data_30956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30956 _Entry.Title ; Solution structure of the zinc finger domain of murine MetAP1, complexed with ZNG N-terminal peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-30 _Entry.Accession_date 2021-09-30 _Entry.Last_release_date 2021-10-05 _Entry.Original_release_date 2021-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 K. Edmonds K. A. . . 30956 2 M. Jordan M. R. . . 30956 3 K. Thalluri K. . . . 30956 4 H. Wu H. . . . 30956 5 R. 'Di Marchi' R. . . . 30956 6 D. Giedroc D. P. . . 30956 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID COG0523 . 30956 'METAL BINDING PROTEIN' . 30956 METAP1 . 30956 Metallochaperone . 30956 'zinc finger' . 30956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30956 spectral_peak_list 3 30956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 30956 '15N chemical shifts' 85 30956 '1H chemical shifts' 547 30956 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-27 2021-09-30 update BMRB 'update entry citation' 30956 1 . . 2022-05-26 2021-09-30 original author 'original release' 30956 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SEK 'BMRB Entry Tracking System' 30956 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30956 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35584702 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Zn-regulated GTPase metalloprotein activator 1 modulates vertebrate zinc homeostasis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 185 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4172 _Citation.Journal_CSD 0353 _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 2148 _Citation.Page_last 2163 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andy Weiss A. . . . 30956 1 2 Caitlin Murdoch C. C. . . 30956 1 3 Katherine Edmonds K. A. . . 30956 1 4 Matthew Jordan M. R. . . 30956 1 5 Andrew Monteith A. J. . . 30956 1 6 Yasiru Perera Y. R. . . 30956 1 7 Aslin 'Rodriguez Nassif' A. M. . . 30956 1 8 Amber Petoletti A. M. . . 30956 1 9 William Beavers W. N. . . 30956 1 10 Matthew Munneke M. J. . . 30956 1 11 Sydney Drury S. L. . . 30956 1 12 Evan Krystofiak E. S. . . 30956 1 13 Kishore Thalluri K. . . . 30956 1 14 Hongwei Wu H. . . . 30956 1 15 Angela Kruse . . . . 30956 1 16 Richard DiMarchi R. D. . . 30956 1 17 Richard Caprioli R. M. . . 30956 1 18 Jeffrey Spraggins J. M. . . 30956 1 19 Walter Chazin W. J. . . 30956 1 20 David Giedroc D. P. . . 30956 1 21 Eric Skaar E. P. . . 30956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30956 _Assembly.ID 1 _Assembly.Name 'COBW domain-containing protein 1,Methionine aminopeptidase 1 (E.C.3.4.11.18)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 30956 1 2 unit_2 2 $entity_ZN B A no . . . . . . 30956 1 3 unit_3 2 $entity_ZN C A no . . . . . . 30956 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 30 30 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 2 coordination single . 1 . 1 CYS 35 35 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 3 coordination single . 1 . 1 CYS 57 57 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 4 coordination single . 1 . 1 CYS 61 61 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 5 coordination single . 1 . 1 CYS 43 43 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 6 coordination single . 1 . 1 CYS 46 46 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 7 coordination single . 1 . 1 HIS 69 69 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 8 coordination single . 1 . 1 HIS 73 73 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; AEEEYAEDCPELVPIETKNQ EMAAVETRVCETDGCSSEAK LQCPTCIKLGIQGSYFCSQE CFKGSWATHKLLHKKAKDEK ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.4.11.18 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8956.125 _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 'Cobalamin synthase W domain-containing protein 1' common 30956 1 'MAP 1' common 30956 1 'MetAP 1' common 30956 1 'Peptidase M 1' common 30956 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 . ALA . 30956 1 2 . GLU . 30956 1 3 . GLU . 30956 1 4 . GLU . 30956 1 5 . TYR . 30956 1 6 . ALA . 30956 1 7 . GLU . 30956 1 8 . ASP . 30956 1 9 . CYS . 30956 1 10 . PRO . 30956 1 11 . GLU . 30956 1 12 . LEU . 30956 1 13 . VAL . 30956 1 14 . PRO . 30956 1 15 . ILE . 30956 1 16 . GLU . 30956 1 17 . THR . 30956 1 18 . LYS . 30956 1 19 . ASN . 30956 1 20 . GLN . 30956 1 21 . GLU . 30956 1 22 . MET . 30956 1 23 . ALA . 30956 1 24 . ALA . 30956 1 25 . VAL . 30956 1 26 . GLU . 30956 1 27 . THR . 30956 1 28 . ARG . 30956 1 29 . VAL . 30956 1 30 . CYS . 30956 1 31 . GLU . 30956 1 32 . THR . 30956 1 33 . ASP . 30956 1 34 . GLY . 30956 1 35 . CYS . 30956 1 36 . SER . 30956 1 37 . SER . 30956 1 38 . GLU . 30956 1 39 . ALA . 30956 1 40 . LYS . 30956 1 41 . LEU . 30956 1 42 . GLN . 30956 1 43 . CYS . 30956 1 44 . PRO . 30956 1 45 . THR . 30956 1 46 . CYS . 30956 1 47 . ILE . 30956 1 48 . LYS . 30956 1 49 . LEU . 30956 1 50 . GLY . 30956 1 51 . ILE . 30956 1 52 . GLN . 30956 1 53 . GLY . 30956 1 54 . SER . 30956 1 55 . TYR . 30956 1 56 . PHE . 30956 1 57 . CYS . 30956 1 58 . SER . 30956 1 59 . GLN . 30956 1 60 . GLU . 30956 1 61 . CYS . 30956 1 62 . PHE . 30956 1 63 . LYS . 30956 1 64 . GLY . 30956 1 65 . SER . 30956 1 66 . TRP . 30956 1 67 . ALA . 30956 1 68 . THR . 30956 1 69 . HIS . 30956 1 70 . LYS . 30956 1 71 . LEU . 30956 1 72 . LEU . 30956 1 73 . HIS . 30956 1 74 . LYS . 30956 1 75 . LYS . 30956 1 76 . ALA . 30956 1 77 . LYS . 30956 1 78 . ASP . 30956 1 79 . GLU . 30956 1 80 . LYS . 30956 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 30956 1 . GLU 2 2 30956 1 . GLU 3 3 30956 1 . GLU 4 4 30956 1 . TYR 5 5 30956 1 . ALA 6 6 30956 1 . GLU 7 7 30956 1 . ASP 8 8 30956 1 . CYS 9 9 30956 1 . PRO 10 10 30956 1 . GLU 11 11 30956 1 . LEU 12 12 30956 1 . VAL 13 13 30956 1 . PRO 14 14 30956 1 . ILE 15 15 30956 1 . GLU 16 16 30956 1 . THR 17 17 30956 1 . LYS 18 18 30956 1 . ASN 19 19 30956 1 . GLN 20 20 30956 1 . GLU 21 21 30956 1 . MET 22 22 30956 1 . ALA 23 23 30956 1 . ALA 24 24 30956 1 . VAL 25 25 30956 1 . GLU 26 26 30956 1 . THR 27 27 30956 1 . ARG 28 28 30956 1 . VAL 29 29 30956 1 . CYS 30 30 30956 1 . GLU 31 31 30956 1 . THR 32 32 30956 1 . ASP 33 33 30956 1 . GLY 34 34 30956 1 . CYS 35 35 30956 1 . SER 36 36 30956 1 . SER 37 37 30956 1 . GLU 38 38 30956 1 . ALA 39 39 30956 1 . LYS 40 40 30956 1 . LEU 41 41 30956 1 . GLN 42 42 30956 1 . CYS 43 43 30956 1 . PRO 44 44 30956 1 . THR 45 45 30956 1 . CYS 46 46 30956 1 . ILE 47 47 30956 1 . LYS 48 48 30956 1 . LEU 49 49 30956 1 . GLY 50 50 30956 1 . ILE 51 51 30956 1 . GLN 52 52 30956 1 . GLY 53 53 30956 1 . SER 54 54 30956 1 . TYR 55 55 30956 1 . PHE 56 56 30956 1 . CYS 57 57 30956 1 . SER 58 58 30956 1 . GLN 59 59 30956 1 . GLU 60 60 30956 1 . CYS 61 61 30956 1 . PHE 62 62 30956 1 . LYS 63 63 30956 1 . GLY 64 64 30956 1 . SER 65 65 30956 1 . TRP 66 66 30956 1 . ALA 67 67 30956 1 . THR 68 68 30956 1 . HIS 69 69 30956 1 . LYS 70 70 30956 1 . LEU 71 71 30956 1 . LEU 72 72 30956 1 . HIS 73 73 30956 1 . LYS 74 74 30956 1 . LYS 75 75 30956 1 . ALA 76 76 30956 1 . LYS 77 77 30956 1 . ASP 78 78 30956 1 . GLU 79 79 30956 1 . LYS 80 80 30956 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30956 _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 30956 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 30956 2 ZN 'Three letter code' 30956 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 30956 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 30956 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Cbwd1 . 