . 2 . . . . . . . . 5975 2 108 . 1 1 13 13 THR N N 15 114.577 0.2 . 1 . . . . . . . . 5975 2 109 . 1 1 13 13 THR H H 1 9.162 0.01 . 1 . . . . . . . . 5975 2 110 . 1 1 13 13 THR CA C 13 60.567 0.2 . 1 . . . . . . . . 5975 2 111 . 1 1 13 13 THR HA H 1 4.407 0.01 . 1 . . . . . . . . 5975 2 112 . 1 1 13 13 THR HB H 1 4.834 0.01 . 1 . . . . . . . . 5975 2 113 . 1 1 13 13 THR CG2 C 13 21.941 0.2 . 1 . . . . . . . . 5975 2 114 . 1 1 13 13 THR HG21 H 1 1.398 0.01 . 1 . . . . . . . . 5975 2 115 . 1 1 13 13 THR HG22 H 1 1.398 0.01 . 1 . . . . . . . . 5975 2 116 . 1 1 13 13 THR HG23 H 1 1.398 0.01 . 1 . . . . . . . . 5975 2 117 . 1 1 13 13 THR HG1 H 1 5.852 0.01 . 1 . . . . . . . . 5975 2 118 . 1 1 14 14 ASP N N 15 121.857 0.2 . 1 . . . . . . . . 5975 2 119 . 1 1 14 14 ASP H H 1 9.185 0.01 . 1 . . . . . . . . 5975 2 120 . 1 1 14 14 ASP HA H 1 4.324 0.01 . 1 . . . . . . . . 5975 2 121 . 1 1 14 14 ASP CB C 13 39.777 0.2 . 1 . . . . . . . . 5975 2 122 . 1 1 14 14 ASP HB2 H 1 2.630 0.01 . 2 . . . . . . . . 5975 2 123 . 1 1 15 15 GLU N N 15 118.937 0.2 . 1 . . . . . . . . 5975 2 124 . 1 1 15 15 GLU H H 1 8.639 0.01 . 1 . . . . . . . . 5975 2 125 . 1 1 15 15 GLU HA H 1 4.024 0.01 . 1 . . . . . . . . 5975 2 126 . 1 1 15 15 GLU CB C 13 29.086 0.2 . 1 . . . . . . . . 5975 2 127 . 1 1 15 15 GLU HB3 H 1 2.057 0.01 . 2 . . . . . . . . 5975 2 128 . 1 1 15 15 GLU HB2 H 1 1.930 0.01 . 2 . . . . . . . . 5975 2 129 . 1 1 15 15 GLU CG C 13 36.991 0.2 . 1 . . . . . . . . 5975 2 130 . 1 1 15 15 GLU HG3 H 1 2.370 0.01 . 2 . . . . . . . . 5975 2 131 . 1 1 15 15 GLU HG2 H 1 2.293 0.01 . 2 . . . . . . . . 5975 2 132 . 1 1 16 16 GLN N N 15 120.076 0.2 . 1 . . . . . . . . 5975 2 133 . 1 1 16 16 GLN H H 1 7.958 0.01 . 1 . . . . . . . . 5975 2 134 . 1 1 16 16 GLN HA H 1 3.789 0.01 . 1 . . . . . . . . 5975 2 135 . 1 1 16 16 GLN HB3 H 1 1.494 0.01 . 2 . . . . . . . . 5975 2 136 . 1 1 16 16 GLN HG3 H 1 2.327 0.01 . 2 . . . . . . . . 5975 2 137 . 1 1 16 16 GLN HG2 H 1 2.201 0.01 . 2 . . . . . . . . 5975 2 138 . 1 1 16 16 GLN NE2 N 15 112.470 0.2 . 1 . . . . . . . . 5975 2 139 . 1 1 16 16 GLN HE21 H 1 7.711 0.01 . 2 . . . . . . . . 5975 2 140 . 1 1 16 16 GLN HE22 H 1 6.970 0.01 . 2 . . . . . . . . 5975 2 141 . 1 1 17 17 LYS N N 15 118.034 0.2 . 1 . . . . . . . . 5975 2 142 . 1 1 17 17 LYS H H 1 8.488 0.01 . 1 . . . . . . . . 5975 2 143 . 1 1 17 17 LYS HA H 1 3.921 0.01 . 1 . . . . . . . . 5975 2 144 . 1 1 17 17 LYS HB2 H 1 2.036 0.01 . 2 . . . . . . . . 5975 2 145 . 1 1 17 17 LYS HG3 H 1 1.472 0.01 . 2 . . . . . . . . 5975 2 146 . 1 1 17 17 LYS HG2 H 1 1.420 0.01 . 2 . . . . . . . . 5975 2 147 . 1 1 17 17 LYS HD3 H 1 1.795 0.01 . 2 . . . . . . . . 5975 2 148 . 1 1 17 17 LYS HD2 H 1 1.723 0.01 . 2 . . . . . . . . 5975 2 149 . 1 1 17 17 LYS CE C 13 41.791 0.2 . 1 . . . . . . . . 5975 2 150 . 1 1 17 17 LYS HE3 H 1 2.867 0.01 . 2 . . . . . . . . 5975 2 151 . 1 1 18 18 ASN N N 15 117.914 0.2 . 1 . . . . . . . . 5975 2 152 . 1 1 18 18 ASN H H 1 8.572 0.01 . 1 . . . . . . . . 5975 2 153 . 1 1 18 18 ASN CA C 13 55.823 0.2 . 1 . . . . . . . . 5975 2 154 . 1 1 18 18 ASN HA H 1 4.531 0.01 . 1 . . . . . . . . 5975 2 155 . 1 1 18 18 ASN CB C 13 37.622 0.2 . 1 . . . . . . . . 5975 2 156 . 1 1 18 18 ASN HB3 H 1 2.952 0.01 . 2 . . . . . . . . 5975 2 157 . 1 1 18 18 ASN HB2 H 1 2.804 0.01 . 2 . . . . . . . . 5975 2 158 . 1 1 18 18 ASN ND2 N 15 112.479 0.2 . 1 . . . . . . . . 5975 2 159 . 1 1 18 18 ASN HD21 H 1 6.966 0.01 . 2 . . . . . . . . 5975 2 160 . 1 1 18 18 ASN HD22 H 1 7.676 0.01 . 2 . . . . . . . . 5975 2 161 . 1 1 19 19 GLU N N 15 123.475 0.2 . 1 . . . . . . . . 5975 2 162 . 1 1 19 19 GLU H H 1 8.072 0.01 . 1 . . . . . . . . 5975 2 163 . 1 1 19 19 GLU HA H 1 4.163 0.01 . 1 . . . . . . . . 5975 2 164 . 1 1 19 19 GLU CB C 13 29.839 0.2 . 1 . . . . . . . . 5975 2 165 . 1 1 19 19 GLU HB3 H 1 2.079 0.01 . 2 . . . . . . . . 5975 2 166 . 1 1 19 19 GLU HB2 H 1 1.998 0.01 . 2 . . . . . . . . 5975 2 167 . 1 1 19 19 GLU CG C 13 36.258 0.2 . 1 . . . . . . . . 5975 2 168 . 1 1 19 19 GLU HG3 H 1 2.416 0.01 . 2 . . . . . . . . 5975 2 169 . 1 1 19 19 GLU HG2 H 1 2.208 0.01 . 2 . . . . . . . . 5975 2 170 . 1 1 20 20 PHE N N 15 120.071 0.2 . 1 . . . . . . . . 5975 2 171 . 1 1 20 20 PHE H H 1 8.584 0.01 . 1 . . . . . . . . 5975 2 172 . 1 1 20 20 PHE HA H 1 5.095 0.01 . 1 . . . . . . . . 5975 2 173 . 1 1 20 20 PHE HB3 H 1 3.561 0.01 . 2 . . . . . . . . 5975 2 174 . 1 1 20 20 PHE HB2 H 1 3.512 0.01 . 2 . . . . . . . . 5975 2 175 . 1 1 20 20 PHE HD1 H 1 7.211 0.01 . 3 . . . . . . . . 5975 2 176 . 1 1 20 20 PHE HE1 H 1 7.290 0.01 . 3 . . . . . . . . 5975 2 177 . 1 1 21 21 LYS N N 15 122.649 0.2 . 1 . . . . . . . . 5975 2 178 . 1 1 21 21 LYS H H 1 9.039 0.01 . 1 . . . . . . . . 5975 2 179 . 1 1 21 21 LYS HA H 1 3.989 0.01 . 1 . . . . . . . . 5975 2 180 . 1 1 21 21 LYS HB3 H 1 2.013 0.01 . 2 . . . . . . . . 5975 2 181 . 1 1 21 21 LYS HB2 H 1 1.783 0.01 . 2 . . . . . . . . 5975 2 182 . 1 1 21 21 LYS CG C 13 24.327 0.2 . 1 . . . . . . . . 5975 2 183 . 1 1 21 21 LYS HG3 H 1 1.222 0.01 . 2 . . . . . . . . 5975 2 184 . 1 1 21 21 LYS HG2 H 1 1.067 0.01 . 2 . . . . . . . . 5975 2 185 . 1 1 21 21 LYS CD C 13 27.183 0.2 . 1 . . . . . . . . 5975 2 186 . 1 1 21 21 LYS HD3 H 1 1.426 0.01 . 2 . . . . . . . . 5975 2 187 . 1 1 21 21 LYS HD2 H 1 0.710 0.01 . 2 . . . . . . . . 