data_19328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19328 _Entry.Title ; Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2013-06-28 _Entry.Accession_date 2013-06-28 _Entry.Last_release_date 2013-08-02 _Entry.Original_release_date 2013-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Faizule Hassan . . . 19328 2 Theresa Ramelot . A. . 19328 3 Yunhuang Yang . . . 19328 4 John Cort . R. . 19328 5 Haleema Janjua . . . 19328 6 Eitan Kohan . . . 19328 7 Dan Lee . . . 19328 8 Rong Xiao . . . 19328 9 Thomas Acton . B. . 19328 10 John Everett . K. . 19328 11 Gaetano Montelione . T. . 19328 12 Michael Kennedy . A. . 19328 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Northeast Structural Genomics Consortium' . 19328 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Structural Genomics' . 19328 'Protein NMR' . 19328 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 19328 'Target HR7375C' . 19328 PSI-Biology . 19328 'Protein Structure Initiative' . 19328 'Zinc binding protein' . 19328 PHD . 19328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19328 spectral_peak_list 2 19328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 390 19328 '13C chemical shifts' 251 19328 '15N chemical shifts' 62 19328 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 . . 2013-08-02 2013-06-28 original author . 19328 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19328 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Faizule Hassan . . . 19328 1 2 Theresa Ramelot . A. . 19328 1 3 Yunhuang Yang . . . 19328 1 4 John Cort . R. . 19328 1 5 Haleema Janjua . . . 19328 1 6 Eitan Kohan . . . 19328 1 7 Dan Lee . . . 19328 1 8 Rong Xiao . . . 19328 1 9 Thomas Acton . B. . 19328 1 10 John Everett . K. . 19328 1 11 Gaetano Montelione . T. . 19328 1 12 Michael Kennedy . A. . 19328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19328 _Assembly.ID 1 _Assembly.Name HR7375C _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR7375C 1 $HR7375C A . yes native no no . . . 19328 1 2 'Zinc ion, 1' 2 $entity_ZN A . no native no no . . . 19328 1 3 'Zinc ion, 2' 2 $entity_ZN A . no native no no . . . 19328 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 3 disulfide single . 1 . 1 CYS 34 34 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 4 disulfide single . 1 . 1 HIS 31 31 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 5 disulfide single . 1 . 1 CYS 49 49 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 6 disulfide single . 1 . 1 CYS 52 52 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 7 disulfide single . 1 . 1 CYS 26 26 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 8 disulfide single . 1 . 1 CYS 22 22 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 19328 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Lysine-specific demethylase of Histone H3K4' 19328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR7375C _Entity.Sf_category entity _Entity.Sf_framecode HR7375C _Entity.Entry_ID 19328 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR7375C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMCPAVSCLQPEGDEVDWV QCDGSCNQWFHQVCVGVSPE MAEKEDYICVRCTVKDAPSR K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Three non-native residues at the N-terminus, SHM. Residues 1487 to 1544 from KDM5B.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6934.479 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP Q9UGL1 . KDM5B_HUMAN . . . . . . . . . . . . . . 19328 1 2 yes HUGO KD5MB . KD5MB . . . . . . . . . . . . . . 19328 1 3 no PDB 2MA5 . "Solution Nmr Structure Of Phd Type Zinc Finger Domain Of Lysine- Specific Demethylase 5b (plu-1/jarid1b) From Homo Sapiens, Nor" . . . . . 100.00 61 100.00 100.00 3.64e-36 . . . . 19328 1 4 no DBJ BAG51084 . "unnamed protein product [Homo sapiens]" . . . . . 96.72 403 98.31 100.00 4.15e-33 . . . . 19328 1 5 no EMBL CAB43532 . "PLU-1 protein [Homo sapiens]" . . . . . 96.72 1544 98.31 100.00 7.43e-32 . . . . 19328 1 6 no EMBL CAB61368 . "hypothetical protein [Homo sapiens]" . . . . . 96.72 1350 98.31 100.00 4.87e-32 . . . . 19328 1 7 no EMBL CAB61375 . "hypothetical protein [Homo sapiens]" . . . . . 96.72 1028 98.31 100.00 2.08e-32 . . . . 19328 1 8 no EMBL CAB61395 . "hypothetical protein [Homo sapiens]" . . . . . 96.72 916 98.31 100.00 1.26e-32 . . . . 19328 1 9 no EMBL CAB63108 . "RB-binding protein [Homo sapiens]" . . . . . 96.72 1681 98.31 100.00 7.80e-32 . . . . 19328 1 10 no GB AAD16061 . "retinoblastoma binding protein 2 homolog 1 [Homo sapiens]" . . . . . 96.72 1580 98.31 100.00 8.22e-32 . . . . 19328 1 11 no GB AAI56050 . "Jumonji, AT rich interactive domain 1B, partial [synthetic construct]" . . . . . 96.72 1544 98.31 100.00 7.43e-32 . . . . 19328 1 12 no GB AAI57032 . "Jumonji, AT rich interactive domain 1B [synthetic construct]" . . . . . 96.72 1544 98.31 100.00 7.43e-32 . . . . 19328 1 13 no GB EAW91433 . "Jumonji, AT rich interactive domain 1B (RBP2-like), isoform CRA_b, partial [Homo sapiens]" . . . . . 96.72 1677 98.31 100.00 8.92e-32 . . . . 19328 1 14 no GB EAW91435 . "Jumonji, AT rich interactive domain 1B (RBP2-like), isoform CRA_d, partial [Homo sapiens]" . . . . . 96.72 1641 98.31 100.00 9.52e-32 . . . . 19328 1 15 no REF NP_001300971 . "lysine-specific demethylase 5B isoform 1 [Homo sapiens]" . . . . . 96.72 1580 98.31 100.00 6.97e-32 . . . . 19328 1 16 no REF NP_006609 . "lysine-specific demethylase 5B isoform 2 [Homo sapiens]" . . . . . 96.72 1544 98.31 100.00 7.43e-32 . . . . 19328 1 17 no REF XP_002807770 . "PREDICTED: lysine-specific demethylase 5B isoform X1 [Callithrix jacchus]" . . . . . 96.72 1544 98.31 100.00 8.34e-32 . . . . 19328 1 18 no REF XP_002808303 . "PREDICTED: LOW QUALITY PROTEIN: lysine-specific demethylase 5B-like [Macaca mulatta]" . . . . . 96.72 1578 98.31 100.00 1.08e-31 . . . . 19328 1 19 no REF XP_003792395 . "PREDICTED: lysine-specific demethylase 5B [Otolemur garnettii]" . . . . . 96.72 1479 98.31 100.00 8.52e-32 . . . . 19328 1 20 no SP Q9UGL1 . "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Cancer/testis antigen 31; Short=CT31; AltName: Full=Histone demethy" . . . . . 96.72 1544 98.31 100.00 7.43e-32 . . . . 19328 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Lysine-specific demethylase' 19328 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 . SER . 19328 1 2 . HIS . 19328 1 3 . MET . 19328 1 4 . CYS . 19328 1 5 . PRO . 19328 1 6 . ALA . 19328 1 7 . VAL . 19328 1 8 . SER . 19328 1 9 . CYS . 19328 1 10 . LEU . 19328 1 11 . GLN . 19328 1 12 . PRO . 19328 1 13 . GLU . 19328 1 14 . GLY . 19328 1 15 . ASP . 19328 1 16 . GLU . 19328 1 17 . VAL . 19328 1 18 . ASP . 19328 1 19 . TRP . 19328 1 20 . VAL . 19328 1 21 . GLN . 19328 1 22 . CYS . 19328 1 23 . ASP . 19328 1 24 . GLY . 19328 1 25 . SER . 19328 1 26 . CYS . 19328 1 27 . ASN . 19328 1 28 . GLN . 19328 1 29 . TRP . 19328 1 30 . PHE . 19328 1 31 . HIS . 19328 1 32 . GLN . 19328 1 33 . VAL . 19328 1 34 . CYS . 19328 1 35 . VAL . 19328 1 36 . GLY . 19328 1 37 . VAL . 19328 1 38 . SER . 19328 1 39 . PRO . 19328 1 40 . GLU . 19328 1 41 . MET . 19328 1 42 . ALA . 19328 1 43 . GLU . 19328 1 44 . LYS . 19328 1 45 . GLU . 19328 1 46 . ASP . 19328 1 47 . TYR . 19328 1 48 . ILE . 19328 1 49 . CYS . 19328 1 50 . VAL . 19328 1 51 . ARG . 19328 1 52 . CYS . 19328 1 53 . THR . 19328 1 54 . VAL . 19328 1 55 . LYS . 19328 1 56 . ASP . 19328 1 57 . ALA . 19328 1 58 . PRO . 19328 1 59 . SER . 19328 1 60 . ARG . 19328 1 61 . LYS . 19328 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 . SER 1 1 19328 1 . HIS 2 2 19328 1 . MET 3 3 19328 1 . CYS 4 4 19328 1 . PRO 5 5 19328 1 . ALA 6 6 19328 1 . VAL 7 7 19328 1 . SER 8 8 19328 1 . CYS 9 9 19328 1 . LEU 10 10 19328 1 . GLN 11 11 19328 1 . PRO 12 12 19328 1 . GLU 13 13 19328 1 . GLY 14 14 19328 1 . ASP 15 15 19328 1 . GLU 16 16 19328 1 . VAL 17 17 19328 1 . ASP 18 18 19328 1 . TRP 19 19 19328 1 . VAL 20 20 19328 1 . GLN 21 21 19328 1 . CYS 22 22 19328 1 . ASP 23 23 19328 1 . GLY 24 24 19328 1 . SER 25 25 19328 1 . CYS 26 26 19328 1 . ASN 27 27 19328 1 . GLN 28 28 19328 1 . TRP 29 29 19328 1 . PHE 30 30 19328 1 . HIS 31 31 19328 1 . GLN 32 32 19328 1 . VAL 33 33 19328 1 . CYS 34 34 19328 1 . VAL 35 35 19328 1 . GLY 36 36 19328 1 . VAL 37 37 19328 1 . SER 38 38 19328 1 . PRO 39 39 19328 1 . GLU 40 40 19328 1 . MET 41 41 19328 1 . ALA 42 42 19328 1 . GLU 43 43 19328 1 . LYS 44 44 19328 1 . GLU 45 45 19328 1 . ASP 46 46 19328 1 . TYR 47 47 19328 1 . ILE 48 48 19328 1 . CYS 49 49 19328 1 . VAL 50 50 19328 1 . ARG 51 51 19328 1 . CYS 52 52 19328 1 . THR 53 53 19328 1 . VAL 54 54 19328 1 . LYS 55 55 19328 1 . ASP 56 56 19328 1 . ALA 57 57 19328 1 . PRO 58 58 19328 1 . SER 59 59 19328 1 . ARG 60 60 19328 1 . LYS 61 61 19328 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19328 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19328 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19328 2 ZN 'Three letter code' 19328 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19328 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19328 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 19328 _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 $HR7375C . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . KDM5B . . . . 19328 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 19328 _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 $HR7375C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15Avi6HT_NESG . . . 'AVI tag cut with TEV protease' . . 19328 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19328 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 Zn _Chem_comp.Formula_weight 65.409 _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 . _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 InChI=1S/Zn/q+2 InChI InChI 1.03 19328 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19328 ZN [Zn++] SMILES CACTVS 3.341 19328 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19328 ZN [Zn+2] SMILES ACDLabs 10.04 19328 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19328 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19328 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19328 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19328 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19328 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_HR7375C.005 _Sample.Sf_category sample _Sample.Sf_framecode NC_HR7375C.005 _Sample.Entry_ID 19328 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.04 mM HR7375C.005, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 HR7375C.005 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $HR7375C . . 1.04 . . mM . . . . 19328 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 19328 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19328 1 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 19328 1 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 19328 1 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 19328 1 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 19328 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19328 1 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19328 1 stop_ save_ save_NC_HR7375C.006 _Sample.Sf_category sample _Sample.Sf_framecode NC_HR7375C.006 _Sample.Entry_ID 19328 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.04 mM HR7375C.006, 90% H2O/10% D2O at PNNL, Richland, WA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 HR7375C.006 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $HR7375C . . 1.04 . . mM . . . . 19328 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 19328 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19328 2 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 19328 2 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 19328 2 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 19328 2 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 19328 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19328 2 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19328 2 stop_ save_ save_NC5_HR7375C.007 _Sample.Sf_category sample _Sample.Sf_framecode NC5_HR7375C.007 _Sample.Entry_ID 19328 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.33 mM HR7375C.007, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 HR7375C.007 '[U-100% 15N] 5% 13C fractionally labeled' 1 $assembly 1 $HR7375C . . 0.33 . . mM . . . . 19328 3 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 19328 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19328 3 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 19328 3 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 19328 3 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 19328 3 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 19328 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19328 3 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19328 3 stop_ save_ save_D2O_NC_HR7375C.005 _Sample.Sf_category sample _Sample.Sf_framecode D2O_NC_HR7375C.005 _Sample.Entry_ID 19328 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.04 mM HR7375C.005, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 HR7375C.005 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $HR7375C . . 1.04 . . mM . . . . 19328 4 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 19328 4 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19328 4 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 19328 4 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 19328 4 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 19328 4 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 19328 4 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19328 4 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19328 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19328 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19328 1 pressure 1 . atm 19328 1 temperature 298 . K 19328 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19328 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 19328 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19328 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19328 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 19328 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 19328 _Software.ID 3 _Software.Name AutoStructure _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 19328 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 19328 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19328 _Software.ID 4 _Software.Name NMRPipe _Software.Version NMRPipe-2008//nmrbin.linux9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19328 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19328 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19328 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19328 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19328 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19328 _Software.ID 6 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19328 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19328 6 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 19328 _Software.ID 7 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 19328 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19328 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19328 _Software.ID 8 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19328 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19328 8 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 19328 _Software.ID 9 _Software.Name TALOS+ _Software.Version 'Version 1.2009.0721.18' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 19328 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19328 9 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19328 _Software.ID 10 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 19328 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19328 10 stop_ save_ save_FMCGUI _Software.Sf_category software _Software.Sf_framecode FMCGUI _Software.Entry_ID 19328 _Software.ID 11 _Software.Name FMCGUI _Software.Version fmcgui2.1_linux _Software.Details 'used for CNS water refinement with Zn' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alex Lemak, Cheryl Arrowmith' 'University of Toronto' . 19328 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19328 11 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_b850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode b850 _NMR_spectrometer.Entry_ID 19328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_v600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode v600 _NMR_spectrometer.Entry_ID 19328 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_v750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode v750 _NMR_spectrometer.Entry_ID 19328 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19328 _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 b850 Bruker 'Avance II' . 