30956 1 2 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Metap1 . 30956 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 30956 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30956 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 30956 _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 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _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.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 30956 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30956 ZN [Zn++] SMILES CACTVS 3.341 30956 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30956 ZN [Zn+2] SMILES ACDLabs 10.04 30956 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30956 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30956 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 30956 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30956 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 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30956 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30956 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2 mM [U-13C; U-15N] ZNG-Metap1 fusion, 150 mM sodium chloride, 10 mM sodium phosphate, 2 mM TCEP, 0.3 mM DSS, 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 'ZNG-Metap1 fusion' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM 0.01 . . . 30956 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.01 . . . 30956 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.01 . . . 30956 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 30956 1 5 DSS 'natural abundance' . . . . . . 0.3 . . mM 0.01 . . . 30956 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30956 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2 mM [U-13C; U-15N] ZNG-Metap1 fusion, 150 mM sodium chloride, 10 mM sodium phosphate, 2 mM TCEP, 0.3 mM DSS, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'ZNG-Metap1 fusion' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM 0.01 . . . 30956 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.01 . . . 30956 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.01 . . . 30956 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 30956 2 5 DSS 'natural abundance' . . . . . . 0.3 . . mM 0.01 . . . 30956 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30956 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2 mM [U-10% 13C; U-100% 15N] ZNG-Metap1 fusion, 150 mM sodium chloride, 10 mM sodium phosphate, 2 mM TCEP, 0.3 mM DSS, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'ZNG-Metap1 fusion' '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM 0.01 . . . 30956 3 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.01 . . . 30956 3 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.01 . . . 30956 3 4 TCEP 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 30956 3 5 DSS 'natural abundance' . . . . . . 0.3 . . mM 0.01 . . . 30956 3 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 30956 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30956 1 pH 7 0.05 pH 30956 1 pressure 1 . atm 30956 1 temperature 298.15 0.1 K 30956 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30956 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 30956 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30956 1 'structure calculation' . 30956 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30956 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30956 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30956 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30956 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30956 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30956 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30956 _Software.ID 4 _Software.Type . _Software.Name VnmrJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30956 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30956 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30956 _Software.ID 5 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NMRFAM . . 30956 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30956 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30956 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30956 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30956 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30956 _Software.ID 7 _Software.Type . _Software.Name hmsIST _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hyberts, Wagner' . . 30956 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30956 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30956 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30956 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 600 . . . 30956 1 2 NMR_spectrometer_2 Varian VNMRS . 800 . . . 30956 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 30956 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 12 '3d Har(CC-TOCSY-CGCBCACO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 13 '2D hbCBcgcdceHE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 14 '2D hbCBcgcdHD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30956 1 16 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 17 '2D 1H-15N HSQC long-range' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 18 '2D 1H-13C HSQC CT' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 19 '2D 1H-13C HSQC CT' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 21 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30956 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30956 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30956 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30956 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30956 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30956 1 2 '3D HNCACB' . . . 30956 1 3 '3D CBCA(CO)NH' . . . 30956 1 4 '3D HNCO' . . . 30956 1 5 '3D 1H-15N NOESY' . . . 30956 1 6 '3D HN(CA)CO' . . . 30956 1 7 '3D HBHA(CO)NH' . . . 30956 1 8 '3D HCCH-TOCSY' . . . 30956 1 9 '3D HCCH-TOCSY' . . . 30956 1 10 '3D C(CO)NH' . . . 30956 1 11 '3D H(CCO)NH' . . . 30956 1 12 '3d Har(CC-TOCSY-CGCBCACO)NH' . . . 30956 1 13 '2D hbCBcgcdceHE' . . . 30956 1 14 '2D hbCBcgcdHD' . . . 30956 1 15 '2D 1H-13C HSQC aromatic' . . . 30956 1 16 '2D 1H-13C HSQC aliphatic' . . . 30956 1 17 '2D 1H-15N HSQC long-range' . . . 30956 1 18 '2D 1H-13C HSQC CT' . . . 30956 1 19 '2D 1H-13C HSQC CT' . . . 30956 1 20 '3D 1H-13C NOESY aromatic' . . . 30956 1 21 '3D 1H-13C NOESY aliphatic' . . . 30956 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.017 0.020 . 1 . . . . A 1 ALA HA . 30956 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.472 0.020 . 1 . . . . A 1 ALA HB1 . 30956 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.472 0.020 . 1 . . . . A 1 ALA HB2 . 30956 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.472 0.020 . 1 . . . . A 1 ALA HB3 . 30956 1 5 . 1 . 1 1 1 ALA CA C 13 51.582 0.3 . 1 . . . . A 1 ALA CA . 30956 1 6 . 1 . 1 1 1 ALA CB C 13 19.415 0.3 . 1 . . . . A 1 ALA CB . 30956 1 7 . 1 . 1 2 2 GLU HA H 1 4.256 0.020 . 1 . . . . A 2 GLU HA . 30956 1 8 . 1 . 1 2 2 GLU HB2 H 1 1.909 0.020 . 2 . . . . A 2 GLU HB2 . 30956 1 9 . 1 . 1 2 2 GLU HB3 H 1 2.034 0.020 . 2 . . . . A 2 GLU HB3 . 30956 1 10 . 1 . 1 2 2 GLU HG2 H 1 2.226 0.020 . 