5975 2 188 . 1 1 22 22 ALA N N 15 120.437 0.2 . 1 . . . . . . . . 5975 2 189 . 1 1 22 22 ALA H H 1 7.872 0.01 . 1 . . . . . . . . 5975 2 190 . 1 1 22 22 ALA HA H 1 4.181 0.01 . 1 . . . . . . . . 5975 2 191 . 1 1 22 22 ALA CB C 13 17.513 0.2 . 1 . . . . . . . . 5975 2 192 . 1 1 22 22 ALA HB1 H 1 1.526 0.01 . 1 . . . . . . . . 5975 2 193 . 1 1 22 22 ALA HB2 H 1 1.526 0.01 . 1 . . . . . . . . 5975 2 194 . 1 1 22 22 ALA HB3 H 1 1.526 0.01 . 1 . . . . . . . . 5975 2 195 . 1 1 23 23 ALA N N 15 119.550 0.2 . 1 . . . . . . . . 5975 2 196 . 1 1 23 23 ALA H H 1 7.560 0.01 . 1 . . . . . . . . 5975 2 197 . 1 1 23 23 ALA CA C 13 54.722 0.2 . 1 . . . . . . . . 5975 2 198 . 1 1 23 23 ALA HA H 1 4.157 0.01 . 1 . . . . . . . . 5975 2 199 . 1 1 23 23 ALA HB1 H 1 1.797 0.01 . 1 . . . . . . . . 5975 2 200 . 1 1 23 23 ALA HB2 H 1 1.797 0.01 . 1 . . . . . . . . 5975 2 201 . 1 1 23 23 ALA HB3 H 1 1.797 0.01 . 1 . . . . . . . . 5975 2 202 . 1 1 24 24 PHE N N 15 120.142 0.2 . 1 . . . . . . . . 5975 2 203 . 1 1 24 24 PHE H H 1 8.588 0.01 . 1 . . . . . . . . 5975 2 204 . 1 1 24 24 PHE HA H 1 3.561 0.01 . 1 . . . . . . . . 5975 2 205 . 1 1 24 24 PHE CB C 13 39.200 0.2 . 1 . . . . . . . . 5975 2 206 . 1 1 24 24 PHE HB3 H 1 3.167 0.01 . 2 . . . . . . . . 5975 2 207 . 1 1 24 24 PHE HB2 H 1 2.784 0.01 . 2 . . . . . . . . 5975 2 208 . 1 1 24 24 PHE HD1 H 1 6.561 0.01 . 3 . . . . . . . . 5975 2 209 . 1 1 24 24 PHE HE1 H 1 7.218 0.01 . 3 . . . . . . . . 5975 2 210 . 1 1 24 24 PHE HZ H 1 7.615 0.01 . 1 . . . . . . . . 5975 2 211 . 1 1 25 25 ASP N N 15 115.957 0.2 . 1 . . . . . . . . 5975 2 212 . 1 1 25 25 ASP H H 1 8.664 0.01 . 1 . . . . . . . . 5975 2 213 . 1 1 25 25 ASP HA H 1 4.286 0.01 . 1 . . . . . . . . 5975 2 214 . 1 1 25 25 ASP HB3 H 1 2.697 0.01 . 2 . . . . . . . . 5975 2 215 . 1 1 25 25 ASP HB2 H 1 2.454 0.01 . 2 . . . . . . . . 5975 2 216 . 1 1 26 26 ILE N N 15 119.787 0.2 . 1 . . . . . . . . 5975 2 217 . 1 1 26 26 ILE H H 1 7.214 0.01 . 1 . . . . . . . . 5975 2 218 . 1 1 26 26 ILE CA C 13 62.143 0.2 . 1 . . . . . . . . 5975 2 219 . 1 1 26 26 ILE HA H 1 3.674 0.01 . 1 . . . . . . . . 5975 2 220 . 1 1 26 26 ILE HB H 1 1.756 0.01 . 1 . . . . . . . . 5975 2 221 . 1 1 26 26 ILE HG13 H 1 1.605 0.01 . 2 . . . . . . . . 5975 2 222 . 1 1 26 26 ILE HG12 H 1 1.111 0.01 . 2 . . . . . . . . 5975 2 223 . 1 1 26 26 ILE CD1 C 13 12.716 0.2 . 1 . . . . . . . . 5975 2 224 . 1 1 26 26 ILE HD11 H 1 0.779 0.01 . 1 . . . . . . . . 5975 2 225 . 1 1 26 26 ILE HD12 H 1 0.779 0.01 . 1 . . . . . . . . 5975 2 226 . 1 1 26 26 ILE HD13 H 1 0.779 0.01 . 1 . . . . . . . . 5975 2 227 . 1 1 26 26 ILE HG21 H 1 0.502 0.01 . 1 . . . . . . . . 5975 2 228 . 1 1 26 26 ILE HG22 H 1 0.502 0.01 . 1 . . . . . . . . 5975 2 229 . 1 1 26 26 ILE HG23 H 1 0.502 0.01 . 1 . . . . . . . . 5975 2 230 . 1 1 27 27 PHE N N 15 118.904 0.2 . 1 . . . . . . . . 5975 2 231 . 1 1 27 27 PHE H H 1 7.652 0.01 . 1 . . . . . . . . 5975 2 232 . 1 1 27 27 PHE HA H 1 4.471 0.01 . 1 . . . . . . . . 5975 2 233 . 1 1 27 27 PHE HB3 H 1 3.076 0.01 . 2 . . . . . . . . 5975 2 234 . 1 1 27 27 PHE HB2 H 1 2.704 0.01 . 2 . . . . . . . . 5975 2 235 . 1 1 27 27 PHE HD1 H 1 7.260 0.01 . 3 . . . . . . . . 5975 2 236 . 1 1 27 27 PHE HE1 H 1 7.427 0.01 . 3 . . . . . . . . 5975 2 237 . 1 1 28 28 ILE N N 15 113.175 0.2 . 1 . . . . . . . . 5975 2 238 . 1 1 28 28 ILE H H 1 7.593 0.01 . 1 . . . . . . . . 5975 2 239 . 1 1 28 28 ILE HA H 1 4.046 0.01 . 1 . . . . . . . . 5975 2 240 . 1 1 28 28 ILE HB H 1 1.791 0.01 . 1 . . . . . . . . 5975 2 241 . 1 1 28 28 ILE HG13 H 1 1.044 0.01 . 1 . . . . . . . . 5975 2 242 . 1 1 28 28 ILE HG12 H 1 0.612 0.01 . 1 . . . . . . . . 5975 2 243 . 1 1 28 28 ILE HD11 H 1 0.153 0.01 . 1 . . . . . . . . 5975 2 244 . 1 1 28 28 ILE HD12 H 1 0.153 0.01 . 1 . . . . . . . . 5975 2 245 . 1 1 28 28 ILE HD13 H 1 0.153 0.01 . 1 . . . . . . . . 5975 2 246 . 1 1 28 28 ILE CG2 C 13 17.657 0.2 . 1 . . . . . . . . 5975 2 247 . 1 1 28 28 ILE HG21 H 1 0.731 0.01 . 1 . . . . . . . . 5975 2 248 . 1 1 28 28 ILE HG22 H 1 0.731 0.01 . 1 . . . . . . . . 5975 2 249 . 1 1 28 28 ILE HG23 H 1 0.731 0.01 . 1 . . . . . . . . 5975 2 250 . 1 1 29 29 GLN N N 15 122.721 0.2 . 1 . . . . . . . . 5975 2 251 . 1 1 29 29 GLN H H 1 7.663 0.01 . 1 . . . . . . . . 5975 2 252 . 1 1 29 29 GLN HA H 1 4.023 0.01 . 1 . . . . . . . . 5975 2 253 . 1 1 29 29 GLN HG2 H 1 2.429 0.01 . 2 . . . . . . . . 5975 2 254 . 1 1 29 29 GLN HB2 H 1 2.110 0.01 . 2 . . . . . . . . 5975 2 255 . 1 1 29 29 GLN NE2 N 15 112.689 0.2 . 1 . . . . . . . . 5975 2 256 . 1 1 29 29 GLN HE21 H 1 6.919 0.01 . 2 . . . . . . . . 5975 2 257 . 1 1 29 29 GLN HE22 H 1 7.676 0.01 . 2 . . . . . . . . 5975 2 258 . 1 1 30 30 ASP N N 15 117.326 0.2 . 1 . . . . . . . . 5975 2 259 . 1 1 30 30 ASP H H 1 8.339 0.01 . 1 . . . . . . . . 5975 2 260 . 1 1 30 30 ASP HA H 1 4.734 0.01 . 1 . . . . . . . . 5975 2 261 . 1 1 30 30 ASP HB3 H 1 2.846 0.01 . 2 . . . . . . . . 5975 2 262 . 1 1 30 30 ASP HB2 H 1 2.594 0.01 . 2 . . . . . . . . 5975 2 263 . 1 1 31 31 ALA N N 15 124.085 0.2 . 1 . . . . . . . . 5975 2 264 . 1 1 31 31 ALA H H 1 7.807 0.01 . 1 . . . . . . . . 5975 2 265 . 1 1 31 31 ALA HA H 1 4.434 0.01 . 1 . . . . . . . . 5975 2 266 . 1 1 31 31 ALA CB C 13 19.885 0.2 . 1 . . . . . . . . 5975 2 267 . 1 1 31 31 ALA HB1 H 1 1.541 0.01 . 1 . . . . . . . . 5975 2 268 . 