850 . 1 $citations 19328 1 2 v600 Varian INOVA . 600 . 1 $citations 19328 1 3 v750 Varian INOVA . 750 . . . 19328 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 19328 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 3 '3D 1H-15N NOESY NUS' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 4 '3D 1H-13C NOESY aliphatic NUS' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 5 '3D 1H-13C NOESY aromatic NUS' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $NC5_HR7375C.007 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $NC5_HR7375C.007 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 8 '2D 1H-15N HSQC HIS' no . . . . . . . . . . 3 $NC5_HR7375C.007 isotropic . . 1 $sample_conditions_1 . . . 1 $b850 . . . . . . . . . . . . . . . . 19328 1 9 '1D 1H-15N HSQC T1 array' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 10 '1D 1H-15N HSQC T2 array' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 11 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 12 '2D 1H-13C HSQC aromatic ct' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 13 '2D 1H-13C HSQC aromatic noct' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 14 '3D HNCACB' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 15 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 16 '3D HN(CO)CA' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 17 '3D HNCO' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 18 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 19 '3D C(CO)NH' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 20 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 22 '3D CCH-TOCSY' no . . . . . . . . . . 1 $NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $D2O_NC_HR7375C.005 isotropic . . 1 $sample_conditions_1 . . . 2 $v600 . . . . . . . . . . . . . . . . 19328 1 24 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $NC_HR7375C.006 isotropic . . 1 $sample_conditions_1 . . . 3 $v750 . . . . . . . . . . . . . . . . 19328 1 25 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $NC_HR7375C.006 isotropic . . 1 $sample_conditions_1 . . . 3 $v750 . . . . . . . . . . . . . . . . 19328 1 26 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $NC_HR7375C.006 isotropic . . 1 $sample_conditions_1 . . . 3 $v750 . . . . . . . . . . . . . . . . 19328 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19328 _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 0.00 internal direct 1.000000000 . . . . . . . . . 19328 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19328 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19328 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 19328 1 3 '3D 1H-15N NOESY NUS' . . . 19328 1 4 '3D 1H-13C NOESY aliphatic NUS' . . . 19328 1 5 '3D 1H-13C NOESY aromatic NUS' . . . 19328 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 HIS HA H 1 4.82 0.02 . 1 . . . A 2 HIS HA . 19328 1 2 . 1 1 2 2 HIS HB2 H 1 3.07 0.02 . 2 . . . A 2 HIS HB2 . 19328 1 3 . 1 1 2 2 HIS HB3 H 1 3.29 0.02 . 2 . . . A 2 HIS HB3 . 19328 1 4 . 1 1 2 2 HIS C C 13 174.0 0.2 . 1 . . . A 2 HIS C . 19328 1 5 . 1 1 2 2 HIS CA C 13 55.8 0.2 . 1 . . . A 2 HIS CA . 19328 1 6 . 1 1 2 2 HIS CB C 13 30.4 0.2 . 1 . . . A 2 HIS CB . 19328 1 7 . 1 1 3 3 MET H H 1 8.45 0.02 . 1 . . . A 3 MET H . 19328 1 8 . 1 1 3 3 MET HA H 1 5.22 0.02 . 1 . . . A 3 MET HA . 19328 1 9 . 1 1 3 3 MET HB2 H 1 2.03 0.02 . 2 . . . A 3 MET HB2 . 19328 1 10 . 1 1 3 3 MET HB3 H 1 2.23 0.02 . 2 . . . A 3 MET HB3 . 19328 1 11 . 1 1 3 3 MET HG2 H 1 2.68 0.02 . 2 . . . A 3 MET HG2 . 19328 1 12 . 1 1 3 3 MET HG3 H 1 2.68 0.02 . 2 . . . A 3 MET HG3 . 19328 1 13 . 1 1 3 3 MET C C 13 176.1 0.2 . 1 . . . A 3 MET C . 19328 1 14 . 1 1 3 3 MET CA C 13 55.8 0.2 . 1 . . . A 3 MET CA . 19328 1 15 . 1 1 3 3 MET CB C 13 34.5 0.2 . 1 . . . A 3 MET CB . 19328 1 16 . 1 1 3 3 MET CG C 13 32.3 0.2 . 1 . . . A 3 MET CG . 19328 1 17 . 1 1 3 3 MET N N 15 121.1 0.2 . 1 . . . A 3 MET N . 19328 1 18 . 1 1 4 4 CYS H H 1 9.80 0.02 . 1 . . . A 4 CYS H . 19328 1 19 . 1 1 4 4 CYS HA H 1 5.23 0.02 . 1 . . . A 4 CYS HA . 19328 1 20 . 1 1 4 4 CYS HB2 H 1 1.85 0.02 . 2 . . . A 4 CYS HB2 . 19328 1 21 . 1 1 4 4 CYS HB3 H 1 3.48 0.02 . 2 . . . A 4 CYS HB3 . 19328 1 22 . 1 1 4 4 CYS CA C 13 57.0 0.2 . 1 . . . A 4 CYS CA . 19328 1 23 . 1 1 4 4 CYS CB C 13 30.2 0.2 . 1 . . . A 4 CYS CB . 19328 1 24 . 1 1 4 4 CYS N N 15 129.8 0.2 . 1 . . . A 4 CYS N . 19328 1 25 . 1 1 5 5 PRO HA H 1 4.78 0.02 . 1 . . . A 5 PRO HA . 19328 1 26 . 1 1 5 5 PRO HB2 H 1 2.23 0.02 . 2 . . . A 5 PRO HB2 . 19328 1 27 . 1 1 5 5 PRO HB3 H 1 2.05 0.02 . 2 . . . A 5 PRO HB3 . 19328 1 28 . 1 1 5 5 PRO HG2 H 1 1.14 0.02 . 2 . . . A 5 PRO HG2 . 19328 1 29 . 1 1 5 5 PRO HG3 H 1 1.67 0.02 . 2 . . . A 5 PRO HG3 . 19328 1 30 . 1 1 5 5 PRO HD2 H 1 3.03 0.02 . 2 . . . A 5 PRO HD2 . 19328 1 31 . 1 1 5 5 PRO HD3 H 1 3.83 0.02 . 2 . . . A 5 PRO HD3 . 19328 1 32 . 1 1 5 5 PRO C C 13 176.8 0.2 . 1 . . . A 5 PRO C . 19328 1 33 . 1 1 5 5 PRO CA C 13 63.3 0.2 . 1 . . . A 5 PRO CA . 19328 1 34 . 1 1 5 5 PRO CB C 13 30.1 0.2 . 1 . . . A 5 PRO CB . 19328 1 35 . 1 1 5 5 PRO CG C 13 26.9 0.2 . 1 . . . A 5 PRO CG . 19328 1 36 . 1 1 5 5 PRO CD C 13 50.8 0.2 . 1 . . . A 5 PRO CD . 19328 1 37 . 1 1 6 6 ALA H H 1 8.55 0.02 . 1 . . . A 6 ALA H . 19328 1 38 . 1 1 6 6 ALA HA H 1 4.48 0.02 . 1 . . . A 6 ALA HA . 19328 1 39 . 1 1 6 6 ALA HB1 H 1 1.53 0.02 . 1 . . . A 6 ALA HB1 . 19328 1 40 . 1 1 6 6 ALA HB2 H 1 1.53 0.02 . 1 . . . A 6 ALA HB2 . 19328 1 41 . 1 1 6 6 ALA HB3 H 1 1.53 0.02 . 1 . . . A 6 ALA HB3 . 19328 1 42 . 1 1 6 6 ALA C C 13 176.8 0.2 . 1 . . . A 6 ALA C . 19328 1 43 . 1 1 6 6 ALA CA C 13 53.3 0.2 . 1 . . . A 6 ALA CA . 19328 1 44 . 1 1 6 6 ALA CB C 13 20.2 0.2 . 1 . . . A 6 ALA CB . 19328 1 45 . 1 1 6 6 ALA N N 15 125.2 0.2 . 1 . . . A 6 ALA N . 19328 1 46 . 1 1 7 7 VAL H H 1 8.53 0.02 . 1 . . . A 7 VAL H . 19328 1 47 . 1 1 7 7 VAL HA H 1 3.73 0.02 . 1 . . . A 7 VAL HA . 19328 1 48 . 1 1 7 7 VAL HB H 1 2.06 0.02 . 1 . . . A 7 VAL HB . 19328 1 49 . 1 1 7 7 VAL HG11 H 1 1.04 0.02 . 2 . . . A 7 VAL HG11 . 19328 1 50 . 1 1 7 7 VAL HG12 H 1 1.04 0.02 . 2 . . . A 7 VAL HG12 . 19328 1 51 . 1 1 7 7 VAL HG13 H 1 1.04 0.02 . 2 . . . A 7 VAL HG13 . 19328 1 52 . 1 1 7 7 VAL HG21 H 1 1.16 0.02 . 2 . . . A 7 VAL HG21 . 19328 1 53 . 1 1 7 7 VAL HG22 H 1 1.16 0.02 . 2 . . . A 7 VAL HG22 . 19328 1 54 . 1 1 7 7 VAL HG23 H 1 1.16 0.02 . 2 . . . A 7 VAL HG23 . 19328 1 55 . 1 1 7 7 VAL C C 13 177.6 0.2 . 1 . . . A 7 VAL C . 19328 1 56 . 1 1 7 7 VAL CA C 13 66.3 0.2 . 1 . . . A 7 VAL CA . 19328 1 57 . 1 1 7 7 VAL CB C 13 31.3 0.2 . 1 . . . A 7 VAL CB . 19328 1 58 . 1 1 7 7 VAL CG1 C 13 20.8 0.2 . 2 . . . A 7 VAL CG1 . 19328 1 59 . 1 1 7 7 VAL CG2 C 13 22.2 0.2 . 2 . . . A 7 VAL CG2 . 19328 1 60 . 1 1 7 7 VAL N N 15 121.5 0.2 . 1 . . . A 7 VAL N . 19328 1 61 . 1 1 8 8 SER H H 1 7.89 0.02 . 1 . . . A 8 SER H . 19328 1 62 . 1 1 8 8 SER HA H 1 4.55 0.02 . 1 . . . A 8 SER HA . 19328 1 63 . 1 1 8 8 SER HB2 H 1 3.72 0.02 . 2 . . . A 8 SER HB2 . 19328 1 64 . 1 1 8 8 SER HB3 H 1 3.83 0.02 . 2 . . . A 8 SER HB3 . 19328 1 65 . 1 1 8 8 SER C C 13 172.9 0.2 . 1 . . . A 8 SER C . 19328 1 66 . 1 1 8 8 SER CA C 13 56.7 0.2 . 1 . . . A 8 SER CA . 19328 1 67 . 1 1 8 8 SER CB C 13 63.3 0.2 . 1 . . . A 8 SER CB . 19328 1 68 . 1 1 8 8 SER N N 15 113.2 0.2 . 1 . . . A 8 SER N . 19328 1 69 . 1 1 9 9 CYS H H 1 8.31 0.02 . 1 . . . A 9 CYS H . 19328 1 70 . 1 1 9 9 CYS HA H 1 5.26 0.02 . 1 . . . A 9 CYS HA . 19328 1 71 . 1 1 9 9 CYS HB2 H 1 3.41 0.02 . 2 . . . A 9 CYS HB2 . 19328 1 72 . 1 1 9 9 CYS HB3 H 1 3.02 0.02 . 2 . . . A 9 CYS HB3 . 19328 1 73 . 1 1 9 9 CYS C C 13 177.3 0.2 . 1 . . . A 9 CYS C . 19328 1 74 . 1 1 9 9 CYS CA C 13 58.2 0.2 . 1 . . . A 9 CYS CA . 19328 1 75 . 1 1 9 9 CYS CB C 13 29.6 0.2 . 1 . . . A 9 CYS CB . 19328 1 76 . 1 1 9 9 CYS N N 15 126.0 0.2 . 1 . . . A 9 CYS N . 19328 1 77 . 1 1 10 10 LEU H H 1 10.17 0.02 . 1 . . . A 10 LEU H . 19328 1 78 . 1 1 10 10 LEU HA H 1 4.18 0.02 . 1 . . . A 10 LEU HA . 19328 1 79 . 1 1 10 10 LEU HB2 H 1 1.65 0.02 . 2 . . . A 10 LEU HB2 . 19328 1 80 . 1 1 10 10 LEU HB3 H 1 1.57 0.02 . 2 . . . A 10 LEU HB3 . 19328 1 81 . 1 1 10 10 LEU HG H 1 1.91 0.02 . 1 . . . A 10 LEU HG . 19328 1 82 . 1 1 10 10 LEU HD11 H 1 0.88 0.02 . 2 . . . A 10 LEU HD11 . 19328 1 83 . 1 1 10 10 LEU HD12 H 1 0.88 0.02 . 2 . . . A 10 LEU HD12 . 19328 1 84 . 1 1 10 10 LEU HD13 H 1 0.88 0.02 . 2 . . . A 10 LEU HD13 . 19328 1 85 . 1 1 10 10 LEU HD21 H 1 0.85 0.02 . 2 . . . A 10 LEU HD21 . 19328 1 86 . 1 1 10 10 LEU HD22 H 1 0.85 0.02 . 2 . . . A 10 LEU HD22 . 19328 1 87 . 1 1 10 10 LEU HD23 H 1 0.85 0.02 . 2 . . . A 10 LEU HD23 . 19328 1 88 . 1 1 10 10 LEU C C 13 176.3 0.2 . 1 . . . A 10 LEU C . 19328 1 89 . 1 1 10 10 LEU CA C 13 55.9 0.2 . 1 . . . A 10 LEU CA . 19328 1 90 . 1 1 10 10 LEU CB C 13 41.5 0.2 . 1 . . . A 10 LEU CB . 19328 1 91 . 1 1 10 10 LEU CG C 13 27.1 0.2 . 1 . . . A 10 LEU CG . 19328 1 92 . 1 1 10 10 LEU CD1 C 13 25.5 0.2 . 2 . . . A 10 LEU CD1 . 19328 1 93 . 1 1 10 10 LEU CD2 C 13 22.3 0.2 . 2 . . . A 10 LEU CD2 . 19328 1 94 . 1 1 10 10 LEU N N 15 135.7 0.2 . 1 . . . A 10 LEU N . 19328 1 95 . 1 1 11 11 GLN H H 1 9.85 0.02 . 1 . . . A 11 GLN H . 19328 1 96 . 1 1 11 11 GLN HA H 1 3.87 0.02 . 1 . . . A 11 GLN HA . 19328 1 97 . 1 1 11 11 GLN HB2 H 1 2.07 0.02 . 2 . . . A 11 GLN HB2 . 19328 1 98 . 1 1 11 11 GLN HB3 H 1 2.10 0.02 . 2 . . . A 11 GLN HB3 . 19328 1 99 . 1 1 11 11 GLN HG2 H 1 2.24 0.02 . 2 . . . A 11 GLN HG2 . 19328 1 100 . 1 1 11 11 GLN HG3 H 1 2.33 0.02 . 2 . . . A 11 GLN HG3 . 19328 1 101 . 1 1 11 11 GLN HE21 H 1 7.63 0.02 . 2 . . . A 11 GLN HE21 . 19328 1 102 . 1 1 11 11 GLN HE22 H 1 6.83 0.02 . 2 . . . A 11 GLN HE22 . 19328 1 103 . 1 1 11 11 GLN CA C 13 55.4 0.2 . 1 . . . A 11 GLN CA . 19328 1 104 . 1 1 11 11 GLN CB C 13 28.1 0.2 . 1 . . . A 11 GLN CB . 19328 1 105 . 1 1 11 11 GLN CG C 13 35.4 0.2 . 1 . . . A 11 GLN CG . 19328 1 106 . 1 1 11 11 GLN N N 15 120.1 0.2 . 1 . . . A 11 GLN N . 19328 1 107 . 1 1 11 11 GLN NE2 N 15 111.9 0.2 . 1 . . . A 11 GLN NE2 . 19328 1 108 . 1 1 12 12 PRO HA H 1 4.23 0.02 . 1 . . . A 12 PRO HA . 19328 1 109 . 1 1 12 12 PRO HB2 H 1 1.67 0.02 . 2 . . . A 12 PRO HB2 . 19328 1 110 . 1 1 12 12 PRO HB3 H 1 1.89 0.02 . 2 . . . A 12 PRO HB3 . 19328 1 111 . 1 1 12 12 PRO HG2 H 1 0.98 0.02 . 2 . . . A 12 PRO HG2 . 19328 1 112 . 1 1 12 12 PRO HG3 H 1 1.14 0.02 . 2 . . . A 12 PRO HG3 . 19328 1 113 . 1 1 12 12 PRO HD2 H 1 2.56 0.02 . 2 . . . A 12 PRO HD2 . 19328 1 114 . 1 1 12 12 PRO HD3 H 1 2.86 0.02 . 2 . . . A 12 PRO HD3 . 19328 1 115 . 1 1 12 12 PRO C C 13 176.7 0.2 . 1 . . . A 12 PRO C . 19328 1 116 . 1 1 12 12 PRO CA C 13 62.7 0.2 . 1 . . . A 12 PRO CA . 19328 1 117 . 1 1 12 12 PRO CB C 13 31.3 0.2 . 1 . . . A 12 PRO CB . 19328 1 118 . 1 1 12 12 PRO CG C 13 27.0 0.2 . 1 . . . A 12 PRO CG . 19328 1 119 . 1 1 12 12 PRO CD C 13 51.0 0.2 . 1 . . . A 12 PRO CD . 19328 1 120 . 1 1 13 13 GLU H H 1 8.39 0.02 . 1 . . . A 13 GLU H . 19328 1 121 . 1 1 13 13 GLU HA H 1 4.34 0.02 . 1 . . . A 13 GLU HA . 19328 1 122 . 1 1 13 13 GLU HB2 H 1 2.01 0.02 . 2 . . . A 13 GLU HB2 . 19328 1 123 . 1 1 13 13 GLU HB3 H 1 1.88 0.02 . 2 . . . A 13 GLU HB3 . 19328 1 124 . 1 1 13 13 GLU HG2 H 1 2.22 0.02 . 2 . . . A 13 GLU HG2 . 19328 1 125 . 1 1 13 13 GLU HG3 H 1 2.30 0.02 . 2 . . . A 13 GLU HG3 . 19328 1 126 . 1 1 13 13 GLU C C 13 176.7 0.2 . 1 . . . A 13 GLU C . 19328 1 127 . 1 1 13 13 GLU CA C 13 55.6 0.2 . 1 . . . A 13 GLU CA . 19328 1 128 . 1 1 13 13 GLU CB C 13 32.1 0.2 . 1 . . . A 13 GLU CB . 19328 1 129 . 1 1 13 13 GLU CG C 13 36.0 0.2 . 1 . . . A 13 GLU CG . 19328 1 130 . 1 1 13 13 GLU N N 15 120.8 0.2 . 1 . . . A 13 GLU N . 19328 1 131 . 1 1 14 14 GLY H H 1 8.36 0.02 . 1 . . . A 14 GLY H . 19328 1 132 . 1 1 14 14 GLY HA2 H 1 3.83 0.02 . 2 . . . A 14 GLY HA2 . 19328 1 133 . 1 1 14 14 GLY HA3 H 1 4.33 0.02 . 2 . . . A 14 GLY HA3 . 19328 1 134 . 1 1 14 14 GLY C C 13 174.1 0.2 . 1 . . . A 14 GLY C . 19328 1 135 . 1 1 14 14 GLY CA C 13 44.8 0.2 . 1 . . . A 14 GLY CA . 19328 1 136 . 1 1 14 14 GLY N N 15 109.0 0.2 . 1 . . . A 14 GLY N . 19328 1 137 . 1 1 15 15 ASP H H 1 8.51 0.02 . 1 . . . A 15 ASP H . 19328 1 138 . 1 1 15 15 ASP HA H 1 4.68 0.02 . 1 . . . A 15 ASP HA . 19328 1 139 . 1 1 15 15 ASP HB2 H 1 2.81 0.02 . 2 . . . A 15 ASP HB2 . 19328 1 140 . 1 1 15 15 ASP HB3 H 1 2.61 0.02 . 2 . . . A 15 ASP HB3 . 19328 1 141 . 1 1 15 15 ASP C C 13 177.0 0.2 . 1 . . . A 15 ASP C . 19328 1 142 . 1 1 15 15 ASP CA C 13 55.5 0.2 . 1 . . . A 15 ASP CA . 19328 1 143 . 1 1 15 15 ASP CB C 13 41.4 0.2 . 1 . . . A 15 ASP CB . 19328 1 144 . 1 1 15 15 ASP N N 15 118.8 0.2 . 1 . . . A 15 ASP N . 19328 1 145 . 1 1 16 16 GLU H H 1 8.39 0.02 . 1 . . . A 16 GLU H . 19328 1 146 . 1 1 16 16 GLU HA H 1 4.56 0.02 . 1 . . . A 16 GLU HA . 19328 1 147 . 1 1 16 16 GLU HB2 H 1 2.12 0.02 . 2 . . . A 16 GLU HB2 . 19328 1 148 . 1 1 16 16 GLU HB3 H 1 1.90 0.02 . 2 . . . A 16 GLU HB3 . 19328 1 149 . 1 1 16 16 GLU HG2 H 1 2.22 0.02 . 2 . . . A 16 GLU HG2 . 19328 1 150 . 1 1 16 16 GLU HG3 H 1 2.22 0.02 . 2 . . . A 16 GLU HG3 . 19328 1 151 . 1 1 16 16 GLU C C 13 175.4 0.2 . 1 . . . A 16 GLU C . 19328 1 152 . 1 1 16 16 GLU CA C 13 55.6 0.2 . 1 . . . A 16 GLU CA . 19328 1 153 . 1 1 16 16 GLU CB C 13 29.2 0.2 . 1 . . . A 16 GLU CB . 19328 1 154 . 1 1 16 16 GLU CG C 13 36.0 0.2 . 1 . . . A 16 GLU CG . 19328 1 155 . 1 1 16 16 GLU N N 15 120.1 0.2 . 1 . . . A 16 GLU N . 19328 1 156 . 1 1 17 17 VAL H H 1 7.51 0.02 . 1 . . . A 17 VAL H . 19328 1 157 . 1 1 17 17 VAL HA H 1 3.96 0.02 . 1 . . . A 17 VAL HA . 19328 1 158 . 1 1 17 17 VAL HB H 1 1.90 0.02 . 1 . . . A 17 VAL HB . 19328 1 159 . 1 1 17 17 VAL HG11 H 1 0.531 0.02 . 2 . . . A 17 VAL HG11 . 19328 1 160 . 1 1 17 17 VAL HG12 H 1 0.531 0.02 . 2 . . . A 17 VAL HG12 . 19328 1 161 . 1 1 17 17 VAL HG13 H 1 0.531 0.02 . 2 . . . A 17 VAL HG13 . 19328 1 162 . 1 1 17 17 VAL HG21 H 1 0.58 0.02 . 2 . . . A 17 VAL HG21 . 19328 1 163 . 1 1 17 17 VAL HG22 H 1 0.58 0.02 . 2 . . . A 17 VAL HG22 . 19328 1 164 . 1 1 17 17 VAL HG23 H 1 0.58 0.02 . 2 . . . A 17 VAL HG23 . 19328 1 165 . 1 1 17 17 VAL C C 13 174.5 0.2 . 1 . . . A 17 VAL C . 19328 1 166 . 1 1 17 17 VAL CA C 13 61.6 0.2 . 1 . . . A 17 VAL CA . 19328 1 167 . 1 1 17 17 VAL CB C 13 33.2 0.2 . 1 . . . A 17 VAL CB . 19328 1 168 . 1 1 17 17 VAL CG1 C 13 21.73 0.2 . 2 . . . A 17 VAL CG1 . 19328 1 169 . 1 1 17 17 VAL CG2 C 13 20.9 0.2 . 2 . . . A 17 VAL CG2 . 19328 1 170 . 1 1 17 17 VAL N N 15 120.1 0.2 . 1 . . . A 17 VAL N . 19328 1 171 . 1 1 18 18 ASP H H 1 7.87 0.02 . 1 . . . A 18 ASP H . 19328 1 172 . 1 1 18 18 ASP HA H 1 5.13 0.02 . 1 . . . A 18 ASP HA . 19328 1 173 . 1 1 18 18 ASP HB2 H 1 2.72 0.02 . 2 . . . A 18 ASP HB2 . 19328 1 174 . 1 1 18 18 ASP HB3 H 1 2.38 0.02 . 2 . . . A 18 ASP HB3 . 19328 1 175 . 1 1 18 18 ASP C C 13 176.9 0.2 . 1 . . . A 18 ASP C . 19328 1 176 . 1 1 18 18 ASP CA C 13 54.2 0.2 . 1 . . . A 18 ASP CA . 19328 1 177 . 1 1 18 18 ASP CB C 13 42.5 0.2 . 1 . . . A 18 ASP CB . 19328 1 178 . 1 1 18 18 ASP N N 15 122.7 0.2 . 1 . . . A 18 ASP N . 19328 1 179 . 1 1 19 19 TRP H H 1 9.53 0.02 . 1 . . . A 19 TRP H . 19328 1 180 . 1 1 19 19 TRP HA H 1 5.64 0.02 . 1 . . . A 19 TRP HA . 19328 1 181 . 1 1 19 19 TRP HB2 H 1 3.68 0.02 . 2 . . . A 19 TRP HB2 . 19328 1 182 . 1 1 19 19 TRP HB3 H 1 3.14 0.02 . 2 . . . A 19 TRP HB3 . 19328 1 183 . 1 1 19 19 TRP HD1 H 1 7.38 0.02 . 1 . . . A 19 TRP HD1 . 19328 1 184 . 1 1 19 19 TRP HE1 H 1 10.18 0.02 . 1 . . . A 19 TRP HE1 . 19328 1 185 . 1 1 19 19 TRP HE3 H 1 7.38 0.02 . 1 . . . A 19 TRP HE3 . 19328 1 186 . 1 1 19 19 TRP HZ2 H 1 7.40 0.02 . 1 . . . A 19 TRP HZ2 . 19328 1 187 . 1 1 19 19 TRP HZ3 H 1 6.48 0.02 . 1 . . . A 19 TRP HZ3 . 19328 1 188 . 1 1 19 19 TRP HH2 H 1 6.70 0.02 . 1 . . . A 19 TRP HH2 . 19328 1 189 . 1 1 19 19 TRP C C 13 176.2 0.2 . 1 . . . A 19 TRP C . 19328 1 190 . 1 1 19 19 TRP CA C 13 57.3 0.2 . 1 . . . A 19 TRP CA . 19328 1 191 . 1 1 19 19 TRP CB C 13 34.1 0.2 . 1 . . . A 19 TRP CB . 19328 1 192 . 1 1 19 19 TRP CD1 C 13 128.6 0.2 . 1 . . . A 19 TRP CD1 . 19328 1 193 . 1 1 19 19 TRP CE3 C 13 120.0 0.2 . 1 . . . A 19 TRP CE3 . 19328 1 194 . 1 1 19 19 TRP CZ2 C 13 114.1 0.2 . 1 . . . A 19 TRP CZ2 . 19328 1 195 . 1 1 19 19 TRP CZ3 C 13 121.5 0.2 . 1 . . . A 19 TRP CZ3 . 19328 1 196 . 1 1 19 19 TRP CH2 C 13 124.3 0.2 . 1 . . . A 19 TRP CH2 . 19328 1 197 . 1 1 19 19 TRP N N 15 124.2 0.2 . 1 . . . A 19 TRP N . 19328 1 198 . 1 1 19 19 TRP NE1 N 15 130.6 0.2 . 1 . . . A 19 TRP NE1 . 19328 1 199 . 1 1 20 20 VAL H H 1 10.26 0.02 . 1 . . . A 20 VAL H . 19328 1 200 . 1 1 20 20 VAL HA H 1 4.80 0.02 . 1 . . . A 20 VAL HA . 19328 1 201 . 1 1 20 20 VAL HB H 1 1.87 0.02 . 1 . . . A 20 VAL HB . 19328 1 202 . 1 1 20 20 VAL HG11 H 1 0.46 0.02 . 2 . . . A 20 VAL HG11 . 19328 1 203 . 1 1 20 20 VAL HG12 H 1 0.46 0.02 . 2 . . . A 20 VAL HG12 . 19328 1 204 . 1 1 20 20 VAL HG13 H 1 0.46 0.02 . 2 . . . A 20 VAL HG13 . 19328 1 205 . 1 1 20 20 VAL HG21 H 1 0.97 0.02 . 