1 . . . . A 2 GLU HG2 . 30956 1 11 . 1 . 1 2 2 GLU HG3 H 1 2.226 0.020 . 1 . . . . A 2 GLU HG3 . 30956 1 12 . 1 . 1 2 2 GLU C C 13 176.335 0.3 . 1 . . . . A 2 GLU C . 30956 1 13 . 1 . 1 2 2 GLU CA C 13 56.555 0.3 . 1 . . . . A 2 GLU CA . 30956 1 14 . 1 . 1 2 2 GLU CB C 13 30.045 0.3 . 1 . . . . A 2 GLU CB . 30956 1 15 . 1 . 1 2 2 GLU CG C 13 36.265 0.3 . 1 . . . . A 2 GLU CG . 30956 1 16 . 1 . 1 3 3 GLU H H 1 8.601 0.020 . 1 . . . . A 3 GLU H . 30956 1 17 . 1 . 1 3 3 GLU HA H 1 4.194 0.020 . 1 . . . . A 3 GLU HA . 30956 1 18 . 1 . 1 3 3 GLU HB2 H 1 1.867 0.020 . 2 . . . . A 3 GLU HB2 . 30956 1 19 . 1 . 1 3 3 GLU HB3 H 1 1.933 0.020 . 2 . . . . A 3 GLU HB3 . 30956 1 20 . 1 . 1 3 3 GLU HG2 H 1 2.196 0.020 . 1 . . . . A 3 GLU HG2 . 30956 1 21 . 1 . 1 3 3 GLU HG3 H 1 2.196 0.020 . 1 . . . . A 3 GLU HG3 . 30956 1 22 . 1 . 1 3 3 GLU C C 13 176.288 0.3 . 1 . . . . A 3 GLU C . 30956 1 23 . 1 . 1 3 3 GLU CA C 13 56.555 0.3 . 1 . . . . A 3 GLU CA . 30956 1 24 . 1 . 1 3 3 GLU CB C 13 30.045 0.3 . 1 . . . . A 3 GLU CB . 30956 1 25 . 1 . 1 3 3 GLU CG C 13 36.194 0.3 . 1 . . . . A 3 GLU CG . 30956 1 26 . 1 . 1 3 3 GLU N N 15 121.990 0.3 . 1 . . . . A 3 GLU N . 30956 1 27 . 1 . 1 4 4 GLU H H 1 8.449 0.020 . 1 . . . . A 4 GLU H . 30956 1 28 . 1 . 1 4 4 GLU HA H 1 4.185 0.020 . 1 . . . . A 4 GLU HA . 30956 1 29 . 1 . 1 4 4 GLU HB2 H 1 1.872 0.020 . 1 . . . . A 4 GLU HB2 . 30956 1 30 . 1 . 1 4 4 GLU HB3 H 1 1.872 0.020 . 1 . . . . A 4 GLU HB3 . 30956 1 31 . 1 . 1 4 4 GLU HG2 H 1 2.142 0.020 . 1 . . . . A 4 GLU HG2 . 30956 1 32 . 1 . 1 4 4 GLU HG3 H 1 2.142 0.020 . 1 . . . . A 4 GLU HG3 . 30956 1 33 . 1 . 1 4 4 GLU C C 13 176.066 0.3 . 1 . . . . A 4 GLU C . 30956 1 34 . 1 . 1 4 4 GLU CA C 13 56.593 0.3 . 1 . . . . A 4 GLU CA . 30956 1 35 . 1 . 1 4 4 GLU CB C 13 30.298 0.3 . 1 . . . . A 4 GLU CB . 30956 1 36 . 1 . 1 4 4 GLU CG C 13 36.194 0.3 . 1 . . . . A 4 GLU CG . 30956 1 37 . 1 . 1 4 4 GLU N N 15 122.344 0.3 . 1 . . . . A 4 GLU N . 30956 1 38 . 1 . 1 5 5 TYR H H 1 8.300 0.020 . 1 . . . . A 5 TYR H . 30956 1 39 . 1 . 1 5 5 TYR HA H 1 4.500 0.020 . 1 . . . . A 5 TYR HA . 30956 1 40 . 1 . 1 5 5 TYR HB2 H 1 2.926 0.020 . 1 . . . . A 5 TYR HB2 . 30956 1 41 . 1 . 1 5 5 TYR HB3 H 1 2.926 0.020 . 1 . . . . A 5 TYR HB3 . 30956 1 42 . 1 . 1 5 5 TYR HD1 H 1 7.057 0.020 . 1 . . . . A 5 TYR HD1 . 30956 1 43 . 1 . 1 5 5 TYR HD2 H 1 7.057 0.020 . 1 . . . . A 5 TYR HD2 . 30956 1 44 . 1 . 1 5 5 TYR HE1 H 1 6.810 0.020 . 1 . . . . A 5 TYR HE1 . 30956 1 45 . 1 . 1 5 5 TYR HE2 H 1 6.810 0.020 . 1 . . . . A 5 TYR HE2 . 30956 1 46 . 1 . 1 5 5 TYR C C 13 174.912 0.3 . 1 . . . . A 5 TYR C . 30956 1 47 . 1 . 1 5 5 TYR CA C 13 57.771 0.3 . 1 . . . . A 5 TYR CA . 30956 1 48 . 1 . 1 5 5 TYR CB C 13 38.751 0.3 . 1 . . . . A 5 TYR CB . 30956 1 49 . 1 . 1 5 5 TYR CD1 C 13 132.925 0.3 . 1 . . . . A 5 TYR CD1 . 30956 1 50 . 1 . 1 5 5 TYR CD2 C 13 132.925 0.3 . 1 . . . . A 5 TYR CD2 . 30956 1 51 . 1 . 1 5 5 TYR CE1 C 13 118.244 0.3 . 1 . . . . A 5 TYR CE1 . 30956 1 52 . 1 . 1 5 5 TYR CE2 C 13 118.244 0.3 . 1 . . . . A 5 TYR CE2 . 30956 1 53 . 1 . 1 5 5 TYR N N 15 122.144 0.3 . 1 . . . . A 5 TYR N . 30956 1 54 . 1 . 1 6 6 ALA H H 1 8.138 0.020 . 1 . . . . A 6 ALA H . 30956 1 55 . 1 . 1 6 6 ALA HA H 1 4.319 0.020 . 1 . . . . A 6 ALA HA . 30956 1 56 . 1 . 1 6 6 ALA HB1 H 1 1.276 0.020 . 1 . . . . A 6 ALA HB1 . 30956 1 57 . 1 . 1 6 6 ALA HB2 H 1 1.276 0.020 . 1 . . . . A 6 ALA HB2 . 30956 1 58 . 1 . 1 6 6 ALA HB3 H 1 1.276 0.020 . 1 . . . . A 6 ALA HB3 . 30956 1 59 . 1 . 1 6 6 ALA C C 13 176.632 0.3 . 1 . . . . A 6 ALA C . 30956 1 60 . 1 . 1 6 6 ALA CA C 13 51.839 0.3 . 1 . . . . A 6 ALA CA . 30956 1 61 . 1 . 1 6 6 ALA CB C 13 19.531 0.3 . 1 . . . . A 6 ALA CB . 30956 1 62 . 1 . 1 6 6 ALA N N 15 127.784 0.3 . 1 . . . . A 6 ALA N . 30956 1 63 . 1 . 1 7 7 GLU H H 1 8.186 0.020 . 1 . . . . A 7 GLU H . 30956 1 64 . 1 . 1 7 7 GLU HA H 1 4.226 0.020 . 1 . . . . A 7 GLU HA . 30956 1 65 . 1 . 1 7 7 GLU HB2 H 1 2.082 0.020 . 2 . . . . A 7 GLU HB2 . 30956 1 66 . 1 . 1 7 7 GLU HB3 H 1 1.979 0.020 . 2 . . . . A 7 GLU HB3 . 30956 1 67 . 1 . 1 7 7 GLU HG2 H 1 2.490 0.020 . 2 . . . . A 7 GLU HG2 . 30956 1 68 . 1 . 1 7 7 GLU HG3 H 1 2.419 0.020 . 2 . . . . A 7 GLU HG3 . 30956 1 69 . 1 . 1 7 7 GLU C C 13 175.623 0.3 . 1 . . . . A 7 GLU C . 30956 1 70 . 1 . 1 7 7 GLU CA C 13 56.392 0.3 . 1 . . . . A 7 GLU CA . 30956 1 71 . 1 . 1 7 7 GLU CB C 13 31.362 0.3 . 1 . . . . A 7 GLU CB . 30956 1 72 . 1 . 1 7 7 GLU CG C 13 36.007 0.3 . 1 . . . . A 7 GLU CG . 30956 1 73 . 1 . 1 7 7 GLU N N 15 121.517 0.3 . 1 . . . . A 7 GLU N . 30956 1 74 . 1 . 1 8 8 ASP H H 1 8.489 0.020 . 1 . . . . A 8 ASP H . 30956 1 75 . 1 . 1 8 8 ASP HA H 1 4.578 0.020 . 1 . . . . A 8 ASP HA . 30956 1 76 . 1 . 1 8 8 ASP HB2 H 1 2.474 0.020 . 1 . . . . A 8 ASP HB2 . 30956 1 77 . 1 . 1 8 8 ASP HB3 H 1 2.474 0.020 . 1 . . . . A 8 ASP HB3 . 30956 1 78 . 1 . 1 8 8 ASP C C 13 174.833 0.3 . 1 . . . . A 8 ASP C . 30956 1 79 . 1 . 1 8 8 ASP CA C 13 53.465 0.3 . 1 . . . . A 8 ASP CA . 30956 1 80 . 1 . 1 8 8 ASP CB C 13 41.383 0.3 . 1 . . . . A 8 ASP CB . 30956 1 81 . 1 . 1 8 8 ASP N N 15 124.145 0.3 . 1 . . . . A 8 ASP N . 30956 1 82 . 1 . 1 9 9 CYS H H 1 7.939 0.020 . 1 . . . . A 9 CYS H . 30956 1 83 . 1 . 1 9 9 CYS HA H 1 2.256 0.020 . 1 . . . . A 9 CYS HA . 30956 1 84 . 1 . 1 9 9 CYS HB2 H 1 2.054 0.020 . 2 . . . . A 9 CYS HB2 . 30956 1 85 . 1 . 1 9 9 CYS HB3 H 1 1.173 0.020 . 2 . . . . A 9 CYS HB3 . 30956 1 86 . 1 . 1 9 9 CYS C C 13 172.864 0.3 . 1 . . . . A 9 CYS C . 30956 1 87 . 1 . 1 9 9 CYS CA C 13 56.441 0.3 . 1 . . . . A 9 CYS CA . 30956 1 88 . 1 . 1 9 9 CYS CB C 13 26.191 0.3 . 1 . . . . A 9 CYS CB . 30956 1 89 . 1 . 1 9 9 CYS N N 15 123.370 0.3 . 1 . . . . A 9 CYS N . 30956 1 90 . 1 . 1 10 10 PRO HA H 1 4.497 0.020 . 1 . . . . A 10 PRO HA . 30956 1 91 . 1 . 1 10 10 PRO HB2 H 1 2.167 0.020 . 2 . . . . A 10 PRO HB2 . 30956 1 92 . 1 . 1 10 10 PRO HB3 H 1 1.908 0.020 . 2 . . . . A 10 PRO HB3 . 30956 1 93 . 1 . 1 10 10 PRO HG2 H 1 1.914 0.020 . 2 . . . . A 10 PRO HG2 . 30956 1 94 . 1 . 1 10 10 PRO HG3 H 1 2.270 0.020 . 2 . . . . A 10 PRO HG3 . 30956 1 95 . 1 . 1 10 10 PRO HD2 H 1 3.056 0.020 . 2 . . . . A 10 PRO HD2 . 30956 1 96 . 1 . 1 10 10 PRO HD3 H 1 3.406 0.020 . 2 . . . . A 10 PRO HD3 . 30956 1 97 . 1 . 1 10 10 PRO C C 13 175.067 0.3 . 1 . . . . A 10 PRO C . 30956 1 98 . 1 . 1 10 10 PRO CA C 13 62.258 0.3 . 1 . . . . A 10 PRO CA . 30956 1 99 . 1 . 1 10 10 PRO CB C 13 32.729 0.3 . 1 . . . . A 10 PRO CB . 30956 1 100 . 1 . 1 10 10 PRO CG C 13 26.334 0.3 . 1 . . . . A 10 PRO CG . 30956 1 101 . 1 . 1 10 10 PRO CD C 13 51.304 0.3 . 1 . . . . A 10 PRO CD . 30956 1 102 . 1 . 1 11 11 GLU H H 1 8.155 0.020 . 1 . . . . A 11 GLU H . 30956 1 103 . 1 . 1 11 11 GLU HA H 1 4.167 0.020 . 1 . . . . A 11 GLU HA . 30956 1 104 . 1 . 1 11 11 GLU HB2 H 1 1.854 0.020 . 1 . . . . A 11 GLU HB2 . 30956 1 105 . 1 . 1 11 11 GLU HB3 H 1 1.854 0.020 . 1 . . . . A 11 GLU HB3 . 30956 1 106 . 1 . 1 11 11 GLU HG2 H 1 2.246 0.020 . 1 . . . . A 11 GLU HG2 . 30956 1 107 . 1 . 1 11 11 GLU HG3 H 1 2.246 0.020 . 1 . . . . A 11 GLU HG3 . 30956 1 108 . 1 . 1 11 11 GLU C C 13 176.620 0.3 . 1 . . . . A 11 GLU C . 30956 1 109 . 1 . 1 11 11 GLU CA C 13 56.067 0.3 . 1 . . . . A 11 GLU CA . 30956 1 110 . 1 . 1 11 11 GLU CB C 13 29.720 0.3 . 1 . . . . A 11 GLU CB . 30956 1 111 . 1 . 1 11 11 GLU CG C 13 36.341 0.3 . 1 . . . . A 11 GLU CG . 30956 1 112 . 1 . 1 11 11 GLU N N 15 117.949 0.3 . 1 . . . . A 11 GLU N . 30956 1 113 . 1 . 1 12 12 LEU H H 1 8.874 0.020 . 