1 1 31 31 ALA HB2 H 1 1.541 0.01 . 1 . . . . . . . . 5975 2 269 . 1 1 31 31 ALA HB3 H 1 1.541 0.01 . 1 . . . . . . . . 5975 2 270 . 1 1 32 32 GLU N N 15 123.207 0.2 . 1 . . . . . . . . 5975 2 271 . 1 1 32 32 GLU H H 1 9.045 0.01 . 1 . . . . . . . . 5975 2 272 . 1 1 32 32 GLU HA H 1 4.188 0.01 . 1 . . . . . . . . 5975 2 273 . 1 1 32 32 GLU HB3 H 1 2.075 0.01 . 2 . . . . . . . . 5975 2 274 . 1 1 32 32 GLU CG C 13 36.335 0.2 . 1 . . . . . . . . 5975 2 275 . 1 1 32 32 GLU HG3 H 1 2.329 0.01 . 2 . . . . . . . . 5975 2 276 . 1 1 33 33 ASP N N 15 116.690 0.2 . 1 . . . . . . . . 5975 2 277 . 1 1 33 33 ASP H H 1 8.315 0.01 . 1 . . . . . . . . 5975 2 278 . 1 1 33 33 ASP HA H 1 4.656 0.01 . 1 . . . . . . . . 5975 2 279 . 1 1 33 33 ASP HB3 H 1 2.945 0.01 . 2 . . . . . . . . 5975 2 280 . 1 1 33 33 ASP HB2 H 1 2.685 0.01 . 2 . . . . . . . . 5975 2 281 . 1 1 34 34 GLY N N 15 106.658 0.2 . 1 . . . . . . . . 5975 2 282 . 1 1 34 34 GLY H H 1 8.029 0.01 . 1 . . . . . . . . 5975 2 283 . 1 1 34 34 GLY HA3 H 1 4.023 0.01 . 2 . . . . . . . . 5975 2 284 . 1 1 34 34 GLY HA2 H 1 3.887 0.01 . 2 . . . . . . . . 5975 2 285 . 1 1 35 35 CYS N N 15 113.908 0.2 . 1 . . . . . . . . 5975 2 286 . 1 1 35 35 CYS H H 1 7.509 0.01 . 1 . . . . . . . . 5975 2 287 . 1 1 35 35 CYS HA H 1 5.075 0.01 . 1 . . . . . . . . 5975 2 288 . 1 1 35 35 CYS CB C 13 31.412 0.2 . 1 . . . . . . . . 5975 2 289 . 1 1 35 35 CYS HB3 H 1 2.765 0.01 . 2 . . . . . . . . 5975 2 290 . 1 1 35 35 CYS HB2 H 1 2.607 0.01 . 2 . . . . . . . . 5975 2 291 . 1 1 36 36 ILE N N 15 118.979 0.2 . 1 . . . . . . . . 5975 2 292 . 1 1 36 36 ILE H H 1 8.535 0.01 . 1 . . . . . . . . 5975 2 293 . 1 1 36 36 ILE HA H 1 4.168 0.01 . 1 . . . . . . . . 5975 2 294 . 1 1 36 36 ILE HB H 1 1.637 0.01 . 1 . . . . . . . . 5975 2 295 . 1 1 36 36 ILE HG13 H 1 1.354 0.01 . 1 . . . . . . . . 5975 2 296 . 1 1 36 36 ILE CD1 C 13 15.256 0.2 . 1 . . . . . . . . 5975 2 297 . 1 1 36 36 ILE HD11 H 1 0.631 0.01 . 1 . . . . . . . . 5975 2 298 . 1 1 36 36 ILE HD12 H 1 0.631 0.01 . 1 . . . . . . . . 5975 2 299 . 1 1 36 36 ILE HD13 H 1 0.631 0.01 . 1 . . . . . . . . 5975 2 300 . 1 1 36 36 ILE CG2 C 13 17.356 0.2 . 1 . . . . . . . . 5975 2 301 . 1 1 36 36 ILE HG21 H 1 0.804 0.01 . 1 . . . . . . . . 5975 2 302 . 1 1 36 36 ILE HG22 H 1 0.804 0.01 . 1 . . . . . . . . 5975 2 303 . 1 1 36 36 ILE HG23 H 1 0.804 0.01 . 1 . . . . . . . . 5975 2 304 . 1 1 37 37 SER N N 15 122.395 0.2 . 1 . . . . . . . . 5975 2 305 . 1 1 37 37 SER H H 1 9.219 0.01 . 1 . . . . . . . . 5975 2 306 . 1 1 37 37 SER HA H 1 4.637 0.01 . 1 . . . . . . . . 5975 2 307 . 1 1 37 37 SER HB3 H 1 4.204 0.01 . 2 . . . . . . . . 5975 2 308 . 1 1 37 37 SER HB2 H 1 3.808 0.01 . 2 . . . . . . . . 5975 2 309 . 1 1 38 38 THR N N 15 117.841 0.2 . 1 . . . . . . . . 5975 2 310 . 1 1 38 38 THR H H 1 8.573 0.01 . 1 . . . . . . . . 5975 2 311 . 1 1 38 38 THR HA H 1 3.784 0.01 . 1 . . . . . . . . 5975 2 312 . 1 1 38 38 THR HB H 1 4.270 0.01 . 1 . . . . . . . . 5975 2 313 . 1 1 38 38 THR HG21 H 1 1.065 0.01 . 1 . . . . . . . . 5975 2 314 . 1 1 38 38 THR HG22 H 1 1.065 0.01 . 1 . . . . . . . . 5975 2 315 . 1 1 38 38 THR HG23 H 1 1.065 0.01 . 1 . . . . . . . . 5975 2 316 . 1 1 39 39 LYS N N 15 120.151 0.2 . 1 . . . . . . . . 5975 2 317 . 1 1 39 39 LYS H H 1 8.103 0.01 . 1 . . . . . . . . 5975 2 318 . 1 1 39 39 LYS HA H 1 4.169 0.01 . 1 . . . . . . . . 5975 2 319 . 1 1 39 39 LYS CB C 13 32.228 0.2 . 1 . . . . . . . . 5975 2 320 . 1 1 39 39 LYS HB3 H 1 1.863 0.01 . 2 . . . . . . . . 5975 2 321 . 1 1 39 39 LYS CG C 13 25.056 0.2 . 1 . . . . . . . . 5975 2 322 . 1 1 39 39 LYS HG3 H 1 1.510 0.01 . 2 . . . . . . . . 5975 2 323 . 1 1 39 39 LYS HG2 H 1 1.435 0.01 . 2 . . . . . . . . 5975 2 324 . 1 1 39 39 LYS CD C 13 29.409 0.2 . 1 . . . . . . . . 5975 2 325 . 1 1 39 39 LYS HD3 H 1 1.704 0.01 . 2 . . . . . . . . 5975 2 326 . 1 1 40 40 GLU N N 15 116.664 0.2 . 1 . . . . . . . . 5975 2 327 . 1 1 40 40 GLU H H 1 7.678 0.01 . 1 . . . . . . . . 5975 2 328 . 1 1 40 40 GLU HA H 1 4.557 0.01 . 1 . . . . . . . . 5975 2 329 . 1 1 40 40 GLU HB3 H 1 2.236 0.01 . 2 . . . . . . . . 5975 2 330 . 1 1 40 40 GLU HB2 H 1 1.907 0.01 . 2 . . . . . . . . 5975 2 331 . 1 1 40 40 GLU HG2 H 1 2.382 0.01 . 2 . . . . . . . . 5975 2 332 . 1 1 41 41 LEU N N 15 119.457 0.2 . 1 . . . . . . . . 5975 2 333 . 1 1 41 41 LEU H H 1 7.495 0.01 . 1 . . . . . . . . 5975 2 334 . 1 1 41 41 LEU HA H 1 3.832 0.01 . 1 . . . . . . . . 5975 2 335 . 1 1 41 41 LEU HB3 H 1 1.604 0.01 . 2 . . . . . . . . 5975 2 336 . 1 1 41 41 LEU HB2 H 1 1.520 0.01 . 2 . . . . . . . . 5975 2 337 . 1 1 41 41 LEU HG H 1 1.692 0.01 . 1 . . . . . . . . 5975 2 338 . 1 1 41 41 LEU CD1 C 13 23.160 0.2 . 1 . . . . . . . . 5975 2 339 . 1 1 41 41 LEU HD11 H 1 0.819 0.01 . 2 . . . . . . . . 5975 2 340 . 1 1 41 41 LEU HD12 H 1 0.819 0.01 . 2 . . . . . . . . 5975 2 341 . 1 1 41 41 LEU HD13 H 1 0.819 0.01 . 2 . . . . . . . . 5975 2 342 . 1 1 41 41 LEU CD2 C 13 24.600 0.2 . 1 . . . . . . . . 5975 2 343 . 1 1 41 41 LEU HD21 H 1 0.868 0.01 . 2 . . . . . . . . 5975 2 344 . 1 1 41 41 LEU HD22 H 1 0.868 0.01 . 2 . . . . . . . . 5975 2 345 . 1 1 41 41 LEU HD23 H 1 0.868 0.01 . 2 . . . . . . . . 5975 2 346 . 1 1 42 42 GLY N N 15 108.112 0.2 . 1 . . . . . . . . 5975 2 347 . 1 1 42 42 GLY H H 1 8.830 0.01 . 1 . . . . . . . . 5975 2 348 . 1 1 42 42 GLY HA3 H 1 3.848 0.01 . 