2 . . . A 20 VAL HG21 . 19328 1 206 . 1 1 20 20 VAL HG22 H 1 0.97 0.02 . 2 . . . A 20 VAL HG22 . 19328 1 207 . 1 1 20 20 VAL HG23 H 1 0.97 0.02 . 2 . . . A 20 VAL HG23 . 19328 1 208 . 1 1 20 20 VAL C C 13 170.8 0.2 . 1 . . . A 20 VAL C . 19328 1 209 . 1 1 20 20 VAL CA C 13 60.6 0.2 . 1 . . . A 20 VAL CA . 19328 1 210 . 1 1 20 20 VAL CB C 13 35.3 0.2 . 1 . . . A 20 VAL CB . 19328 1 211 . 1 1 20 20 VAL CG1 C 13 18.9 0.2 . 2 . . . A 20 VAL CG1 . 19328 1 212 . 1 1 20 20 VAL CG2 C 13 22.1 0.2 . 2 . . . A 20 VAL CG2 . 19328 1 213 . 1 1 20 20 VAL N N 15 121.5 0.2 . 1 . . . A 20 VAL N . 19328 1 214 . 1 1 21 21 GLN H H 1 8.52 0.02 . 1 . . . A 21 GLN H . 19328 1 215 . 1 1 21 21 GLN HA H 1 4.48 0.02 . 1 . . . A 21 GLN HA . 19328 1 216 . 1 1 21 21 GLN HB2 H 1 1.21 0.02 . 2 . . . A 21 GLN HB2 . 19328 1 217 . 1 1 21 21 GLN HB3 H 1 -0.75 0.02 . 2 . . . A 21 GLN HB3 . 19328 1 218 . 1 1 21 21 GLN HG2 H 1 0.58 0.02 . 2 . . . A 21 GLN HG2 . 19328 1 219 . 1 1 21 21 GLN HG3 H 1 1.84 0.02 . 2 . . . A 21 GLN HG3 . 19328 1 220 . 1 1 21 21 GLN HE21 H 1 6.65 0.02 . 2 . . . A 21 GLN HE21 . 19328 1 221 . 1 1 21 21 GLN HE22 H 1 6.55 0.02 . 2 . . . A 21 GLN HE22 . 19328 1 222 . 1 1 21 21 GLN C C 13 175.3 0.2 . 1 . . . A 21 GLN C . 19328 1 223 . 1 1 21 21 GLN CA C 13 53.6 0.2 . 1 . . . A 21 GLN CA . 19328 1 224 . 1 1 21 21 GLN CB C 13 28.3 0.2 . 1 . . . A 21 GLN CB . 19328 1 225 . 1 1 21 21 GLN CG C 13 32.7 0.2 . 1 . . . A 21 GLN CG . 19328 1 226 . 1 1 21 21 GLN CD C 13 179.8 0.2 . 1 . . . A 21 GLN CD . 19328 1 227 . 1 1 21 21 GLN N N 15 131.3 0.2 . 1 . . . A 21 GLN N . 19328 1 228 . 1 1 21 21 GLN NE2 N 15 109.4 0.2 . 1 . . . A 21 GLN NE2 . 19328 1 229 . 1 1 22 22 CYS H H 1 8.88 0.02 . 1 . . . A 22 CYS H . 19328 1 230 . 1 1 22 22 CYS HA H 1 4.50 0.02 . 1 . . . A 22 CYS HA . 19328 1 231 . 1 1 22 22 CYS HB2 H 1 3.29 0.02 . 2 . . . A 22 CYS HB2 . 19328 1 232 . 1 1 22 22 CYS HB3 H 1 3.05 0.02 . 2 . . . A 22 CYS HB3 . 19328 1 233 . 1 1 22 22 CYS C C 13 176.1 0.2 . 1 . . . A 22 CYS C . 19328 1 234 . 1 1 22 22 CYS CA C 13 60.6 0.2 . 1 . . . A 22 CYS CA . 19328 1 235 . 1 1 22 22 CYS CB C 13 31.3 0.2 . 1 . . . A 22 CYS CB . 19328 1 236 . 1 1 22 22 CYS N N 15 127.4 0.2 . 1 . . . A 22 CYS N . 19328 1 237 . 1 1 23 23 ASP H H 1 9.83 0.02 . 1 . . . A 23 ASP H . 19328 1 238 . 1 1 23 23 ASP HA H 1 4.81 0.02 . 1 . . . A 23 ASP HA . 19328 1 239 . 1 1 23 23 ASP HB2 H 1 2.37 0.02 . 2 . . . A 23 ASP HB2 . 19328 1 240 . 1 1 23 23 ASP HB3 H 1 2.81 0.02 . 2 . . . A 23 ASP HB3 . 19328 1 241 . 1 1 23 23 ASP C C 13 176.7 0.2 . 1 . . . A 23 ASP C . 19328 1 242 . 1 1 23 23 ASP CA C 13 55.3 0.2 . 1 . . . A 23 ASP CA . 19328 1 243 . 1 1 23 23 ASP CB C 13 41.3 0.2 . 1 . . . A 23 ASP CB . 19328 1 244 . 1 1 23 23 ASP N N 15 129.2 0.2 . 1 . . . A 23 ASP N . 19328 1 245 . 1 1 24 24 GLY H H 1 10.03 0.02 . 1 . . . A 24 GLY H . 19328 1 246 . 1 1 24 24 GLY HA2 H 1 3.71 0.02 . 2 . . . A 24 GLY HA2 . 19328 1 247 . 1 1 24 24 GLY HA3 H 1 4.31 0.02 . 2 . . . A 24 GLY HA3 . 19328 1 248 . 1 1 24 24 GLY C C 13 173.7 0.2 . 1 . . . A 24 GLY C . 19328 1 249 . 1 1 24 24 GLY CA C 13 43.7 0.2 . 1 . . . A 24 GLY CA . 19328 1 250 . 1 1 24 24 GLY N N 15 116.3 0.2 . 1 . . . A 24 GLY N . 19328 1 251 . 1 1 25 25 SER H H 1 8.86 0.02 . 1 . . . A 25 SER H . 19328 1 252 . 1 1 25 25 SER HA H 1 4.18 0.02 . 1 . . . A 25 SER HA . 19328 1 253 . 1 1 25 25 SER HB2 H 1 3.93 0.02 . 2 . . . A 25 SER HB2 . 19328 1 254 . 1 1 25 25 SER HB3 H 1 3.93 0.02 . 2 . . . A 25 SER HB3 . 19328 1 255 . 1 1 25 25 SER C C 13 176.6 0.2 . 1 . . . A 25 SER C . 19328 1 256 . 1 1 25 25 SER CA C 13 61.0 0.2 . 1 . . . A 25 SER CA . 19328 1 257 . 1 1 25 25 SER CB C 13 63.7 0.2 . 1 . . . A 25 SER CB . 19328 1 258 . 1 1 25 25 SER N N 15 116.5 0.2 . 1 . . . A 25 SER N . 19328 1 259 . 1 1 26 26 CYS H H 1 8.38 0.02 . 1 . . . A 26 CYS H . 19328 1 260 . 1 1 26 26 CYS HA H 1 4.40 0.02 . 1 . . . A 26 CYS HA . 19328 1 261 . 1 1 26 26 CYS HB2 H 1 3.20 0.02 . 2 . . . A 26 CYS HB2 . 19328 1 262 . 1 1 26 26 CYS HB3 H 1 2.79 0.02 . 2 . . . A 26 CYS HB3 . 19328 1 263 . 1 1 26 26 CYS C C 13 176.5 0.2 . 1 . . . A 26 CYS C . 19328 1 264 . 1 1 26 26 CYS CA C 13 60.8 0.2 . 1 . . . A 26 CYS CA . 19328 1 265 . 1 1 26 26 CYS CB C 13 29.6 0.2 . 1 . . . A 26 CYS CB . 19328 1 266 . 1 1 26 26 CYS N N 15 122.0 0.2 . 1 . . . A 26 CYS N . 19328 1 267 . 1 1 27 27 ASN H H 1 7.47 0.02 . 1 . . . A 27 ASN H . 19328 1 268 . 1 1 27 27 ASN HA H 1 4.82 0.02 . 1 . . . A 27 ASN HA . 19328 1 269 . 1 1 27 27 ASN HB2 H 1 2.71 0.02 . 2 . . . A 27 ASN HB2 . 19328 1 270 . 1 1 27 27 ASN HB3 H 1 3.07 0.02 . 2 . . . A 27 ASN HB3 . 19328 1 271 . 1 1 27 27 ASN HD21 H 1 7.55 0.02 . 2 . . . A 27 ASN HD21 . 19328 1 272 . 1 1 27 27 ASN HD22 H 1 6.78 0.02 . 2 . . . A 27 ASN HD22 . 19328 1 273 . 1 1 27 27 ASN C C 13 174.9 0.2 . 1 . . . A 27 ASN C . 19328 1 274 . 1 1 27 27 ASN CA C 13 54.8 0.2 . 1 . . . A 27 ASN CA . 19328 1 275 . 1 1 27 27 ASN CB C 13 39.5 0.2 . 1 . . . A 27 ASN CB . 19328 1 276 . 1 1 27 27 ASN CG C 13 177.7 0.2 . 1 . . . A 27 ASN CG . 19328 1 277 . 1 1 27 27 ASN N N 15 117.0 0.2 . 1 . . . A 27 ASN N . 19328 1 278 . 1 1 27 27 ASN ND2 N 15 111.5 0.2 . 1 . . . A 27 ASN ND2 . 19328 1 279 . 1 1 28 28 GLN H H 1 9.14 0.02 . 1 . . . A 28 GLN H . 19328 1 280 . 1 1 28 28 GLN HA H 1 4.36 0.02 . 1 . . . A 28 GLN HA . 19328 1 281 . 1 1 28 28 GLN HB2 H 1 2.38 0.02 . 2 . . . A 28 GLN HB2 . 19328 1 282 . 1 1 28 28 GLN HB3 H 1 1.75 0.02 . 2 . . . A 28 GLN HB3 . 19328 1 283 . 1 1 28 28 GLN HG2 H 1 2.56 0.02 . 2 . . . A 28 GLN HG2 . 19328 1 284 . 1 1 28 28 GLN HG3 H 1 2.24 0.02 . 2 . . . A 28 GLN HG3 . 19328 1 285 . 1 1 28 28 GLN HE21 H 1 7.91 0.02 . 2 . . . A 28 GLN HE21 . 19328 1 286 . 1 1 28 28 GLN HE22 H 1 6.94 0.02 . 2 . . . A 28 GLN HE22 . 19328 1 287 . 1 1 28 28 GLN C C 13 174.6 0.2 . 1 . . . A 28 GLN C . 19328 1 288 . 1 1 28 28 GLN CA C 13 57.1 0.2 . 1 . . . A 28 GLN CA . 19328 1 289 . 1 1 28 28 GLN CB C 13 31.5 0.2 . 1 . . . A 28 GLN CB . 19328 1 290 . 1 1 28 28 GLN CG C 13 35.8 0.2 . 1 . . . A 28 GLN CG . 19328 1 291 . 1 1 28 28 GLN CD C 13 180.6 0.2 . 1 . . . A 28 GLN CD . 19328 1 292 . 1 1 28 28 GLN N N 15 120.7 0.2 . 1 . . . A 28 GLN N . 19328 1 293 . 1 1 28 28 GLN NE2 N 15 112.4 0.2 . 1 . . . A 28 GLN NE2 . 19328 1 294 . 1 1 29 29 TRP H H 1 8.32 0.02 . 1 . . . A 29 TRP H . 19328 1 295 . 1 1 29 29 TRP HA H 1 4.95 0.02 . 1 . . . A 29 TRP HA . 19328 1 296 . 1 1 29 29 TRP HB2 H 1 3.07 0.02 . 2 . . . A 29 TRP HB2 . 19328 1 297 . 1 1 29 29 TRP HB3 H 1 2.75 0.02 . 2 . . . A 29 TRP HB3 . 19328 1 298 . 1 1 29 29 TRP HD1 H 1 7.22 0.02 . 1 . . . A 29 TRP HD1 . 19328 1 299 . 1 1 29 29 TRP HE1 H 1 10.05 0.02 . 1 . . . A 29 TRP HE1 . 19328 1 300 . 1 1 29 29 TRP HE3 H 1 7.41 0.02 . 1 . . . A 29 TRP HE3 . 19328 1 301 . 1 1 29 29 TRP HZ2 H 1 7.35 0.02 . 1 . . . A 29 TRP HZ2 . 19328 1 302 . 1 1 29 29 TRP HZ3 H 1 7.00 0.02 . 1 . . . A 29 TRP HZ3 . 19328 1 303 . 1 1 29 29 TRP HH2 H 1 7.20 0.02 . 1 . . . A 29 TRP HH2 . 19328 1 304 . 1 1 29 29 TRP C C 13 175.4 0.2 . 1 . . . A 29 TRP C . 19328 1 305 . 1 1 29 29 TRP CA C 13 57.1 0.2 . 1 . . . A 29 TRP CA . 19328 1 306 . 1 1 29 29 TRP CB C 13 30.5 0.2 . 1 . . . A 29 TRP CB . 19328 1 307 . 1 1 29 29 TRP CD1 C 13 127.1 0.2 . 1 . . . A 29 TRP CD1 . 19328 1 308 . 1 1 29 29 TRP CE3 C 13 119.5 0.2 . 1 . . . A 29 TRP CE3 . 19328 1 309 . 1 1 29 29 TRP CZ2 C 13 115.4 0.2 . 1 . . . A 29 TRP CZ2 . 19328 1 310 . 1 1 29 29 TRP CZ3 C 13 121.8 0.2 . 1 . . . A 29 TRP CZ3 . 19328 1 311 . 1 1 29 29 TRP CH2 C 13 124.7 0.2 . 1 . . . A 29 TRP CH2 . 19328 1 312 . 1 1 29 29 TRP N N 15 119.6 0.2 . 1 . . . A 29 TRP N . 19328 1 313 . 1 1 29 29 TRP NE1 N 15 130.1 0.2 . 1 . . . A 29 TRP NE1 . 19328 1 314 . 1 1 30 30 PHE H H 1 9.78 0.02 . 1 . . . A 30 PHE H . 19328 1 315 . 1 1 30 30 PHE HA H 1 4.83 0.02 . 1 . . . A 30 PHE HA . 19328 1 316 . 1 1 30 30 PHE HB2 H 1 3.03 0.02 . 2 . . . A 30 PHE HB2 . 19328 1 317 . 1 1 30 30 PHE HB3 H 1 2.71 0.02 . 2 . . . A 30 PHE HB3 . 19328 1 318 . 1 1 30 30 PHE HD1 H 1 7.37 0.02 . 3 . . . A 30 PHE HD1 . 19328 1 319 . 1 1 30 30 PHE HD2 H 1 7.37 0.02 . 3 . . . A 30 PHE HD2 . 19328 1 320 . 1 1 30 30 PHE HE1 H 1 7.19 0.02 . 3 . . . A 30 PHE HE1 . 19328 1 321 . 1 1 30 30 PHE HE2 H 1 7.19 0.02 . 3 . . . A 30 PHE HE2 . 19328 1 322 . 1 1 30 30 PHE HZ H 1 7.67 0.02 . 1 . . . A 30 PHE HZ . 19328 1 323 . 1 1 30 30 PHE C C 13 176.6 0.2 . 1 . . . A 30 PHE C . 19328 1 324 . 1 1 30 30 PHE CA C 13 56.4 0.2 . 1 . . . A 30 PHE CA . 19328 1 325 . 1 1 30 30 PHE CB C 13 43.0 0.2 . 1 . . . A 30 PHE CB . 19328 1 326 . 1 1 30 30 PHE CD1 C 13 132.8 0.2 . 3 . . . A 30 PHE CD1 . 19328 1 327 . 1 1 30 30 PHE CD2 C 13 132.8 0.2 . 3 . . . A 30 PHE CD2 . 19328 1 328 . 1 1 30 30 PHE CE1 C 13 131.1 0.2 . 3 . . . A 30 PHE CE1 . 19328 1 329 . 1 1 30 30 PHE CE2 C 13 131.1 0.2 . 3 . . . A 30 PHE CE2 . 19328 1 330 . 1 1 30 30 PHE CZ C 13 130.2 0.2 . 1 . . . A 30 PHE CZ . 19328 1 331 . 1 1 30 30 PHE N N 15 119.6 0.2 . 1 . . . A 30 PHE N . 19328 1 332 . 1 1 31 31 HIS H H 1 9.05 0.02 . 1 . . . A 31 HIS H . 19328 1 333 . 1 1 31 31 HIS HA H 1 4.23 0.02 . 1 . . . A 31 HIS HA . 19328 1 334 . 1 1 31 31 HIS HB2 H 1 2.99 0.02 . 2 . . . A 31 HIS HB2 . 19328 1 335 . 1 1 31 31 HIS HB3 H 1 4.53 0.02 . 2 . . . A 31 HIS HB3 . 19328 1 336 . 1 1 31 31 HIS HE1 H 1 7.92 0.02 . 1 . . . A 31 HIS HE1 . 19328 1 337 . 1 1 31 31 HIS C C 13 177.4 0.2 . 1 . . . A 31 HIS C . 19328 1 338 . 1 1 31 31 HIS CA C 13 57.1 0.2 . 1 . . . A 31 HIS CA . 19328 1 339 . 1 1 31 31 HIS CB C 13 29.8 0.2 . 1 . . . A 31 HIS CB . 19328 1 340 . 1 1 31 31 HIS CE1 C 13 138.1 0.2 . 1 . . . A 31 HIS CE1 . 19328 1 341 . 1 1 31 31 HIS N N 15 123.6 0.2 . 1 . . . A 31 HIS N . 19328 1 342 . 1 1 32 32 GLN H H 1 8.40 0.02 . 1 . . . A 32 GLN H . 19328 1 343 . 1 1 32 32 GLN HA H 1 3.52 0.02 . 1 . . . A 32 GLN HA . 19328 1 344 . 1 1 32 32 GLN HB2 H 1 2.47 0.02 . 2 . . . A 32 GLN HB2 . 19328 1 345 . 1 1 32 32 GLN HB3 H 1 1.63 0.02 . 2 . . . A 32 GLN HB3 . 19328 1 346 . 1 1 32 32 GLN HG2 H 1 1.73 0.02 . 2 . . . A 32 GLN HG2 . 19328 1 347 . 1 1 32 32 GLN HG3 H 1 1.85 0.02 . 2 . . . A 32 GLN HG3 . 19328 1 348 . 1 1 32 32 GLN HE21 H 1 6.77 0.02 . 2 . . . A 32 GLN HE21 . 19328 1 349 . 1 1 32 32 GLN HE22 H 1 6.75 0.02 . 2 . . . A 32 GLN HE22 . 19328 1 350 . 1 1 32 32 GLN C C 13 179.1 0.2 . 1 . . . A 32 GLN C . 19328 1 351 . 1 1 32 32 GLN CA C 13 60.6 0.2 . 1 . . . A 32 GLN CA . 19328 1 352 . 1 1 32 32 GLN CB C 13 26.9 0.2 . 1 . . . A 32 GLN CB . 19328 1 353 . 1 1 32 32 GLN CG C 13 35.0 0.2 . 1 . . . A 32 GLN CG . 19328 1 354 . 1 1 32 32 GLN N N 15 124.1 0.2 . 1 . . . A 32 GLN N . 19328 1 355 . 1 1 32 32 GLN NE2 N 15 106.8 0.2 . 1 . . . A 32 GLN NE2 . 19328 1 356 . 1 1 33 33 VAL H H 1 8.83 0.02 . 1 . . . A 33 VAL H . 19328 1 357 . 1 1 33 33 VAL HA H 1 4.07 0.02 . 1 . . . A 33 VAL HA . 19328 1 358 . 1 1 33 33 VAL HB H 1 2.15 0.02 . 1 . . . A 33 VAL HB . 19328 1 359 . 1 1 33 33 VAL HG11 H 1 1.03 0.02 . 2 . . . A 33 VAL HG11 . 19328 1 360 . 1 1 33 33 VAL HG12 H 1 1.03 0.02 . 2 . . . A 33 VAL HG12 . 19328 1 361 . 1 1 33 33 VAL HG13 H 1 1.03 0.02 . 2 . . . A 33 VAL HG13 . 19328 1 362 . 1 1 33 33 VAL HG21 H 1 1.04 0.02 . 2 . . . A 33 VAL HG21 . 19328 1 363 . 1 1 33 33 VAL HG22 H 1 1.04 0.02 . 2 . . . A 33 VAL HG22 . 19328 1 364 . 1 1 33 33 VAL HG23 H 1 1.04 0.02 . 2 . . . A 33 VAL HG23 . 19328 1 365 . 1 1 33 33 VAL C C 13 178.2 0.2 . 1 . . . A 33 VAL C . 19328 1 366 . 1 1 33 33 VAL CA C 13 64.4 0.2 . 1 . . . A 33 VAL CA . 19328 1 367 . 1 1 33 33 VAL CB C 13 31.6 0.2 . 1 . . . A 33 VAL CB . 19328 1 368 . 1 1 33 33 VAL CG1 C 13 20.93 0.2 . 2 . . . A 33 VAL CG1 . 19328 1 369 . 1 1 33 33 VAL CG2 C 13 19.9 0.2 . 2 . . . A 33 VAL CG2 . 19328 1 370 . 1 1 33 33 VAL N N 15 112.8 0.2 . 1 . . . A 33 VAL N . 19328 1 371 . 1 1 34 34 CYS H H 1 6.90 0.02 . 1 . . . A 34 CYS H . 19328 1 372 . 1 1 34 34 CYS HA H 1 4.08 0.02 . 1 . . . A 34 CYS HA . 19328 1 373 . 1 1 34 34 CYS HB2 H 1 3.16 0.02 . 2 . . . A 34 CYS HB2 . 19328 1 374 . 1 1 34 34 CYS HB3 H 1 3.12 0.02 . 2 . . . A 34 CYS HB3 . 19328 1 375 . 1 1 34 34 CYS C C 13 177.1 0.2 . 1 . . . A 34 CYS C . 19328 1 376 . 1 1 34 34 CYS CA C 13 62.5 0.2 . 1 . . . A 34 CYS CA . 19328 1 377 . 1 1 34 34 CYS CB C 13 29.5 0.2 . 1 . . . A 34 CYS CB . 19328 1 378 . 1 1 34 34 CYS N N 15 120.9 0.2 . 1 . . . A 34 CYS N . 19328 1 379 . 1 1 35 35 VAL H H 1 7.13 0.02 . 1 . . . A 35 VAL H . 19328 1 380 . 1 1 35 35 VAL HA H 1 4.56 0.02 . 1 . . . A 35 VAL HA . 19328 1 381 . 1 1 35 35 VAL HB H 1 2.37 0.02 . 1 . . . A 35 VAL HB . 19328 1 382 . 1 1 35 35 VAL HG11 H 1 0.73 0.02 . 2 . . . A 35 VAL HG11 . 19328 1 383 . 1 1 35 35 VAL HG12 H 1 0.73 0.02 . 2 . . . A 35 VAL HG12 . 19328 1 384 . 1 1 35 35 VAL HG13 H 1 0.73 0.02 . 2 . . . A 35 VAL HG13 . 19328 1 385 . 1 1 35 35 VAL HG21 H 1 0.34 0.02 . 2 . . . A 35 VAL HG21 . 19328 1 386 . 1 1 35 35 VAL HG22 H 1 0.34 0.02 . 2 . . . A 35 VAL HG22 . 19328 1 387 . 1 1 35 35 VAL HG23 H 1 0.34 0.02 . 2 . . . A 35 VAL HG23 . 19328 1 388 . 1 1 35 35 VAL C C 13 176.2 0.2 . 1 . . . A 35 VAL C . 19328 1 389 . 1 1 35 35 VAL CA C 13 60.1 0.2 . 1 . . . A 35 VAL CA . 19328 1 390 . 1 1 35 35 VAL CB C 13 31.8 0.2 . 1 . . . A 35 VAL CB . 19328 1 391 . 1 1 35 35 VAL CG1 C 13 22.5 0.2 . 2 . . . A 35 VAL CG1 . 19328 1 392 . 1 1 35 35 VAL CG2 C 13 17.9 0.2 . 2 . . . A 35 VAL CG2 . 19328 1 393 . 1 1 35 35 VAL N N 15 106.5 0.2 . 1 . . . A 35 VAL N . 19328 1 394 . 1 1 36 36 GLY H H 1 7.53 0.02 . 1 . . . A 36 GLY H . 19328 1 395 . 1 1 36 36 GLY HA2 H 1 3.84 0.02 . 2 . . . A 36 GLY HA2 . 19328 1 396 . 1 1 36 36 GLY HA3 H 1 3.95 0.02 . 2 . . . A 36 GLY HA3 . 19328 1 397 . 1 1 36 36 GLY C C 13 174.6 0.2 . 1 . . . A 36 GLY C . 19328 1 398 . 1 1 36 36 GLY CA C 13 46.9 0.2 . 1 . . . A 36 GLY CA . 19328 1 399 . 1 1 36 36 GLY N N 15 109.8 0.2 . 1 . . . A 36 GLY N . 19328 1 400 . 1 1 37 37 VAL H H 1 7.50 0.02 . 1 . . . A 37 VAL H . 19328 1 401 . 1 1 37 37 VAL HA H 1 4.33 0.02 . 1 . . . A 37 VAL HA . 19328 1 402 . 1 1 37 37 VAL HB H 1 1.55 0.02 . 1 . . . A 37 VAL HB . 19328 1 403 . 1 1 37 37 VAL HG11 H 1 0.78 0.02 . 2 . . . A 37 VAL HG11 . 19328 1 404 . 1 1 37 37 VAL HG12 H 1 0.78 0.02 . 2 . . . A 37 VAL HG12 . 19328 1 405 . 1 1 37 37 VAL HG13 H 1 0.78 0.02 . 2 . . . A 37 VAL HG13 . 19328 1 406 . 1 1 37 37 VAL HG21 H 1 0.62 0.02 . 2 . . . A 37 VAL HG21 . 19328 1 407 . 1 1 37 37 VAL HG22 H 1 0.62 0.02 . 2 . . . A 37 VAL HG22 . 19328 1 408 . 1 1 37 37 VAL HG23 H 1 0.62 0.02 . 2 . . . A 37 VAL HG23 . 19328 1 409 . 1 1 37 37 VAL C C 13 174 0.2 . 1 . . . A 37 VAL C . 19328 1 410 . 1 1 37 37 VAL CA C 13 60.8 0.2 . 1 . . . A 37 VAL CA . 19328 1 411 . 1 1 37 37 VAL CB C 13 34.2 0.2 . 1 . . . A 37 VAL CB . 19328 1 412 . 1 1 37 37 VAL CG1 C 13 21.5 0.2 . 2 . . . A 37 VAL CG1 . 19328 1 413 . 1 1 37 37 VAL CG2 C 13 22.1 0.2 . 2 . . . A 37 VAL CG2 . 19328 1 414 . 1 1 37 37 VAL N N 15 119.0 0.2 . 1 . . . A 37 VAL N . 19328 1 415 . 1 1 38 38 SER H H 1 7.90 0.02 . 1 . . . A 38 SER H . 19328 1 416 . 1 1 38 38 SER HA H 1 4.90 0.02 . 1 . . . A 38 SER HA . 19328 1 417 . 1 1 38 38 SER HB2 H 1 3.92 0.02 . 2 . . . A 38 SER HB2 . 19328 1 418 . 1 1 38 38 SER HB3 H 1 4.26 0.02 . 2 . . . A 38 SER HB3 . 19328 1 419 . 1 1 38 38 SER C C 13 174.1 0.2 . 1 . . . A 38 SER C . 19328 1 420 . 1 1 38 38 SER CA C 13 55.5 0.2 . 1 . . . A 38 SER CA . 19328 1 421 . 1 1 38 38 SER CB C 13 63.8 0.2 . 1 . . . A 38 SER CB . 19328 1 422 . 1 1 38 38 SER N N 15 122.0 0.2 . 1 . . . A 38 SER N . 19328 1 423 . 1 1 39 39 PRO HA H 1 4.36 0.02 . 1 . . . A 39 PRO HA . 19328 1 424 . 1 1 39 39 PRO HB2 H 1 1.94 0.02 . 2 . . . A 39 PRO HB2 . 19328 1 425 . 1 1 39 39 PRO HB3 H 1 2.44 0.02 . 2 . . . A 39 PRO HB3 . 19328 1 426 . 1 1 39 39 PRO HG2 H 1 2.14 0.02 . 2 . . . A 39 PRO HG2 . 19328 1 427 . 1 1 39 39 PRO HG3 H 1 2.14 0.02 . 2 . . . A 39 PRO HG3 . 19328 1 428 . 1 1 39 39 PRO HD2 H 1 3.86 0.02 . 2 . . . A 39 PRO HD2 . 19328 1 429 . 1 1 39 39 PRO HD3 H 1 3.96 0.02 . 2 . . . A 39 PRO HD3 . 19328 1 430 . 1 1 39 39 PRO C C 13 179.3 0.2 . 1 . . . A 39 PRO C . 19328 1 431 . 1 1 39 39 PRO CA C 13 65.6 0.2 . 1 . . . A 39 PRO CA . 19328 1 432 . 1 1 39 39 PRO CB C 13 31.9 0.2 . 1 . . . A 39 PRO CB . 19328 1 433 . 1 1 39 39 PRO CG C 13 27.9 0.2 . 1 . . . A 39 PRO CG . 19328 1 434 . 1 1 39 39 PRO CD C 13 50.4 0.2 . 1 . . . A 39 PRO CD . 19328 1 435 . 1 1 40 40 GLU H H 1 8.49 0.02 . 1 . . . A 40 GLU H . 19328 1 436 . 1 1 40 40 GLU HA H 1 4.16 0.02 . 1 . . . A 40 GLU HA . 19328 1 437 . 1 1 40 40 GLU HB2 H 1 1.97 0.02 . 2 . . . A 40 GLU HB2 . 19328 1 438 . 1 1 40 40 GLU HB3 H 1 2.04 0.02 . 2 . . . A 40 GLU HB3 . 19328 1 439 . 1 1 40 40 GLU HG2 H 1 2.31 0.02 . 2 . . . A 40 GLU HG2 . 19328 1 440 . 1 1 40 40 GLU HG3 H 1 2.31 0.02 . 2 . . . A 40 GLU HG3 . 19328 1 441 . 1 1 40 40 GLU C C 13 178.5 0.2 . 1 . . . A 40 GLU C . 19328 1 442 . 1 1 40 40 GLU CA C 13 59.1 0.2 . 1 . . . A 40 GLU CA . 19328 1 443 . 1 1 40 40 GLU CB C 13 29.2 0.2 . 1 . . . A 40 GLU CB . 19328 1 444 . 1 1 40 40 GLU CG C 13 36.3 0.2 . 1 . . . A 40 GLU CG . 19328 1 445 . 1 1 40 40 GLU N N 15 116.6 0.2 . 1 . . . A 40 GLU N . 19328 1 446 . 1 1 41 41 MET H H 1 7.69 0.02 . 