1 . . . . A 12 LEU H . 30956 1 114 . 1 . 1 12 12 LEU HA H 1 3.988 0.020 . 1 . . . . A 12 LEU HA . 30956 1 115 . 1 . 1 12 12 LEU HB2 H 1 1.291 0.020 . 2 . . . . A 12 LEU HB2 . 30956 1 116 . 1 . 1 12 12 LEU HB3 H 1 1.553 0.020 . 2 . . . . A 12 LEU HB3 . 30956 1 117 . 1 . 1 12 12 LEU HG H 1 1.270 0.020 . 1 . . . . A 12 LEU HG . 30956 1 118 . 1 . 1 12 12 LEU HD11 H 1 0.336 0.020 . 2 . . . . A 12 LEU HD11 . 30956 1 119 . 1 . 1 12 12 LEU HD12 H 1 0.336 0.020 . 2 . . . . A 12 LEU HD12 . 30956 1 120 . 1 . 1 12 12 LEU HD13 H 1 0.336 0.020 . 2 . . . . A 12 LEU HD13 . 30956 1 121 . 1 . 1 12 12 LEU HD21 H 1 -0.624 0.020 . 2 . . . . A 12 LEU HD21 . 30956 1 122 . 1 . 1 12 12 LEU HD22 H 1 -0.624 0.020 . 2 . . . . A 12 LEU HD22 . 30956 1 123 . 1 . 1 12 12 LEU HD23 H 1 -0.624 0.020 . 2 . . . . A 12 LEU HD23 . 30956 1 124 . 1 . 1 12 12 LEU C C 13 176.807 0.3 . 1 . . . . A 12 LEU C . 30956 1 125 . 1 . 1 12 12 LEU CA C 13 55.010 0.3 . 1 . . . . A 12 LEU CA . 30956 1 126 . 1 . 1 12 12 LEU CB C 13 44.620 0.3 . 1 . . . . A 12 LEU CB . 30956 1 127 . 1 . 1 12 12 LEU CG C 13 26.990 0.3 . 1 . . . . A 12 LEU CG . 30956 1 128 . 1 . 1 12 12 LEU CD1 C 13 27.495 0.3 . 1 . . . . A 12 LEU CD1 . 30956 1 129 . 1 . 1 12 12 LEU CD2 C 13 21.197 0.3 . 1 . . . . A 12 LEU CD2 . 30956 1 130 . 1 . 1 12 12 LEU N N 15 124.224 0.3 . 1 . . . . A 12 LEU N . 30956 1 131 . 1 . 1 13 13 VAL H H 1 8.375 0.020 . 1 . . . . A 13 VAL H . 30956 1 132 . 1 . 1 13 13 VAL HA H 1 4.890 0.020 . 1 . . . . A 13 VAL HA . 30956 1 133 . 1 . 1 13 13 VAL HB H 1 2.275 0.020 . 1 . . . . A 13 VAL HB . 30956 1 134 . 1 . 1 13 13 VAL HG11 H 1 0.975 0.020 . 2 . . . . A 13 VAL HG11 . 30956 1 135 . 1 . 1 13 13 VAL HG12 H 1 0.975 0.020 . 2 . . . . A 13 VAL HG12 . 30956 1 136 . 1 . 1 13 13 VAL HG13 H 1 0.975 0.020 . 2 . . . . A 13 VAL HG13 . 30956 1 137 . 1 . 1 13 13 VAL HG21 H 1 0.793 0.020 . 2 . . . . A 13 VAL HG21 . 30956 1 138 . 1 . 1 13 13 VAL HG22 H 1 0.793 0.020 . 2 . . . . A 13 VAL HG22 . 30956 1 139 . 1 . 1 13 13 VAL HG23 H 1 0.793 0.020 . 2 . . . . A 13 VAL HG23 . 30956 1 140 . 1 . 1 13 13 VAL C C 13 173.429 0.3 . 1 . . . . A 13 VAL C . 30956 1 141 . 1 . 1 13 13 VAL CA C 13 57.612 0.3 . 1 . . . . A 13 VAL CA . 30956 1 142 . 1 . 1 13 13 VAL CB C 13 32.625 0.3 . 1 . . . . A 13 VAL CB . 30956 1 143 . 1 . 1 13 13 VAL CG1 C 13 21.740 0.3 . 1 . . . . A 13 VAL CG1 . 30956 1 144 . 1 . 1 13 13 VAL CG2 C 13 18.806 0.3 . 1 . . . . A 13 VAL CG2 . 30956 1 145 . 1 . 1 13 13 VAL N N 15 112.322 0.3 . 1 . . . . A 13 VAL N . 30956 1 146 . 1 . 1 14 14 PRO HA H 1 4.587 0.020 . 1 . . . . A 14 PRO HA . 30956 1 147 . 1 . 1 14 14 PRO HB2 H 1 1.786 0.020 . 2 . . . . A 14 PRO HB2 . 30956 1 148 . 1 . 1 14 14 PRO HB3 H 1 2.372 0.020 . 2 . . . . A 14 PRO HB3 . 30956 1 149 . 1 . 1 14 14 PRO HG2 H 1 1.910 0.020 . 2 . . . . A 14 PRO HG2 . 30956 1 150 . 1 . 1 14 14 PRO HG3 H 1 2.065 0.020 . 2 . . . . A 14 PRO HG3 . 30956 1 151 . 1 . 1 14 14 PRO HD2 H 1 3.627 0.020 . 2 . . . . A 14 PRO HD2 . 30956 1 152 . 1 . 1 14 14 PRO HD3 H 1 3.801 0.020 . 2 . . . . A 14 PRO HD3 . 30956 1 153 . 1 . 1 14 14 PRO C C 13 177.094 0.3 . 1 . . . . A 14 PRO C . 30956 1 154 . 1 . 1 14 14 PRO CA C 13 63.223 0.3 . 1 . . . . A 14 PRO CA . 30956 1 155 . 1 . 1 14 14 PRO CB C 13 32.241 0.3 . 1 . . . . A 14 PRO CB . 30956 1 156 . 1 . 1 14 14 PRO CG C 13 27.764 0.3 . 1 . . . . A 14 PRO CG . 30956 1 157 . 1 . 1 14 14 PRO CD C 13 50.835 0.3 . 1 . . . . A 14 PRO CD . 30956 1 158 . 1 . 1 15 15 ILE H H 1 7.627 0.020 . 1 . . . . A 15 ILE H . 30956 1 159 . 1 . 1 15 15 ILE HA H 1 3.914 0.020 . 1 . . . . A 15 ILE HA . 30956 1 160 . 1 . 1 15 15 ILE HB H 1 1.444 0.020 . 1 . . . . A 15 ILE HB . 30956 1 161 . 1 . 1 15 15 ILE HG12 H 1 0.736 0.020 . 2 . . . . A 15 ILE HG12 . 30956 1 162 . 1 . 1 15 15 ILE HG13 H 1 1.245 0.020 . 2 . . . . A 15 ILE HG13 . 30956 1 163 . 1 . 1 15 15 ILE HG21 H 1 0.697 0.020 . 1 . . . . A 15 ILE HG21 . 30956 1 164 . 1 . 1 15 15 ILE HG22 H 1 0.697 0.020 . 1 . . . . A 15 ILE HG22 . 30956 1 165 . 1 . 1 15 15 ILE HG23 H 1 0.697 0.020 . 1 . . . . A 15 ILE HG23 . 30956 1 166 . 1 . 1 15 15 ILE HD11 H 1 0.371 0.020 . 1 . . . . A 15 ILE HD11 . 30956 1 167 . 1 . 1 15 15 ILE HD12 H 1 0.371 0.020 . 1 . . . . A 15 ILE HD12 . 30956 1 168 . 1 . 1 15 15 ILE HD13 H 1 0.371 0.020 . 1 . . . . A 15 ILE HD13 . 30956 1 169 . 1 . 1 15 15 ILE C C 13 176.066 0.3 . 1 . . . . A 15 ILE C . 30956 1 170 . 1 . 1 15 15 ILE CA C 13 62.491 0.3 . 1 . . . . A 15 ILE CA . 30956 1 171 . 1 . 1 15 15 ILE CB C 13 39.069 0.3 . 1 . . . . A 15 ILE CB . 30956 1 172 . 1 . 1 15 15 ILE CG1 C 13 28.279 0.3 . 1 . . . . A 15 ILE CG1 . 30956 1 173 . 1 . 1 15 15 ILE CG2 C 13 17.143 0.3 . 1 . . . . A 15 ILE CG2 . 30956 1 174 . 1 . 1 15 15 ILE CD1 C 13 14.121 0.3 . 1 . . . . A 15 ILE CD1 . 30956 1 175 . 1 . 1 15 15 ILE N N 15 121.215 0.3 . 1 . . . . A 15 ILE N . 30956 1 176 . 1 . 1 16 16 GLU H H 1 8.509 0.020 . 1 . . . . A 16 GLU H . 30956 1 177 . 1 . 1 16 16 GLU HA H 1 4.355 0.020 . 1 . . . . A 16 GLU HA . 30956 1 178 . 1 . 1 16 16 GLU HB2 H 1 1.997 0.020 . 2 . . . . A 16 GLU HB2 . 30956 1 179 . 1 . 1 16 16 GLU HB3 H 1 1.911 0.020 . 2 . . . . A 16 GLU HB3 . 30956 1 180 . 1 . 1 16 16 GLU HG2 H 1 2.208 0.020 . 1 . . . . A 16 GLU HG2 . 30956 1 181 . 1 . 1 16 16 GLU HG3 H 1 2.208 0.020 . 1 . . . . A 16 GLU HG3 . 30956 1 182 . 1 . 1 16 16 GLU C C 13 176.283 0.3 . 1 . . . . A 16 GLU C . 30956 1 183 . 1 . 1 16 16 GLU CA C 13 56.230 0.3 . 1 . . . . A 16 GLU CA . 30956 1 184 . 1 . 1 16 16 GLU CB C 13 30.705 0.3 . 1 . . . . A 16 GLU CB . 30956 1 185 . 1 . 1 16 16 GLU CG C 13 36.279 0.3 . 1 . . . . A 16 GLU CG . 30956 1 186 . 1 . 1 16 16 GLU N N 15 127.200 0.3 . 1 . . . . A 16 GLU N . 30956 1 187 . 1 . 1 17 17 THR H H 1 8.373 0.020 . 1 . . . . A 17 THR H . 30956 1 188 . 1 . 1 17 17 THR HA H 1 4.275 0.020 . 1 . . . . A 17 THR HA . 30956 1 189 . 1 . 1 17 17 THR HB H 1 4.149 0.020 . 1 . . . . A 17 THR HB . 30956 1 190 . 1 . 1 17 17 THR HG21 H 1 1.131 0.020 . 1 . . . . A 17 THR HG21 . 30956 1 191 . 1 . 1 17 17 THR HG22 H 1 1.131 0.020 . 1 . . . . A 17 THR HG22 . 30956 1 192 . 1 . 1 17 17 THR HG23 H 1 1.131 0.020 . 1 . . . . A 17 THR HG23 . 30956 1 193 . 1 . 1 17 17 THR C C 13 174.738 0.3 . 1 . . . . A 17 THR C . 30956 1 194 . 1 . 1 17 17 THR CA C 13 61.841 0.3 . 1 . . . . A 17 THR CA . 30956 1 195 . 1 . 1 17 17 THR CB C 13 69.728 0.3 . 1 . . . . A 17 THR CB . 30956 1 196 . 1 . 1 17 17 THR CG2 C 13 21.574 0.3 . 1 . . . . A 17 THR CG2 . 30956 1 197 . 1 . 1 17 17 THR N N 15 117.253 0.3 . 1 . . . . A 17 THR N . 30956 1 198 . 1 . 1 18 18 LYS H H 1 8.465 0.020 . 1 . . . . A 18 LYS H . 30956 1 199 . 1 . 1 18 18 LYS HA H 1 4.286 0.020 . 1 . . . . A 18 LYS HA . 30956 1 200 . 1 . 1 18 18 LYS HB2 H 1 1.756 0.020 . 1 . . . . A 18 LYS HB2 . 30956 1 201 . 1 . 1 18 18 LYS HB3 H 1 1.756 0.020 . 1 . . . . A 18 LYS HB3 . 30956 1 202 . 1 . 1 18 18 LYS HG2 H 1 1.384 0.020 . 1 . . . . A 18 LYS HG2 . 30956 1 203 . 1 . 1 18 18 LYS HG3 H 1 1.384 0.020 . 1 . . . . A 18 LYS HG3 . 30956 1 204 . 1 . 1 18 18 LYS HD2 H 1 1.625 0.020 . 1 . . . . A 18 LYS HD2 . 30956 1 205 . 1 . 1 18 18 LYS HD3 H 1 1.625 0.020 . 1 . . . . A 18 LYS HD3 . 30956 1 206 . 1 . 1 18 18 LYS HE2 H 1 2.928 0.020 . 1 . . . . A 18 LYS HE2 . 30956 1 207 . 1 . 1 18 18 LYS HE3 H 1 2.928 0.020 . 1 . . . . A 18 LYS HE3 . 30956 1 208 . 1 . 1 18 18 LYS C C 13 176.283 0.3 . 1 . . . . A 18 LYS C . 30956 1 209 . 1 . 1 18 18 LYS CA C 13 56.448 0.3 . 1 . . . . A 18 LYS CA . 30956 1 210 . 1 . 1 18 18 LYS CB C 13 32.892 0.3 . 1 . . . . A 18 LYS CB . 30956 1 211 . 