2 . . . . . . . . 5975 2 349 . 1 1 42 42 GLY HA2 H 1 3.528 0.01 . 2 . . . . . . . . 5975 2 350 . 1 1 43 43 LYS N N 15 122.106 0.2 . 1 . . . . . . . . 5975 2 351 . 1 1 43 43 LYS H H 1 7.532 0.01 . 1 . . . . . . . . 5975 2 352 . 1 1 43 43 LYS HA H 1 3.990 0.01 . 1 . . . . . . . . 5975 2 353 . 1 1 43 43 LYS CB C 13 32.254 0.2 . 1 . . . . . . . . 5975 2 354 . 1 1 43 43 LYS HB2 H 1 1.943 0.01 . 2 . . . . . . . . 5975 2 355 . 1 1 43 43 LYS CG C 13 25.167 0.2 . 1 . . . . . . . . 5975 2 356 . 1 1 43 43 LYS HG3 H 1 1.572 0.01 . 2 . . . . . . . . 5975 2 357 . 1 1 43 43 LYS HG2 H 1 1.398 0.01 . 2 . . . . . . . . 5975 2 358 . 1 1 43 43 LYS CD C 13 29.631 0.2 . 1 . . . . . . . . 5975 2 359 . 1 1 43 43 LYS HD2 H 1 1.803 0.01 . 2 . . . . . . . . 5975 2 360 . 1 1 44 44 VAL N N 15 120.446 0.2 . 1 . . . . . . . . 5975 2 361 . 1 1 44 44 VAL H H 1 7.536 0.01 . 1 . . . . . . . . 5975 2 362 . 1 1 44 44 VAL HA H 1 3.385 0.01 . 1 . . . . . . . . 5975 2 363 . 1 1 44 44 VAL HB H 1 1.946 0.01 . 1 . . . . . . . . 5975 2 364 . 1 1 44 44 VAL HG21 H 1 0.529 0.01 . 2 . . . . . . . . 5975 2 365 . 1 1 44 44 VAL HG22 H 1 0.529 0.01 . 2 . . . . . . . . 5975 2 366 . 1 1 44 44 VAL HG23 H 1 0.529 0.01 . 2 . . . . . . . . 5975 2 367 . 1 1 44 44 VAL CG1 C 13 20.984 0.2 . 1 . . . . . . . . 5975 2 368 . 1 1 44 44 VAL HG11 H 1 0.540 0.01 . 2 . . . . . . . . 5975 2 369 . 1 1 44 44 VAL HG12 H 1 0.540 0.01 . 2 . . . . . . . . 5975 2 370 . 1 1 44 44 VAL HG13 H 1 0.540 0.01 . 2 . . . . . . . . 5975 2 371 . 1 1 45 45 MET N N 15 116.257 0.2 . 1 . . . . . . . . 5975 2 372 . 1 1 45 45 MET H H 1 8.337 0.01 . 1 . . . . . . . . 5975 2 373 . 1 1 45 45 MET HA H 1 3.999 0.01 . 1 . . . . . . . . 5975 2 374 . 1 1 45 45 MET HB3 H 1 2.103 0.01 . 2 . . . . . . . . 5975 2 375 . 1 1 45 45 MET HB2 H 1 1.749 0.01 . 2 . . . . . . . . 5975 2 376 . 1 1 45 45 MET HG3 H 1 2.555 0.01 . 2 . . . . . . . . 5975 2 377 . 1 1 45 45 MET HG2 H 1 2.371 0.01 . 2 . . . . . . . . 5975 2 378 . 1 1 45 45 MET CE C 13 18.141 0.2 . 1 . . . . . . . . 5975 2 379 . 1 1 45 45 MET HE1 H 1 1.864 0.01 . 1 . . . . . . . . 5975 2 380 . 1 1 45 45 MET HE2 H 1 1.864 0.01 . 1 . . . . . . . . 5975 2 381 . 1 1 45 45 MET HE3 H 1 1.864 0.01 . 1 . . . . . . . . 5975 2 382 . 1 1 46 46 ARG N N 15 118.999 0.2 . 1 . . . . . . . . 5975 2 383 . 1 1 46 46 ARG H H 1 8.019 0.01 . 1 . . . . . . . . 5975 2 384 . 1 1 46 46 ARG HA H 1 4.611 0.01 . 1 . . . . . . . . 5975 2 385 . 1 1 46 46 ARG HB2 H 1 1.924 0.01 . 2 . . . . . . . . 5975 2 386 . 1 1 46 46 ARG CG C 13 29.387 0.2 . 1 . . . . . . . . 5975 2 387 . 1 1 46 46 ARG HG2 H 1 1.782 0.01 . 2 . . . . . . . . 5975 2 388 . 1 1 46 46 ARG CD C 13 43.250 0.2 . 1 . . . . . . . . 5975 2 389 . 1 1 46 46 ARG HD3 H 1 3.293 0.01 . 2 . . . . . . . . 5975 2 390 . 1 1 46 46 ARG HD2 H 1 3.195 0.01 . 2 . . . . . . . . 5975 2 391 . 1 1 47 47 MET N N 15 122.372 0.2 . 1 . . . . . . . . 5975 2 392 . 1 1 47 47 MET H H 1 8.117 0.01 . 1 . . . . . . . . 5975 2 393 . 1 1 47 47 MET HA H 1 4.312 0.01 . 1 . . . . . . . . 5975 2 394 . 1 1 47 47 MET HB3 H 1 2.515 0.01 . 2 . . . . . . . . 5975 2 395 . 1 1 47 47 MET HB2 H 1 2.523 0.01 . 2 . . . . . . . . 5975 2 396 . 1 1 47 47 MET CG C 13 32.645 0.2 . 1 . . . . . . . . 5975 2 397 . 1 1 47 47 MET HG3 H 1 2.942 0.01 . 2 . . . . . . . . 5975 2 398 . 1 1 47 47 MET HG2 H 1 2.755 0.01 . 2 . . . . . . . . 5975 2 399 . 1 1 47 47 MET CE C 13 17.179 0.2 . 1 . . . . . . . . 5975 2 400 . 1 1 47 47 MET HE1 H 1 2.228 0.01 . 1 . . . . . . . . 5975 2 401 . 1 1 47 47 MET HE2 H 1 2.228 0.01 . 1 . . . . . . . . 5975 2 402 . 1 1 47 47 MET HE3 H 1 2.228 0.01 . 1 . . . . . . . . 5975 2 403 . 1 1 48 48 LEU N N 15 118.391 0.2 . 1 . . . . . . . . 5975 2 404 . 1 1 48 48 LEU H H 1 7.658 0.01 . 1 . . . . . . . . 5975 2 405 . 1 1 48 48 LEU HA H 1 4.539 0.01 . 1 . . . . . . . . 5975 2 406 . 1 1 48 48 LEU HB3 H 1 1.978 0.01 . 2 . . . . . . . . 5975 2 407 . 1 1 48 48 LEU HB2 H 1 1.865 0.01 . 2 . . . . . . . . 5975 2 408 . 1 1 48 48 LEU HG H 1 1.964 0.01 . 1 . . . . . . . . 5975 2 409 . 1 1 48 48 LEU CD1 C 13 26.729 0.2 . 1 . . . . . . . . 5975 2 410 . 1 1 48 48 LEU HD11 H 1 0.921 0.01 . 2 . . . . . . . . 5975 2 411 . 1 1 48 48 LEU HD12 H 1 0.921 0.01 . 2 . . . . . . . . 5975 2 412 . 1 1 48 48 LEU HD13 H 1 0.921 0.01 . 2 . . . . . . . . 5975 2 413 . 1 1 48 48 LEU HD21 H 1 1.140 0.01 . 2 . . . . . . . . 5975 2 414 . 1 1 48 48 LEU HD22 H 1 1.140 0.01 . 2 . . . . . . . . 5975 2 415 . 1 1 48 48 LEU HD23 H 1 1.140 0.01 . 2 . . . . . . . . 5975 2 416 . 1 1 49 49 GLY N N 15 107.654 0.2 . 1 . . . . . . . . 5975 2 417 . 1 1 49 49 GLY H H 1 7.940 0.01 . 1 . . . . . . . . 5975 2 418 . 1 1 49 49 GLY HA3 H 1 4.260 0.01 . 2 . . . . . . . . 5975 2 419 . 1 1 49 49 GLY HA2 H 1 3.840 0.01 . 2 . . . . . . . . 5975 2 420 . 1 1 50 50 GLN N N 15 118.885 0.2 . 1 . . . . . . . . 5975 2 421 . 1 1 50 50 GLN H H 1 8.194 0.01 . 1 . . . . . . . . 5975 2 422 . 1 1 50 50 GLN HA H 1 4.479 0.01 . 1 . . . . . . . . 5975 2 423 . 1 1 50 50 GLN HB2 H 1 1.638 0.01 . 2 . . . . . . . . 5975 2 424 . 1 1 50 50 GLN HG2 H 1 2.191 0.01 . 2 . . . . . . . . 5975 2 425 . 1 1 50 50 GLN NE2 N 15 112.682 0.2 . 1 . . . . . . . . 5975 2 426 . 1 1 50 50 GLN HE21 H 1 6.910 0.01 . 2 . . . . . . . . 5975 2 427 . 1 1 50 50 GLN HE22 H 1 7.484 0.01 . 2 . . . . . . . . 5975 2 428 . 1 1 51 51 ASN N N 15 117.167 0.2 . 1 . . . . . . . . 