1 . . . A 41 MET H . 19328 1 447 . 1 1 41 41 MET HA H 1 4.26 0.02 . 1 . . . A 41 MET HA . 19328 1 448 . 1 1 41 41 MET HB2 H 1 2.21 0.02 . 2 . . . A 41 MET HB2 . 19328 1 449 . 1 1 41 41 MET HB3 H 1 2.21 0.02 . 2 . . . A 41 MET HB3 . 19328 1 450 . 1 1 41 41 MET HG2 H 1 2.67 0.02 . 2 . . . A 41 MET HG2 . 19328 1 451 . 1 1 41 41 MET HG3 H 1 2.55 0.02 . 2 . . . A 41 MET HG3 . 19328 1 452 . 1 1 41 41 MET HE1 H 1 2.18 0.02 . 1 . . . A 41 MET HE1 . 19328 1 453 . 1 1 41 41 MET HE2 H 1 2.18 0.02 . 1 . . . A 41 MET HE2 . 19328 1 454 . 1 1 41 41 MET HE3 H 1 2.18 0.02 . 1 . . . A 41 MET HE3 . 19328 1 455 . 1 1 41 41 MET C C 13 178.2 0.2 . 1 . . . A 41 MET C . 19328 1 456 . 1 1 41 41 MET CA C 13 57.3 0.2 . 1 . . . A 41 MET CA . 19328 1 457 . 1 1 41 41 MET CB C 13 33.4 0.2 . 1 . . . A 41 MET CB . 19328 1 458 . 1 1 41 41 MET CG C 13 32.1 0.2 . 1 . . . A 41 MET CG . 19328 1 459 . 1 1 41 41 MET N N 15 119.3 0.2 . 1 . . . A 41 MET N . 19328 1 460 . 1 1 42 42 ALA H H 1 8.27 0.02 . 1 . . . A 42 ALA H . 19328 1 461 . 1 1 42 42 ALA HA H 1 4.14 0.02 . 1 . . . A 42 ALA HA . 19328 1 462 . 1 1 42 42 ALA HB1 H 1 1.42 0.02 . 1 . . . A 42 ALA HB1 . 19328 1 463 . 1 1 42 42 ALA HB2 H 1 1.42 0.02 . 1 . . . A 42 ALA HB2 . 19328 1 464 . 1 1 42 42 ALA HB3 H 1 1.42 0.02 . 1 . . . A 42 ALA HB3 . 19328 1 465 . 1 1 42 42 ALA C C 13 179.1 0.2 . 1 . . . A 42 ALA C . 19328 1 466 . 1 1 42 42 ALA CA C 13 54.4 0.2 . 1 . . . A 42 ALA CA . 19328 1 467 . 1 1 42 42 ALA CB C 13 18.6 0.2 . 1 . . . A 42 ALA CB . 19328 1 468 . 1 1 42 42 ALA N N 15 121.9 0.2 . 1 . . . A 42 ALA N . 19328 1 469 . 1 1 43 43 GLU H H 1 7.80 0.02 . 1 . . . A 43 GLU H . 19328 1 470 . 1 1 43 43 GLU HA H 1 4.33 0.02 . 1 . . . A 43 GLU HA . 19328 1 471 . 1 1 43 43 GLU HB2 H 1 2.16 0.02 . 2 . . . A 43 GLU HB2 . 19328 1 472 . 1 1 43 43 GLU HB3 H 1 2.10 0.02 . 2 . . . A 43 GLU HB3 . 19328 1 473 . 1 1 43 43 GLU HG2 H 1 2.31 0.02 . 2 . . . A 43 GLU HG2 . 19328 1 474 . 1 1 43 43 GLU HG3 H 1 2.40 0.02 . 2 . . . A 43 GLU HG3 . 19328 1 475 . 1 1 43 43 GLU C C 13 177.6 0.2 . 1 . . . A 43 GLU C . 19328 1 476 . 1 1 43 43 GLU CA C 13 57.5 0.2 . 1 . . . A 43 GLU CA . 19328 1 477 . 1 1 43 43 GLU CB C 13 30.2 0.2 . 1 . . . A 43 GLU CB . 19328 1 478 . 1 1 43 43 GLU CG C 13 36.1 0.2 . 1 . . . A 43 GLU CG . 19328 1 479 . 1 1 43 43 GLU N N 15 115.1 0.2 . 1 . . . A 43 GLU N . 19328 1 480 . 1 1 44 44 LYS H H 1 7.77 0.02 . 1 . . . A 44 LYS H . 19328 1 481 . 1 1 44 44 LYS HA H 1 4.33 0.02 . 1 . . . A 44 LYS HA . 19328 1 482 . 1 1 44 44 LYS HB2 H 1 1.92 0.02 . 2 . . . A 44 LYS HB2 . 19328 1 483 . 1 1 44 44 LYS HB3 H 1 1.91 0.02 . 2 . . . A 44 LYS HB3 . 19328 1 484 . 1 1 44 44 LYS HG2 H 1 1.57 0.02 . 2 . . . A 44 LYS HG2 . 19328 1 485 . 1 1 44 44 LYS HG3 H 1 1.50 0.02 . 2 . . . A 44 LYS HG3 . 19328 1 486 . 1 1 44 44 LYS HD2 H 1 1.71 0.02 . 2 . . . A 44 LYS HD2 . 19328 1 487 . 1 1 44 44 LYS HD3 H 1 1.71 0.02 . 2 . . . A 44 LYS HD3 . 19328 1 488 . 1 1 44 44 LYS HE2 H 1 3.02 0.02 . 2 . . . A 44 LYS HE2 . 19328 1 489 . 1 1 44 44 LYS HE3 H 1 3.03 0.02 . 2 . . . A 44 LYS HE3 . 19328 1 490 . 1 1 44 44 LYS C C 13 176.2 0.2 . 1 . . . A 44 LYS C . 19328 1 491 . 1 1 44 44 LYS CA C 13 57.5 0.2 . 1 . . . A 44 LYS CA . 19328 1 492 . 1 1 44 44 LYS CB C 13 34.4 0.2 . 1 . . . A 44 LYS CB . 19328 1 493 . 1 1 44 44 LYS CG C 13 25.3 0.2 . 1 . . . A 44 LYS CG . 19328 1 494 . 1 1 44 44 LYS CD C 13 29.2 0.2 . 1 . . . A 44 LYS CD . 19328 1 495 . 1 1 44 44 LYS CE C 13 42.0 0.2 . 1 . . . A 44 LYS CE . 19328 1 496 . 1 1 44 44 LYS N N 15 117.6 0.2 . 1 . . . A 44 LYS N . 19328 1 497 . 1 1 45 45 GLU H H 1 8.10 0.02 . 1 . . . A 45 GLU H . 19328 1 498 . 1 1 45 45 GLU HA H 1 4.63 0.02 . 1 . . . A 45 GLU HA . 19328 1 499 . 1 1 45 45 GLU HB2 H 1 2.13 0.02 . 2 . . . A 45 GLU HB2 . 19328 1 500 . 1 1 45 45 GLU HB3 H 1 1.96 0.02 . 2 . . . A 45 GLU HB3 . 19328 1 501 . 1 1 45 45 GLU HG2 H 1 2.29 0.02 . 2 . . . A 45 GLU HG2 . 19328 1 502 . 1 1 45 45 GLU HG3 H 1 2.29 0.02 . 2 . . . A 45 GLU HG3 . 19328 1 503 . 1 1 45 45 GLU C C 13 175.4 0.2 . 1 . . . A 45 GLU C . 19328 1 504 . 1 1 45 45 GLU CA C 13 54.9 0.2 . 1 . . . A 45 GLU CA . 19328 1 505 . 1 1 45 45 GLU CB C 13 32.02 0.2 . 1 . . . A 45 GLU CB . 19328 1 506 . 1 1 45 45 GLU CG C 13 35.7 0.2 . 1 . . . A 45 GLU CG . 19328 1 507 . 1 1 45 45 GLU N N 15 118.2 0.2 . 1 . . . A 45 GLU N . 19328 1 508 . 1 1 46 46 ASP H H 1 8.46 0.02 . 1 . . . A 46 ASP H . 19328 1 509 . 1 1 46 46 ASP HA H 1 4.78 0.02 . 1 . . . A 46 ASP HA . 19328 1 510 . 1 1 46 46 ASP HB2 H 1 2.49 0.02 . 2 . . . A 46 ASP HB2 . 19328 1 511 . 1 1 46 46 ASP HB3 H 1 2.49 0.02 . 2 . . . A 46 ASP HB3 . 19328 1 512 . 1 1 46 46 ASP C C 13 175.9 0.2 . 1 . . . A 46 ASP C . 19328 1 513 . 1 1 46 46 ASP CA C 13 54.2 0.2 . 1 . . . A 46 ASP CA . 19328 1 514 . 1 1 46 46 ASP CB C 13 41.0 0.2 . 1 . . . A 46 ASP CB . 19328 1 515 . 1 1 46 46 ASP N N 15 121.6 0.2 . 1 . . . A 46 ASP N . 19328 1 516 . 1 1 47 47 TYR H H 1 9.08 0.02 . 1 . . . A 47 TYR H . 19328 1 517 . 1 1 47 47 TYR HA H 1 4.55 0.02 . 1 . . . A 47 TYR HA . 19328 1 518 . 1 1 47 47 TYR HB2 H 1 2.94 0.02 . 2 . . . A 47 TYR HB2 . 19328 1 519 . 1 1 47 47 TYR HB3 H 1 2.71 0.02 . 2 . . . A 47 TYR HB3 . 19328 1 520 . 1 1 47 47 TYR HD1 H 1 6.72 0.02 . 3 . . . A 47 TYR HD1 . 19328 1 521 . 1 1 47 47 TYR HD2 H 1 6.72 0.02 . 3 . . . A 47 TYR HD2 . 19328 1 522 . 1 1 47 47 TYR HE1 H 1 6.11 0.02 . 3 . . . A 47 TYR HE1 . 19328 1 523 . 1 1 47 47 TYR HE2 H 1 6.11 0.02 . 3 . . . A 47 TYR HE2 . 19328 1 524 . 1 1 47 47 TYR C C 13 172.2 0.2 . 1 . . . A 47 TYR C . 19328 1 525 . 1 1 47 47 TYR CA C 13 58.0 0.2 . 1 . . . A 47 TYR CA . 19328 1 526 . 1 1 47 47 TYR CB C 13 39.8 0.2 . 1 . . . A 47 TYR CB . 19328 1 527 . 1 1 47 47 TYR CD1 C 13 132.7 0.2 . 3 . . . A 47 TYR CD1 . 19328 1 528 . 1 1 47 47 TYR CD2 C 13 132.7 0.2 . 3 . . . A 47 TYR CD2 . 19328 1 529 . 1 1 47 47 TYR CE1 C 13 116.9 0.2 . 3 . . . A 47 TYR CE1 . 19328 1 530 . 1 1 47 47 TYR CE2 C 13 116.9 0.2 . 3 . . . A 47 TYR CE2 . 19328 1 531 . 1 1 47 47 TYR N N 15 124.6 0.2 . 1 . . . A 47 TYR N . 19328 1 532 . 1 1 48 48 ILE H H 1 7.33 0.02 . 1 . . . A 48 ILE H . 19328 1 533 . 1 1 48 48 ILE HA H 1 4.47 0.02 . 1 . . . A 48 ILE HA . 19328 1 534 . 1 1 48 48 ILE HB H 1 1.47 0.02 . 1 . . . A 48 ILE HB . 19328 1 535 . 1 1 48 48 ILE HG12 H 1 1.26 0.02 . 2 . . . A 48 ILE HG12 . 19328 1 536 . 1 1 48 48 ILE HG13 H 1 0.90 0.02 . 2 . . . A 48 ILE HG13 . 19328 1 537 . 1 1 48 48 ILE HG21 H 1 0.67 0.02 . 1 . . . A 48 ILE HG21 . 19328 1 538 . 1 1 48 48 ILE HG22 H 1 0.67 0.02 . 1 . . . A 48 ILE HG22 . 19328 1 539 . 1 1 48 48 ILE HG23 H 1 0.67 0.02 . 1 . . . A 48 ILE HG23 . 19328 1 540 . 1 1 48 48 ILE HD11 H 1 0.65 0.02 . 1 . . . A 48 ILE HD11 . 19328 1 541 . 1 1 48 48 ILE HD12 H 1 0.65 0.02 . 1 . . . A 48 ILE HD12 . 19328 1 542 . 1 1 48 48 ILE HD13 H 1 0.65 0.02 . 1 . . . A 48 ILE HD13 . 19328 1 543 . 1 1 48 48 ILE C C 13 174.8 0.2 . 1 . . . A 48 ILE C . 19328 1 544 . 1 1 48 48 ILE CA C 13 58.6 0.2 . 1 . . . A 48 ILE CA . 19328 1 545 . 1 1 48 48 ILE CB C 13 38.3 0.2 . 1 . . . A 48 ILE CB . 19328 1 546 . 1 1 48 48 ILE CG1 C 13 27.2 0.2 . 1 . . . A 48 ILE CG1 . 19328 1 547 . 1 1 48 48 ILE CG2 C 13 18.4 0.2 . 1 . . . A 48 ILE CG2 . 19328 1 548 . 1 1 48 48 ILE CD1 C 13 12.1 0.2 . 1 . . . A 48 ILE CD1 . 19328 1 549 . 1 1 48 48 ILE N N 15 128.0 0.2 . 1 . . . A 48 ILE N . 19328 1 550 . 1 1 49 49 CYS H H 1 9.26 0.02 . 1 . . . A 49 CYS H . 19328 1 551 . 1 1 49 49 CYS HA H 1 4.16 0.02 . 1 . . . A 49 CYS HA . 19328 1 552 . 1 1 49 49 CYS HB2 H 1 3.10 0.02 . 2 . . . A 49 CYS HB2 . 19328 1 553 . 1 1 49 49 CYS HB3 H 1 2.48 0.02 . 2 . . . A 49 CYS HB3 . 19328 1 554 . 1 1 49 49 CYS C C 13 176.4 0.2 . 1 . . . A 49 CYS C . 19328 1 555 . 1 1 49 49 CYS CA C 13 58.5 0.2 . 1 . . . A 49 CYS CA . 19328 1 556 . 1 1 49 49 CYS CB C 13 31.8 0.2 . 1 . . . A 49 CYS CB . 19328 1 557 . 1 1 49 49 CYS N N 15 130.1 0.2 . 1 . . . A 49 CYS N . 19328 1 558 . 1 1 50 50 VAL H H 1 7.89 0.02 . 1 . . . A 50 VAL H . 19328 1 559 . 1 1 50 50 VAL HA H 1 3.80 0.02 . 1 . . . A 50 VAL HA . 19328 1 560 . 1 1 50 50 VAL HB H 1 2.154 0.02 . 1 . . . A 50 VAL HB . 19328 1 561 . 1 1 50 50 VAL HG11 H 1 1.07 0.02 . 2 . . . A 50 VAL HG11 . 19328 1 562 . 1 1 50 50 VAL HG12 H 1 1.07 0.02 . 2 . . . A 50 VAL HG12 . 19328 1 563 . 1 1 50 50 VAL HG13 H 1 1.07 0.02 . 2 . . . A 50 VAL HG13 . 19328 1 564 . 1 1 50 50 VAL HG21 H 1 1.057 0.02 . 2 . . . A 50 VAL HG21 . 19328 1 565 . 1 1 50 50 VAL HG22 H 1 1.057 0.02 . 2 . . . A 50 VAL HG22 . 19328 1 566 . 1 1 50 50 VAL HG23 H 1 1.057 0.02 . 2 . . . A 50 VAL HG23 . 19328 1 567 . 1 1 50 50 VAL C C 13 177.9 0.2 . 1 . . . A 50 VAL C . 19328 1 568 . 1 1 50 50 VAL CA C 13 65.3 0.2 . 1 . . . A 50 VAL CA . 19328 1 569 . 1 1 50 50 VAL CB C 13 31.8 0.2 . 1 . . . A 50 VAL CB . 19328 1 570 . 1 1 50 50 VAL CG1 C 13 20.93 0.2 . 2 . . . A 50 VAL CG1 . 19328 1 571 . 1 1 50 50 VAL CG2 C 13 20.93 0.2 . 2 . . . A 50 VAL CG2 . 19328 1 572 . 1 1 50 50 VAL N N 15 116.1 0.2 . 1 . . . A 50 VAL N . 19328 1 573 . 1 1 51 51 ARG H H 1 8.24 0.02 . 1 . . . A 51 ARG H . 19328 1 574 . 1 1 51 51 ARG HA H 1 4.24 0.02 . 1 . . . A 51 ARG HA . 19328 1 575 . 1 1 51 51 ARG HB2 H 1 2.10 0.02 . 2 . . . A 51 ARG HB2 . 19328 1 576 . 1 1 51 51 ARG HB3 H 1 1.98 0.02 . 2 . . . A 51 ARG HB3 . 19328 1 577 . 1 1 51 51 ARG HG2 H 1 1.71 0.02 . 2 . . . A 51 ARG HG2 . 19328 1 578 . 1 1 51 51 ARG HG3 H 1 1.86 0.02 . 2 . . . A 51 ARG HG3 . 19328 1 579 . 1 1 51 51 ARG HD2 H 1 3.30 0.02 . 2 . . . A 51 ARG HD2 . 19328 1 580 . 1 1 51 51 ARG HD3 H 1 3.30 0.02 . 2 . . . A 51 ARG HD3 . 19328 1 581 . 1 1 51 51 ARG C C 13 178.9 0.2 . 1 . . . A 51 ARG C . 19328 1 582 . 1 1 51 51 ARG CA C 13 59.0 0.2 . 1 . . . A 51 ARG CA . 19328 1 583 . 1 1 51 51 ARG CB C 13 30.3 0.2 . 1 . . . A 51 ARG CB . 19328 1 584 . 1 1 51 51 ARG CG C 13 27.99 0.2 . 1 . . . A 51 ARG CG . 19328 1 585 . 1 1 51 51 ARG CD C 13 43.4 0.2 . 1 . . . A 51 ARG CD . 19328 1 586 . 1 1 51 51 ARG N N 15 121.8 0.2 . 1 . . . A 51 ARG N . 19328 1 587 . 1 1 52 52 CYS H H 1 8.67 0.02 . 1 . . . A 52 CYS H . 19328 1 588 . 1 1 52 52 CYS HA H 1 4.02 0.02 . 1 . . . A 52 CYS HA . 19328 1 589 . 1 1 52 52 CYS HB2 H 1 3.18 0.02 . 2 . . . A 52 CYS HB2 . 19328 1 590 . 1 1 52 52 CYS HB3 H 1 2.84 0.02 . 2 . . . A 52 CYS HB3 . 19328 1 591 . 1 1 52 52 CYS C C 13 176.5 0.2 . 1 . . . A 52 CYS C . 19328 1 592 . 1 1 52 52 CYS CA C 13 63.4 0.2 . 1 . . . A 52 CYS CA . 19328 1 593 . 1 1 52 52 CYS CB C 13 30.1 0.2 . 1 . . . A 52 CYS CB . 19328 1 594 . 1 1 52 52 CYS N N 15 123.7 0.2 . 1 . . . A 52 CYS N . 19328 1 595 . 1 1 53 53 THR H H 1 7.88 0.02 . 1 . . . A 53 THR H . 19328 1 596 . 1 1 53 53 THR HA H 1 3.86 0.02 . 1 . . . A 53 THR HA . 19328 1 597 . 1 1 53 53 THR HB H 1 4.10 0.02 . 1 . . . A 53 THR HB . 19328 1 598 . 1 1 53 53 THR HG21 H 1 1.13 0.02 . 1 . . . A 53 THR HG21 . 19328 1 599 . 1 1 53 53 THR HG22 H 1 1.13 0.02 . 1 . . . A 53 THR HG22 . 19328 1 600 . 1 1 53 53 THR HG23 H 1 1.13 0.02 . 1 . . . A 53 THR HG23 . 19328 1 601 . 1 1 53 53 THR C C 13 174.9 0.2 . 1 . . . A 53 THR C . 19328 1 602 . 1 1 53 53 THR CA C 13 65.2 0.2 . 1 . . . A 53 THR CA . 19328 1 603 . 1 1 53 53 THR CB C 13 69.4 0.2 . 1 . . . A 53 THR CB . 19328 1 604 . 1 1 53 53 THR CG2 C 13 21.0 0.2 . 1 . . . A 53 THR CG2 . 19328 1 605 . 1 1 53 53 THR N N 15 115.8 0.2 . 1 . . . A 53 THR N . 19328 1 606 . 1 1 54 54 VAL H H 1 7.57 0.02 . 1 . . . A 54 VAL H . 19328 1 607 . 1 1 54 54 VAL HA H 1 4.02 0.02 . 1 . . . A 54 VAL HA . 19328 1 608 . 1 1 54 54 VAL HB H 1 2.12 0.02 . 1 . . . A 54 VAL HB . 19328 1 609 . 1 1 54 54 VAL HG11 H 1 0.94 0.02 . 2 . . . A 54 VAL HG11 . 19328 1 610 . 1 1 54 54 VAL HG12 H 1 0.94 0.02 . 2 . . . A 54 VAL HG12 . 19328 1 611 . 1 1 54 54 VAL HG13 H 1 0.94 0.02 . 2 . . . A 54 VAL HG13 . 19328 1 612 . 1 1 54 54 VAL HG21 H 1 1.00 0.02 . 2 . . . A 54 VAL HG21 . 19328 1 613 . 1 1 54 54 VAL HG22 H 1 1.00 0.02 . 2 . . . A 54 VAL HG22 . 19328 1 614 . 1 1 54 54 VAL HG23 H 1 1.00 0.02 . 2 . . . A 54 VAL HG23 . 19328 1 615 . 1 1 54 54 VAL C C 13 176.6 0.2 . 1 . . . A 54 VAL C . 19328 1 616 . 1 1 54 54 VAL CA C 13 63.2 0.2 . 1 . . . A 54 VAL CA . 19328 1 617 . 1 1 54 54 VAL CB C 13 32.4 0.2 . 1 . . . A 54 VAL CB . 19328 1 618 . 1 1 54 54 VAL CG1 C 13 21.1 0.2 . 2 . . . A 54 VAL CG1 . 19328 1 619 . 1 1 54 54 VAL CG2 C 13 20.9 0.2 . 2 . . . A 54 VAL CG2 . 19328 1 620 . 1 1 54 54 VAL N N 15 120.9 0.2 . 1 . . . A 54 VAL N . 19328 1 621 . 1 1 55 55 LYS H H 1 8.13 0.02 . 1 . . . A 55 LYS H . 19328 1 622 . 1 1 55 55 LYS HA H 1 4.21 0.02 . 1 . . . A 55 LYS HA . 19328 1 623 . 1 1 55 55 LYS HB2 H 1 1.79 0.02 . 2 . . . A 55 LYS HB2 . 19328 1 624 . 1 1 55 55 LYS HB3 H 1 1.79 0.02 . 2 . . . A 55 LYS HB3 . 19328 1 625 . 1 1 55 55 LYS HG2 H 1 1.42 0.02 . 2 . . . A 55 LYS HG2 . 19328 1 626 . 1 1 55 55 LYS HG3 H 1 1.46 0.02 . 2 . . . A 55 LYS HG3 . 19328 1 627 . 1 1 55 55 LYS HD2 H 1 1.65 0.02 . 2 . . . A 55 LYS HD2 . 19328 1 628 . 1 1 55 55 LYS HD3 H 1 1.65 0.02 . 2 . . . A 55 LYS HD3 . 19328 1 629 . 1 1 55 55 LYS HE2 H 1 3.00 0.02 . 2 . . . A 55 LYS HE2 . 19328 1 630 . 1 1 55 55 LYS HE3 H 1 3.00 0.02 . 2 . . . A 55 LYS HE3 . 19328 1 631 . 1 1 55 55 LYS C C 13 176.7 0.2 . 1 . . . A 55 LYS C . 19328 1 632 . 1 1 55 55 LYS CA C 13 57.2 0.2 . 1 . . . A 55 LYS CA . 19328 1 633 . 1 1 55 55 LYS CB C 13 33.1 0.2 . 1 . . . A 55 LYS CB . 19328 1 634 . 1 1 55 55 LYS CG C 13 24.6 0.2 . 1 . . . A 55 LYS CG . 19328 1 635 . 1 1 55 55 LYS CD C 13 29.1 0.2 . 1 . . . A 55 LYS CD . 19328 1 636 . 1 1 55 55 LYS CE C 13 42.1 0.2 . 1 . . . A 55 LYS CE . 19328 1 637 . 1 1 55 55 LYS N N 15 123.1 0.2 . 1 . . . A 55 LYS N . 19328 1 638 . 1 1 56 56 ASP H H 1 8.30 0.02 . 1 . . . A 56 ASP H . 19328 1 639 . 1 1 56 56 ASP HA H 1 4.58 0.02 . 1 . . . A 56 ASP HA . 19328 1 640 . 1 1 56 56 ASP HB2 H 1 2.63 0.02 . 2 . . . A 56 ASP HB2 . 19328 1 641 . 1 1 56 56 ASP HB3 H 1 2.70 0.02 . 2 . . . A 56 ASP HB3 . 19328 1 642 . 1 1 56 56 ASP C C 13 175.6 0.2 . 1 . . . A 56 ASP C . 19328 1 643 . 1 1 56 56 ASP CA C 13 54.3 0.2 . 1 . . . A 56 ASP CA . 19328 1 644 . 1 1 56 56 ASP CB C 13 40.8 0.2 . 1 . . . A 56 ASP CB . 19328 1 645 . 1 1 56 56 ASP N N 15 119.6 0.2 . 1 . . . A 56 ASP N . 19328 1 646 . 1 1 57 57 ALA H H 1 7.89 0.02 . 1 . . . A 57 ALA H . 19328 1 647 . 1 1 57 57 ALA HA H 1 4.54 0.02 . 1 . . . A 57 ALA HA . 19328 1 648 . 1 1 57 57 ALA HB1 H 1 1.38 0.02 . 1 . . . A 57 ALA HB1 . 19328 1 649 . 1 1 57 57 ALA HB2 H 1 1.38 0.02 . 1 . . . A 57 ALA HB2 . 19328 1 650 . 1 1 57 57 ALA HB3 H 1 1.38 0.02 . 1 . . . A 57 ALA HB3 . 19328 1 651 . 1 1 57 57 ALA CA C 13 51.1 0.2 . 1 . . . A 57 ALA CA . 19328 1 652 . 1 1 57 57 ALA CB C 13 18.2 0.2 . 1 . . . A 57 ALA CB . 19328 1 653 . 1 1 57 57 ALA N N 15 124.7 0.2 . 1 . . . A 57 ALA N . 19328 1 654 . 1 1 58 58 PRO HA H 1 4.45 0.02 . 1 . . . A 58 PRO HA . 19328 1 655 . 1 1 58 58 PRO HB2 H 1 2.32 0.02 . 2 . . . A 58 PRO HB2 . 19328 1 656 . 1 1 58 58 PRO HB3 H 1 1.92 0.02 . 2 . . . A 58 PRO HB3 . 19328 1 657 . 1 1 58 58 PRO HG2 H 1 2.03 0.02 . 2 . . . A 58 PRO HG2 . 19328 1 658 . 1 1 58 58 PRO HG3 H 1 2.03 0.02 . 2 . . . A 58 PRO HG3 . 19328 1 659 . 1 1 58 58 PRO HD2 H 1 3.80 0.02 . 2 . . . A 58 PRO HD2 . 19328 1 660 . 1 1 58 58 PRO HD3 H 1 3.66 0.02 . 2 . . . A 58 PRO HD3 . 19328 1 661 . 1 1 58 58 PRO C C 13 177.1 0.2 . 1 . . . A 58 PRO C . 19328 1 662 . 1 1 58 58 PRO CA C 13 63.5 0.2 . 1 . . . A 58 PRO CA . 19328 1 663 . 1 1 58 58 PRO CB C 13 31.9 0.2 . 1 . . . A 58 PRO CB . 19328 1 664 . 1 1 58 58 PRO CG C 13 27.4 0.2 . 1 . . . A 58 PRO CG . 19328 1 665 . 1 1 58 58 PRO CD C 13 50.6 0.2 . 1 . . . A 58 PRO CD . 19328 1 666 . 1 1 59 59 SER H H 1 8.32 0.02 . 1 . . . A 59 SER H . 19328 1 667 . 1 1 59 59 SER HA H 1 4.43 0.02 . 1 . . . A 59 SER HA . 19328 1 668 . 1 1 59 59 SER HB2 H 1 3.89 0.02 . 2 . . . A 59 SER HB2 . 19328 1 669 . 1 1 59 59 SER HB3 H 1 3.89 0.02 . 2 . . . A 59 SER HB3 . 19328 1 670 . 1 1 59 59 SER C C 13 174.5 0.2 . 1 . . . A 59 SER C . 19328 1 671 . 1 1 59 59 SER CA C 13 58.3 0.2 . 1 . . . A 59 SER CA . 19328 1 672 . 1 1 59 59 SER CB C 13 63.7 0.2 . 1 . . . A 59 SER CB . 19328 1 673 . 1 1 59 59 SER N N 15 115.5 0.2 . 1 . . . A 59 SER N . 19328 1 674 . 1 1 60 60 ARG H H 1 8.30 0.02 . 1 . . . A 60 ARG H . 19328 1 675 . 1 1 60 60 ARG HA H 1 4.39 0.02 . 1 . . . A 60 ARG HA . 19328 1 676 . 1 1 60 60 ARG HB2 H 1 1.91 0.02 . 2 . . . A 60 ARG HB2 . 19328 1 677 . 1 1 60 60 ARG HB3 H 1 1.77 0.02 . 2 . . . A 60 ARG HB3 . 19328 1 678 . 1 1 60 60 ARG HG2 H 1 1.66 0.02 . 2 . . . A 60 ARG HG2 . 19328 1 679 . 1 1 60 60 ARG HG3 H 1 1.66 0.02 . 2 . . . A 60 ARG HG3 . 19328 1 680 . 1 1 60 60 ARG HD2 H 1 3.21 0.02 . 2 . . . A 60 ARG HD2 . 19328 1 681 . 1 1 60 60 ARG HD3 H 1 3.21 0.02 . 2 . . . A 60 ARG HD3 . 19328 1 682 . 1 1 60 60 ARG C C 13 175.3 0.2 . 1 . . . A 60 ARG C . 19328 1 683 . 1 1 60 60 ARG CA C 13 55.9 0.2 . 1 . . . A 60 ARG CA . 19328 1 684 . 1 1 60 60 ARG CB C 13 30.8 0.2 . 1 . . . A 60 ARG CB . 19328 1 685 . 1 1 60 60 ARG CG C 13 27.0 0.2 . 1 . . . A 60 ARG CG . 19328 1 686 . 1 1 60 60 ARG CD C 13 43.2 0.2 . 1 . . . A 60 ARG CD . 19328 1 687 . 1 1 60 60 ARG N N 15 123.6 0.2 . 