1 . 1 18 18 LYS CG C 13 24.715 0.3 . 1 . . . . A 18 LYS CG . 30956 1 212 . 1 . 1 18 18 LYS CD C 13 28.929 0.3 . 1 . . . . A 18 LYS CD . 30956 1 213 . 1 . 1 18 18 LYS CE C 13 41.926 0.3 . 1 . . . . A 18 LYS CE . 30956 1 214 . 1 . 1 18 18 LYS N N 15 123.599 0.3 . 1 . . . . A 18 LYS N . 30956 1 215 . 1 . 1 19 19 ASN H H 1 8.437 0.020 . 1 . . . . A 19 ASN H . 30956 1 216 . 1 . 1 19 19 ASN HA H 1 4.613 0.020 . 1 . . . . A 19 ASN HA . 30956 1 217 . 1 . 1 19 19 ASN HB2 H 1 2.837 0.020 . 2 . . . . A 19 ASN HB2 . 30956 1 218 . 1 . 1 19 19 ASN HB3 H 1 2.761 0.020 . 2 . . . . A 19 ASN HB3 . 30956 1 219 . 1 . 1 19 19 ASN HD21 H 1 7.633 0.020 . 1 . . . . A 19 ASN HD21 . 30956 1 220 . 1 . 1 19 19 ASN HD22 H 1 6.964 0.020 . 1 . . . . A 19 ASN HD22 . 30956 1 221 . 1 . 1 19 19 ASN C C 13 175.275 0.3 . 1 . . . . A 19 ASN C . 30956 1 222 . 1 . 1 19 19 ASN CA C 13 53.473 0.3 . 1 . . . . A 19 ASN CA . 30956 1 223 . 1 . 1 19 19 ASN CB C 13 38.502 0.3 . 1 . . . . A 19 ASN CB . 30956 1 224 . 1 . 1 19 19 ASN CG C 13 177.042 0.3 . 1 . . . . A 19 ASN CG . 30956 1 225 . 1 . 1 19 19 ASN N N 15 118.768 0.3 . 1 . . . . A 19 ASN N . 30956 1 226 . 1 . 1 19 19 ASN ND2 N 15 112.965 0.3 . 1 . . . . A 19 ASN ND2 . 30956 1 227 . 1 . 1 20 20 GLN H H 1 8.343 0.020 . 1 . . . . A 20 GLN H . 30956 1 228 . 1 . 1 20 20 GLN HA H 1 4.232 0.020 . 1 . . . . A 20 GLN HA . 30956 1 229 . 1 . 1 20 20 GLN HB2 H 1 2.095 0.020 . 2 . . . . A 20 GLN HB2 . 30956 1 230 . 1 . 1 20 20 GLN HB3 H 1 1.960 0.020 . 2 . . . . A 20 GLN HB3 . 30956 1 231 . 1 . 1 20 20 GLN HG2 H 1 2.301 0.020 . 1 . . . . A 20 GLN HG2 . 30956 1 232 . 1 . 1 20 20 GLN HG3 H 1 2.301 0.020 . 1 . . . . A 20 GLN HG3 . 30956 1 233 . 1 . 1 20 20 GLN HE21 H 1 7.507 0.020 . 1 . . . . A 20 GLN HE21 . 30956 1 234 . 1 . 1 20 20 GLN HE22 H 1 6.848 0.020 . 1 . . . . A 20 GLN HE22 . 30956 1 235 . 1 . 1 20 20 GLN C C 13 176.114 0.3 . 1 . . . . A 20 GLN C . 30956 1 236 . 1 . 1 20 20 GLN CA C 13 56.390 0.3 . 1 . . . . A 20 GLN CA . 30956 1 237 . 1 . 1 20 20 GLN CB C 13 29.204 0.3 . 1 . . . . A 20 GLN CB . 30956 1 238 . 1 . 1 20 20 GLN CG C 13 33.750 0.3 . 1 . . . . A 20 GLN CG . 30956 1 239 . 1 . 1 20 20 GLN N N 15 119.904 0.3 . 1 . . . . A 20 GLN N . 30956 1 240 . 1 . 1 20 20 GLN NE2 N 15 112.219 0.3 . 1 . . . . A 20 GLN NE2 . 30956 1 241 . 1 . 1 21 21 GLU H H 1 8.471 0.020 . 1 . . . . A 21 GLU H . 30956 1 242 . 1 . 1 21 21 GLU HA H 1 4.185 0.020 . 1 . . . . A 21 GLU HA . 30956 1 243 . 1 . 1 21 21 GLU HB2 H 1 1.909 0.020 . 2 . . . . A 21 GLU HB2 . 30956 1 244 . 1 . 1 21 21 GLU HB3 H 1 2.029 0.020 . 2 . . . . A 21 GLU HB3 . 30956 1 245 . 1 . 1 21 21 GLU HG2 H 1 2.224 0.020 . 1 . . . . A 21 GLU HG2 . 30956 1 246 . 1 . 1 21 21 GLU HG3 H 1 2.224 0.020 . 1 . . . . A 21 GLU HG3 . 30956 1 247 . 1 . 1 21 21 GLU C C 13 176.841 0.3 . 1 . . . . A 21 GLU C . 30956 1 248 . 1 . 1 21 21 GLU CA C 13 57.124 0.3 . 1 . . . . A 21 GLU CA . 30956 1 249 . 1 . 1 21 21 GLU CB C 13 29.639 0.3 . 1 . . . . A 21 GLU CB . 30956 1 250 . 1 . 1 21 21 GLU CG C 13 36.369 0.3 . 1 . . . . A 21 GLU CG . 30956 1 251 . 1 . 1 21 21 GLU N N 15 120.829 0.3 . 1 . . . . A 21 GLU N . 30956 1 252 . 1 . 1 22 22 MET H H 1 8.193 0.020 . 1 . . . . A 22 MET H . 30956 1 253 . 1 . 1 22 22 MET HA H 1 4.381 0.020 . 1 . . . . A 22 MET HA . 30956 1 254 . 1 . 1 22 22 MET HB2 H 1 1.979 0.020 . 2 . . . . A 22 MET HB2 . 30956 1 255 . 1 . 1 22 22 MET HB3 H 1 2.073 0.020 . 2 . . . . A 22 MET HB3 . 30956 1 256 . 1 . 1 22 22 MET HG2 H 1 2.478 0.020 . 2 . . . . A 22 MET HG2 . 30956 1 257 . 1 . 1 22 22 MET HG3 H 1 2.568 0.020 . 2 . . . . A 22 MET HG3 . 30956 1 258 . 1 . 1 22 22 MET HE1 H 1 2.044 0.020 . 1 . . . . A 22 MET HE1 . 30956 1 259 . 1 . 1 22 22 MET HE2 H 1 2.044 0.020 . 1 . . . . A 22 MET HE2 . 30956 1 260 . 1 . 1 22 22 MET HE3 H 1 2.044 0.020 . 1 . . . . A 22 MET HE3 . 30956 1 261 . 1 . 1 22 22 MET C C 13 175.987 0.3 . 1 . . . . A 22 MET C . 30956 1 262 . 1 . 1 22 22 MET CA C 13 55.505 0.3 . 1 . . . . A 22 MET CA . 30956 1 263 . 1 . 1 22 22 MET CB C 13 32.492 0.3 . 1 . . . . A 22 MET CB . 30956 1 264 . 1 . 1 22 22 MET CG C 13 32.153 0.3 . 1 . . . . A 22 MET CG . 30956 1 265 . 1 . 1 22 22 MET CE C 13 16.906 0.3 . 1 . . . . A 22 MET CE . 30956 1 266 . 1 . 1 22 22 MET N N 15 119.541 0.3 . 1 . . . . A 22 MET N . 30956 1 267 . 1 . 1 23 23 ALA H H 1 8.117 0.020 . 1 . . . . A 23 ALA H . 30956 1 268 . 1 . 1 23 23 ALA HA H 1 4.226 0.020 . 1 . . . . A 23 ALA HA . 30956 1 269 . 1 . 1 23 23 ALA HB1 H 1 1.331 0.020 . 1 . . . . A 23 ALA HB1 . 30956 1 270 . 1 . 1 23 23 ALA HB2 H 1 1.331 0.020 . 1 . . . . A 23 ALA HB2 . 30956 1 271 . 1 . 1 23 23 ALA HB3 H 1 1.331 0.020 . 1 . . . . A 23 ALA HB3 . 30956 1 272 . 1 . 1 23 23 ALA C C 13 177.157 0.3 . 1 . . . . A 23 ALA C . 30956 1 273 . 1 . 1 23 23 ALA CA C 13 52.552 0.3 . 1 . . . . A 23 ALA CA . 30956 1 274 . 1 . 1 23 23 ALA CB C 13 19.128 0.3 . 1 . . . . A 23 ALA CB . 30956 1 275 . 1 . 1 23 23 ALA N N 15 123.779 0.3 . 1 . . . . A 23 ALA N . 30956 1 276 . 1 . 1 24 24 ALA H H 1 8.099 0.020 . 1 . . . . A 24 ALA H . 30956 1 277 . 1 . 1 24 24 ALA HA H 1 4.283 0.020 . 1 . . . . A 24 ALA HA . 30956 1 278 . 1 . 1 24 24 ALA HB1 H 1 1.328 0.020 . 1 . . . . A 24 ALA HB1 . 30956 1 279 . 1 . 1 24 24 ALA HB2 H 1 1.328 0.020 . 1 . . . . A 24 ALA HB2 . 30956 1 280 . 1 . 1 24 24 ALA HB3 H 1 1.328 0.020 . 1 . . . . A 24 ALA HB3 . 30956 1 281 . 1 . 1 24 24 ALA C C 13 177.496 0.3 . 1 . . . . A 24 ALA C . 30956 1 282 . 1 . 1 24 24 ALA CA C 13 52.159 0.3 . 1 . . . . A 24 ALA CA . 30956 1 283 . 1 . 1 24 24 ALA CB C 13 19.036 0.3 . 1 . . . . A 24 ALA CB . 30956 1 284 . 1 . 1 24 24 ALA N N 15 122.374 0.3 . 1 . . . . A 24 ALA N . 30956 1 285 . 1 . 1 25 25 VAL H H 1 7.956 0.020 . 1 . . . . A 25 VAL H . 30956 1 286 . 1 . 1 25 25 VAL HA H 1 4.022 0.020 . 1 . . . . A 25 VAL HA . 30956 1 287 . 1 . 1 25 25 VAL HB H 1 2.010 0.020 . 1 . . . . A 25 VAL HB . 30956 1 288 . 1 . 1 25 25 VAL HG11 H 1 0.855 0.020 . 2 . . . . A 25 VAL HG11 . 30956 1 289 . 1 . 1 25 25 VAL HG12 H 1 0.855 0.020 . 2 . . . . A 25 VAL HG12 . 30956 1 290 . 1 . 1 25 25 VAL HG13 H 1 0.855 0.020 . 2 . . . . A 25 VAL HG13 . 30956 1 291 . 1 . 1 25 25 VAL HG21 H 1 0.874 0.020 . 2 . . . . A 25 VAL HG21 . 30956 1 292 . 1 . 1 25 25 VAL HG22 H 1 0.874 0.020 . 2 . . . . A 25 VAL HG22 . 30956 1 293 . 1 . 1 25 25 VAL HG23 H 1 0.874 0.020 . 2 . . . . A 25 VAL HG23 . 30956 1 294 . 1 . 1 25 25 VAL C C 13 175.939 0.3 . 1 . . . . A 25 VAL C . 30956 1 295 . 1 . 1 25 25 VAL CA C 13 62.262 0.3 . 1 . . . . A 25 VAL CA . 30956 1 296 . 1 . 1 25 25 VAL CB C 13 32.735 0.3 . 1 . . . . A 25 VAL CB . 30956 1 297 . 1 . 1 25 25 VAL CG1 C 13 21.169 0.3 . 1 . . . . A 25 VAL CG1 . 30956 1 298 . 1 . 1 25 25 VAL CG2 C 13 20.514 0.3 . 1 . . . . A 25 VAL CG2 . 30956 1 299 . 1 . 1 25 25 VAL N N 15 118.771 0.3 . 1 . . . . A 25 VAL N . 30956 1 300 . 1 . 1 26 26 GLU H H 1 8.280 0.020 . 1 . . . . A 26 GLU H . 30956 1 301 . 1 . 1 26 26 GLU HA H 1 4.301 0.020 . 1 . . . . A 26 GLU HA . 30956 1 302 . 1 . 1 26 26 GLU HB2 H 1 1.856 0.020 . 2 . . . . A 26 GLU HB2 . 30956 1 303 . 1 . 1 26 26 GLU HB3 H 1 1.912 0.020 . 2 . . . . A 26 GLU HB3 . 30956 1 304 . 1 . 1 26 26 GLU HG2 H 1 2.158 0.020 . 1 . . . . A 26 GLU HG2 . 30956 1 305 . 1 . 1 26 26 GLU HG3 H 1 2.158 0.020 . 1 . . . . A 26 GLU HG3 . 30956 1 306 . 1 . 1 26 26 GLU C C 13 175.941 0.3 . 1 . . . . A 26 GLU C . 30956 1 307 . 1 . 1 26 26 GLU CA C 13 56.182 0.3 . 1 . . . . A 26 GLU CA . 30956 1 308 . 1 . 1 26 26 GLU CB C 13 30.667 0.3 . 1 . . . . A 26 GLU CB . 30956 1 309 . 1 . 