5975 2 429 . 1 1 51 51 ASN H H 1 8.850 0.01 . 1 . . . . . . . . 5975 2 430 . 1 1 51 51 ASN HA H 1 5.141 0.01 . 1 . . . . . . . . 5975 2 431 . 1 1 51 51 ASN CB C 13 39.278 0.2 . 1 . . . . . . . . 5975 2 432 . 1 1 51 51 ASN HB3 H 1 2.748 0.01 . 2 . . . . . . . . 5975 2 433 . 1 1 51 51 ASN HB2 H 1 2.523 0.01 . 2 . . . . . . . . 5975 2 434 . 1 1 51 51 ASN ND2 N 15 112.953 0.2 . 1 . . . . . . . . 5975 2 435 . 1 1 51 51 ASN HD21 H 1 7.666 0.01 . 2 . . . . . . . . 5975 2 436 . 1 1 51 51 ASN HD22 H 1 6.819 0.01 . 2 . . . . . . . . 5975 2 437 . 1 1 52 52 PRO HA H 1 4.773 0.01 . 1 . . . . . . . . 5975 2 438 . 1 1 52 52 PRO HB3 H 1 2.318 0.01 . 2 . . . . . . . . 5975 2 439 . 1 1 52 52 PRO HB2 H 1 2.204 0.01 . 2 . . . . . . . . 5975 2 440 . 1 1 52 52 PRO HG3 H 1 2.026 0.01 . 2 . . . . . . . . 5975 2 441 . 1 1 52 52 PRO HG2 H 1 1.856 0.01 . 2 . . . . . . . . 5975 2 442 . 1 1 52 52 PRO CD C 13 51.530 0.2 . 1 . . . . . . . . 5975 2 443 . 1 1 52 52 PRO HD3 H 1 3.634 0.01 . 2 . . . . . . . . 5975 2 444 . 1 1 52 52 PRO HD2 H 1 3.296 0.01 . 2 . . . . . . . . 5975 2 445 . 1 1 53 53 THR N N 15 114.905 0.2 . 1 . . . . . . . . 5975 2 446 . 1 1 53 53 THR H H 1 8.916 0.01 . 1 . . . . . . . . 5975 2 447 . 1 1 53 53 THR HA H 1 4.630 0.01 . 1 . . . . . . . . 5975 2 448 . 1 1 53 53 THR HB H 1 4.825 0.01 . 1 . . . . . . . . 5975 2 449 . 1 1 53 53 THR CG2 C 13 21.745 0.2 . 1 . . . . . . . . 5975 2 450 . 1 1 53 53 THR HG21 H 1 1.390 0.01 . 1 . . . . . . . . 5975 2 451 . 1 1 53 53 THR HG22 H 1 1.390 0.01 . 1 . . . . . . . . 5975 2 452 . 1 1 53 53 THR HG23 H 1 1.390 0.01 . 1 . . . . . . . . 5975 2 453 . 1 1 53 53 THR HG1 H 1 5.843 0.01 . 1 . . . . . . . . 5975 2 454 . 1 1 54 54 PRO HA H 1 4.172 0.01 . 1 . . . . . . . . 5975 2 455 . 1 1 54 54 PRO HB3 H 1 2.388 0.01 . 2 . . . . . . . . 5975 2 456 . 1 1 54 54 PRO HG3 H 1 2.116 0.01 . 2 . . . . . . . . 5975 2 457 . 1 1 54 54 PRO HD3 H 1 3.955 0.01 . 2 . . . . . . . . 5975 2 458 . 1 1 54 54 PRO HD2 H 1 3.911 0.01 . 2 . . . . . . . . 5975 2 459 . 1 1 55 55 GLU N N 15 117.848 0.2 . 1 . . . . . . . . 5975 2 460 . 1 1 55 55 GLU H H 1 8.906 0.01 . 1 . . . . . . . . 5975 2 461 . 1 1 55 55 GLU HA H 1 4.025 0.01 . 1 . . . . . . . . 5975 2 462 . 1 1 55 55 GLU HB3 H 1 2.063 0.01 . 2 . . . . . . . . 5975 2 463 . 1 1 55 55 GLU HB2 H 1 1.927 0.01 . 2 . . . . . . . . 5975 2 464 . 1 1 55 55 GLU CG C 13 37.324 0.2 . 1 . . . . . . . . 5975 2 465 . 1 1 55 55 GLU HG3 H 1 2.486 0.01 . 2 . . . . . . . . 5975 2 466 . 1 1 55 55 GLU HG2 H 1 2.247 0.01 . 2 . . . . . . . . 5975 2 467 . 1 1 56 56 GLU N N 15 121.875 0.2 . 1 . . . . . . . . 5975 2 468 . 1 1 56 56 GLU H H 1 7.871 0.01 . 1 . . . . . . . . 5975 2 469 . 1 1 56 56 GLU HA H 1 4.006 0.01 . 1 . . . . . . . . 5975 2 470 . 1 1 56 56 GLU HB3 H 1 2.326 0.01 . 2 . . . . . . . . 5975 2 471 . 1 1 56 56 GLU HB2 H 1 1.861 0.01 . 2 . . . . . . . . 5975 2 472 . 1 1 56 56 GLU HG3 H 1 2.463 0.01 . 2 . . . . . . . . 5975 2 473 . 1 1 57 57 LEU N N 15 121.585 0.2 . 1 . . . . . . . . 5975 2 474 . 1 1 57 57 LEU H H 1 8.704 0.01 . 1 . . . . . . . . 5975 2 475 . 1 1 57 57 LEU HA H 1 4.002 0.01 . 1 . . . . . . . . 5975 2 476 . 1 1 57 57 LEU HB3 H 1 1.833 0.01 . 2 . . . . . . . . 5975 2 477 . 1 1 57 57 LEU HB2 H 1 1.442 0.01 . 2 . . . . . . . . 5975 2 478 . 1 1 57 57 LEU CG C 13 26.913 0.2 . 1 . . . . . . . . 5975 2 479 . 1 1 57 57 LEU HG H 1 1.560 0.01 . 1 . . . . . . . . 5975 2 480 . 1 1 57 57 LEU CD1 C 13 25.268 0.2 . 1 . . . . . . . . 5975 2 481 . 1 1 57 57 LEU HD11 H 1 0.816 0.01 . 2 . . . . . . . . 5975 2 482 . 1 1 57 57 LEU HD12 H 1 0.816 0.01 . 2 . . . . . . . . 5975 2 483 . 1 1 57 57 LEU HD13 H 1 0.816 0.01 . 2 . . . . . . . . 5975 2 484 . 1 1 58 58 GLN N N 15 117.809 0.2 . 1 . . . . . . . . 5975 2 485 . 1 1 58 58 GLN H H 1 7.909 0.01 . 1 . . . . . . . . 5975 2 486 . 1 1 58 58 GLN HA H 1 3.822 0.01 . 1 . . . . . . . . 5975 2 487 . 1 1 58 58 GLN CB C 13 28.653 0.2 . 1 . . . . . . . . 5975 2 488 . 1 1 58 58 GLN HB2 H 1 2.133 0.01 . 2 . . . . . . . . 5975 2 489 . 1 1 58 58 GLN CG C 13 33.684 0.2 . 1 . . . . . . . . 5975 2 490 . 1 1 58 58 GLN HG2 H 1 2.387 0.01 . 2 . . . . . . . . 5975 2 491 . 1 1 58 58 GLN NE2 N 15 117.258 0.2 . 1 . . . . . . . . 5975 2 492 . 1 1 58 58 GLN HE21 H 1 6.980 0.01 . 2 . . . . . . . . 5975 2 493 . 1 1 58 58 GLN HE22 H 1 7.961 0.01 . 2 . . . . . . . . 5975 2 494 . 1 1 59 59 GLU N N 15 118.363 0.2 . 1 . . . . . . . . 5975 2 495 . 1 1 59 59 GLU H H 1 7.808 0.01 . 1 . . . . . . . . 5975 2 496 . 1 1 59 59 GLU HA H 1 4.066 0.01 . 1 . . . . . . . . 5975 2 497 . 1 1 59 59 GLU CB C 13 29.491 0.2 . 1 . . . . . . . . 5975 2 498 . 1 1 59 59 GLU HB2 H 1 2.076 0.01 . 2 . . . . . . . . 5975 2 499 . 1 1 59 59 GLU CG C 13 36.467 0.2 . 1 . . . . . . . . 5975 2 500 . 1 1 59 59 GLU HG3 H 1 2.428 0.01 . 2 . . . . . . . . 5975 2 501 . 1 1 59 59 GLU HG2 H 1 2.186 0.01 . 2 . . . . . . . . 5975 2 502 . 1 1 60 60 MET N N 15 117.806 0.2 . 1 . . . . . . . . 5975 2 503 . 1 1 60 60 MET H H 1 7.835 0.01 . 1 . . . . . . . . 5975 2 504 . 1 1 60 60 MET HA H 1 3.975 0.01 . 1 . . . . . . . . 5975 2 505 . 1 1 60 60 MET HB3 H 1 2.195 0.01 . 2 . . . . . . . . 5975 2 506 . 1 1 60 60 MET HB2 H 1 2.182 0.01 . 2 . . . . . . . . 5975 2 507 . 1 1 60 60 MET HG3 H 1 2.443 0.01 . 2 . . . . . . . . 5975 2 508 . 1 1 60 60 MET HG2 H 1 2.433 0.01 . 2 . . . . . . . . 5975 2 509 . 