1 . . . A 60 ARG N . 19328 1 688 . 1 1 61 61 LYS H H 1 7.98 0.02 . 1 . . . A 61 LYS H . 19328 1 689 . 1 1 61 61 LYS HA H 1 4.15 0.02 . 1 . . . A 61 LYS HA . 19328 1 690 . 1 1 61 61 LYS HB2 H 1 1.82 0.02 . 2 . . . A 61 LYS HB2 . 19328 1 691 . 1 1 61 61 LYS HB3 H 1 1.70 0.02 . 2 . . . A 61 LYS HB3 . 19328 1 692 . 1 1 61 61 LYS HG2 H 1 1.42 0.02 . 2 . . . A 61 LYS HG2 . 19328 1 693 . 1 1 61 61 LYS HG3 H 1 1.42 0.02 . 2 . . . A 61 LYS HG3 . 19328 1 694 . 1 1 61 61 LYS HD2 H 1 1.70 0.02 . 2 . . . A 61 LYS HD2 . 19328 1 695 . 1 1 61 61 LYS HD3 H 1 1.70 0.02 . 2 . . . A 61 LYS HD3 . 19328 1 696 . 1 1 61 61 LYS HE2 H 1 3.01 0.02 . 2 . . . A 61 LYS HE2 . 19328 1 697 . 1 1 61 61 LYS HE3 H 1 3.01 0.02 . 2 . . . A 61 LYS HE3 . 19328 1 698 . 1 1 61 61 LYS CA C 13 57.7 0.2 . 1 . . . A 61 LYS CA . 19328 1 699 . 1 1 61 61 LYS CB C 13 33.6 0.2 . 1 . . . A 61 LYS CB . 19328 1 700 . 1 1 61 61 LYS CG C 13 24.6 0.2 . 1 . . . A 61 LYS CG . 19328 1 701 . 1 1 61 61 LYS CD C 13 29.2 0.2 . 1 . . . A 61 LYS CD . 19328 1 702 . 1 1 61 61 LYS CE C 13 42.1 0.2 . 1 . . . A 61 LYS CE . 19328 1 703 . 1 1 61 61 LYS N N 15 128.0 0.2 . 1 . . . A 61 LYS N . 19328 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_NUS_Nnoesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode NUS_Nnoesy _Spectral_peak_list.Entry_ID 19328 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_HR7375C.005 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY NUS' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height Note ?-?-? 109.361 3.077 6.654 9614067 ?-?-? 115.852 4.964 7.879 6881746 ?-?-? 119.463 7.486 9.785 6124292 ?-?-? 121.533 4.360 8.463 9142360 ?-?-? 125.118 7.379 8.552 15221227 ?-?-? 121.737 4.411 8.258 14669615 A1H-H-H 106.508 3.125 7.134 16357786 V35N-C34HB2-V35H/V35N-C34HB3-V35H(QU=0.969) A1H-H-H 106.753 1.753 6.777 7000787 Q32NE2-Q32HG2-Q32HE21/Q32NE2-Q32HG2-Q32HE22(QU=0.507) A1H-H-H 106.778 2.711 6.777 7544503 Q32NE2-D18HB2-Q32HE21/Q32NE2-D18HB2-Q32HE22(QU=0.383) A1H-H-H 106.784 1.853 6.777 11355829 Q32NE2-Q32HG3-Q32HE21/Q32NE2-Q32HG3-Q32HE22(QU=0.651) A1H-H-H 106.785 1.416 6.748 7478002 Q32NE2-A42QB-Q32HE21/Q32NE2-A42QB-Q32HE22(QU=0.590) A1H-H-H 106.789 6.776 6.773 217677488 Q32NE2-Q32HE21-Q32HE21/Q32NE2-Q32HE22-Q32HE22(QU=0.568) A1H-H-H 108.937 4.363 8.360 76155000 G14N-E13HA-G14H/G14N-G14HA3-G14H(QU=0.694) A1H-H-H 112.754 1.035 8.833 83106824 V33N-V33QG1-V33H/V33N-V33QG2-V33H(QU=0.453) A1H-H-H 113.122 3.727 7.889 28855328 S8N-V7HA-S8H/S8N-S8HB2-S8H(QU=0.743) A1H-H-H 115.420 4.453 8.323 48852324 S59N-P58HA-S59H/S59N-S59HA-S59H(QU=0.844) A1H-H-H 116.006 3.800 7.884 34828740 V50N-V50HA-V50H/T53N-V50HA-T53H(QU=0.400) A1H-H-H 116.032 1.078 7.885 56922368 V50N-V50QG1-V50H/V50N-V50QG2-V50H(QU=0.865) A1H-H-H 116.263 4.477 10.038 13374706 G24N-C22HA-G24H/G24N-I48HA-G24H(QU=0.524) A1H-H-H 116.399 3.942 8.858 31734246 S25N-S25HB2-S25H/S25N-S25HB3-S25H(QU=0.809) A1H-H-H 116.506 1.956 8.495 59692256 E40N-P39HB2-E40H/E40N-E40HB2-E40H(QU=0.446) A1H-H-H 117.581 4.342 7.768 36034548 K44N-E43HA-K44H/K44N-K44HA-K44H(QU=0.978) A1H-H-H 119.201 4.263 7.688 34679700 M41N-S38HB3-M41H/M41N-M41HA-M41H(QU=0.971) A1H-H-H 119.493 7.383 9.779 15945000 F30N-W29HE3-F30H/F30N-F30QD-F30H(QU=0.762) A1H-H-H 119.496 2.721 9.784 12792613 F30N-W29HB3-F30H/F30N-F30HB3-F30H(QU=0.935) A1H-H-H 119.527 1.756 8.313 28689276 W29N-Q28HB3-W29H/D56N-K55QB-D56H(QU=0.558) A1H-H-H 119.585 4.021 8.302 12425120 D56N-C52HA-D56H/D56N-V54HA-D56H(QU=0.793) A1H-H-H 120.105 2.061 9.855 7571983 Q11N-Q11HB2-Q11H/Q11N-Q11HB3-Q11H(QU=0.581) A1H-H-H 120.595 3.053 9.144 8406088 Q28N-C22HB3-Q28H/Q28N-N27HB3-Q28H(QU=0.863) A1H-H-H 120.794 1.872 8.386 58198996 E13N-P12HB3-E13H/E13N-E13HB3-E13H(QU=0.986) A1H-H-H 120.833 3.124 6.905 43079252 C34N-C34HB2-C34H/C34N-C34HB3-C34H(QU=0.874) A1H-H-H 120.840 4.090 6.903 37936988 C34N-V33HA-C34H/C34N-C34HA-C34H(QU=0.973) A1H-H-H 120.840 1.037 6.905 82139696 C34N-V33QG1-C34H/C34N-V33QG2-C34H(QU=0.983) A1H-H-H 121.482 7.398 10.255 10155440 V20N-W19HD1-V20H/V20N-W19HE3-V20H/V20N-W29HE3-V20H(QU=0.348) A1H-H-H 121.761 1.073 8.253 31027170 R51N-V50QG1-R51H/R51N-V50QG2-R51H(QU=0.392) A1H-H-H 121.964 3.951 8.378 11066097 C26N-S25HB2-C26H/C26N-S25HB3-C26H(QU=0.894) A1H-H-H 122.635 0.543 7.872 20242638 D18N-V17QG1-D18H/D18N-V17QG2-D18H(QU=0.608) A1H-H-H 123.088 4.023 8.134 101083504 K55N-C52HA-K55H/K55N-V54HA-K55H(QU=0.997) A1H-H-H 123.092 1.447 8.134 17412684 K55N-K55HG2-K55H/K55N-K55HG3-K55H(QU=0.968) A1H-H-H 123.500 4.424 8.299 27173786 R60N-S59HA-R60H/R60N-R60HA-R60H(QU=0.644) A1H-H-H 127.379 4.486 8.881 66343556 C22N-Q21HA-C22H/C22N-C22HA-C22H(QU=0.968) A1H-H-H 127.904 0.672 7.331 12636916 I48N-I48QG2-I48H/I48N-I48QD1-I48H(QU=0.830) A1H-H-H 127.932 1.712 7.971 11325108 K61N-K61HB3-K61H/K61N-K61QD-K61H(QU=0.441) A1H-H-H 129.722 5.223 9.802 12962106 C4N-M3HA-C4H/C4N-C4HA-C4H(QU=0.977) A1H-H-H 130.566 7.396 10.181 76332256 W19NE1-W19HD1-W19HE1/W19NE1-W19HZ2-W19HE1(QU=0.997) A1H-H-H 123.072 7.899 8.137 9370745 K55N-T53H-K55H/K55N-A57H-K55H(QU=0.357) A1H-H-H 119.577 1.434 8.297 6633322 D56N-K55HG2-D56H/D56N-K55HG3-D56H(QU=0.824) A1H-H-H 124.682 4.547 7.897 36239548 A57N-D56HA-A57H/A57N-A57HA-A57H(QU=0.981) A1H-H-H 123.499 4.393 8.297 11918109 R60N-S59HA-R60H/R60N-R60HA-R60H(QU=0.968) A1H-H-H 120.565 8.349 9.138 7041424 Q28N-C26H-Q28H/Q28N-W29H-Q28H(QU=0.690) A1H-H-H 116.502 3.954 8.486 7891105 E40N-S38HB2-E40H/E40N-P39HD3-E40H(QU=0.955) M3N-H2HA-M3H 121.032 4.829 8.443 55627796 M3N-H2HB3-M3H 121.035 3.308 8.440 5215904 M3N-HA-H 121.030 5.226 8.443 8605635 M3N-HB2-H 121.044 2.032 8.445 22897206 M3N-HB3-H 121.001 2.232 8.439 12327400 M3N-QG-H 121.046 2.677 8.444 9249770 A6N-P5HA-A6H 125.122 4.777 8.545 16760672 A6N-HA-H 125.120 4.496 8.548 25661508 A6N-QB-H 125.121 1.525 8.548 87603080 A6N-C9HB2-A6H 125.191 3.387 8.545 5586540 A6N-C9HB3-A6H 125.093 3.025 8.544 8350433 A6N-F30QE-A6H 125.127 7.201 8.546 9787909 V7N-A6HA-V7H 121.482 4.498 8.530 43751796 V7N-A6QB-V7H 121.496 1.526 8.532 25465314 V7N-HA-H 121.484 3.733 8.532 18210332 V7N-HB-H 121.500 2.059 8.531 35451116 V7N-QG1-H 121.482 1.035 8.532 13940443 V7N-QG2-H 121.490 1.160 8.531 51893172 V7N-S8H-V7H 121.495 7.897 8.530 16376567 S8N-A6QB-S8H 113.123 1.526 7.893 18991450 S8N-V7H-S8H 113.123 8.539 7.896 19923760 S8N-V7HB-S8H 113.108 2.061 7.890 25030528 S8N-V7QG1-S8H 113.106 1.031 7.892 18064874 S8N-V7QG2-S8H 113.114 1.157 7.886 10109778 S8N-HA-H 113.111 4.555 7.889 22778336 S8N-HB3-H 113.144 3.835 7.890 17430620 S8N-C9H-S8H 113.118 8.307 7.889 10311683 C9N-S8HA-C9H 125.972 4.556 8.309 34738704 C9N-HA-H 125.958 5.271 8.308 6781848 C9N-HB2-H 125.952 3.401 8.309 11950307 C9N-HB3-H 125.969 3.009 8.309 17297948 L10N-C9HA-L10H 135.702 5.268 10.173 35615560 L10N-HA-H 135.713 4.182 10.172 8116884 L10N-HB2-H 135.687 1.662 10.172 15503358 L10N-HG-H 135.696 1.903 10.171 13157502 L10N-Q11H-L10H 135.715 9.861 10.174 11812614 Q11N-L10H-Q11H 120.098 10.185 9.854 14004104 Q11N-L10HA-Q11H 120.132 4.191 9.861 6194321 Q11N-L10HB2-Q11H 120.111 1.646 9.857 7077611 Q11N-HA-H 120.101 3.874 9.855 33149046 Q11N-HG3-H 120.110 2.343 9.855 11776221 Q11N-P12HD2-Q11H 120.131 2.575 9.853 9942374 Q11N-P12HD3-Q11H 120.090 2.864 9.850 7402984 Q11NE2-HA-HE21 111.981 3.859 7.626 7207875 Q11NE2-HE21-HE22 111.958 7.631 6.825 349319424 Q11NE2-HE22-HE21 111.962 6.829 7.627 365015872 Q11NE2-HG2-HE21 111.929 2.243 7.630 8513947 Q11NE2-HG3-HE21 111.921 2.338 7.626 14694288 E13N-P12HA-E13H 120.792 4.240 8.386 148384416 E13N-P12HB2-E13H 120.799 1.674 8.388 14361057 E13N-HA-H 120.790 4.365 8.383 29605970 E13N-HB2-H 120.797 2.017 8.385 22008550 E13N-HG2-H 120.814 2.210 8.387 13380794 E13N-HG3-H 120.810 2.303 8.386 13129475 G14N-E13HB2-G14H 108.940 2.016 8.359 14320183 G14N-E13HB3-G14H 108.971 1.881 8.361 6836813 G14N-E13HG3-G14H 108.997 2.308 8.363 7080465 G14N-HA2-H 108.946 3.838 8.359 40358596 D15N-G14HA2-D15H 118.776 3.839 8.512 32434068 D15N-G14HA3-D15H 118.773 4.329 8.512 30604622 D15N-HA-H 118.775 4.690 8.513 24838406 D15N-HB2-H 118.760 2.810 8.510 11541343 D15N-HB3-H 118.769 2.622 8.512 33523758 D15N-E16H-D15H 118.768 8.400 8.512 26180216 E16N-G14HA3-E16H 120.083 4.328 8.391 9501194 E16N-D15H-E16H 120.101 8.516 8.393 31335460 E16N-D15HA-E16H 120.094 4.688 8.394 20583774 E16N-D15HB2-E16H 120.100 2.799 8.395 7667289 E16N-D15HB3-E16H 120.124 2.612 8.393 10813956 E16N-HA-H 120.101 4.560 8.393 31262036 E16N-HB2-H 120.094 2.119 8.395 14870503 E16N-HB3-H 120.096 1.903 8.392 25791074 E16N-QG-H 120.103 2.217 8.393 14490268 E16N-V17H-E16H 120.087 7.513 8.395 31349412 V17N-E16H-V17H 120.098 8.400 7.509 22589670 V17N-E16HA-V17H 120.106 4.560 7.507 60131052 V17N-E16QG-V17H 120.117 2.209 7.505 11525421 V17N-HA-H 120.119 3.964 7.507 23386956 V17N-HB-H 120.111 1.906 7.508 44076376 V17N-QG2-H 120.106 0.585 7.507 59095500 V17N-D18H-V17H 120.084 7.857 7.512 7539334 D18N-V17H-D18H 122.663 7.528 7.869 5884862 D18N-V17HA-D18H 122.644 3.960 7.872 133269648 D18N-V17HB-D18H 122.628 1.898 7.872 17915600 D18N-V17QG2-D18H 122.637 0.585 7.871 18067450 D18N-HA-H 122.639 5.142 7.870 14137534 D18N-HB2-H 122.638 2.722 7.876 10471401 D18N-HB3-H 122.639 2.392 7.871 37821368 W19N-D18HA-W19H 124.133 5.140 9.531 71237280 W19N-D18HB2-W19H 124.154 2.714 9.531 12913366 W19N-HA-H 124.120 5.649 9.532 6358890 W19N-HB2-H 124.118 3.665 9.526 6786106 W19N-HB3-H 124.137 3.132 9.533 18460894 W19N-HD1-H 124.103 7.394 9.530 16590544 W19NE1-V17QG2-W19HE1 130.567 0.564 10.179 12328033 V20N-W19HA-V20H 121.480 5.648 10.257 48006188 V20N-W19HB2-V20H 121.472 3.687 10.253 15106969 V20N-W19HB3-V20H 121.478 3.121 10.257 5435404 V20N-HA-H 121.459 4.805 10.253 15865572 V20N-HB-H 121.455 1.881 10.260 8079934 V20N-QG1-H 121.472 0.473 10.256 46391792 V20N-QG2-H 121.492 0.969 10.259 6998760 V20N-F30H-V20H 121.481 9.783 10.259 12122452 Q21N-V20HA-Q21H 131.256 4.801 8.516 34723728 Q21N-V20QG2-Q21H 131.237 0.972 8.516 11005599 Q21N-HA-H 131.268 4.484 8.521 5282820 Q21N-HB2-H 131.266 1.215 8.520 4905826 Q21N-HB3-H 131.236 -0.750 8.525 5351470 Q21NE2-HE21-HE22 109.410 6.658 6.550 158066992 Q21NE2-HE22-HE21 109.404 6.553 6.655 174459216 Q21NE2-HG2-HE21 109.373 0.584 6.653 13136967 Q21NE2-HG2-HE22 109.438 0.576 6.551 7874384 Q21NE2-HG3-HE21 109.403 1.839 6.655 6020034 Q21NE2-HG3-HE22 109.496 1.836 6.551 5607238 Q21NE2-W29HE1-Q21HE21 109.430 10.059 6.660 5500596 Q21NE2-W29HE1-Q21HE22 109.442 10.056 6.552 4298449 C22N-Q21H-C22H 127.396 8.513 8.880 7549650 C22N-Q21HG2-C22H 127.363 0.600 8.878 9465382 C22N-Q21HG3-C22H 127.405 1.843 8.883 15747058 C22N-HB2-H 127.371 3.295 8.880 32571790 C22N-HB3-H 127.373 3.062 8.880 28898482 C22N-Q28H-C22H 127.406 9.140 8.883 4329000 C22N-W29HA-C22H 127.344 4.962 8.874 5716706 C22N-F30QD-C22H 127.354 7.378 8.878 8498334 C22N-F30QE-C22H 127.366 7.194 8.884 6533298 D23N-C22HA-D23H 129.207 4.500 9.832 43266108 D23N-HA-H 129.232 4.801 9.831 8646567 D23N-HB2-H 129.205 2.375 9.830 12777552 D23N-HB3-H 129.220 2.806 9.826 6363834 D23N-G24H-D23H 129.203 10.042 9.831 14283316 G24N-D23H-G24H 116.265 9.837 10.041 26140082 G24N-D23HA-G24H 116.254 4.812 10.039 16053761 G24N-HA2-H 116.273 3.719 10.038 49623692 G24N-HA3-H 116.277 4.322 10.041 21460210 G24N-I48HG13-G24H 116.253 0.911 10.034 6792076 G24N-I48QG2-G24H 116.268 0.674 10.037 10002192 S25N-G24HA2-S25H 116.409 3.733 8.856 30017100 S25N-G24HA3-S25H 116.407 4.319 8.859 23768662 S25N-HA-H 116.403 4.190 8.859 27035284 S25N-C26H-S25H 116.409 8.381 8.859 25703792 S25N-C26HB2-S25H 116.428 3.178 8.857 11494790 C26N-G24HA2-C26H 121.957 3.726 8.380 6465552 C26N-G24HA3-C26H 121.946 4.302 8.381 10032311 C26N-S25H-C26H 121.950 8.866 8.377 32814490 C26N-S25HA-C26H 121.950 4.184 8.375 9732815 C26N-HA-H 121.954 4.406 8.376 24665120 C26N-HB2-H 121.945 3.203 8.375 12667148 C26N-HB3-H 121.947 2.799 8.377 33214552 C26N-N27H-C26H 121.950 7.466 8.379 30465686 C26N-N27HB2-C26H 121.988 2.725 8.377 7113931 N27N-C22HB2-N27H 116.943 3.305 7.468 8910581 N27N-C26H-N27H 116.967 8.384 7.466 31081398 N27N-C26HA-N27H 116.985 4.411 7.471 9281593 N27N-HA-H 116.973 4.827 7.467 85138088 N27N-HB2-H 116.981 2.732 7.464 9126007 N27N-HB3-H 116.975 3.066 7.463 9836568 N27N-Q28H-N27H 116.984 9.143 7.466 18938504 N27ND2-HA-HD21 111.507 4.827 7.547 10522508 N27ND2-HA-HD22 111.471 4.823 6.781 6478656 N27ND2-HB2-HD21 111.511 2.729 7.547 6064428 N27ND2-HB3-HD21 111.514 3.082 7.554 5898924 N27ND2-HD21-HD22 111.511 7.551 6.780 570605696 N27ND2-HD22-HD21 111.506 6.783 7.546 541788288 Q28N-C22H-Q28H 120.639 8.877 9.135 3970933 Q28N-C22HB2-Q28H 120.587 3.298 9.137 21395580 Q28N-C26HB2-Q28H 120.570 3.187 9.137 6712266 Q28N-N27H-Q28H 120.597 7.473 9.141 21029300 Q28N-N27HA-Q28H 120.581 4.829 9.138 15880186 Q28N-HA-H 120.595 4.377 9.140 20697000 Q28N-HB2-H 120.593 2.375 9.139 38430560 Q28N-HB3-H 120.591 1.744 9.140 16039713 Q28N-HG2-H 120.594 2.545 9.140 30450680 Q28N-HG3-H 120.653 2.239 9.145 27685736 Q28NE2-HE21-HE22 112.377 7.906 6.942 229205584 Q28NE2-HE22-HE21 112.361 6.942 7.903 214512128 Q28NE2-HG2-HE21 112.354 2.561 7.903 7286896 Q28NE2-HG3-HE21 112.415 2.231 7.906 7073518 W29N-Q28HA-W29H 119.527 4.375 8.314 68323608 W29N-HA-H 119.532 4.964 8.311 8628263 W29N-HB2-H 119.488 3.083 8.315 11904084 W29N-HB3-H 119.522 2.760 8.313 31620744 W29N-HD1-H 119.498 7.220 8.315 12878418 W29NE1-Q21HE21-W29HE1 130.138 6.660 10.055 12545406 W29NE1-Q21HE22-W29HE1 130.141 6.555 10.055 11971554 W29NE1-HD1-HE1 130.110 7.221 10.054 53034252 W29NE1-HZ2-HE1 130.123 7.361 10.054 26018822 F30N-V20H-F30H 119.498 10.269 9.786 8599933 F30N-W29HA-F30H 119.488 4.966 9.784 24470592 F30N-W29HB2-F30H 119.498 3.083 9.782 9228864 F30N-HA-H 119.519 4.843 9.780 7848758 H31N-F30HA-H31H 123.550 4.822 9.047 17427558 H31N-F30HB2-H31H 123.541 3.043 9.050 10436142 H31N-HA-H 123.541 4.244 9.052 5967762 H31N-HB3-H 123.536 4.538 9.046 10916807 Q32N-W19HA-Q32H 124.055 5.644 8.402 19358636 Q32N-H31H-Q32H 124.033 9.074 8.404 6298204 Q32N-H31HA-Q32H 124.052 4.229 8.401 51806164 Q32N-H31HB2-Q32H 124.040 2.980 8.401 9134438 Q32N-HA-H 124.032 3.521 8.401 16961154 Q32N-HB2-H 124.058 2.478 8.399 7320720 Q32N-HB3-H 124.030 1.623 8.404 22854266 Q32N-HE21-H 124.050 6.784 8.398 6294341 Q32N-HG3-H 124.047 1.855 8.402 27913468 Q32N-V33H-Q32H 124.111 8.842 8.401 15858293 Q32NE2-HE22-HE22 106.758 6.744 6.739 256993456 V33N-H31HB2-V33H 112.735 2.970 8.839 7323862 V33N-Q32H-V33H 112.733 8.405 8.833 15836494 V33N-Q32HB2-V33H 112.743 2.469 8.832 9679215 V33N-Q32HB3-V33H 112.709 1.628 8.833 12093384 V33N-HA-H 112.755 4.079 8.832 20614698 V33N-HB-H 112.755 2.155 8.833 25574458 V33N-C34H-V33H 112.756 6.908 8.833 14389616 C34N-H31HB2-C34H 120.839 2.987 6.904 19870030 C34N-H31HB3-C34H 120.839 4.535 6.905 28151702 C34N-V33H-C34H 120.832 8.844 6.905 25366614 C34N-V33HB-C34H 120.832 2.159 6.903 11267237 C34N-V35H-C34H 120.837 7.139 6.904 66668508 V35N-Q32HA-V35H 106.480 3.528 7.145 7770693 V35N-C34H-V35H 106.438 6.906 7.135 40540652 V35N-C34HA-V35H 106.418 4.083 7.136 15493127 V35N-HA-H 106.460 4.557 7.133 23349718 V35N-HB-H 106.504 2.359 7.135 6970780 V35N-QG1-H 106.436 0.733 7.136 27164374 V35N-QG2-H 106.459 0.346 7.134 68125120 V35N-G36H-V35H 106.444 7.531 7.135 46096268 G36N-Q32HA-G36H 109.788 3.523 7.531 150313 G36N-V33HA-G36H 109.725 4.082 7.530 19404436 G36N-C34H-G36H 109.731 6.917 7.529 5861449 G36N-V35H-G36H 109.724 7.139 7.530 58896756 G36N-V35HA-G36H 109.718 4.562 7.530 18933318 G36N-V35QG2-G36H 109.722 0.346 7.527 13191162 G36N-HA2-H 109.728 3.849 7.530 46171336 G36N-HA3-H 109.730 3.961 7.529 21213954 V37N-V35QG2-V37H 118.988 0.344 7.501 23168748 V37N-G36HA2-V37H 118.991 3.855 7.498 7796712 V37N-G36HA3-V37H 119.008 3.957 7.501 9394157 V37N-HA-H 119.004 4.339 7.500 22438564 V37N-HB-H 118.993 1.561 7.502 38155240 V37N-QG1-H 118.982 0.782 7.499 13268927 V37N-QG2-H 118.992 0.627 7.502 34306632 S38N-V37HA-S38H 121.913 4.341 7.903 85662920 S38N-V37HB-S38H 121.881 1.556 7.902 13831164 S38N-V37QG1-S38H 121.908 0.783 7.904 22766950 S38N-V37QG2-S38H 121.898 0.625 7.902 9982740 S38N-HA-H 121.917 4.899 7.905 17139908 S38N-HB2-H 121.911 3.918 7.903 23513434 S38N-P39HD3-S38H 121.932 3.973 7.903 13408061 S38N-M41QB-S38H 121.908 2.200 7.903 23138368 E40N-S38HB3-E40H 116.496 4.275 8.490 14002664 E40N-P39HA-E40H 116.489 4.359 8.492 8077838 E40N-P39HB3-E40H 116.507 2.445 8.501 8831418 E40N-P39HD2-E40H 116.492 3.863 8.493 15551326 E40N-P39QG-E40H 116.493 2.152 8.493 10523334 E40N-HA-H 116.507 4.162 8.496 31115390 E40N-HB3-H 116.508 2.044 8.494 47542504 E40N-QG-H 116.496 2.304 8.496 18476782 E40N-M41H-E40H 116.508 7.693 8.496 49145264 M41N-E40H-M41H 119.206 8.503 7.687 51569888 M41N-E40HA-M41H 119.208 4.163 7.693 11620616 M41N-E40HB2-M41H 119.215 1.961 7.688 14875336 M41N-E40HB3-M41H 119.236 2.050 7.688 10745897 M41N-HG2-H 119.208 2.674 7.690 19174086 M41N-HG3-H 119.234 2.568 7.686 12252808 M41N-QB-H 119.208 2.195 7.687 49830208 M41N-A42H-M41H 119.208 8.272 7.687 56200088 A42N-V37HB-A42H 121.787 1.584 8.270 8245464 A42N-V37QG1-A42H 121.781 0.781 8.268 25704014 A42N-P39HA-A42H 121.821 4.365 8.273 15888846 