1 26 26 GLU CG C 13 36.205 0.3 . 1 . . . . A 26 GLU CG . 30956 1 310 . 1 . 1 26 26 GLU N N 15 124.358 0.3 . 1 . . . . A 26 GLU N . 30956 1 311 . 1 . 1 27 27 THR H H 1 8.248 0.020 . 1 . . . . A 27 THR H . 30956 1 312 . 1 . 1 27 27 THR HA H 1 4.133 0.020 . 1 . . . . A 27 THR HA . 30956 1 313 . 1 . 1 27 27 THR HB H 1 3.952 0.020 . 1 . . . . A 27 THR HB . 30956 1 314 . 1 . 1 27 27 THR HG21 H 1 1.087 0.020 . 1 . . . . A 27 THR HG21 . 30956 1 315 . 1 . 1 27 27 THR HG22 H 1 1.087 0.020 . 1 . . . . A 27 THR HG22 . 30956 1 316 . 1 . 1 27 27 THR HG23 H 1 1.087 0.020 . 1 . . . . A 27 THR HG23 . 30956 1 317 . 1 . 1 27 27 THR C C 13 173.831 0.3 . 1 . . . . A 27 THR C . 30956 1 318 . 1 . 1 27 27 THR CA C 13 62.282 0.3 . 1 . . . . A 27 THR CA . 30956 1 319 . 1 . 1 27 27 THR CB C 13 69.686 0.3 . 1 . . . . A 27 THR CB . 30956 1 320 . 1 . 1 27 27 THR CG2 C 13 21.552 0.3 . 1 . . . . A 27 THR CG2 . 30956 1 321 . 1 . 1 27 27 THR N N 15 117.677 0.3 . 1 . . . . A 27 THR N . 30956 1 322 . 1 . 1 28 28 ARG H H 1 8.670 0.020 . 1 . . . . A 28 ARG H . 30956 1 323 . 1 . 1 28 28 ARG HA H 1 4.406 0.020 . 1 . . . . A 28 ARG HA . 30956 1 324 . 1 . 1 28 28 ARG HB2 H 1 1.396 0.020 . 2 . . . . A 28 ARG HB2 . 30956 1 325 . 1 . 1 28 28 ARG HB3 H 1 1.578 0.020 . 2 . . . . A 28 ARG HB3 . 30956 1 326 . 1 . 1 28 28 ARG HG2 H 1 1.102 0.020 . 2 . . . . A 28 ARG HG2 . 30956 1 327 . 1 . 1 28 28 ARG HG3 H 1 1.258 0.020 . 2 . . . . A 28 ARG HG3 . 30956 1 328 . 1 . 1 28 28 ARG HD2 H 1 2.357 0.020 . 2 . . . . A 28 ARG HD2 . 30956 1 329 . 1 . 1 28 28 ARG HD3 H 1 2.458 0.020 . 2 . . . . A 28 ARG HD3 . 30956 1 330 . 1 . 1 28 28 ARG C C 13 175.048 0.3 . 1 . . . . A 28 ARG C . 30956 1 331 . 1 . 1 28 28 ARG CA C 13 54.682 0.3 . 1 . . . . A 28 ARG CA . 30956 1 332 . 1 . 1 28 28 ARG CB C 13 31.172 0.3 . 1 . . . . A 28 ARG CB . 30956 1 333 . 1 . 1 28 28 ARG CG C 13 26.841 0.3 . 1 . . . . A 28 ARG CG . 30956 1 334 . 1 . 1 28 28 ARG CD C 13 42.779 0.3 . 1 . . . . A 28 ARG CD . 30956 1 335 . 1 . 1 28 28 ARG N N 15 125.879 0.3 . 1 . . . . A 28 ARG N . 30956 1 336 . 1 . 1 29 29 VAL H H 1 8.341 0.020 . 1 . . . . A 29 VAL H . 30956 1 337 . 1 . 1 29 29 VAL HA H 1 4.069 0.020 . 1 . . . . A 29 VAL HA . 30956 1 338 . 1 . 1 29 29 VAL HB H 1 1.767 0.020 . 1 . . . . A 29 VAL HB . 30956 1 339 . 1 . 1 29 29 VAL HG11 H 1 0.922 0.020 . 2 . . . . A 29 VAL HG11 . 30956 1 340 . 1 . 1 29 29 VAL HG12 H 1 0.922 0.020 . 2 . . . . A 29 VAL HG12 . 30956 1 341 . 1 . 1 29 29 VAL HG13 H 1 0.922 0.020 . 2 . . . . A 29 VAL HG13 . 30956 1 342 . 1 . 1 29 29 VAL HG21 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG21 . 30956 1 343 . 1 . 1 29 29 VAL HG22 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG22 . 30956 1 344 . 1 . 1 29 29 VAL HG23 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG23 . 30956 1 345 . 1 . 1 29 29 VAL C C 13 174.311 0.3 . 1 . . . . A 29 VAL C . 30956 1 346 . 1 . 1 29 29 VAL CA C 13 61.434 0.3 . 1 . . . . A 29 VAL CA . 30956 1 347 . 1 . 1 29 29 VAL CB C 13 33.350 0.3 . 1 . . . . A 29 VAL CB . 30956 1 348 . 1 . 1 29 29 VAL CG1 C 13 21.230 0.3 . 1 . . . . A 29 VAL CG1 . 30956 1 349 . 1 . 1 29 29 VAL CG2 C 13 21.363 0.3 . 1 . . . . A 29 VAL CG2 . 30956 1 350 . 1 . 1 29 29 VAL N N 15 123.607 0.3 . 1 . . . . A 29 VAL N . 30956 1 351 . 1 . 1 30 30 CYS H H 1 8.266 0.020 . 1 . . . . A 30 CYS H . 30956 1 352 . 1 . 1 30 30 CYS HA H 1 3.579 0.020 . 1 . . . . A 30 CYS HA . 30956 1 353 . 1 . 1 30 30 CYS HB2 H 1 2.638 0.020 . 2 . . . . A 30 CYS HB2 . 30956 1 354 . 1 . 1 30 30 CYS HB3 H 1 2.952 0.020 . 2 . . . . A 30 CYS HB3 . 30956 1 355 . 1 . 1 30 30 CYS C C 13 175.295 0.3 . 1 . . . . A 30 CYS C . 30956 1 356 . 1 . 1 30 30 CYS CA C 13 61.341 0.3 . 1 . . . . A 30 CYS CA . 30956 1 357 . 1 . 1 30 30 CYS CB C 13 31.509 0.3 . 1 . . . . A 30 CYS CB . 30956 1 358 . 1 . 1 30 30 CYS N N 15 128.072 0.3 . 1 . . . . A 30 CYS N . 30956 1 359 . 1 . 1 31 31 GLU H H 1 8.242 0.020 . 1 . . . . A 31 GLU H . 30956 1 360 . 1 . 1 31 31 GLU HA H 1 4.048 0.020 . 1 . . . . A 31 GLU HA . 30956 1 361 . 1 . 1 31 31 GLU HB2 H 1 1.871 0.020 . 2 . . . . A 31 GLU HB2 . 30956 1 362 . 1 . 1 31 31 GLU HB3 H 1 1.273 0.020 . 2 . . . . A 31 GLU HB3 . 30956 1 363 . 1 . 1 31 31 GLU HG2 H 1 2.266 0.020 . 2 . . . . A 31 GLU HG2 . 30956 1 364 . 1 . 1 31 31 GLU HG3 H 1 2.485 0.020 . 2 . . . . A 31 GLU HG3 . 30956 1 365 . 1 . 1 31 31 GLU C C 13 178.085 0.3 . 1 . . . . A 31 GLU C . 30956 1 366 . 1 . 1 31 31 GLU CA C 13 57.268 0.3 . 1 . . . . A 31 GLU CA . 30956 1 367 . 1 . 1 31 31 GLU CB C 13 29.562 0.3 . 1 . . . . A 31 GLU CB . 30956 1 368 . 1 . 1 31 31 GLU CG C 13 37.819 0.3 . 1 . . . . A 31 GLU CG . 30956 1 369 . 1 . 1 31 31 GLU N N 15 126.752 0.3 . 1 . . . . A 31 GLU N . 30956 1 370 . 1 . 1 32 32 THR H H 1 9.197 0.020 . 1 . . . . A 32 THR H . 30956 1 371 . 1 . 1 32 32 THR HA H 1 4.212 0.020 . 1 . . . . A 32 THR HA . 30956 1 372 . 1 . 1 32 32 THR HB H 1 4.508 0.020 . 1 . . . . A 32 THR HB . 30956 1 373 . 1 . 1 32 32 THR HG21 H 1 1.197 0.020 . 1 . . . . A 32 THR HG21 . 30956 1 374 . 1 . 1 32 32 THR HG22 H 1 1.197 0.020 . 1 . . . . A 32 THR HG22 . 30956 1 375 . 1 . 1 32 32 THR HG23 H 1 1.197 0.020 . 1 . . . . A 32 THR HG23 . 30956 1 376 . 1 . 1 32 32 THR C C 13 175.942 0.3 . 1 . . . . A 32 THR C . 30956 1 377 . 1 . 1 32 32 THR CA C 13 64.057 0.3 . 1 . . . . A 32 THR CA . 30956 1 378 . 1 . 1 32 32 THR CB C 13 67.974 0.3 . 1 . . . . A 32 THR CB . 30956 1 379 . 1 . 1 32 32 THR CG2 C 13 22.991 0.3 . 1 . . . . A 32 THR CG2 . 30956 1 380 . 1 . 1 32 32 THR N N 15 124.893 0.3 . 1 . . . . A 32 THR N . 30956 1 381 . 1 . 1 33 33 ASP H H 1 9.143 0.020 . 1 . . . . A 33 ASP H . 30956 1 382 . 1 . 1 33 33 ASP HA H 1 4.415 0.020 . 1 . . . . A 33 ASP HA . 30956 1 383 . 1 . 1 33 33 ASP HB2 H 1 2.685 0.020 . 1 . . . . A 33 ASP HB2 . 30956 1 384 . 1 . 1 33 33 ASP HB3 H 1 2.685 0.020 . 1 . . . . A 33 ASP HB3 . 30956 1 385 . 1 . 1 33 33 ASP C C 13 176.507 0.3 . 1 . . . . A 33 ASP C . 30956 1 386 . 1 . 1 33 33 ASP CA C 13 56.090 0.3 . 1 . . . . A 33 ASP CA . 30956 1 387 . 1 . 1 33 33 ASP CB C 13 40.537 0.3 . 1 . . . . A 33 ASP CB . 30956 1 388 . 1 . 1 33 33 ASP N N 15 132.015 0.3 . 1 . . . . A 33 ASP N . 30956 1 389 . 1 . 1 34 34 GLY H H 1 8.888 0.020 . 1 . . . . A 34 GLY H . 30956 1 390 . 1 . 1 34 34 GLY HA2 H 1 3.591 0.020 . 2 . . . . A 34 GLY HA2 . 30956 1 391 . 1 . 1 34 34 GLY HA3 H 1 4.235 0.020 . 2 . . . . A 34 GLY HA3 . 30956 1 392 . 1 . 1 34 34 GLY C C 13 172.984 0.3 . 1 . . . . A 34 GLY C . 30956 1 393 . 1 . 1 34 34 GLY CA C 13 45.115 0.3 . 1 . . . . A 34 GLY CA . 30956 1 394 . 1 . 1 34 34 GLY N N 15 115.588 0.3 . 1 . . . . A 34 GLY N . 30956 1 395 . 1 . 1 35 35 CYS H H 1 7.741 0.020 . 1 . . . . A 35 CYS H . 30956 1 396 . 1 . 1 35 35 CYS HA H 1 4.524 0.020 . 1 . . . . A 35 CYS HA . 30956 1 397 . 1 . 1 35 35 CYS HB2 H 1 2.852 0.020 . 2 . . . . A 35 CYS HB2 . 30956 1 398 . 1 . 1 35 35 CYS HB3 H 1 2.435 0.020 . 2 . . . . A 35 CYS HB3 . 30956 1 399 . 1 . 1 35 35 CYS C C 13 175.283 0.3 . 1 . . . . A 35 CYS C . 30956 1 400 . 1 . 1 35 35 CYS CA C 13 59.040 0.3 . 1 . . . . A 35 CYS CA . 30956 1 401 . 1 . 1 35 35 CYS CB C 13 31.285 0.3 . 1 . . . . A 35 CYS CB . 30956 1 402 . 1 . 1 35 35 CYS N N 15 124.245 0.3 . 1 . . . . A 35 CYS N . 30956 1 403 . 1 . 1 36 36 SER H H 1 8.756 0.020 . 1 . . . . A 36 SER H . 30956 1 404 . 1 . 1 36 36 SER HA H 1 4.747 0.020 . 1 . . . . A 36 SER HA . 30956 1 405 . 1 . 1 36 36 SER HB2 H 1 3.891 0.020 . 1 . . . . A 36 SER HB2 . 30956 1 406 . 1 . 1 36 36 SER HB3 H 1 3.891 0.020 . 1 . . . . A 36 SER HB3 . 30956 1 407 . 1 . 