1 1 60 60 MET CE C 13 17.582 0.2 . 1 . . . . . . . . 5975 2 510 . 1 1 60 60 MET HE1 H 1 1.980 0.01 . 1 . . . . . . . . 5975 2 511 . 1 1 60 60 MET HE2 H 1 1.980 0.01 . 1 . . . . . . . . 5975 2 512 . 1 1 60 60 MET HE3 H 1 1.980 0.01 . 1 . . . . . . . . 5975 2 513 . 1 1 61 61 ILE N N 15 120.623 0.2 . 1 . . . . . . . . 5975 2 514 . 1 1 61 61 ILE H H 1 8.360 0.01 . 1 . . . . . . . . 5975 2 515 . 1 1 61 61 ILE HA H 1 3.203 0.01 . 1 . . . . . . . . 5975 2 516 . 1 1 61 61 ILE HB H 1 1.894 0.01 . 1 . . . . . . . . 5975 2 517 . 1 1 61 61 ILE CG1 C 13 23.972 0.2 . 2 . . . . . . . . 5975 2 518 . 1 1 61 61 ILE HG13 H 1 1.793 0.01 . 1 . . . . . . . . 5975 2 519 . 1 1 61 61 ILE HG12 H 1 0.804 0.01 . 1 . . . . . . . . 5975 2 520 . 1 1 61 61 ILE CD1 C 13 14.270 0.2 . 1 . . . . . . . . 5975 2 521 . 1 1 61 61 ILE HD11 H 1 0.683 0.01 . 1 . . . . . . . . 5975 2 522 . 1 1 61 61 ILE HD12 H 1 0.683 0.01 . 1 . . . . . . . . 5975 2 523 . 1 1 61 61 ILE HD13 H 1 0.683 0.01 . 1 . . . . . . . . 5975 2 524 . 1 1 61 61 ILE CG2 C 13 17.235 0.2 . 1 . . . . . . . . 5975 2 525 . 1 1 61 61 ILE HG21 H 1 0.879 0.01 . 1 . . . . . . . . 5975 2 526 . 1 1 61 61 ILE HG22 H 1 0.879 0.01 . 1 . . . . . . . . 5975 2 527 . 1 1 61 61 ILE HG23 H 1 0.879 0.01 . 1 . . . . . . . . 5975 2 528 . 1 1 62 62 ASP N N 15 117.843 0.2 . 1 . . . . . . . . 5975 2 529 . 1 1 62 62 ASP H H 1 8.339 0.01 . 1 . . . . . . . . 5975 2 530 . 1 1 62 62 ASP HA H 1 4.290 0.01 . 1 . . . . . . . . 5975 2 531 . 1 1 62 62 ASP CB C 13 40.112 0.2 . 1 . . . . . . . . 5975 2 532 . 1 1 62 62 ASP HB3 H 1 2.809 0.01 . 2 . . . . . . . . 5975 2 533 . 1 1 62 62 ASP HB2 H 1 2.640 0.01 . 2 . . . . . . . . 5975 2 534 . 1 1 63 63 GLU N N 15 116.208 0.2 . 1 . . . . . . . . 5975 2 535 . 1 1 63 63 GLU H H 1 7.644 0.01 . 1 . . . . . . . . 5975 2 536 . 1 1 63 63 GLU CA C 13 58.130 0.2 . 1 . . . . . . . . 5975 2 537 . 1 1 63 63 GLU HA H 1 4.183 0.01 . 1 . . . . . . . . 5975 2 538 . 1 1 63 63 GLU CB C 13 30.814 0.2 . 1 . . . . . . . . 5975 2 539 . 1 1 63 63 GLU HB2 H 1 2.029 0.01 . 2 . . . . . . . . 5975 2 540 . 1 1 63 63 GLU HG3 H 1 2.413 0.01 . 2 . . . . . . . . 5975 2 541 . 1 1 63 63 GLU HG2 H 1 2.290 0.01 . 2 . . . . . . . . 5975 2 542 . 1 1 64 64 VAL N N 15 115.089 0.2 . 1 . . . . . . . . 5975 2 543 . 1 1 64 64 VAL H H 1 8.266 0.01 . 1 . . . . . . . . 5975 2 544 . 1 1 64 64 VAL HA H 1 4.032 0.01 . 1 . . . . . . . . 5975 2 545 . 1 1 64 64 VAL HB H 1 2.136 0.01 . 1 . . . . . . . . 5975 2 546 . 1 1 64 64 VAL CG2 C 13 20.590 0.2 . 1 . . . . . . . . 5975 2 547 . 1 1 64 64 VAL HG21 H 1 0.941 0.01 . 2 . . . . . . . . 5975 2 548 . 1 1 64 64 VAL HG22 H 1 0.941 0.01 . 2 . . . . . . . . 5975 2 549 . 1 1 64 64 VAL HG23 H 1 0.941 0.01 . 2 . . . . . . . . 5975 2 550 . 1 1 64 64 VAL CG1 C 13 21.819 0.2 . 1 . . . . . . . . 5975 2 551 . 1 1 64 64 VAL HG11 H 1 0.854 0.01 . 2 . . . . . . . . 5975 2 552 . 1 1 64 64 VAL HG12 H 1 0.854 0.01 . 2 . . . . . . . . 5975 2 553 . 1 1 64 64 VAL HG13 H 1 0.854 0.01 . 2 . . . . . . . . 5975 2 554 . 1 1 65 65 ASP N N 15 119.678 0.2 . 1 . . . . . . . . 5975 2 555 . 1 1 65 65 ASP H H 1 8.385 0.01 . 1 . . . . . . . . 5975 2 556 . 1 1 65 65 ASP HA H 1 4.986 0.01 . 1 . . . . . . . . 5975 2 557 . 1 1 65 65 ASP HB3 H 1 2.966 0.01 . 2 . . . . . . . . 5975 2 558 . 1 1 65 65 ASP HB2 H 1 2.074 0.01 . 2 . . . . . . . . 5975 2 559 . 1 1 66 66 GLU N N 15 126.759 0.2 . 1 . . . . . . . . 5975 2 560 . 1 1 66 66 GLU H H 1 8.194 0.01 . 1 . . . . . . . . 5975 2 561 . 1 1 66 66 GLU HA H 1 4.004 0.01 . 1 . . . . . . . . 5975 2 562 . 1 1 66 66 GLU CB C 13 30.396 0.2 . 1 . . . . . . . . 5975 2 563 . 1 1 66 66 GLU HB3 H 1 2.171 0.01 . 2 . . . . . . . . 5975 2 564 . 1 1 66 66 GLU HB2 H 1 2.164 0.01 . 2 . . . . . . . . 5975 2 565 . 1 1 66 66 GLU CG C 13 36.702 0.2 . 1 . . . . . . . . 5975 2 566 . 1 1 66 66 GLU HG3 H 1 2.429 0.01 . 2 . . . . . . . . 5975 2 567 . 1 1 66 66 GLU HG2 H 1 2.349 0.01 . 2 . . . . . . . . 5975 2 568 . 1 1 67 67 ASP N N 15 113.633 0.2 . 1 . . . . . . . . 5975 2 569 . 1 1 67 67 ASP H H 1 7.980 0.01 . 1 . . . . . . . . 5975 2 570 . 1 1 67 67 ASP HA H 1 4.659 0.01 . 1 . . . . . . . . 5975 2 571 . 1 1 67 67 ASP CB C 13 39.716 0.2 . 1 . . . . . . . . 5975 2 572 . 1 1 67 67 ASP HB3 H 1 3.105 0.01 . 2 . . . . . . . . 5975 2 573 . 1 1 67 67 ASP HB2 H 1 2.756 0.01 . 2 . . . . . . . . 5975 2 574 . 1 1 68 68 GLY N N 15 109.358 0.2 . 1 . . . . . . . . 5975 2 575 . 1 1 68 68 GLY H H 1 7.982 0.01 . 1 . . . . . . . . 5975 2 576 . 1 1 68 68 GLY HA3 H 1 3.865 0.01 . 2 . . . . . . . . 5975 2 577 . 1 1 68 68 GLY HA2 H 1 3.785 0.01 . 2 . . . . . . . . 5975 2 578 . 1 1 69 69 SER N N 15 115.778 0.2 . 1 . . . . . . . . 5975 2 579 . 1 1 69 69 SER H H 1 8.449 0.01 . 1 . . . . . . . . 5975 2 580 . 1 1 69 69 SER HA H 1 4.218 0.01 . 1 . . . . . . . . 5975 2 581 . 1 1 69 69 SER HB3 H 1 3.926 0.01 . 2 . . . . . . . . 5975 2 582 . 1 1 70 70 GLY N N 15 116.624 0.2 . 1 . . . . . . . . 5975 2 583 . 1 1 70 70 GLY H H 1 10.893 0.01 . 1 . . . . . . . . 5975 2 584 . 1 1 70 70 GLY HA3 H 1 4.222 0.01 . 2 . . . . . . . . 5975 2 585 . 1 1 70 70 GLY HA2 H 1 3.624 0.01 . 2 . . . . . . . . 5975 2 586 . 1 1 71 71 THR N N 15 110.492 0.2 . 1 . . . . . . . . 5975 2 587 . 1 1 71 71 THR H H 1 7.898 0.01 . 1 . . . . . . . . 5975 2 588 . 1 1 71 71 THR HA H 1 5.071 0.01 . 1 . . . . . . . . 5975 2 589 . 1 1 71 71 THR HB H 1 3.951 0.01 . 