A42N-M41H-A42H 121.788 7.692 8.271 51926172 A42N-M41QB-A42H 121.790 2.223 8.272 22988594 A42N-HA-H 121.789 4.143 8.270 32777378 A42N-QB-H 121.784 1.419 8.271 101964824 A42N-E43H-A42H 121.785 7.811 8.271 30621610 E43N-A42H-E43H 115.021 8.273 7.810 21512054 E43N-A42HA-E43H 115.006 4.147 7.809 16561037 E43N-A42QB-E43H 115.034 1.419 7.811 24686710 E43N-HA-H 115.026 4.325 7.809 18570940 E43N-HB2-H 115.029 2.167 7.810 20117226 E43N-HB3-H 115.017 2.094 7.810 30623410 E43N-HG3-H 114.993 2.417 7.808 8153220 K44N-M41HA-K44H 117.576 4.263 7.765 11981164 K44N-E43HB2-K44H 117.574 2.172 7.767 17953142 K44N-E43HB3-K44H 117.560 2.097 7.768 15653477 K44N-HG2-H 117.556 1.575 7.765 12445461 K44N-HG3-H 117.598 1.496 7.770 16234627 K44N-QB-H 117.569 1.925 7.766 49926144 K44N-E45H-K44H 117.574 8.114 7.766 62629836 E45N-K44H-E45H 118.156 7.767 8.109 62372272 E45N-K44HA-E45H 118.169 4.343 8.109 17374580 E45N-HA-H 118.163 4.635 8.110 25278090 E45N-HB2-H 118.152 2.137 8.109 10630993 E45N-HB3-H 118.155 1.964 8.109 24453232 E45N-QG-H 118.162 2.285 8.109 20227996 E45N-D46H-E45H 118.152 8.469 8.108 14774666 E45N-D46HA-E45H 118.131 4.785 8.110 8460026 D46N-E45H-D46H 121.498 8.118 8.460 9638089 D46N-E45HA-D46H 121.511 4.634 8.462 67253592 D46N-E45HB2-D46H 121.517 2.134 8.463 20510680 D46N-E45HB3-D46H 121.510 1.980 8.460 10792972 D46N-E45QG-D46H 121.536 2.286 8.459 9878687 D46N-HA-H 121.539 4.780 8.457 23611500 D46N-QB-H 121.511 2.499 8.463 49512504 Y47N-D46HA-Y47H 124.586 4.788 9.082 2595999 Y47N-D46QB-Y47H 124.603 2.501 9.083 662833 Y47N-HA-H 124.568 4.554 9.082 1363470 Y47N-HB2-H 124.537 2.942 9.082 980968 Y47N-HB3-H 124.594 2.737 9.080 1299182 I48N-Y47HA-I48H 127.906 4.555 7.330 110184936 I48N-Y47HB2-I48H 127.908 2.948 7.330 9835918 I48N-Y47HB3-I48H 127.983 2.725 7.331 386546 I48N-Y47QD-I48H 127.862 6.745 7.332 14229611 I48N-HA-H 127.911 4.467 7.329 21894470 I48N-HB-H 127.906 1.479 7.330 44425336 I48N-HG12-H 127.923 1.270 7.335 7165637 I48N-HG13-H 127.898 0.902 7.330 19916258 C49N-I48HA-C49H 130.076 4.472 9.258 87844952 C49N-I48QG2-C49H 130.066 0.677 9.258 34509376 C49N-HA-H 130.062 4.172 9.257 19256032 C49N-HB2-H 130.075 3.098 9.256 13938454 C49N-HB3-H 130.069 2.492 9.258 40682088 C49N-C52HB3-C49H 130.060 2.835 9.257 13556787 V50N-C49HA-V50H 116.037 4.170 7.886 50062828 V50N-C49HB2-V50H 116.012 3.109 7.886 31888074 V50N-C49HB3-V50H 116.005 2.486 7.881 6974982 V50N-HB-H 116.039 2.161 7.886 39852724 V50N-R51H-V50H 115.923 8.257 7.884 25245114 R51N-C49HB2-R51H 121.804 3.105 8.255 9513024 R51N-V50H-R51H 121.765 7.892 8.254 33701060 R51N-V50HA-R51H 121.797 3.802 8.254 10383704 R51N-HA-H 121.780 4.251 8.258 45773172 R51N-HB2-H 121.776 2.105 8.255 54561188 R51N-HB3-H 121.786 1.991 8.252 25333898 R51N-HG2-H 121.785 1.712 8.253 13013870 R51N-HG3-H 121.772 1.868 8.254 24120864 R51N-QD-H 121.751 3.314 8.253 12851364 R51N-C52H-R51H 121.773 8.680 8.254 70455608 C52N-R51H-C52H 123.640 8.254 8.675 61400912 C52N-R51HA-C52H 123.623 4.244 8.675 7128262 C52N-R51HB2-C52H 123.653 2.103 8.676 19081110 C52N-R51HB3-C52H 123.601 1.986 8.673 12712840 C52N-R51QD-C52H 123.669 3.274 8.678 7008744 C52N-HA-H 123.645 4.025 8.679 24504432 C52N-HB2-H 123.636 3.184 8.675 14380897 C52N-HB3-H 123.642 2.844 8.677 43233440 C52N-T53H-C52H 123.643 7.888 8.678 46022144 T53N-I48QG2-T53H 115.775 0.676 7.884 22659652 T53N-C52H-T53H 115.762 8.680 7.884 41871340 T53N-C52HB2-T53H 115.833 3.175 7.885 9077326 T53N-C52HB3-T53H 115.789 2.852 7.884 11709342 T53N-HA-H 115.766 3.864 7.884 35165284 T53N-HB-H 115.772 4.123 7.884 48662056 T53N-QG2-H 115.779 1.137 7.882 24631910 T53N-V54H-T53H 115.788 7.576 7.882 27038898 V54N-V50HA-V54H 120.851 3.808 7.568 6452577 V54N-R51HA-V54H 120.875 4.218 7.574 10408274 V54N-C52H-V54H 120.842 8.665 7.576 4518578 V54N-T53H-V54H 120.877 7.886 7.573 28949768 V54N-T53HA-V54H 120.863 3.866 7.573 84711776 V54N-T53HB-V54H 120.866 4.122 7.572 26591220 V54N-T53QG2-V54H 120.873 1.134 7.574 31103946 V54N-HA-H 120.866 4.024 7.573 49328264 V54N-HB-H 120.863 2.119 7.573 60775380 V54N-QG1-H 120.849 0.951 7.575 23419464 V54N-QG2-H 120.864 1.006 7.573 76158680 V54N-K55H-V54H 120.864 8.137 7.572 37727540 K55N-V54H-K55H 123.085 7.576 8.134 47192456 K55N-V54HB-K55H 123.084 2.119 8.133 32083980 K55N-V54QG1-K55H 123.083 0.948 8.134 22620428 K55N-V54QG1-K55H 123.083 0.948 8.134 22620428 K55N-V54QG2-K55H 123.074 1.006 8.135 15000359 K55N-HA-H 123.089 4.216 8.135 48315840 K55N-QB-H 123.086 1.797 8.134 81527688 K55N-D56H-K55H 123.081 8.309 8.133 35635868 D56N-T53HA-D56H 119.585 3.875 8.308 5239260 D56N-K55H-D56H 119.577 8.136 8.303 26844344 D56N-K55HA-D56H 119.561 4.215 8.305 51806924 D56N-K55HG3-D56H 119.577 1.467 8.297 9263406 D56N-K55QB-D56H 119.553 1.797 8.307 25944072 D56N-HA-H 119.569 4.590 8.301 38366008 D56N-HB2-H 119.573 2.631 8.305 45595720 D56N-HB3-H 119.554 2.700 8.308 19923918 D56N-A57H-D56H 119.578 7.900 8.305 22011132 A57N-D56H-A57H 124.673 8.307 7.895 29097608 A57N-D56HA-A57H 124.679 4.591 7.898 55829784 A57N-D56HB2-A57H 124.675 2.629 7.902 10590455 A57N-D56HB3-A57H 124.674 2.700 7.899 13272115 A57N-QB-H 124.677 1.390 7.898 87278800 A57N-P58HD2-A57H 124.689 3.798 7.897 13058662 A57N-P58HD3-A57H 124.692 3.664 7.902 8798934 S59N-QB-H 115.422 3.896 8.322 17530940 R60N-HB3-H 123.499 1.776 8.301 6028086 K61N-R60HA-K61H 127.923 4.393 7.973 49846660 K61N-HA-H 127.923 4.166 7.963 16955768 K61N-QG-H 127.987 1.402 7.972 8201527 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 N 1 29 . . . 19328 1 2 H 1 H 2 11.5 . . . 19328 1 3 H 1 HN 1 14 . . . 19328 1 stop_ save_ save_NUS_Cnoesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode NUS_Cnoesy _Spectral_peak_list.Entry_ID 19328 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_HR7375C.005 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic NUS' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details 'combined NUS Cnoesy_ali and aro peak lists' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 31.607 7.184 2.364 12639962 ?-?-? 18.615 8.356 1.410 7799100 ?-?-? 11.967 2.496 0.653 8465009 ?-?-? 29.049 1.902 1.661 35069540 A1H-H-H 17.800 7.499 0.338 25786552 A1H-H-H 18.483 6.767 1.413 13554694 A1H-H-H 18.491 4.351 1.410 20088926 A1H-H-H 18.886 1.871 0.463 39954204 A1H-H-H 18.898 2.715 0.462 18787228 A1H-H-H 19.989 4.069 1.032 48308784 A1H-H-H 19.989 1.891 1.032 27162734 A1H-H-H 20.265 8.539 1.518 66544528 A1H-H-H 20.804 3.790 1.053 47050380 A1H-H-H 20.841 8.249 1.063 16661410 A1H-H-H 20.857 2.149 1.038 89184952 A1H-H-H 20.857 2.118 1.004 79343440 A1H-H-H 20.901 4.072 1.027 52301164 A1H-H-H 20.934 7.882 1.071 46163768 A1H-H-H 21.667 1.888 0.533 43458256 A1H-H-H 24.600 2.993 1.427 9214489 A1H-H-H 24.606 1.780 1.453 39742860 A1H-H-H 24.627 4.206 1.432 15253229 A1H-H-H 24.627 1.669 1.458 68801776 A1H-H-H 24.751 1.798 1.406 36869940 A1H-H-H 25.274 7.770 1.506 605491 A1H-H-H 25.479 4.078 0.877 25454692 A1H-H-H 26.872 1.671 1.135 39004460 A1H-H-H 26.924 2.993 1.131 7554114 A1H-H-H 27.172 0.865 1.900 29226952 A1H-H-H 27.230 0.658 1.260 34277652 A1H-H-H 27.242 0.659 0.897 39898364 A1H-H-H 27.834 2.319 2.088 18398566 A1H-H-H 27.834 2.235 2.083 41255224 A1H-H-H 27.851 3.867 2.069 9510591 A1H-H-H 29.138 3.018 1.718 18939282 A1H-H-H 29.512 1.516 3.124 19948518 A1H-H-H 29.843 1.026 2.984 10790794 A1H-H-H 29.888 1.022 4.527 9335616 A1H-H-H 30.264 7.807 2.159 13349429 A1H-H-H 30.273 7.806 2.097 17911066 A1H-H-H 30.538 7.388 3.082 9065523 A1H-H-H 30.662 7.395 2.746 6851980 A1H-H-H 31.600 0.879 2.155 5486447 A1H-H-H 31.665 1.035 2.151 122385280 A1H-H-H 31.883 8.494 1.948 16385236 A1H-H-H 31.976 2.129 1.954 173928768 A1H-H-H 32.014 8.382 1.866 25586592 A1H-H-H 32.014 8.382 1.866 25586592 A1H-H-H 32.014 8.382 1.866 25586592 A1H-H-H 32.059 8.377 2.010 17812992 A1H-H-H 32.206 2.186 2.550 19019182 A1H-H-H 32.252 2.180 2.665 15305642 A1H-H-H 32.319 2.235 2.668 32634684 A1H-H-H 32.740 4.483 0.580 8135934 A1H-H-H 33.174 1.429 1.789 23765114 A1H-H-H 33.304 4.253 2.208 16198639 A1H-H-H 33.677 1.705 1.823 671821056 A1H-H-H 34.136 7.390 3.128 11432540 A1H-H-H 34.139 7.387 3.681 15504231 A1H-H-H 35.119 6.763 1.729 6582012 A1H-H-H 35.148 3.519 1.854 10971753 A1H-H-H 35.154 6.771 1.856 13872461 A1H-H-H 35.307 2.082 2.332 41331872 A1H-H-H 35.359 2.081 2.236 53681384 A1H-H-H 35.630 4.364 2.548 7082034 A1H-H-H 35.793 4.366 2.221 26520460 A1H-H-H 35.793 4.366 2.221 26520460 A1H-H-H 35.865 2.133 2.279 198516176 A1H-H-H 35.865 2.133 2.279 198516176 A1H-H-H 35.999 1.964 2.281 72606320 A1H-H-H 36.000 1.883 2.289 12143963 A1H-H-H 36.000 1.905 2.218 25744422 A1H-H-H 36.026 8.385 2.217 10128536 A1H-H-H 36.087 4.342 2.295 13268197 A1H-H-H 36.216 8.377 2.297 10096850 A1H-H-H 36.372 8.364 2.305 8373650 A1H-H-H 38.364 0.668 1.471 63773640 A1H-H-H 39.572 6.744 2.719 8990018 A1H-H-H 39.800 2.730 2.715 406275232 A1H-H-H 41.196 2.614 2.613 1380678144 A1H-H-H 41.503 0.870 1.574 34019196 A1H-H-H 41.507 0.871 1.652 28658792 A1H-H-H 41.516 1.028 1.656 10150791 A1H-H-H 41.526 1.033 1.579 9719250 A1H-H-H 42.000 1.724 3.005 12148584 A1H-H-H 42.100 1.467 3.003 18203068 A1H-H-H 42.494 6.738 2.713 9385475 A1H-H-H 43.674 0.672 3.710 10647352 A1H-H-H 44.695 8.360 4.325 17661812 A1H-H-H 46.900 7.534 3.838 21800008 A1H-H-H 46.900 7.523 3.954 20373212 A1H-H-H 50.932 1.652 2.851 10896998 A1H-H-H 53.262 8.531 4.489 58148564 A1H-H-H 55.578 8.359 4.360 51307456 A1H-H-H 57.100 7.390 4.956 11210391 A1H-H-H 57.157 2.976 4.213 22156864 A1H-H-H 57.200 1.442 4.209 7341297 A1H-H-H 57.406 1.848 5.648 8920528 A1H-H-H 57.454 2.319 4.330 10787994 A1H-H-H 57.509 8.104 4.339 11134859 A1H-H-H 57.632 1.709 4.163 12884566 A1H-H-H 58.937 2.100 4.237 23034452 A1H-H-H 58.955 1.047 4.237 8300661 A1H-H-H 60.894 3.938 4.183 61067608 A1H-H-H 62.463 0.874 4.084 37679668 A1H-H-H 62.472 3.155 4.083 26470968 A1H-H-H 63.217 3.840 4.013 21729896 A1H-H-H 63.243 8.128 4.015 57816100 A1H-H-H 63.579 4.183 3.936 66596612 A1H-H-H 63.608 8.856 3.934 26056646 A1H-H-H 63.845 8.318 3.882 14630380 A1H-H-H 64.400 1.027 4.070 105619008 A1H-H-H 65.198 4.029 3.859 9542685 A1H-H-H 65.377 1.057 3.792 50360172 A1H-H-H 65.387 7.879 3.792 31934712 A1H-H-H 58.128 3.149 5.260 7403870 A1H-H-H 29.483 3.413 3.158 8871296 A1H-H-H 29.857 3.159 2.981 11644845 A1H-H-H 29.475 4.535 3.109 8489566 A1H-H-H 57.487 7.759 4.335 22054596 A1H-H-H 57.497 7.798 4.326 14401885 A1H-H-H 29.065 1.424 1.657 93128032 A1H-H-H 26.997 1.768 1.649 161755312 A1H-H-H 20.875 7.885 1.049 36885388 A1H-H-H 21.618 1.041 0.528 11388053 A1H-H-H 22.100 7.499 0.620 22029840 A1H-H-H 41.965 1.799 3.009 10034085 A1H-H-H 58.259 8.300 4.420 9736556 A1H-H-H 22.661 7.512 0.733 9200995 A1H-H-H 21.494 1.871 0.774 17639632 A1H-H-H 20.843 4.233 1.002 16353645 H2CB-HB2-HB3 30.295 3.051 3.287 16897490 H2CB-HB3-HB2 30.237 3.290 3.057 15589674 M3CA-HA-HA 55.582 5.211 5.212 335223072 M3CA-HB2-HA 55.558 2.025 5.217 8751459 M3CA-HB3-HA 55.574 2.235 5.213 16616734 M3CA-QG-HA 55.585 2.663 5.210 14310547 M3CA-C4H-M3HA 55.585 9.799 5.212 31390758 M3CB-H-HB2 34.475 8.447 2.020 6924334 M3CB-HA-HB2 34.543 5.211 2.026 8609681 M3CB-HA-HB3 34.521 5.210 2.239 8656544 M3CB-HB2-HB3 34.571 2.029 2.237 49666812 M3CB-HB3-HB2 34.542 2.228 2.021 41920440 M3CB-QG-HB2 34.585 2.665 2.022 12098318 M3CB-QG-HB3 34.533 2.667 2.229 10531179 M3CG-HA-QG 32.403 5.212 2.670 15541195 M3CG-HB2-QG 32.312 2.031 2.666 14298534 C4CA-HB2-HA 57.099 1.853 5.238 3944377 C4CA-HB3-HA 56.949 3.465 5.231 14600518 C4CA-P5HD2-C4HA 56.995 3.028 5.232 16032555 C4CA-P5HD3-C4HA 56.984 3.820 5.232 38031708 C4CB-HA-HB2 30.228 5.245 1.858 -196350 C4CB-HA-HB3 30.241 5.249 3.481 -1087007 C4CB-HB3-HB3 30.068 3.495 3.496 23128764 P5CB-HA-HB2 30.105 4.762 2.220 25089380 P5CB-HA-HB3 30.147 4.764 2.054 11984639 P5CB-HB2-HB3 30.100 2.219 2.047 98679664 P5CB-HB3-HB2 30.090 2.049 2.219 100659832 P5CB-HG2-HB3 30.064 1.150 2.058 16126398 P5CB-HG3-HB2 30.103 1.663 2.221 12328752 P5CB-HG3-HB3 30.100 1.678 2.059 6662257 P5CD-C4HA-P5HD3 50.816 5.232 3.823 32109884 P5CD-HD2-HD3 50.832 3.023 3.823 37178556 P5CD-HD3-HD2 50.825 3.825 3.027 23824030 P5CD-HG3-HD3 50.832 1.670 3.824 11990742 P5CG-HB2-HG3 26.856 2.217 1.666 13641077 P5CG-HB3-HG3 26.773 2.063 1.667 10155360 P5CG-HD2-HG3 26.747 3.022 1.663 7995666 P5CG-HD3-HG2 26.802 3.825 1.138 6340830 P5CG-HG2-HG3 26.818 1.140 1.666 37584604 A6CA-QB-HA 53.249 1.519 4.489 60273032 A6CA-F30QE-A6HA 53.284 7.185 4.489 11750793 A6CB-HA-QB 20.261 4.489 1.517 58427532 A6CB-S8H-A6QB 20.232 7.892 1.516 13819829 A6CB-C9HA-A6QB 20.238 5.269 1.522 18897314 A6CB-C9HB2-A6QB 20.226 3.401 1.519 14013116 A6CB-F30QD-A6QB 20.262 7.370 1.516 19793670 A6CB-F30QE-A6QB 20.249 7.206 1.519 10740458 A6CB-C34HB2-A6QB 20.224 3.162 1.518 34354012 A6CB-C34HB2-A6QB 20.224 3.123 1.516 22113852 A6CB-V35QG1-A6QB 20.241 0.727 1.519 37697572 V7CA-H-HA 66.243 8.523 3.728 18299754 V7CA-HB-HA 66.204 2.057 3.729 18928134 V7CA-QG1-HA 66.223 1.024 3.730 38725736 V7CA-QG2-HA 66.226 1.151 3.729 49446840 V7CA-S8H-V7HA 66.220 7.886 3.729 18927418 V7CB-H-HB 31.295 8.524 2.056 22168538 V7CB-HA-HB 31.358 3.717 2.051 11911358 V7CB-QG1-HB 31.294 1.023 2.056 39603776 V7CB-QG2-HB 31.283 1.152 2.055 43623404 V7CB-S8H-V7HB 31.233 7.892 2.056 15728748 V7CG1-H-QG1 20.994 8.532 1.026 19542254 V7CG1-HA-QG1 20.910 3.726 1.024 46764312 V7CG1-HB-QG1 20.885 2.052 1.024 71758200 V7CG1-QG2-QG1 20.875 1.147 1.024 199766880 V7CG2-H-QG2 22.214 8.526 1.152 48126664 V7CG2-HA-QG2 22.239 3.730 1.152 45704972 V7CG2-HB-QG2 22.236 2.056 1.150 45388476 V7CG2-QG1-QG2 22.206 1.031 1.148 96141328 V7CG2-S8H-V7QG2 22.254 7.892 1.152 8048435 S8CA-H-HA 56.740 7.888 4.553 16200017 S8CA-HB2-HA 56.617 3.716 4.549 18764226 S8CA-HB3-HA 56.600 3.828 4.549 23698070 S8CA-C9H-S8HA 56.657 8.302 4.550 29396916 S8CB-H-HB2 63.280 7.888 3.711 11451290 S8CB-H-HB3 63.280 7.899 3.823 9351971 S8CB-HA-HB2 63.238 4.544 3.712 28597682 S8CB-HA-HB3 63.280 4.536 3.831 15862488 S8CB-HB2-HB3 63.253 3.713 3.827 320802688 S8CB-HB3-HB2 63.280 3.823 3.711 332157024 C9CA-A6QB-C9HA 58.169 1.514 5.262 17071430 C9CA-H-HA 58.145 8.313 5.263 6139051 C9CA-HB2-HA 58.138 3.397 5.261 16597537 C9CA-HB3-HA 58.131 3.011 5.254 7583119 C9CA-L10H-C9HA 58.171 10.172 5.262 33780512 C9CB-H-HB2 29.481 8.307 3.394 15733931 C9CB-H-HB3 29.485 8.304 3.000 12593169 C9CB-HA-HB2 29.468 5.264 3.395 14025198 C9CB-HA-HB3 29.380 5.271 3.000 6506197 C9CB-HB2-HB3 29.465 3.393 3.001 86138104 C9CB-HB3-HB2 29.461 2.999 3.394 92687336 L10CA-H-HA 55.805 10.180 4.176 10997657 L10CA-HB2-HA 55.784 1.654 4.179 13921296 L10CA-HB3-HA 55.816 1.570 4.178 33935712 L10CA-HG-HA 55.770 1.894 4.179 13509956 L10CA-QD2-HA 55.810 0.849 4.177 80198272 L10CB-HA-HB2 41.474 4.173 1.653 13563277 L10CB-HA-HB3 41.490 4.177 1.575 18180258 L10CB-HB2-HB3 41.534 1.652 1.575 160139840 L10CB-HB3-HB2 41.536 1.576 1.652 164593296 L10CB-HG-HB2 41.487 1.892 1.659 22103372 L10CB-HG-HB3 41.490 1.891 1.572 12557185 L10CD1-HB2-QD1 25.450 1.648 0.872 32996512 L10CD1-HB3-QD1 25.461 1.577 0.876 33971148 L10CD1-HG-QD1 25.487 1.900 0.874 38320036 L10CD1-V33HB-L10QD1 25.425 2.142 0.875 12979873 L10CD2-HA-QD2 22.191 4.177 0.848 62974000 L10CD2-HB2-QD2 22.175 1.675 0.851 10999362 L10CD2-HB3-QD2 22.178 1.577 0.846 28722272 L10CD2-HG-QD2 22.227 1.894 0.848 43229904 L10CG-H-HG 27.191 10.160 1.918 6335247 L10CG-HB2-HG 27.130 1.655 1.912 31681156 L10CG-C34HA-L10HG 27.189 4.084 1.903 8507813 Q11CA-H-HA 55.494 9.851 3.869 20408938 Q11CA-HB2-HA 55.476 2.056 3.869 17940226 Q11CA-HG2-HA 55.462 2.242 3.867 7636790 Q11CA-P12HD2-Q11HA 55.443 2.560 3.869 14262870 Q11CA-P12HD3-Q11HA 55.395 2.865 3.867 8187146 Q11CG-H-HG2 35.439 9.848 2.237 9379762 Q11CG-H-HG3 35.347 9.858 2.330 7748437 Q11CG-HA-HG2 35.370 3.859 2.237 10702445 Q11CG-HA-HG3 35.354 3.864 2.329 9996858 Q11CG-HE21-HG2 35.455 7.620 2.240 6035490 Q11CG-HE21-HG3 35.358 7.625 2.331 8949226 Q11CG-HG2-HG3 35.297 2.238 2.332 190139616 Q11CG-HG3-HG2 35.321 2.330 2.237 199979520 P12CA-HB2-HA 62.710 1.665 4.234 27642064 P12CA-HB3-HA 62.716 1.891 4.234 54061596 P12CA-E13H-P12HA 62.714 8.383 4.234 123024504 P12CB-HA-HB2 31.359 4.232 1.667 16766806 P12CB-HA-HB3 31.324 4.236 1.892 32152254 P12CB-HB2-HB3 31.282 1.667 1.894 100491208 P12CB-HB3-HB2 31.330 1.893 1.664 101372632 P12CB-HG2-HB2 31.390 0.984 1.666 12832553 P12CB-HG2-HB3 31.346 0.982 1.883 8233420 P12CB-HG3-HB2 31.332 1.129 1.663 17671002 P12CB-HG3-HB3 31.200 1.130 1.892 17658636 P12CB-E13H-P12HB2 31.375 8.383 1.670 8696897 P12CB-V17QG2-P12HB2 31.313 0.617 1.674 6625775 P12CD-Q11H-P12HD2 50.932 9.861 2.568 8018698 P12CD-Q11H-P12HD3 50.988 9.848 2.852 11042886 P12CD-Q11HA-P12HD2 50.962 3.869 2.567 27422588 P12CD-Q11HA-P12HD3 50.948 3.867 2.854 12924386 P12CD-HB3-HD3 50.940 1.894 2.851 11709578 P12CD-HD2-HD3 50.949 2.565 2.852 86187936 P12CD-HD3-HD2 50.950 2.852 2.565 94957496 P12CD-HG2-HD2 50.987 0.984 2.565 16754404 P12CD-HG2-HD3 50.917 0.978 2.852 7729093 P12CD-HG3-HD2 50.934 1.128 2.566 13136537 P12CD-HG3-HD3 50.960 1.127 2.851 19435638 P12CD-V33QG2-P12HD3 50.917 1.023 2.852 14018217 P12CG-HB2-HG2 26.897 1.666 