1 36 36 SER C C 13 174.330 0.3 . 1 . . . . A 36 SER C . 30956 1 408 . 1 . 1 36 36 SER CA C 13 56.899 0.3 . 1 . . . . A 36 SER CA . 30956 1 409 . 1 . 1 36 36 SER CB C 13 63.704 0.3 . 1 . . . . A 36 SER CB . 30956 1 410 . 1 . 1 36 36 SER N N 15 122.255 0.3 . 1 . . . . A 36 SER N . 30956 1 411 . 1 . 1 37 37 SER H H 1 8.872 0.020 . 1 . . . . A 37 SER H . 30956 1 412 . 1 . 1 37 37 SER HA H 1 4.354 0.020 . 1 . . . . A 37 SER HA . 30956 1 413 . 1 . 1 37 37 SER HB2 H 1 3.913 0.020 . 1 . . . . A 37 SER HB2 . 30956 1 414 . 1 . 1 37 37 SER HB3 H 1 3.913 0.020 . 1 . . . . A 37 SER HB3 . 30956 1 415 . 1 . 1 37 37 SER C C 13 172.531 0.3 . 1 . . . . A 37 SER C . 30956 1 416 . 1 . 1 37 37 SER CA C 13 59.652 0.3 . 1 . . . . A 37 SER CA . 30956 1 417 . 1 . 1 37 37 SER CB C 13 63.933 0.3 . 1 . . . . A 37 SER CB . 30956 1 418 . 1 . 1 37 37 SER N N 15 121.824 0.3 . 1 . . . . A 37 SER N . 30956 1 419 . 1 . 1 38 38 GLU H H 1 8.537 0.020 . 1 . . . . A 38 GLU H . 30956 1 420 . 1 . 1 38 38 GLU HA H 1 4.176 0.020 . 1 . . . . A 38 GLU HA . 30956 1 421 . 1 . 1 38 38 GLU HB2 H 1 1.811 0.020 . 2 . . . . A 38 GLU HB2 . 30956 1 422 . 1 . 1 38 38 GLU HB3 H 1 1.925 0.020 . 2 . . . . A 38 GLU HB3 . 30956 1 423 . 1 . 1 38 38 GLU HG2 H 1 2.055 0.020 . 2 . . . . A 38 GLU HG2 . 30956 1 424 . 1 . 1 38 38 GLU HG3 H 1 2.326 0.020 . 2 . . . . A 38 GLU HG3 . 30956 1 425 . 1 . 1 38 38 GLU C C 13 175.969 0.3 . 1 . . . . A 38 GLU C . 30956 1 426 . 1 . 1 38 38 GLU CA C 13 56.969 0.3 . 1 . . . . A 38 GLU CA . 30956 1 427 . 1 . 1 38 38 GLU CB C 13 29.880 0.3 . 1 . . . . A 38 GLU CB . 30956 1 428 . 1 . 1 38 38 GLU CG C 13 36.279 0.3 . 1 . . . . A 38 GLU CG . 30956 1 429 . 1 . 1 38 38 GLU N N 15 123.145 0.3 . 1 . . . . A 38 GLU N . 30956 1 430 . 1 . 1 39 39 ALA H H 1 8.433 0.020 . 1 . . . . A 39 ALA H . 30956 1 431 . 1 . 1 39 39 ALA HA H 1 4.003 0.020 . 1 . . . . A 39 ALA HA . 30956 1 432 . 1 . 1 39 39 ALA HB1 H 1 0.853 0.020 . 1 . . . . A 39 ALA HB1 . 30956 1 433 . 1 . 1 39 39 ALA HB2 H 1 0.853 0.020 . 1 . . . . A 39 ALA HB2 . 30956 1 434 . 1 . 1 39 39 ALA HB3 H 1 0.853 0.020 . 1 . . . . A 39 ALA HB3 . 30956 1 435 . 1 . 1 39 39 ALA C C 13 176.103 0.3 . 1 . . . . A 39 ALA C . 30956 1 436 . 1 . 1 39 39 ALA CA C 13 51.501 0.3 . 1 . . . . A 39 ALA CA . 30956 1 437 . 1 . 1 39 39 ALA CB C 13 20.833 0.3 . 1 . . . . A 39 ALA CB . 30956 1 438 . 1 . 1 39 39 ALA N N 15 126.947 0.3 . 1 . . . . A 39 ALA N . 30956 1 439 . 1 . 1 40 40 LYS H H 1 8.069 0.020 . 1 . . . . A 40 LYS H . 30956 1 440 . 1 . 1 40 40 LYS HA H 1 4.481 0.020 . 1 . . . . A 40 LYS HA . 30956 1 441 . 1 . 1 40 40 LYS HB2 H 1 1.582 0.020 . 2 . . . . A 40 LYS HB2 . 30956 1 442 . 1 . 1 40 40 LYS HB3 H 1 2.069 0.020 . 2 . . . . A 40 LYS HB3 . 30956 1 443 . 1 . 1 40 40 LYS HG2 H 1 1.316 0.020 . 1 . . . . A 40 LYS HG2 . 30956 1 444 . 1 . 1 40 40 LYS HG3 H 1 1.316 0.020 . 1 . . . . A 40 LYS HG3 . 30956 1 445 . 1 . 1 40 40 LYS HD2 H 1 1.635 0.020 . 1 . . . . A 40 LYS HD2 . 30956 1 446 . 1 . 1 40 40 LYS HD3 H 1 1.635 0.020 . 1 . . . . A 40 LYS HD3 . 30956 1 447 . 1 . 1 40 40 LYS HE2 H 1 2.897 0.020 . 1 . . . . A 40 LYS HE2 . 30956 1 448 . 1 . 1 40 40 LYS HE3 H 1 2.897 0.020 . 1 . . . . A 40 LYS HE3 . 30956 1 449 . 1 . 1 40 40 LYS C C 13 174.983 0.3 . 1 . . . . A 40 LYS C . 30956 1 450 . 1 . 1 40 40 LYS CA C 13 55.440 0.3 . 1 . . . . A 40 LYS CA . 30956 1 451 . 1 . 1 40 40 LYS CB C 13 34.938 0.3 . 1 . . . . A 40 LYS CB . 30956 1 452 . 1 . 1 40 40 LYS CG C 13 24.985 0.3 . 1 . . . . A 40 LYS CG . 30956 1 453 . 1 . 1 40 40 LYS CD C 13 28.929 0.3 . 1 . . . . A 40 LYS CD . 30956 1 454 . 1 . 1 40 40 LYS CE C 13 41.954 0.3 . 1 . . . . A 40 LYS CE . 30956 1 455 . 1 . 1 40 40 LYS N N 15 119.334 0.3 . 1 . . . . A 40 LYS N . 30956 1 456 . 1 . 1 41 41 LEU H H 1 7.973 0.020 . 1 . . . . A 41 LEU H . 30956 1 457 . 1 . 1 41 41 LEU HA H 1 5.067 0.020 . 1 . . . . A 41 LEU HA . 30956 1 458 . 1 . 1 41 41 LEU HB2 H 1 1.420 0.020 . 2 . . . . A 41 LEU HB2 . 30956 1 459 . 1 . 1 41 41 LEU HB3 H 1 1.576 0.020 . 2 . . . . A 41 LEU HB3 . 30956 1 460 . 1 . 1 41 41 LEU HG H 1 1.402 0.020 . 1 . . . . A 41 LEU HG . 30956 1 461 . 1 . 1 41 41 LEU HD11 H 1 0.738 0.020 . 2 . . . . A 41 LEU HD11 . 30956 1 462 . 1 . 1 41 41 LEU HD12 H 1 0.738 0.020 . 2 . . . . A 41 LEU HD12 . 30956 1 463 . 1 . 1 41 41 LEU HD13 H 1 0.738 0.020 . 2 . . . . A 41 LEU HD13 . 30956 1 464 . 1 . 1 41 41 LEU HD21 H 1 0.654 0.020 . 2 . . . . A 41 LEU HD21 . 30956 1 465 . 1 . 1 41 41 LEU HD22 H 1 0.654 0.020 . 2 . . . . A 41 LEU HD22 . 30956 1 466 . 1 . 1 41 41 LEU HD23 H 1 0.654 0.020 . 2 . . . . A 41 LEU HD23 . 30956 1 467 . 1 . 1 41 41 LEU C C 13 175.124 0.3 . 1 . . . . A 41 LEU C . 30956 1 468 . 1 . 1 41 41 LEU CA C 13 53.763 0.3 . 1 . . . . A 41 LEU CA . 30956 1 469 . 1 . 1 41 41 LEU CB C 13 48.135 0.3 . 1 . . . . A 41 LEU CB . 30956 1 470 . 1 . 1 41 41 LEU CG C 13 27.127 0.3 . 1 . . . . A 41 LEU CG . 30956 1 471 . 1 . 1 41 41 LEU CD1 C 13 26.625 0.3 . 1 . . . . A 41 LEU CD1 . 30956 1 472 . 1 . 1 41 41 LEU CD2 C 13 22.996 0.3 . 1 . . . . A 41 LEU CD2 . 30956 1 473 . 1 . 1 41 41 LEU N N 15 120.966 0.3 . 1 . . . . A 41 LEU N . 30956 1 474 . 1 . 1 42 42 GLN H H 1 9.738 0.020 . 1 . . . . A 42 GLN H . 30956 1 475 . 1 . 1 42 42 GLN HA H 1 5.446 0.020 . 1 . . . . A 42 GLN HA . 30956 1 476 . 1 . 1 42 42 GLN HB2 H 1 1.848 0.020 . 2 . . . . A 42 GLN HB2 . 30956 1 477 . 1 . 1 42 42 GLN HB3 H 1 2.141 0.020 . 2 . . . . A 42 GLN HB3 . 30956 1 478 . 1 . 1 42 42 GLN HG2 H 1 1.737 0.020 . 2 . . . . A 42 GLN HG2 . 30956 1 479 . 1 . 1 42 42 GLN HG3 H 1 1.919 0.020 . 2 . . . . A 42 GLN HG3 . 30956 1 480 . 1 . 1 42 42 GLN HE21 H 1 7.289 0.020 . 1 . . . . A 42 GLN HE21 . 30956 1 481 . 1 . 1 42 42 GLN HE22 H 1 6.956 0.020 . 1 . . . . A 42 GLN HE22 . 30956 1 482 . 1 . 1 42 42 GLN C C 13 173.614 0.3 . 1 . . . . A 42 GLN C . 30956 1 483 . 1 . 1 42 42 GLN CA C 13 53.643 0.3 . 1 . . . . A 42 GLN CA . 30956 1 484 . 1 . 1 42 42 GLN CB C 13 33.355 0.3 . 1 . . . . A 42 GLN CB . 30956 1 485 . 1 . 1 42 42 GLN CG C 13 33.800 0.3 . 1 . . . . A 42 GLN CG . 30956 1 486 . 1 . 1 42 42 GLN N N 15 118.841 0.3 . 1 . . . . A 42 GLN N . 30956 1 487 . 1 . 1 42 42 GLN NE2 N 15 111.644 0.3 . 1 . . . . A 42 GLN NE2 . 30956 1 488 . 1 . 1 43 43 CYS H H 1 7.747 0.020 . 1 . . . . A 43 CYS H . 30956 1 489 . 1 . 1 43 43 CYS HA H 1 4.338 0.020 . 1 . . . . A 43 CYS HA . 30956 1 490 . 1 . 1 43 43 CYS HB2 H 1 2.823 0.020 . 2 . . . . A 43 CYS HB2 . 30956 1 491 . 1 . 1 43 43 CYS HB3 H 1 3.201 0.020 . 2 . . . . A 43 CYS HB3 . 30956 1 492 . 1 . 1 43 43 CYS C C 13 174.969 0.3 . 1 . . . . A 43 CYS C . 30956 1 493 . 1 . 1 43 43 CYS CA C 13 56.244 0.3 . 1 . . . . A 43 CYS CA . 30956 1 494 . 1 . 1 43 43 CYS CB C 13 30.249 0.3 . 1 . . . . A 43 CYS CB . 30956 1 495 . 1 . 1 43 43 CYS N N 15 124.671 0.3 . 1 . . . . A 43 CYS N . 30956 1 496 . 1 . 1 44 44 PRO HA H 1 4.417 0.020 . 1 . . . . A 44 PRO HA . 30956 1 497 . 1 . 1 44 44 PRO HB2 H 1 2.112 0.020 . 2 . . . . A 44 PRO HB2 . 30956 1 498 . 1 . 1 44 44 PRO HB3 H 1 2.270 0.020 . 2 . . . . A 44 PRO HB3 . 30956 1 499 . 1 . 1 44 44 PRO HG2 H 1 2.079 0.020 . 2 . . . . A 44 PRO HG2 . 30956 1 500 . 1 . 1 44 44 PRO HG3 H 1 2.513 0.020 . 2 . . . . A 44 PRO HG3 . 30956 1 501 . 1 . 1 44 44 PRO HD2 H 1 4.053 0.020 . 2 . . . . A 44 PRO HD2 . 30956 1 502 . 1 . 1 44 44 PRO HD3 H 1 4.084 0.020 . 2 . . . . A 44 PRO HD3 . 30956 1 503 . 1 . 1 44 44 PRO C C 13 178.786 0.3 . 1 . . . . A 44 PRO C . 30956 1 504 . 1 . 1 44 44 PRO CA C 13 64.186 0.3 . 1 . . . . A 44 PRO CA . 30956 1 505 . 1 . 1 44 44 PRO CB C 13 31.739 0.3 . 