1 . . . . . . . . 5975 2 590 . 1 1 71 71 THR CG2 C 13 22.563 0.2 . 1 . . . . . . . . 5975 2 591 . 1 1 71 71 THR HG21 H 1 1.169 0.01 . 1 . . . . . . . . 5975 2 592 . 1 1 71 71 THR HG22 H 1 1.169 0.01 . 1 . . . . . . . . 5975 2 593 . 1 1 71 71 THR HG23 H 1 1.169 0.01 . 1 . . . . . . . . 5975 2 594 . 1 1 72 72 VAL N N 15 126.863 0.2 . 1 . . . . . . . . 5975 2 595 . 1 1 72 72 VAL H H 1 9.873 0.01 . 1 . . . . . . . . 5975 2 596 . 1 1 72 72 VAL HA H 1 5.126 0.01 . 1 . . . . . . . . 5975 2 597 . 1 1 72 72 VAL HB H 1 2.188 0.01 . 1 . . . . . . . . 5975 2 598 . 1 1 72 72 VAL CG2 C 13 21.481 0.2 . 1 . . . . . . . . 5975 2 599 . 1 1 72 72 VAL HG21 H 1 1.159 0.01 . 2 . . . . . . . . 5975 2 600 . 1 1 72 72 VAL HG22 H 1 1.159 0.01 . 2 . . . . . . . . 5975 2 601 . 1 1 72 72 VAL HG23 H 1 1.159 0.01 . 2 . . . . . . . . 5975 2 602 . 1 1 72 72 VAL CG1 C 13 21.845 0.2 . 1 . . . . . . . . 5975 2 603 . 1 1 72 72 VAL HG11 H 1 0.816 0.01 . 2 . . . . . . . . 5975 2 604 . 1 1 72 72 VAL HG12 H 1 0.816 0.01 . 2 . . . . . . . . 5975 2 605 . 1 1 72 72 VAL HG13 H 1 0.816 0.01 . 2 . . . . . . . . 5975 2 606 . 1 1 73 73 ASP N N 15 127.425 0.2 . 1 . . . . . . . . 5975 2 607 . 1 1 73 73 ASP H H 1 8.550 0.01 . 1 . . . . . . . . 5975 2 608 . 1 1 73 73 ASP HA H 1 5.228 0.01 . 1 . . . . . . . . 5975 2 609 . 1 1 73 73 ASP HB3 H 1 3.294 0.01 . 2 . . . . . . . . 5975 2 610 . 1 1 73 73 ASP HB2 H 1 2.783 0.01 . 2 . . . . . . . . 5975 2 611 . 1 1 74 74 PHE N N 15 118.354 0.2 . 1 . . . . . . . . 5975 2 612 . 1 1 74 74 PHE H H 1 8.849 0.01 . 1 . . . . . . . . 5975 2 613 . 1 1 74 74 PHE HA H 1 3.388 0.01 . 1 . . . . . . . . 5975 2 614 . 1 1 74 74 PHE HB3 H 1 2.604 0.01 . 2 . . . . . . . . 5975 2 615 . 1 1 74 74 PHE HB2 H 1 2.497 0.01 . 2 . . . . . . . . 5975 2 616 . 1 1 74 74 PHE HD1 H 1 6.615 0.01 . 3 . . . . . . . . 5975 2 617 . 1 1 74 74 PHE HE1 H 1 7.177 0.01 . 3 . . . . . . . . 5975 2 618 . 1 1 74 74 PHE HZ H 1 7.442 0.01 . 1 . . . . . . . . 5975 2 619 . 1 1 75 75 ASP N N 15 117.762 0.2 . 1 . . . . . . . . 5975 2 620 . 1 1 75 75 ASP H H 1 7.749 0.01 . 1 . . . . . . . . 5975 2 621 . 1 1 75 75 ASP HA H 1 4.076 0.01 . 1 . . . . . . . . 5975 2 622 . 1 1 75 75 ASP HB3 H 1 2.743 0.01 . 2 . . . . . . . . 5975 2 623 . 1 1 75 75 ASP HB2 H 1 2.603 0.01 . 2 . . . . . . . . 5975 2 624 . 1 1 76 76 GLU N N 15 121.167 0.2 . 1 . . . . . . . . 5975 2 625 . 1 1 76 76 GLU H H 1 8.404 0.01 . 1 . . . . . . . . 5975 2 626 . 1 1 76 76 GLU HA H 1 4.021 0.01 . 1 . . . . . . . . 5975 2 627 . 1 1 76 76 GLU HB3 H 1 2.379 0.01 . 2 . . . . . . . . 5975 2 628 . 1 1 76 76 GLU HB2 H 1 1.982 0.01 . 2 . . . . . . . . 5975 2 629 . 1 1 76 76 GLU HG3 H 1 2.923 0.01 . 2 . . . . . . . . 5975 2 630 . 1 1 76 76 GLU HG2 H 1 2.468 0.01 . 2 . . . . . . . . 5975 2 631 . 1 1 77 77 PHE N N 15 122.205 0.2 . 1 . . . . . . . . 5975 2 632 . 1 1 77 77 PHE H H 1 8.964 0.01 . 1 . . . . . . . . 5975 2 633 . 1 1 77 77 PHE HA H 1 3.871 0.01 . 1 . . . . . . . . 5975 2 634 . 1 1 77 77 PHE HB3 H 1 3.183 0.01 . 2 . . . . . . . . 5975 2 635 . 1 1 77 77 PHE HB2 H 1 3.083 0.01 . 2 . . . . . . . . 5975 2 636 . 1 1 77 77 PHE HD1 H 1 7.002 0.01 . 3 . . . . . . . . 5975 2 637 . 1 1 77 77 PHE HE1 H 1 7.395 0.01 . 3 . . . . . . . . 5975 2 638 . 1 1 78 78 LEU N N 15 118.685 0.2 . 1 . . . . . . . . 5975 2 639 . 1 1 78 78 LEU H H 1 8.015 0.01 . 1 . . . . . . . . 5975 2 640 . 1 1 78 78 LEU HA H 1 3.388 0.01 . 1 . . . . . . . . 5975 2 641 . 1 1 78 78 LEU HB3 H 1 1.889 0.01 . 2 . . . . . . . . 5975 2 642 . 1 1 78 78 LEU HB2 H 1 1.047 0.01 . 2 . . . . . . . . 5975 2 643 . 1 1 78 78 LEU HG H 1 1.056 0.01 . 1 . . . . . . . . 5975 2 644 . 1 1 78 78 LEU CD1 C 13 26.057 0.2 . 1 . . . . . . . . 5975 2 645 . 1 1 78 78 LEU HD11 H 1 0.662 0.01 . 2 . . . . . . . . 5975 2 646 . 1 1 78 78 LEU HD12 H 1 0.662 0.01 . 2 . . . . . . . . 5975 2 647 . 1 1 78 78 LEU HD13 H 1 0.662 0.01 . 2 . . . . . . . . 5975 2 648 . 1 1 78 78 LEU CD2 C 13 24.169 0.2 . 1 . . . . . . . . 5975 2 649 . 1 1 78 78 LEU HD21 H 1 0.711 0.01 . 2 . . . . . . . . 5975 2 650 . 1 1 78 78 LEU HD22 H 1 0.711 0.01 . 2 . . . . . . . . 5975 2 651 . 1 1 78 78 LEU HD23 H 1 0.711 0.01 . 2 . . . . . . . . 5975 2 652 . 1 1 79 79 VAL N N 15 118.363 0.2 . 1 . . . . . . . . 5975 2 653 . 1 1 79 79 VAL H H 1 6.983 0.01 . 1 . . . . . . . . 5975 2 654 . 1 1 79 79 VAL HA H 1 3.185 0.01 . 1 . . . . . . . . 5975 2 655 . 1 1 79 79 VAL HB H 1 2.321 0.01 . 1 . . . . . . . . 5975 2 656 . 1 1 79 79 VAL CG2 C 13 23.667 0.2 . 1 . . . . . . . . 5975 2 657 . 1 1 79 79 VAL HG21 H 1 1.016 0.01 . 2 . . . . . . . . 5975 2 658 . 1 1 79 79 VAL HG22 H 1 1.016 0.01 . 2 . . . . . . . . 5975 2 659 . 1 1 79 79 VAL HG23 H 1 1.016 0.01 . 2 . . . . . . . . 5975 2 660 . 1 1 79 79 VAL CG1 C 13 21.415 0.2 . 1 . . . . . . . . 5975 2 661 . 1 1 79 79 VAL HG11 H 1 0.570 0.01 . 2 . . . . . . . . 5975 2 662 . 1 1 79 79 VAL HG12 H 1 0.570 0.01 . 2 . . . . . . . . 5975 2 663 . 1 1 79 79 VAL HG13 H 1 0.570 0.01 . 2 . . . . . . . . 5975 2 664 . 1 1 80 80 MET N N 15 118.972 0.2 . 1 . . . . . . . . 5975 2 665 . 1 1 80 80 MET H H 1 7.835 0.01 . 1 . . . . . . . . 5975 2 666 . 1 1 80 80 MET HA H 1 3.510 0.01 . 1 . . . . . . . . 5975 2 667 . 1 1 80 80 MET HB3 H 1 2.138 0.01 . 2 . . . . . . . . 5975 2 668 . 1 1 80 80 MET HB2 H 1 1.819 0.01 . 2 . . . . . . . . 5975 2 669 . 1 1 80 80 MET HG3 H 1 2.534 0.01 . 