0.982 13042409 P12CG-HB3-HG2 26.892 1.897 0.984 6164621 P12CG-HB3-HG3 26.942 1.887 1.128 14660486 P12CG-HD2-HG2 26.960 2.562 0.972 7022350 P12CG-HD2-HG3 27.105 2.569 1.124 10353918 P12CG-HD3-HG3 27.110 2.855 1.123 8645158 P12CG-HG2-HG3 26.962 0.983 1.131 87933176 P12CG-HG3-HG2 26.952 1.129 0.980 92657104 E13CA-HB2-HA 55.555 2.007 4.359 30589172 E13CA-HB3-HA 55.537 1.864 4.357 20296846 E13CA-HG2-HA 55.593 2.216 4.359 13858613 E13CB-HA-HB2 32.116 4.364 2.012 16057099 E13CB-HA-HB3 32.115 4.373 1.882 10718242 E13CB-HB2-HB3 32.059 2.007 1.863 171355664 E13CB-HB3-HB2 32.068 1.866 2.013 154863616 E13CB-HG2-HB2 32.100 2.245 2.009 9280457 E13CB-HG3-HB3 32.051 2.285 1.869 19131412 E13CG-HB2-HG2 36.037 2.022 2.220 48050896 G14CA-H-HA2 44.712 8.356 3.826 26218176 G14CA-HA2-HA3 44.712 3.832 4.322 151222640 G14CA-HA3-HA2 44.715 4.321 3.826 154548624 G14CA-D15H-G14HA2 44.739 8.507 3.828 12446636 G14CA-D15H-G14HA3 44.704 8.511 4.320 15267297 D15CA-H-HA 55.259 8.512 4.676 10246346 D15CA-HB2-HA 55.450 2.812 4.680 30204782 D15CA-HB3-HA 55.477 2.623 4.683 16449508 D15CB-H-HB3 41.313 8.510 2.609 14972046 D15CB-HA-HB2 41.369 4.681 2.813 24509842 D15CB-HA-HB3 41.312 4.682 2.610 9934251 D15CB-HB2-HB3 41.369 2.805 2.606 119422704 D15CB-HB3-HB2 41.348 2.615 2.820 109217576 D15CB-E16H-D15HB3 41.321 8.387 2.611 9027810 E16CA-H-HA 55.558 8.385 4.549 12655617 E16CA-HB2-HA 55.475 2.115 4.550 18220852 E16CA-HB3-HA 55.511 1.900 4.548 10909437 E16CA-QG-HA 55.544 2.209 4.550 12606278 E16CA-V17H-E16HA 55.520 7.506 4.550 28645852 E16CB-HA-HB2 29.236 4.560 2.124 13802340 E16CB-HB3-HB2 29.183 1.895 2.129 54874880 E16CB-QG-HB2 29.249 2.210 2.122 65527408 E16CG-HA-QG 36.166 4.553 2.208 16734213 E16CG-HB2-QG 36.000 2.118 2.218 96668552 V17CA-H-HA 61.651 7.506 3.956 12166504 V17CA-HB-HA 61.597 1.897 3.954 12070481 V17CA-QG1-HA 61.565 0.531 3.953 19907996 V17CA-QG2-HA 61.588 0.579 3.954 20998002 V17CA-D18H-V17HA 61.568 7.869 3.954 68909120 V17CB-H-HB 33.276 7.502 1.894 14505559 V17CB-HA-HB 33.269 3.952 1.898 10929849 V17CB-QG1-HB 33.276 0.534 1.897 27045794 V17CB-QG2-HB 33.273 0.579 1.896 30703850 V17CB-D18H-V17HB 33.278 7.882 1.898 7188756 V17CG1-P12HB2-V17QG1 21.652 1.662 0.530 11596820 V17CG1-HA-QG1 21.618 3.958 0.533 21091246 V17CG1-D18H-V17QG1 21.750 7.875 0.537 10783163 V17CG2-P12HB2-V17QG2 20.749 1.667 0.580 18540138 V17CG2-E16H-V17QG2 20.722 8.361 0.578 8586345 V17CG2-H-QG2 20.772 7.504 0.579 30482558 V17CG2-HA-QG2 20.786 3.948 0.579 27197632 V17CG2-HB-QG2 20.758 1.902 0.580 50892272 V17CG2-W19HE1-V17QG2 20.813 10.191 0.577 7262648 D18CA-H-HA 54.275 7.869 5.134 16433345 D18CA-HB2-HA 54.200 2.711 5.133 28138972 D18CA-HB3-HA 54.200 2.385 5.133 8474360 D18CA-W19H-D18HA 54.255 9.522 5.134 61801984 D18CB-H-HB2 42.300 7.886 2.713 7985789 D18CB-H-HB3 42.478 7.869 2.385 23820218 D18CB-HA-HB2 42.486 5.130 2.722 13567979 D18CB-HA-HB3 42.529 5.129 2.388 8209376 D18CB-HB2-HB3 42.533 2.712 2.384 95541552 D18CB-HB3-HB2 42.554 2.386 2.715 88461320 D18CB-HB3-HB2 42.554 2.386 2.715 88461320 D18CB-Q32HB2-D18HB2 42.455 2.452 2.707 7253732 W19CA-H-HA 57.329 9.514 5.642 6429340 W19CA-HA-HA 57.262 5.640 5.640 307904576 W19CA-HB2-HA 57.283 3.685 5.638 14248811 W19CA-HB3-HA 57.230 3.142 5.648 7592585 W19CA-V20H-W19HA 57.262 10.255 5.640 42336232 W19CA-H31HA-W19HA 57.272 4.219 5.640 21943288 W19CA-Q32H-W19HA 57.282 8.396 5.640 19746626 W19CB-H-HB3 34.132 9.536 3.140 5759908 W19CB-HA-HB2 34.110 5.635 3.678 10206990 W19CB-HB2-HB3 34.139 3.679 3.126 50291748 W19CB-HB3-HB2 34.132 3.125 3.678 56570304 V20CB-HA-HB 35.227 4.796 1.872 19065142 V20CB-QG1-HB 35.230 0.466 1.868 38496436 V20CB-QG2-HB 35.242 0.959 1.870 35845404 V20CB-A42QB-V20HB 35.267 1.403 1.868 11537644 V20CG1-H-QG1 18.895 10.252 0.466 21584612 V20CG1-HA-QG1 18.920 4.805 0.461 11342672 V20CG1-QG2-QG1 18.882 0.961 0.464 61931004 V20CG1-F30HB2-V20QG1 18.860 3.040 0.464 9354374 V20CG1-Q32HA-V20QG1 18.896 3.519 0.468 19459486 V20CG1-Q32HG2-V20QG1 18.933 1.718 0.463 11432497 V20CG1-V37HB-V20QG1 18.889 1.552 0.458 10291812 V20CG1-V37QG1-V20QG1 18.910 0.780 0.465 15244706 V20CG1-V37QG2-V20QG1 18.902 0.606 0.457 27933642 V20CG1-Y47QD-V20QG1 18.960 6.736 0.469 10064629 V20CG2-HA-QG2 22.064 4.795 0.958 23278302 V20CG2-HB-QG2 22.053 1.871 0.960 33200640 V20CG2-QG1-QG2 22.044 0.465 0.960 47047040 V20CG2-Q21H-V20QG2 22.039 8.519 0.956 11713939 V20CG2-V37QG1-V20QG2 22.104 0.781 0.957 18446338 V20CG2-A42QB-V20QG2 22.068 1.415 0.960 17828688 V20CG2-Y47HB2-V20QG2 22.055 2.956 0.963 11593323 V20CG2-Y47HB3-V20QG2 22.074 2.724 0.961 14647562 Q21CA-HB2-HA 53.587 1.219 4.478 8111564 Q21CA-HB3-HA 53.554 -0.774 4.478 11405125 Q21CA-HG2-HA 53.614 0.572 4.474 13938494 Q21CA-C22H-Q21HA 53.616 8.881 4.479 39215596 Q21CA-W29HA-Q21HA 53.555 4.957 4.479 29017332 Q21CA-F30QD-Q21HA 53.368 7.373 4.482 12278204 Q21CB-H-HB2 28.382 8.516 1.222 2235448 Q21CB-H-HB3 28.386 8.512 -0.769 7373622 Q21CB-HA-HB3 28.317 4.475 -0.763 11988211 Q21CB-HB2-HB3 28.320 1.219 -0.765 46146628 Q21CB-HB3-HB2 28.315 -0.766 1.208 18929050 Q21CB-HB3-HB3 28.325 -0.767 -0.766 92598176 Q21CB-HG2-HB3 28.375 0.578 -0.769 7829495 Q21CB-HG3-HB2 28.419 1.825 1.226 2647698 Q21CB-HG3-HB3 28.300 1.848 -0.771 6745869 Q21CG-HB2-HG2 32.751 1.234 0.583 9170666 Q21CG-HB2-HG3 32.756 1.209 1.829 11194409 Q21CG-HB3-HG2 32.730 -0.766 0.582 9987557 Q21CG-HB3-HG3 32.662 -0.761 1.829 7667121 Q21CG-HE21-HG2 32.718 6.651 0.582 13465453 Q21CG-HE21-HG3 32.786 6.643 1.835 9420584 Q21CG-HG2-HG3 32.737 0.579 1.833 60348344 Q21CG-HG3-HG2 32.739 1.832 0.582 58288712 C22CA-H-HA 60.585 8.878 4.490 10723650 C22CA-HB2-HA 60.581 3.288 4.497 6127772 C22CA-HB3-HA 60.578 3.053 4.499 10906133 C22CA-D23H-C22HA 60.579 9.830 4.499 43190548 C22CA-D23H-C22HA 60.579 9.830 4.499 43190548 C22CA-G24H-C22HA 60.563 10.035 4.499 8919084 C22CA-F30QE-C22HA 60.568 7.201 4.501 6744426 C22CA-Y47QD-C22HA 60.591 6.736 4.496 19708436 C22CB-H-HB2 31.326 8.879 3.289 26141456 C22CB-H-HB3 31.314 8.880 3.047 21591956 C22CB-HA-HB2 31.349 4.487 3.289 13642542 C22CB-HA-HB3 31.350 4.490 3.049 14189517 C22CB-HB2-HB3 31.320 3.288 3.051 86539952 C22CB-HB3-HB2 31.306 3.050 3.290 86552304 C22CB-Q28H-C22HB2 31.314 9.133 3.288 14587509 C22CB-F30QD-C22HB3 31.121 7.375 3.044 7502774 C22CB-F30QE-C22HB2 31.228 7.192 3.288 9673298 C22CB-F30QE-C22HB3 31.308 7.185 3.051 21406926 D23CB-HA-HB3 41.370 4.806 2.806 7002865 D23CB-HB2-HB3 41.305 2.360 2.808 20747686 D23CB-HB3-HB2 41.298 2.798 2.360 11175279 G24CA-H-HA2 43.673 10.035 3.709 34248828 G24CA-H-HA3 43.700 10.027 4.317 15763075 G24CA-HA2-HA3 43.700 3.699 4.317 104849488 G24CA-HA3-HA2 43.700 4.311 3.707 102702160 G24CA-S25H-G24HA2 43.682 8.856 3.706 21170710 G24CA-S25H-G24HA3 43.700 8.854 4.314 17917504 G24CA-I48QG2-G24HA3 43.692 0.659 4.312 10444186 G24CA-C52HB3-G24HA2 43.678 2.849 3.706 8439867 S25CA-H-HA 60.908 8.858 4.183 19935062 C26CA-H-HA 60.746 8.374 4.400 15044055 C26CA-HB2-HA 60.790 3.196 4.400 60157376 C26CA-HB3-HA 60.802 2.791 4.401 39183024 C26CB-H-HB3 29.563 8.373 2.792 21410440 C26CB-HA-HB2 29.587 4.400 3.198 44510764 C26CB-HA-HB3 29.550 4.399 2.792 35193572 C26CB-HB2-HB3 29.565 3.195 2.792 141175792 C26CB-HB3-HB2 29.600 2.809 3.191 115997608 C26CB-Q28HG2-C26HB2 29.579 2.534 3.199 15467814 C26CB-Q28HG3-C26HB2 29.574 2.221 3.197 9439814 N27CB-HA-HB2 39.490 4.825 2.712 12589309 N27CB-HA-HB3 39.447 4.805 3.069 17975888 N27CB-HB2-HB3 39.458 2.713 3.071 132517608 N27CB-HB2-HB3 39.458 2.713 3.071 132517608 N27CB-HB3-HB2 39.435 3.062 2.707 112289808 Q28CA-H-HA 57.032 9.132 4.367 12979811 Q28CA-HB2-HA 56.977 2.376 4.371 9391231 Q28CA-HB3-HA 56.982 1.747 4.368 19499922 Q28CA-HE21-HA 57.359 7.902 4.329 11772706 Q28CA-HG3-HA 57.027 2.226 4.368 18272098 Q28CA-W29H-Q28HA 57.007 8.310 4.368 49367184 Q28CA-W29H-Q28HA 57.007 8.310 4.368 49367184 Q28CB-H-HB2 31.462 9.133 2.369 17195840 Q28CB-HA-HB3 31.472 4.366 1.749 11909429 Q28CB-HB2-HB3 31.459 2.367 1.749 68113456 Q28CB-HB3-HB2 31.481 1.743 2.368 62783688 Q28CB-HG2-HB2 31.495 2.544 2.369 26480302 Q28CB-HG2-HB3 31.388 2.542 1.754 13808322 Q28CB-HG3-HB2 31.457 2.222 2.367 44838648 Q28CB-HG3-HB3 31.457 2.220 1.750 26159780 Q28CB-W29H-Q28HB3 31.438 8.314 1.748 12970820 Q28CG-C26HB2-Q28HG2 35.700 3.194 2.546 14106594 Q28CG-C26HB2-Q28HG3 35.728 3.185 2.223 9845799 Q28CG-H-HG2 35.720 9.135 2.542 13071935 Q28CG-H-HG3 35.729 9.141 2.222 8953187 Q28CG-HB2-HG2 35.654 2.374 2.543 31312462 Q28CG-HB3-HG2 35.717 1.741 2.544 15216544 Q28CG-HB3-HG3 35.709 1.737 2.223 21407862 Q28CG-HE21-HG2 35.673 7.900 2.544 6352390 Q28CG-HE21-HG3 35.797 7.872 2.221 5945836 Q28CG-HE22-HG2 35.675 6.929 2.549 6594930 Q28CG-HG2-HG3 35.713 2.541 2.221 102836648 Q28CG-HG3-HG2 35.679 2.221 2.546 100874504 W29CA-Q21HA-W29HA 57.137 4.478 4.956 29586080 W29CA-H-HA 57.107 8.307 4.953 13703484 W29CA-HA-HA 57.112 4.956 4.957 238740144 W29CA-HB2-HA 57.107 3.074 4.957 15552968 W29CA-HB3-HA 57.102 2.727 4.956 8207610 W29CA-F30H-W29HA 57.122 9.779 4.957 37089744 W29CB-H-HB2 30.519 8.307 3.079 6074564 W29CB-H-HB3 30.671 8.307 2.743 12995600 W29CB-HB2-HB3 30.669 3.068 2.748 34299156 W29CB-HB3-HB2 30.586 2.752 3.081 41602448 F30CA-HA-HA 56.400 4.836 4.830 24956592 F30CB-V20QG1-F30HB3 42.896 0.466 2.715 8627824 F30CB-H-HB3 43.109 9.778 2.716 6618558 F30CB-HA-HB2 43.057 4.820 3.035 9107980 F30CB-HB2-HB3 43.062 3.028 2.712 66160448 F30CB-HB3-HB2 43.091 2.714 3.037 75565176 F30CB-QD-HB2 43.090 7.372 3.035 21012634 F30CB-QD-HB3 42.952 7.374 2.713 14056794 F30CB-H31H-F30HB2 43.103 9.055 3.039 8120159 F30CB-V35HB-F30HB3 43.062 2.385 2.716 15283981 F30CB-V35QG1-F30HB2 43.033 0.726 3.034 12986028 F30CB-V35QG2-F30HB2 43.128 0.337 3.029 10552851 H31CA-W19HA-H31HA 57.138 5.635 4.221 20160460 H31CA-H-HA 57.104 9.033 4.217 9325780 H31CA-HB3-HA 57.115 4.514 4.220 12257265 H31CA-Q32H-H31HA 57.146 8.397 4.222 49778912 H31CB-P12HG3-H31HB2 29.721 1.131 2.988 6864744 H31CB-P12HG3-H31HB3 29.799 1.131 4.523 6202708 H31CB-HA-HB2 29.862 4.236 2.978 8454156 H31CB-HB2-HB3 29.855 2.976 4.527 46977400 H31CB-HB3-HB2 29.862 4.527 2.983 51729996 H31CB-C34H-H31HB2 29.984 6.899 2.983 8369479 H31CB-C34H-H31HB3 29.856 6.913 4.530 9523006 H31CB-C34HB2-H31HB3 29.814 3.187 4.524 7813067 H31CB-C34HB3-H31HB2 29.662 3.105 2.994 21632398 H31CB-C34HB3-H31HB3 29.969 3.141 4.528 7399536 Q32CA-V20QG1-Q32HA 60.624 0.466 3.513 28110306 Q32CA-H-HA 60.605 8.400 3.514 12298892 Q32CA-HB2-HA 60.598 2.476 3.514 15000775 Q32CA-HB3-HA 60.581 1.610 3.512 14399137 Q32CA-HG2-HA 60.605 1.728 3.512 18213354 Q32CA-HG3-HA 60.596 1.851 3.512 14853066 Q32CA-V35QG2-Q32HA 60.604 0.338 3.513 32970812 Q32CA-V37HB-Q32HA 60.554 1.558 3.513 11916633 Q32CA-V37QG2-Q32HA 60.615 0.611 3.510 11800878 Q32CB-H-HB3 26.869 8.399 1.632 11092018 Q32CB-HA-HB2 26.855 3.516 2.461 9207158 Q32CB-HA-HB3 26.820 3.515 1.615 10546202 Q32CB-HB2-HB3 26.885 2.460 1.621 54648048 Q32CB-HB3-HB2 26.861 1.618 2.465 52864052 Q32CB-HG2-HB2 26.838 1.718 2.467 13695054 Q32CB-HG3-HB2 26.853 1.873 2.464 6531714 Q32CB-HG3-HB3 26.997 1.872 1.612 16274916 Q32CG-V20QG1-Q32HG2 35.140 0.461 1.728 10727828 Q32CG-H-HG2 35.088 8.411 1.737 5258022 Q32CG-H-HG3 35.138 8.402 1.848 14686437 Q32CG-HA-HG2 35.148 3.517 1.731 8515672 Q32CG-HB2-HG2 35.214 2.480 1.725 12713965 Q32CG-HB2-HG3 35.160 2.467 1.855 13509122 Q32CG-HB3-HG2 35.119 1.615 1.725 20442254 Q32CG-HB3-HG3 35.144 1.630 1.854 14339656 Q32CG-HG2-HG3 35.159 1.731 1.852 95768144 Q32CG-HG3-HG2 35.148 1.850 1.727 84924336 V33CA-H-HA 64.418 8.832 4.070 19612706 V33CA-HB-HA 64.404 2.148 4.070 66860600 V33CA-G36HA3-V33HA 64.453 3.985 4.062 11638536 V33CB-L10QD1-V33HB 31.995 0.894 2.148 6312928 V33CB-H-HB 31.626 8.833 2.144 13879601 V33CB-HA-HB 31.576 4.070 2.149 46612600 V33CG1-H-QG1 20.920 8.832 1.025 39944884 V33CG1-C34H-V33QG1 20.890 6.902 1.023 24110556 V33CG2-L10HB2-V33QG2 20.056 1.630 1.034 12583155 V33CG2-L10HB3-V33QG2 19.944 1.554 1.028 6633024 V33CG2-H-QG2 19.944 8.831 1.031 28890262 V33CG2-HB-QG2 19.983 2.151 1.032 72280632 V33CG2-C34H-V33QG2 19.973 6.901 1.033 28035572 C34CA-L10HG-C34HA 62.500 1.888 4.085 9959156 C34CA-H-HA 62.435 6.899 4.083 15626376 C34CB-A6QB-C34HB2 29.508 1.518 3.163 28970854 C34CB-C9HA-C34HB2 29.455 5.255 3.165 6408693 C34CB-C9HB2-C34HB3 29.490 3.407 3.116 6211935 C34CB-H31HB2-C34HB2 29.569 3.018 3.188 11050144 C34CB-H31HB2-C34HB3 29.485 3.008 3.114 18970802 C34CB-H-HB2 29.497 6.901 3.162 17600762 C34CB-H-HB3 29.495 6.902 3.117 12174884 C34CB-HA-HB2 29.492 4.083 3.162 24628802 C34CB-HA-HB3 29.521 4.080 3.112 15906646 C34CB-V35H-C34HB2 29.473 7.125 3.161 6613991 C34CB-V35H-C34HB3 29.527 7.123 3.120 4656379 C34CB-V35HA-C34HB2 29.502 4.542 3.161 9559533 C34CB-V35QG1-C34HB2 29.494 0.746 3.164 11502302 C34CB-V35QG1-C34HB3 29.534 0.723 3.112 7549038 V35CA-H-HA 60.152 7.136 4.556 14213430 V35CA-HB-HA 60.128 2.358 4.552 31803336 V35CA-QG1-HA 60.149 0.730 4.553 29402528 V35CA-QG2-HA 60.150 0.342 4.554 9583059 V35CB-HA-HB 31.696 4.552 2.361 37308356 V35CB-QG1-HB 31.718 0.732 2.361 38657496 V35CB-QG2-HB 31.747 0.343 2.360 42752500 V35CG1-A6QB-V35QG1 22.670 1.521 0.731 33126766 V35CG1-F30HB2-V35QG1 22.635 3.032 0.730 22450052 V35CG1-F30QD-V35QG1 22.677 7.368 0.727 18889624 V35CG1-H-QG1 22.659 7.128 0.735 12310918 V35CG1-HA-QG1 22.662 4.553 0.729 33755884 V35CG1-HB-QG1 22.668 2.360 0.731 32297622 V35CG1-QG2-QG1 22.661 0.340 0.731 60108532 V35CG2-V20QG1-V35QG2 17.777 0.464 0.337 60447340 V35CG2-V20QG2-V35QG2 17.939 0.962 0.343 8117376 V35CG2-F30HB2-V35QG2 17.799 3.037 0.346 13115381 V35CG2-F30HB3-V35QG2 17.806 2.707 0.345 11041777 V35CG2-F30QD-V35QG2 17.913 7.385 0.358 9064978 V35CG2-Q32HA-V35QG2 17.797 3.512 0.338 39809204 V35CG2-H-QG2 17.796 7.131 0.338 57355216 V35CG2-HB-QG2 17.805 2.357 0.338 56606536 V35CG2-QG1-QG2 17.806 0.730 0.339 69217376 V35CG2-QG1-QG2 17.806 0.730 0.339 69217376 V35CG2-V37HB-V35QG2 17.827 1.549 0.339 17351206 V35CG2-V37QG1-V35QG2 17.805 0.775 0.341 27601130 V35CG2-V37QG2-V35QG2 17.796 0.619 0.337 69336960 G36CA-HA2-HA3 46.837 3.842 3.950 174663488 G36CA-HA3-HA2 46.831 3.950 3.840 150940240 V37CA-H-HA 60.841 7.500 4.334 12269769 V37CA-HB-HA 60.848 1.550 4.329 13815054 V37CA-QG1-HA 60.836 0.779 4.331 27741510 V37CA-QG2-HA 60.834 0.616 4.331 29212944 V37CA-S38H-V37HA 60.837 7.900 4.331 57949056 V37CA-M41QB-V37HA 60.871 2.179 4.330 10352209 V37CB-V35QG2-V37HB 34.066 0.341 1.554 12687213 V37CB-H-HB 34.109 7.498 1.554 19104048 V37CB-HA-HB 34.065 4.336 1.554 9580771 V37CB-HB-HB 34.073 1.554 1.554 347329760 V37CB-QG1-HB 34.094 0.778 1.556 32794874 V37CB-QG2-HB 34.098 0.619 1.556 31591022 V37CG1-V20QG1-V37QG1 21.526 0.466 0.774 30734708 V37CG1-Q32HG2-V37QG1 21.484 1.715 0.774 17102360 V37CG1-V35QG2-V37QG1 21.460 0.340 0.772 15864566 V37CG1-H-QG1 21.370 7.491 0.777 9995052 V37CG1-HA-QG1 21.516 4.333 0.778 27096350 V37CG1-HB-QG1 21.473 1.561 0.775 44666068 V37CG1-QG2-QG1 21.479 0.618 0.775 112194368 V37CG1-S38H-V37QG1 21.489 7.895 0.777 17756086 V37CG1-M41QB-V37QG1 21.557 2.225 0.776 14310650 V37CG1-M41QB-V37QG1 21.471 2.179 0.776 16872936 V37CG1-A42H-V37QG1 21.492 8.261 0.781 12492575 V37CG1-A42HA-V37QG1 21.564 4.124 0.773 11908382 V37CG1-A42QB-V37QG1 21.470 1.410 0.775 44443016 V37CG2-V20QG1-V37QG2 22.044 0.469 0.615 42712328 V37CG2-V35QG2-V37QG2 22.047 0.339 0.622 47971616 V37CG2-HA-QG2 22.068 4.333 0.621 25549040 V37CG2-HB-QG2 22.046 1.553 0.621 46886852 V37CG2-QG1-QG2 22.108 0.775 0.617 65047468 V37CG2-A42QB-V37QG2 22.104 1.421 0.618 11138132 V37CG2-Y47QD-V37QG2 22.128 6.724 0.620 11623294 S38CA-H-HA 55.391 7.898 4.894 13712942 S38CA-HB2-HA 55.412 3.911 4.894 19916396 S38CA-P39HD3-S38HA 55.421 3.962 4.894 50422072 S38CB-H-HB2 63.831 7.899 3.909 15472139 S38CB-HA-HB2 63.772 4.891 3.914 30247396 S38CB-HA-HB2 63.772 4.891 3.914 30247396 S38CB-HA-HB3 63.828 4.889 4.261 29841732 S38CB-HB2-HB3 63.821 3.914 4.260 186542816 S38CB-HB3-HB2 63.801 4.259 3.914 167977712 S38CB-P39HD2-S38HB3 63.821 3.857 4.259 45887112 P39CA-HB2-HA 65.519 1.939 4.358 11508887 P39CA-HB3-HA 65.580 2.441 4.358 38363560 P39CA-A42QB-P39HA 65.618 1.408 4.357 25382564 P39CB-HA-HB2 31.945 4.362 1.947 19926132 P39CB-HA-HB3 31.891 4.359 2.442 42317016 P39CB-HB2-HB3 31.870 1.943 2.442 151213632 P39CB-HB3-HB2 31.895 2.441 1.945 128881416 P39CB-HD2-HB2 31.891 3.857 1.944 8182980 P39CB-HD3-HB3 31.945 3.953 2.446 6826811 P39CB-QG-HB3 31.872 2.139 2.442 44218492 P39CD-S38HA-P39HD2 50.442 4.896 3.862 32754052 P39CD-S38HA-P39HD3 50.441 4.893 3.961 57259936 P39CD-S38HB3-P39HD2 50.459 4.261 3.859 24244474 P39CD-S38HB3-P39HD3 50.400 4.262 3.961 20254750 P39CD-HB2-HD2 50.478 1.942 3.858 9636833 P39CD-HD2-HD3 50.422 3.859 3.960 176525824 P39CD-HD3-HD2 50.425 3.959 3.859 168755168 P39CD-QG-HD2 50.414 2.139 3.859 26189364 P39CD-QG-HD3 50.419 2.137 3.961 35135088 P39CG-HA-QG 27.788 4.363 2.141 11672949 P39CG-HB2-QG 27.796 1.949 2.138 82822192 P39CG-HB3-QG 27.809 2.442 2.141 33210826 P39CG-HD2-QG 27.814 3.858 2.140 29251962 P39CG-HD3-QG 27.786 3.959 2.141 27507234 E40CA-H-HA 59.044 8.492 4.151 16368230 E40CA-HB2-HA 59.040 1.952 4.155 27478540 E40CA-HB3-HA 59.039 2.038 4.156 26553960 