2 . . . . . . . . 5975 2 670 . 1 1 80 80 MET HG2 H 1 2.008 0.01 . 2 . . . . . . . . 5975 2 671 . 1 1 80 80 MET CE C 13 18.205 0.2 . 1 . . . . . . . . 5975 2 672 . 1 1 80 80 MET HE1 H 1 1.775 0.01 . 1 . . . . . . . . 5975 2 673 . 1 1 80 80 MET HE2 H 1 1.775 0.01 . 1 . . . . . . . . 5975 2 674 . 1 1 80 80 MET HE3 H 1 1.775 0.01 . 1 . . . . . . . . 5975 2 675 . 1 1 81 81 MET N N 15 116.716 0.2 . 1 . . . . . . . . 5975 2 676 . 1 1 81 81 MET H H 1 8.136 0.01 . 1 . . . . . . . . 5975 2 677 . 1 1 81 81 MET HA H 1 3.923 0.01 . 1 . . . . . . . . 5975 2 678 . 1 1 81 81 MET HB3 H 1 1.482 0.01 . 2 . . . . . . . . 5975 2 679 . 1 1 81 81 MET HB2 H 1 0.910 0.01 . 2 . . . . . . . . 5975 2 680 . 1 1 81 81 MET HG3 H 1 1.256 0.01 . 2 . . . . . . . . 5975 2 681 . 1 1 81 81 MET HG2 H 1 0.984 0.01 . 2 . . . . . . . . 5975 2 682 . 1 1 81 81 MET CE C 13 19.070 0.2 . 1 . . . . . . . . 5975 2 683 . 1 1 81 81 MET HE1 H 1 1.358 0.01 . 1 . . . . . . . . 5975 2 684 . 1 1 81 81 MET HE2 H 1 1.358 0.01 . 1 . . . . . . . . 5975 2 685 . 1 1 81 81 MET HE3 H 1 1.358 0.01 . 1 . . . . . . . . 5975 2 686 . 1 1 82 82 VAL N N 15 116.474 0.2 . 1 . . . . . . . . 5975 2 687 . 1 1 82 82 VAL H H 1 7.952 0.01 . 1 . . . . . . . . 5975 2 688 . 1 1 82 82 VAL HA H 1 3.952 0.01 . 1 . . . . . . . . 5975 2 689 . 1 1 82 82 VAL HB H 1 2.237 0.01 . 1 . . . . . . . . 5975 2 690 . 1 1 82 82 VAL CG2 C 13 22.832 0.2 . 1 . . . . . . . . 5975 2 691 . 1 1 82 82 VAL HG21 H 1 1.132 0.01 . 2 . . . . . . . . 5975 2 692 . 1 1 82 82 VAL HG22 H 1 1.132 0.01 . 2 . . . . . . . . 5975 2 693 . 1 1 82 82 VAL HG23 H 1 1.132 0.01 . 2 . . . . . . . . 5975 2 694 . 1 1 82 82 VAL CG1 C 13 21.885 0.2 . 1 . . . . . . . . 5975 2 695 . 1 1 82 82 VAL HG11 H 1 0.996 0.01 . 2 . . . . . . . . 5975 2 696 . 1 1 82 82 VAL HG12 H 1 0.996 0.01 . 2 . . . . . . . . 5975 2 697 . 1 1 82 82 VAL HG13 H 1 0.996 0.01 . 2 . . . . . . . . 5975 2 698 . 1 1 83 83 ARG N N 15 121.461 0.2 . 1 . . . . . . . . 5975 2 699 . 1 1 83 83 ARG H H 1 8.012 0.01 . 1 . . . . . . . . 5975 2 700 . 1 1 83 83 ARG HA H 1 3.776 0.01 . 1 . . . . . . . . 5975 2 701 . 1 1 83 83 ARG HB3 H 1 1.865 0.01 . 2 . . . . . . . . 5975 2 702 . 1 1 83 83 ARG HB2 H 1 1.679 0.01 . 2 . . . . . . . . 5975 2 703 . 1 1 83 83 ARG HG3 H 1 1.399 0.01 . 2 . . . . . . . . 5975 2 704 . 1 1 83 83 ARG HG2 H 1 1.136 0.01 . 2 . . . . . . . . 5975 2 705 . 1 1 84 84 CYS N N 15 115.501 0.2 . 1 . . . . . . . . 5975 2 706 . 1 1 84 84 CYS H H 1 7.804 0.01 . 1 . . . . . . . . 5975 2 707 . 1 1 84 84 CYS HA H 1 4.282 0.01 . 1 . . . . . . . . 5975 2 708 . 1 1 84 84 CYS HB2 H 1 2.888 0.01 . 2 . . . . . . . . 5975 2 709 . 1 1 85 85 MET N N 15 119.316 0.2 . 1 . . . . . . . . 5975 2 710 . 1 1 85 85 MET H H 1 7.644 0.01 . 1 . . . . . . . . 5975 2 711 . 1 1 85 85 MET HA H 1 4.300 0.01 . 1 . . . . . . . . 5975 2 712 . 1 1 85 85 MET HB3 H 1 2.200 0.01 . 2 . . . . . . . . 5975 2 713 . 1 1 85 85 MET HB2 H 1 2.096 0.01 . 2 . . . . . . . . 5975 2 714 . 1 1 85 85 MET CG C 13 32.107 0.2 . 1 . . . . . . . . 5975 2 715 . 1 1 85 85 MET HG3 H 1 2.807 0.01 . 2 . . . . . . . . 5975 2 716 . 1 1 85 85 MET HG2 H 1 2.606 0.01 . 2 . . . . . . . . 5975 2 717 . 1 1 85 85 MET CE C 13 16.885 0.2 . 1 . . . . . . . . 5975 2 718 . 1 1 85 85 MET HE1 H 1 2.150 0.01 . 1 . . . . . . . . 5975 2 719 . 1 1 85 85 MET HE2 H 1 2.150 0.01 . 1 . . . . . . . . 5975 2 720 . 1 1 85 85 MET HE3 H 1 2.150 0.01 . 1 . . . . . . . . 5975 2 721 . 1 1 86 86 LYS N N 15 121.618 0.2 . 1 . . . . . . . . 5975 2 722 . 1 1 86 86 LYS H H 1 7.930 0.01 . 1 . . . . . . . . 5975 2 723 . 1 1 86 86 LYS HA H 1 4.311 0.01 . 1 . . . . . . . . 5975 2 724 . 1 1 86 86 LYS CB C 13 33.071 0.2 . 1 . . . . . . . . 5975 2 725 . 1 1 86 86 LYS HB2 H 1 1.875 0.01 . 2 . . . . . . . . 5975 2 726 . 1 1 86 86 LYS CG C 13 24.410 0.2 . 1 . . . . . . . . 5975 2 727 . 1 1 86 86 LYS HG2 H 1 1.477 0.01 . 2 . . . . . . . . 5975 2 728 . 1 1 86 86 LYS CD C 13 28.984 0.2 . 1 . . . . . . . . 5975 2 729 . 1 1 86 86 LYS HD2 H 1 1.718 0.01 . 2 . . . . . . . . 5975 2 730 . 1 1 86 86 LYS HE2 H 1 3.034 0.01 . 2 . . . . . . . . 5975 2 731 . 1 1 87 87 ASP N N 15 122.447 0.2 . 1 . . . . . . . . 5975 2 732 . 1 1 87 87 ASP H H 1 8.479 0.01 . 1 . . . . . . . . 5975 2 733 . 1 1 87 87 ASP CA C 13 54.169 0.2 . 1 . . . . . . . . 5975 2 734 . 1 1 87 87 ASP HA H 1 4.688 0.01 . 1 . . . . . . . . 5975 2 735 . 1 1 87 87 ASP HB3 H 1 2.781 0.01 . 2 . . . . . . . . 5975 2 736 . 1 1 87 87 ASP HB2 H 1 2.669 0.01 . 2 . . . . . . . . 5975 2 737 . 1 1 88 88 ASP N N 15 122.417 0.2 . 1 . . . . . . . . 5975 2 738 . 1 1 88 88 ASP H H 1 8.408 0.01 . 1 . . . . . . . . 5975 2 739 . 1 1 88 88 ASP CA C 13 54.026 0.2 . 1 . . . . . . . . 5975 2 740 . 1 1 88 88 ASP HA H 1 4.713 0.01 . 1 . . . . . . . . 5975 2 741 . 1 1 88 88 ASP CB C 13 41.023 0.2 . 1 . . . . . . . . 5975 2 742 . 1 1 88 88 ASP HB3 H 1 2.750 0.01 . 2 . . . . . . . . 5975 2 743 . 1 1 88 88 ASP HB2 H 1 2.671 0.01 . 2 . . . . . . . . 5975 2 744 . 1 1 89 89 SER N N 15 121.797 0.2 . 1 . . . . . . . . 5975 2 745 . 1 1 89 89 SER H H 1 8.046 0.01 . 1 . . . . . . . . 5975 2 746 . 1 1 89 89 SER CA C 13 60.389 0.2 . 1 . . . . . . . . 5975 2 747 . 1 1 89 89 SER HA H 1 4.221 0.01 . 1 . . . . . . . . 5975 2 748 . 1 1 89 89 SER CB C 13 64.625 0.2 . 1 . . . . . . . . 5975 2 749 . 1 1 89 89 SER HB3 H 1 3.878 0.01 . 2 . . . . . . . . 5975 2 stop_ save_