E40CA-QG-HA 59.016 2.299 4.156 25439762 E40CB-H-HB2 29.181 8.492 1.958 10836258 E40CB-H-HB3 29.203 8.498 2.038 13718254 E40CB-HA-HB2 29.189 4.158 1.953 18194344 E40CB-HA-HB3 29.191 4.154 2.037 20279668 E40CB-HB2-HB3 29.260 1.957 2.039 342705664 E40CB-HB3-HB2 29.252 2.035 1.956 314339520 E40CB-QG-HB2 29.240 2.292 1.958 39503824 E40CB-QG-HB3 29.242 2.293 2.040 42660100 E40CB-M41H-E40HB2 29.205 7.700 1.957 4241680 E40CB-M41H-E40HB3 29.218 7.688 2.037 10085578 E40CG-H-QG 36.463 8.495 2.293 11897637 E40CG-HA-QG 36.503 4.154 2.301 24418756 E40CG-HB3-QG 36.401 2.038 2.295 68945752 M41CA-H-HA 57.448 7.685 4.256 16749720 M41CA-HG2-HA 57.455 2.669 4.256 7651110 M41CA-HG3-HA 57.445 2.550 4.262 10094296 M41CA-QB-HA 57.406 2.218 4.257 22847738 M41CA-A42H-M41HA 57.469 8.264 4.255 10933326 M41CA-K44QB-M41HA 57.401 1.925 4.252 13091622 M41CB-S38H-M41QB 33.269 7.898 2.197 7921836 M41CB-H-QB 33.320 7.688 2.192 15509434 M41CB-HG2-QB 33.500 2.669 2.211 5407348 M41CB-HG3-QB 33.500 2.551 2.214 3990666 M41CB-A42H-M41QB 33.287 8.256 2.186 9652227 M41CG-H-HG2 32.244 7.678 2.666 13316003 M41CG-HA-HG3 32.198 4.262 2.551 8924417 M41CG-HG2-HG3 32.152 2.665 2.551 214203984 M41CG-HG3-HG2 32.201 2.556 2.668 238763776 M41CG-QB-HG3 32.129 2.228 2.540 13925173 A42CA-V20QG2-A42HA 54.423 0.973 4.146 8575976 A42CA-V37QG1-A42HA 54.400 0.775 4.138 9580958 A42CA-H-HA 54.400 8.266 4.139 13051480 A42CA-QB-HA 54.366 1.410 4.137 71247840 A42CA-E43H-A42HA 54.295 7.806 4.138 9813354 A42CB-V20HB-A42QB 18.557 1.878 1.413 17119790 A42CB-V20QG2-A42QB 18.597 0.957 1.408 18749788 A42CB-V37QG1-A42QB 18.496 0.774 1.412 36288732 A42CB-V37QG2-A42QB 18.428 0.608 1.410 9460027 A42CB-H-QB 18.497 8.264 1.411 49341480 A42CB-HA-QB 18.516 4.136 1.412 62835680 A42CB-E43H-A42QB 18.496 7.802 1.411 16065848 E43CA-HB2-HA 57.446 2.157 4.330 16330828 E43CA-HB3-HA 57.467 2.092 4.322 17825452 E43CB-HA-HB2 30.293 4.323 2.164 15966339 E43CB-HA-HB3 30.283 4.315 2.091 18711510 E43CB-HB2-HB3 30.276 2.159 2.092 259284640 E43CB-HB3-HB2 30.293 2.097 2.160 279602592 E43CB-HG2-HB2 30.313 2.306 2.158 62181140 E43CB-HG2-HB3 30.269 2.300 2.092 50138388 E43CB-HG3-HB2 30.304 2.388 2.157 19462728 E43CB-HG3-HB3 30.285 2.393 2.090 14977403 E43CG-H-HG2 36.437 7.807 2.307 11245466 E43CG-HA-HG3 36.129 4.303 2.402 7369734 E43CG-HB2-HG3 36.149 2.158 2.403 34828656 E43CG-HB3-HG3 36.132 2.094 2.401 22297472 E43CG-HG2-HG3 36.131 2.313 2.403 425234656 E43CG-HG3-HG2 36.100 2.399 2.311 395512064 K44CA-HG3-HA 57.451 1.486 4.339 14378598 K44CA-QB-HA 57.443 1.923 4.341 44947908 K44CA-QB-HA 57.443 1.923 4.341 44947908 K44CA-QD-HA 57.447 1.700 4.337 15354318 K44CB-H-QB 34.365 7.759 1.922 22324586 K44CB-HA-QB 34.393 4.340 1.923 26215204 K44CB-HG2-QB 34.393 1.569 1.922 18936600 K44CB-HG3-QB 34.427 1.492 1.921 13989459 K44CB-QD-QB 34.391 1.699 1.915 22458526 K44CB-QE-QB 34.394 3.016 1.931 7702491 K44CB-E45H-K44QB 34.334 8.111 1.917 9931360 K44CB-E45QG-K44QB 34.368 2.282 1.923 17619016 K44CD-QB-QD 29.200 1.920 1.701 23657796 K44CE-HA-QE 42.151 4.322 2.996 9127897 K44CE-QB-QE 42.182 1.955 3.017 7844692 K44CG-H-HG2 25.230 7.765 1.568 7670141 K44CG-HA-HG2 25.263 4.337 1.564 10010135 K44CG-HA-HG3 25.266 4.349 1.489 9520800 K44CG-HG2-HG3 25.220 1.561 1.488 273768544 K44CG-HG3-HG2 25.228 1.490 1.565 324696768 K44CG-QB-HG2 25.198 1.913 1.566 25123026 K44CG-QB-HG3 25.201 1.926 1.490 18093660 K44CG-QD-HG2 25.226 1.699 1.565 133738608 K44CG-QD-HG3 25.223 1.697 1.489 88549144 K44CG-QE-HG2 25.296 3.021 1.570 11568432 K44CG-QE-HG3 25.056 3.015 1.492 10409941 E45CA-H-HA 54.841 8.099 4.626 11138542 E45CA-HB2-HA 54.857 2.129 4.626 20523150 E45CA-HB3-HA 54.759 1.963 4.629 13959935 E45CA-QG-HA 54.769 2.282 4.628 20176456 E45CA-D46H-E45HA 54.802 8.460 4.626 44587552 E45CA-D46H-E45HA 54.802 8.460 4.626 44587552 E45CB-HA-HB2 32.005 4.621 2.128 15871740 E45CB-HA-HB3 32.050 4.624 1.965 11401807 E45CB-HB3-HB2 32.023 1.963 2.132 123179096 E45CB-QG-HB2 32.027 2.275 2.132 119047936 E45CB-QG-HB2 32.027 2.275 2.132 119047936 E45CB-QG-HB3 32.027 2.280 1.955 46081612 E45CB-D46H-E45HB2 32.030 8.460 2.130 9485213 E45CG-H-QG 35.868 8.103 2.275 12718920 E45CG-HA-QG 35.915 4.625 2.277 18589166 D46CB-H-QB 41.104 8.462 2.494 22148656 D46CB-HA-QB 41.088 4.782 2.489 10258344 D46CB-QB-QB 41.124 2.494 2.495 677875968 D46CB-Y47H-D46QB 41.097 9.103 2.497 6880304 Y47CA-H-HA 58.028 9.065 4.547 5747654 Y47CA-HB2-HA 58.038 2.950 4.547 22996350 Y47CA-HB3-HA 58.035 2.705 4.550 13496363 Y47CA-QD-HA 58.045 6.728 4.551 13288180 Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 Y47CA-I48H-Y47HA 58.033 7.324 4.549 50179068 Y47CB-V20QG2-Y47HB2 39.736 0.956 2.946 13014265 Y47CB-V20QG2-Y47HB3 39.658 0.973 2.715 7952423 Y47CB-H-HB2 39.785 9.087 2.951 4582274 Y47CB-H-HB3 39.835 9.088 2.735 4226930 Y47CB-HA-HB2 39.710 4.547 2.939 20491770 Y47CB-HA-HB3 39.858 4.545 2.724 7419022 Y47CB-HB2-HB3 39.725 2.939 2.722 53814000 Y47CB-HB3-HB2 39.696 2.727 2.942 61440756 Y47CB-QD-HB2 39.740 6.733 2.943 9963631 I48CA-H-HA 58.547 7.326 4.465 7070108 I48CA-HB-HA 58.485 1.463 4.465 15948296 I48CA-HG12-HA 58.515 1.252 4.463 12101265 I48CA-HG13-HA 58.623 0.896 4.462 11915603 I48CA-QG2-HA 58.549 0.667 4.465 48523924 I48CA-C49H-I48HA 58.532 9.255 4.464 49340160 I48CB-H-HB 38.369 7.322 1.471 22800242 I48CB-HA-HB 38.314 4.473 1.472 9463124 I48CB-HG12-HB 38.337 1.257 1.471 18475812 I48CB-HG13-HB 38.333 0.904 1.472 14053577 I48CD1-HA-QD1 12.087 4.466 0.645 12608357 I48CD1-HB-QD1 11.967 1.477 0.655 7064780 I48CD1-HG12-QD1 12.079 1.254 0.659 15287165 I48CD1-HG13-QD1 11.967 0.887 0.651 18772800 I48CG1-H-HG13 27.321 7.321 0.900 5940170 I48CG1-HA-HG12 27.188 4.483 1.264 8625137 I48CG1-HA-HG13 27.297 4.463 0.897 13149455 I48CG1-HB-HG12 27.244 1.466 1.257 20856586 I48CG1-HB-HG13 27.282 1.476 0.901 15645466 I48CG1-HG12-HG13 27.272 1.254 0.898 84359944 I48CG1-HG13-HG12 27.251 0.900 1.260 78184792 I48CG2-G24H-I48QG2 18.343 10.025 0.671 7674806 I48CG2-G24HA2-I48QG2 18.403 3.712 0.668 8698507 I48CG2-G24HA3-I48QG2 18.431 4.307 0.663 10305974 I48CG2-H-QG2 18.332 7.316 0.668 9969701 I48CG2-HA-QG2 18.373 4.466 0.670 33611980 I48CG2-HB-QG2 18.372 1.471 0.672 56390372 I48CG2-HG12-QG2 18.398 1.254 0.669 27980204 I48CG2-HG13-QG2 18.370 0.901 0.667 26375326 I48CG2-C49H-I48QG2 18.406 9.259 0.673 15323958 I48CG2-C52HB2-I48QG2 18.387 3.172 0.673 22628540 I48CG2-C52HB3-I48QG2 18.394 2.835 0.675 34327460 I48CG2-T53H-I48QG2 18.393 7.880 0.668 12542257 I48CG2-T53HA-I48QG2 18.358 3.858 0.673 28555828 I48CG2-T53QG2-I48QG2 18.338 1.124 0.673 15874309 C49CA-H-HA 58.260 9.262 4.164 9107272 C49CA-HB2-HA 58.433 3.103 4.163 31517942 C49CA-HB3-HA 58.432 2.485 4.161 21022022 C49CA-V50H-C49HA 58.397 7.881 4.163 38823164 C49CB-H-HB2 31.848 9.254 3.098 6744141 C49CB-H-HB3 31.867 9.257 2.487 27622162 C49CB-HA-HB2 31.859 4.163 3.100 34157372 C49CB-HA-HB3 31.862 4.163 2.488 23929926 C49CB-HB2-HB3 31.875 3.099 2.484 83953336 C49CB-HB3-HB2 31.871 2.483 3.100 82398672 C49CB-V50H-C49HB2 31.862 7.881 3.099 24077154 C49CB-V50H-C49HB3 31.914 7.876 2.471 10678551 V50CA-HB-HA 65.365 2.154 3.792 40433400 V50CA-T53HB-V50HA 65.351 4.117 3.794 20166662 V50CA-T53QG2-V50HA 65.366 1.126 3.793 15258894 V50CB-H-HB 31.835 7.882 2.155 22562638 V50CB-HA-HB 31.813 3.790 2.153 36132820 R51CA-H-HA 59.008 8.247 4.239 16265046 R51CA-HB3-HA 58.929 1.980 4.239 25155762 R51CA-HG2-HA 58.884 1.710 4.236 18890372 R51CA-HG3-HA 58.994 1.860 4.239 13013187 R51CA-QD-HA 58.948 3.310 4.248 6015519 R51CB-H-HB2 30.256 8.247 2.093 22936084 R51CB-H-HB3 30.280 8.243 1.982 12254525 R51CB-HA-HB2 30.294 4.237 2.095 17288134 R51CB-HA-HB3 30.251 4.239 1.987 22763296 R51CB-HB2-HB3 30.275 2.093 1.978 195022704 R51CB-HB3-HB2 30.282 1.977 2.087 225662752 R51CB-HG2-HB2 30.275 1.717 2.094 13734202 R51CB-HG2-HB3 30.312 1.716 1.982 15047185 R51CB-HG3-HB2 30.301 1.859 2.092 31837394 R51CB-HG3-HB3 30.447 1.856 1.978 73927256 R51CB-QD-HB2 30.240 3.304 2.093 8448923 R51CB-QD-HB3 30.314 3.318 1.981 14833572 R51CB-C52H-R51HB2 30.281 8.677 2.101 10047176 R51CB-C52H-R51HB3 30.271 8.666 1.982 9596762 R51CD-HA-QD 43.396 4.235 3.307 10874611 R51CD-HB2-QD 43.384 2.093 3.311 12118463 R51CD-HB3-QD 43.380 1.977 3.308 16628022 R51CD-HG2-QD 43.357 1.705 3.307 30095562 R51CD-HG3-QD 43.374 1.857 3.304 25562894 R51CG-H-HG2 28.121 8.240 1.701 6724749 R51CG-H-HG3 28.037 8.249 1.862 12843813 R51CG-HA-HG2 28.032 4.237 1.707 17554346 R51CG-HA-HG3 27.945 4.243 1.860 10852145 R51CG-HB2-HG2 28.032 2.084 1.703 17815370 R51CG-HB2-HG3 27.975 2.093 1.862 28747074 R51CG-HB3-HG2 28.013 1.983 1.707 21760844 R51CG-HB3-HG3 28.010 1.982 1.858 52937340 R51CG-HG2-HG3 27.989 1.710 1.862 159442064 R51CG-HG3-HG2 28.006 1.855 1.707 145590816 R51CG-QD-HG2 27.992 3.303 1.709 21275130 R51CG-QD-HG3 28.023 3.305 1.861 18011374 C52CA-H-HA 63.283 8.671 4.017 22191658 C52CA-HB2-HA 63.333 3.175 4.017 32371424 C52CA-HB3-HA 63.430 2.847 4.018 15226188 C52CA-T53H-C52HA 63.376 7.879 4.021 12614645 C52CA-K55QB-C52HA 63.314 1.796 4.015 18473020 C52CB-I48QG2-C52HB2 30.158 0.671 3.176 28891106 C52CB-I48QG2-C52HB3 30.138 0.669 2.836 41153020 C52CB-C49H-C52HB2 30.047 9.286 3.171 3764584 C52CB-C49H-C52HB3 30.177 9.251 2.844 3055495 C52CB-H-HB2 30.192 8.673 3.182 11762158 C52CB-H-HB3 30.132 8.671 2.834 26391738 C52CB-HA-HB2 30.135 4.016 3.179 28125120 C52CB-HA-HB3 30.135 4.021 2.835 13074418 C52CB-HB2-HB3 30.139 3.174 2.835 149718944 C52CB-HB3-HB2 30.126 2.835 3.176 148280704 T53CA-I48QG2-T53HA 65.154 0.669 3.859 37559236 T53CA-H-HA 65.172 7.878 3.859 26068296 T53CA-HB-HA 65.125 4.100 3.854 23617320 T53CA-QG2-HA 65.173 1.128 3.861 49921792 T53CA-V54H-T53HA 65.182 7.570 3.860 44873108 T53CB-V50HA-T53HB 69.337 3.790 4.113 22979984 T53CB-H-HB 69.326 7.877 4.113 28976292 T53CB-HA-HB 69.340 3.861 4.111 24368142 T53CB-QG2-HB 69.328 1.129 4.111 68128032 T53CB-V54H-T53HB 69.337 7.575 4.111 13362789 T53CG2-V50HA-T53QG2 21.052 3.797 1.130 18836888 T53CG2-H-QG2 21.011 7.881 1.126 17468168 T53CG2-HA-QG2 21.013 3.858 1.128 53629956 T53CG2-HB-QG2 21.009 4.116 1.128 82705792 T53CG2-V54H-T53QG2 21.013 7.566 1.123 10893024 V54CA-H-HA 63.238 7.568 4.015 34093256 V54CA-HB-HA 63.265 2.112 4.015 28079736 V54CA-QG1-HA 63.231 0.942 4.016 41559952 V54CA-QG2-HA 63.233 0.998 4.016 43327244 V54CB-H-HB 32.466 7.572 2.113 28339236 V54CB-HA-HB 32.479 4.017 2.111 25459582 V54CB-QG1-HB 32.475 0.942 2.111 79886776 V54CB-QG1-HB 32.475 0.942 2.111 79886776 V54CB-QG2-HB 32.506 0.999 2.111 52390968 V54CB-K55H-V54HB 32.469 8.127 2.112 12622094 V54CG1-H-QG1 21.144 7.566 0.940 12564484 V54CG1-HA-QG1 21.149 4.017 0.941 45158044 V54CG1-HB-QG1 21.147 2.107 0.941 110316464 V54CG1-QG2-QG1 21.144 1.002 0.935 145154944 V54CG1-K55H-V54QG1 21.233 8.132 0.951 15092316 V54CG2-H-QG2 20.902 7.572 0.997 44947648 V54CG2-HA-QG2 20.886 4.018 1.001 41115424 K55CA-V54QG1-K55HA 57.122 0.950 4.218 7317494 K55CA-H-HA 57.211 8.128 4.208 27647886 K55CA-QB-HA 57.195 1.793 4.210 49301408 K55CA-D56H-K55HA 57.177 8.299 4.209 33796128 K55CB-C52HA-K55QB 33.071 4.018 1.795 9477940 K55CB-H-QB 33.136 8.129 1.792 30729322 K55CB-HA-QB 33.147 4.210 1.792 35034488 K55CB-QD-QB 33.108 1.668 1.786 26885550 K55CB-D56H-K55QB 33.249 8.296 1.795 14047507 K55CD-HA-QD 28.954 4.210 1.663 12254951 K55CD-QB-QD 29.093 1.797 1.655 52423340 K55CD-QE-QD 29.050 3.010 1.648 40537404 K55CG-QD-HG2 24.641 1.655 1.419 113662168 K55CG-A57H-K55HG3 24.654 7.912 1.467 8697162 D56CA-H-HA 54.311 8.297 4.584 22755840 D56CA-HB2-HA 54.308 2.625 4.586 24883328 D56CA-HB3-HA 54.272 2.695 4.585 35388616 D56CA-A57H-D56HA 54.280 7.892 4.586 30709906 D56CB-H-HB2 40.805 8.300 2.622 12686917 D56CB-H-HB3 40.776 8.300 2.695 15989173 D56CB-HA-HB2 40.796 4.585 2.621 21039646 D56CB-HA-HB3 40.798 4.583 2.693 22741512 D56CB-HB2-HB3 40.782 2.625 2.697 557392128 D56CB-HB3-HB2 40.750 2.694 2.622 526631520 A57CA-H-HA 51.100 7.892 4.540 15218674 A57CA-QB-HA 51.058 1.382 4.539 38673412 A57CA-P58HD2-A57HA 51.041 3.787 4.540 43610864 A57CA-P58HD3-A57HA 51.047 3.655 4.540 33562796 A57CB-H-QB 18.101 7.892 1.384 44297724 A57CB-HA-QB 18.097 4.548 1.383 58681120 A57CB-HA-QB 18.097 4.548 1.383 58681120 A57CB-P58HD2-A57QB 18.082 3.788 1.385 14301625 A57CB-P58HD3-A57QB 18.069 3.656 1.384 22947524 P58CA-HB2-HA 63.268 2.318 4.448 51894968 P58CA-HB3-HA 63.287 1.922 4.449 16692466 P58CA-QG-HA 63.314 2.026 4.448 13860428 P58CA-S59H-P58HA 63.294 8.314 4.447 18702820 P58CB-HA-HB2 31.970 4.447 2.320 45233484 P58CB-HA-HB3 31.937 4.433 1.919 10990674 P58CB-HB2-HB3 31.956 2.319 1.916 266070272 P58CB-HB3-HB2 31.980 1.916 2.324 261075664 P58CB-HD2-HB2 31.899 3.788 2.320 8748842 P58CB-HD2-HB3 31.904 3.785 1.928 5723776 P58CB-HD3-HB3 31.965 3.657 1.915 12779653 P58CB-HD3-HB3 31.965 3.657 1.915 12779653 P58CB-HD3-HB3 31.900 3.669 1.927 11969742 P58CB-QG-HB2 31.964 2.037 2.320 51738636 P58CD-A57H-P58HD2 50.537 7.889 3.793 8717596 P58CD-A57H-P58HD3 50.503 7.901 3.646 8071329 P58CD-A57HA-P58HD2 50.398 4.540 3.788 42839104 P58CD-A57HA-P58HD2 50.884 4.548 3.828 -7462164 P58CD-A57HA-P58HD3 50.419 4.538 3.657 44499192 P58CD-A57QB-P58HD2 50.434 1.380 3.786 10408561 P58CD-A57QB-P58HD3 50.413 1.380 3.656 22065942 P58CD-HB3-HD3 50.450 1.907 3.659 14211920 P58CD-HD2-HD3 50.389 3.788 3.656 441509504 P58CD-HD3-HD2 50.382 3.658 3.790 419755936 P58CD-QG-HD2 50.461 2.030 3.788 50549788 P58CD-QG-HD3 50.439 2.032 3.657 40922000 P58CG-HB2-QG 27.425 2.310 2.031 47433880 P58CG-HD2-QG 27.386 3.787 2.030 41027744 P58CG-HD3-QG 27.392 3.658 2.030 40059088 P58CG-QG-QG 27.380 2.030 2.031 5167428608 S59CA-QB-HA 58.257 3.886 4.419 36200172 S59CB-HA-QB 63.748 4.415 3.882 39493956 R60CA-HB2-HA 55.922 1.895 4.384 16299865 R60CA-HB3-HA 55.978 1.771 4.385 16103866 R60CA-QG-HA 56.100 1.651 4.383 7720937 R60CA-K61H-R60HA 56.028 7.970 4.386 29718592 R60CB-H-HB2 30.627 8.315 1.909 8802860 R60CB-HA-HB2 30.725 4.384 1.912 10736812 R60CB-HA-HB3 30.799 4.375 1.769 9625450 R60CB-HB2-HB3 30.874 1.906 1.767 241365872 R60CB-HB3-HB2 30.835 1.775 1.914 214469120 R60CB-QD-HB3 30.779 3.196 1.780 6130847 R60CB-QG-HB2 30.900 1.655 1.910 44167884 R60CB-QG-HB3 30.747 1.637 1.770 177834000 R60CD-HA-QD 43.318 4.396 3.193 9806439 R60CD-HB2-QD 43.200 1.920 3.211 3528204 R60CD-HB3-QD 43.319 1.757 3.203 11415196 R60CG-HB2-QG 27.000 1.899 1.652 42847944 R60CG-QD-QG 26.966 3.200 1.640 10792080 K61CA-H-HA 57.763 7.960 4.147 13113566 K61CB-HA-HB2 33.543 4.131 1.816 14041768 K61CB-HA-HB3 33.680 4.157 1.707 19052346 K61CB-HB2-HB3 33.660 1.818 1.703 640040256 K61CB-QG-HB2 33.548 1.413 1.817 27031966 K61CB-QG-HB3 33.692 1.411 1.696 13862875 K61CD-HA-QD 29.194 4.158 1.703 10893546 K61CD-HB2-QD 29.200 1.838 1.698 12497978 K61CG-R60HA-K61QG 24.555 4.366 1.426 7995076 Assignment w1 w2 w3 Data Height ?-?-? 120.007 10.177 7.385 10161478 ?-?-? 138.124 5.211 7.923 28924902 ?-?-? 138.128 9.777 7.925 21431882 A1H-H-H 121.626 7.383 6.483 12252035 A1H-H-H 121.645 7.410 6.996 16628601 A1H-H-H 132.783 4.487 7.370 14602954 A1H-H-H 132.823 3.037 7.372 25301738 A1H-H-H 121.715 7.362 6.995 8388335 W19CD1-H-HD1 128.699 9.518 7.382 15411081 W19CD1-HB3-HD1 128.727 3.134 7.386 15854755 W19CD1-HE1-HD1 128.623 10.176 7.383 35476068 W19CE3-HB2-HE3 119.467 3.680 7.410 10215821 W19CE3-W29HB2-W19HE3 119.447 3.056 7.404 6857425 W19CE3-W29HZ3-W19HE3 119.506 6.991 7.405 6526812 W19CH2-HH2-HH2 124.263 6.706 6.706 226604032 W19CH2-HZ2-HH2 124.285 7.402 6.706 34075284 W19CH2-HZ3-HH2 124.274 6.483 6.706 25727480 W19CZ2-HE1-HZ2 114.047 10.184 7.403 10417713 W19CZ2-HH2-HZ2 114.062 6.704 7.403 20725664 W19CZ2-HZ2-HZ2 114.141 7.404 7.404 272598656 W19CZ3-HH2-HZ3 121.473 6.703 6.486 30196712 W29CD1-H-HD1 126.993 8.319 7.217 7139212 W29CD1-HE1-HD1 127.119 10.047 7.214 30761250 W29CE3-W19HB2-W29HE3 119.971 3.685 7.379 8738720 W29CE3-W19HB3-W29HE3 120.057 3.133 7.383 9388272 W29CE3-W19HZ3-W29HE3 120.030 6.470 7.380 6423383 W29CE3-HB2-HE3 119.951 3.084 7.385 9456136 W29CH2-HZ2-HH2 124.656 7.354 7.197 35822176 W29CH2-HZ3-HH2 124.656 6.999 7.198 41965076 W29CZ2-HE1-HZ2 115.428 10.046 7.352 17609354 W29CZ2-HH2-HZ2 115.399 7.198 7.351 47743740 W29CZ3-HH2-HZ3 121.754 7.196 6.994 41091796 F30CQD-A6QB-F30QD 132.917 1.521 7.370 14380718 F30CQD-H-QD 132.861 9.776 7.370 9170761 F30CQD-HA-QD 132.724 4.823 7.364 10582031 F30CQD-HB3-QD 132.735 2.729 7.375 19341242 F30CQD-QE-QD 132.830 7.187 7.371 69887616 F30CQD-V35QG1-F30QD 132.656 0.730 7.372 16543642 F30CQE-A6HA-F30QE 131.121 4.490 7.186 13136862 F30CQE-C22HB3-F30QE 131.132 3.051 7.185 18174650 F30CQE-HZ-QE 131.253 7.669 7.183 10097002 F30CQE-QD-QE 131.068 7.368 7.186 64999140 F30CZ-QE-HZ 130.182 7.187 7.666 12305001 Y47CQD-C22HA-Y47QD 132.725 4.497 6.738 15589772 Y47CQD-HA-QD 132.694 4.544 6.736 16772139 Y47CQD-HB2-QD 132.686 2.939 6.740 16973496 Y47CQD-HB3-QD 132.630 2.708 6.736 12410081 Y47CQD-QD-QD 132.685 6.733 6.735 228578656 Y47CQD-QE-QD 132.638 6.112 6.732 9451409 Y47CQE-QD-QE 116.881 6.744 6.110 8261362 Y47CQE-QE-QE 116.863 6.108 6.113 26464470 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 65 . . . 19328 2 2 H 1 H 2 11.5 . . . 19328 2 3 H 1 H 1 14 . . . 19328 2 stop_ save_