1 . . . . A 44 PRO CB . 30956 1 506 . 1 . 1 44 44 PRO CG C 13 27.016 0.3 . 1 . . . . A 44 PRO CG . 30956 1 507 . 1 . 1 44 44 PRO CD C 13 51.533 0.3 . 1 . . . . A 44 PRO CD . 30956 1 508 . 1 . 1 45 45 THR H H 1 8.193 0.020 . 1 . . . . A 45 THR H . 30956 1 509 . 1 . 1 45 45 THR HA H 1 3.867 0.020 . 1 . . . . A 45 THR HA . 30956 1 510 . 1 . 1 45 45 THR HB H 1 3.636 0.020 . 1 . . . . A 45 THR HB . 30956 1 511 . 1 . 1 45 45 THR HG21 H 1 0.710 0.020 . 1 . . . . A 45 THR HG21 . 30956 1 512 . 1 . 1 45 45 THR HG22 H 1 0.710 0.020 . 1 . . . . A 45 THR HG22 . 30956 1 513 . 1 . 1 45 45 THR HG23 H 1 0.710 0.020 . 1 . . . . A 45 THR HG23 . 30956 1 514 . 1 . 1 45 45 THR C C 13 175.884 0.3 . 1 . . . . A 45 THR C . 30956 1 515 . 1 . 1 45 45 THR CA C 13 66.053 0.3 . 1 . . . . A 45 THR CA . 30956 1 516 . 1 . 1 45 45 THR CB C 13 68.476 0.3 . 1 . . . . A 45 THR CB . 30956 1 517 . 1 . 1 45 45 THR CG2 C 13 21.593 0.3 . 1 . . . . A 45 THR CG2 . 30956 1 518 . 1 . 1 45 45 THR N N 15 124.126 0.3 . 1 . . . . A 45 THR N . 30956 1 519 . 1 . 1 46 46 CYS H H 1 8.713 0.020 . 1 . . . . A 46 CYS H . 30956 1 520 . 1 . 1 46 46 CYS HA H 1 3.890 0.020 . 1 . . . . A 46 CYS HA . 30956 1 521 . 1 . 1 46 46 CYS HB2 H 1 2.997 0.020 . 2 . . . . A 46 CYS HB2 . 30956 1 522 . 1 . 1 46 46 CYS HB3 H 1 3.122 0.020 . 2 . . . . A 46 CYS HB3 . 30956 1 523 . 1 . 1 46 46 CYS C C 13 177.514 0.3 . 1 . . . . A 46 CYS C . 30956 1 524 . 1 . 1 46 46 CYS CA C 13 67.424 0.3 . 1 . . . . A 46 CYS CA . 30956 1 525 . 1 . 1 46 46 CYS CB C 13 28.125 0.3 . 1 . . . . A 46 CYS CB . 30956 1 526 . 1 . 1 46 46 CYS N N 15 126.208 0.3 . 1 . . . . A 46 CYS N . 30956 1 527 . 1 . 1 47 47 ILE H H 1 7.083 0.020 . 1 . . . . A 47 ILE H . 30956 1 528 . 1 . 1 47 47 ILE HA H 1 3.728 0.020 . 1 . . . . A 47 ILE HA . 30956 1 529 . 1 . 1 47 47 ILE HB H 1 1.819 0.020 . 1 . . . . A 47 ILE HB . 30956 1 530 . 1 . 1 47 47 ILE HG12 H 1 0.955 0.020 . 2 . . . . A 47 ILE HG12 . 30956 1 531 . 1 . 1 47 47 ILE HG13 H 1 1.723 0.020 . 2 . . . . A 47 ILE HG13 . 30956 1 532 . 1 . 1 47 47 ILE HG21 H 1 0.850 0.020 . 1 . . . . A 47 ILE HG21 . 30956 1 533 . 1 . 1 47 47 ILE HG22 H 1 0.850 0.020 . 1 . . . . A 47 ILE HG22 . 30956 1 534 . 1 . 1 47 47 ILE HG23 H 1 0.850 0.020 . 1 . . . . A 47 ILE HG23 . 30956 1 535 . 1 . 1 47 47 ILE HD11 H 1 0.730 0.020 . 1 . . . . A 47 ILE HD11 . 30956 1 536 . 1 . 1 47 47 ILE HD12 H 1 0.730 0.020 . 1 . . . . A 47 ILE HD12 . 30956 1 537 . 1 . 1 47 47 ILE HD13 H 1 0.730 0.020 . 1 . . . . A 47 ILE HD13 . 30956 1 538 . 1 . 1 47 47 ILE C C 13 179.957 0.3 . 1 . . . . A 47 ILE C . 30956 1 539 . 1 . 1 47 47 ILE CA C 13 65.034 0.3 . 1 . . . . A 47 ILE CA . 30956 1 540 . 1 . 1 47 47 ILE CB C 13 38.188 0.3 . 1 . . . . A 47 ILE CB . 30956 1 541 . 1 . 1 47 47 ILE CG1 C 13 27.931 0.3 . 1 . . . . A 47 ILE CG1 . 30956 1 542 . 1 . 1 47 47 ILE CG2 C 13 16.887 0.3 . 1 . . . . A 47 ILE CG2 . 30956 1 543 . 1 . 1 47 47 ILE CD1 C 13 13.839 0.3 . 1 . . . . A 47 ILE CD1 . 30956 1 544 . 1 . 1 47 47 ILE N N 15 116.526 0.3 . 1 . . . . A 47 ILE N . 30956 1 545 . 1 . 1 48 48 LYS H H 1 7.305 0.020 . 1 . . . . A 48 LYS H . 30956 1 546 . 1 . 1 48 48 LYS HA H 1 3.999 0.020 . 1 . . . . A 48 LYS HA . 30956 1 547 . 1 . 1 48 48 LYS HB2 H 1 1.966 0.020 . 1 . . . . A 48 LYS HB2 . 30956 1 548 . 1 . 1 48 48 LYS HB3 H 1 1.966 0.020 . 1 . . . . A 48 LYS HB3 . 30956 1 549 . 1 . 1 48 48 LYS HG2 H 1 1.453 0.020 . 2 . . . . A 48 LYS HG2 . 30956 1 550 . 1 . 1 48 48 LYS HG3 H 1 1.568 0.020 . 2 . . . . A 48 LYS HG3 . 30956 1 551 . 1 . 1 48 48 LYS HD2 H 1 1.673 0.020 . 1 . . . . A 48 LYS HD2 . 30956 1 552 . 1 . 1 48 48 LYS HD3 H 1 1.673 0.020 . 1 . . . . A 48 LYS HD3 . 30956 1 553 . 1 . 1 48 48 LYS HE2 H 1 2.945 0.020 . 1 . . . . A 48 LYS HE2 . 30956 1 554 . 1 . 1 48 48 LYS HE3 H 1 2.945 0.020 . 1 . . . . A 48 LYS HE3 . 30956 1 555 . 1 . 1 48 48 LYS C C 13 178.376 0.3 . 1 . . . . A 48 LYS C . 30956 1 556 . 1 . 1 48 48 LYS CA C 13 59.116 0.3 . 1 . . . . A 48 LYS CA . 30956 1 557 . 1 . 1 48 48 LYS CB C 13 32.274 0.3 . 1 . . . . A 48 LYS CB . 30956 1 558 . 1 . 1 48 48 LYS CG C 13 25.043 0.3 . 1 . . . . A 48 LYS CG . 30956 1 559 . 1 . 1 48 48 LYS CD C 13 29.198 0.3 . 1 . . . . A 48 LYS CD . 30956 1 560 . 1 . 1 48 48 LYS CE C 13 41.926 0.3 . 1 . . . . A 48 LYS CE . 30956 1 561 . 1 . 1 48 48 LYS N N 15 120.696 0.3 . 1 . . . . A 48 LYS N . 30956 1 562 . 1 . 1 49 49 LEU H H 1 7.862 0.020 . 1 . . . . A 49 LEU H . 30956 1 563 . 1 . 1 49 49 LEU HA H 1 4.247 0.020 . 1 . . . . A 49 LEU HA . 30956 1 564 . 1 . 1 49 49 LEU HB2 H 1 1.690 0.020 . 2 . . . . A 49 LEU HB2 . 30956 1 565 . 1 . 1 49 49 LEU HB3 H 1 1.557 0.020 . 2 . . . . A 49 LEU HB3 . 30956 1 566 . 1 . 1 49 49 LEU HG H 1 1.728 0.020 . 1 . . . . A 49 LEU HG . 30956 1 567 . 1 . 1 49 49 LEU HD11 H 1 0.718 0.020 . 2 . . . . A 49 LEU HD11 . 30956 1 568 . 1 . 1 49 49 LEU HD12 H 1 0.718 0.020 . 2 . . . . A 49 LEU HD12 . 30956 1 569 . 1 . 1 49 49 LEU HD13 H 1 0.718 0.020 . 2 . . . . A 49 LEU HD13 . 30956 1 570 . 1 . 1 49 49 LEU HD21 H 1 0.794 0.020 . 2 . . . . A 49 LEU HD21 . 30956 1 571 . 1 . 1 49 49 LEU HD22 H 1 0.794 0.020 . 2 . . . . A 49 LEU HD22 . 30956 1 572 . 1 . 1 49 49 LEU HD23 H 1 0.794 0.020 . 2 . . . . A 49 LEU HD23 . 30956 1 573 . 1 . 1 49 49 LEU C C 13 177.055 0.3 . 1 . . . . A 49 LEU C . 30956 1 574 . 1 . 1 49 49 LEU CA C 13 54.870 0.3 . 1 . . . . A 49 LEU CA . 30956 1 575 . 1 . 1 49 49 LEU CB C 13 43.123 0.3 . 1 . . . . A 49 LEU CB . 30956 1 576 . 1 . 1 49 49 LEU CG C 13 26.358 0.3 . 1 . . . . A 49 LEU CG . 30956 1 577 . 1 . 1 49 49 LEU CD1 C 13 26.327 0.3 . 1 . . . . A 49 LEU CD1 . 30956 1 578 . 1 . 1 49 49 LEU CD2 C 13 22.006 0.3 . 1 . . . . A 49 LEU CD2 . 30956 1 579 . 1 . 1 49 49 LEU N N 15 116.694 0.3 . 1 . . . . A 49 LEU N . 30956 1 580 . 1 . 1 50 50 GLY H H 1 7.849 0.020 . 1 . . . . A 50 GLY H . 30956 1 581 . 1 . 1 50 50 GLY HA2 H 1 3.772 0.020 . 2 . . . . A 50 GLY HA2 . 30956 1 582 . 1 . 1 50 50 GLY HA3 H 1 4.042 0.020 . 2 . . . . A 50 GLY HA3 . 30956 1 583 . 1 . 1 50 50 GLY C C 13 174.539 0.3 . 1 . . . . A 50 GLY C . 30956 1 584 . 1 . 1 50 50 GLY CA C 13 45.971 0.3 . 1 . . . . A 50 GLY CA . 30956 1 585 . 1 . 1 50 50 GLY N N 15 109.008 0.3 . 1 . . . . A 50 GLY N . 30956 1 586 . 1 . 1 51 51 ILE H H 1 8.164 0.020 . 1 . . . . A 51 ILE H . 30956 1 587 . 1 . 1 51 51 ILE HA H 1 4.006 0.020 . 1 . . . . A 51 ILE HA . 30956 1 588 . 1 . 1 51 51 ILE HB H 1 1.819 0.020 . 1 . . . . A 51 ILE HB . 30956 1 589 . 1 . 1 51 51 ILE HG12 H 1 1.500 0.020 . 1 . . . . A 51 ILE HG12 . 30956 1 590 . 1 . 1 51 51 ILE HG13 H 1 1.500 0.020 . 1 . . . . A 51 ILE HG13 . 30956 1 591 . 1 . 1 51 51 ILE HG21 H 1 0.931 0.020 . 1 . . . . A 51 ILE HG21 . 30956 1 592 . 1 . 1 51 51 ILE HG22 H 1 0.931 0.020 . 1 . . . . A 51 ILE HG22 . 30956 1 593 . 1 . 1 51 51 ILE HG23 H 1 0.931 0.020 . 1 . . . . A 51 ILE HG23 . 30956 1 594 . 1 . 1 51 51 ILE HD11 H 1 1.000 0.020 . 1 . . . . A 51 ILE HD11 . 30956 1 595 . 1 . 1 51 51 ILE HD12 H 1 1.000 0.020 . 1 . . . . A 51 ILE HD12 . 30956 1 596 . 1 . 1 51 51 ILE HD13 H 1 1.000 0.020 . 1 . . . . A 51 ILE HD13 . 30956 1 597 . 1 . 1 51 51 ILE C C 13 175.959 0.3 . 1 . . . . A 51 ILE C . 30956 1 598 . 1 . 1 51 51 ILE CA C 13 61.334 0.3 . 1 . . . . A 51 ILE CA . 30956 1 599 . 1 . 1 51 51 ILE CB C 13 38.855 0.3 . 1 . . . . A 51 ILE CB . 30956 1 600 . 1 . 1 51 51 ILE CG1 C 13 27.405 0.3 . 1 . . . . A 51 ILE CG1 . 30956 1 601 . 1 . 1 51 51 ILE CG2 C 13 17.650 0.3 . 1 . . . . A 51 ILE CG2 . 30956 1 602 . 1 . 1 51 51 ILE CD1 C 13 15.003 0.3 . 1 . . . . A 51 ILE CD1 . 30956 1 603 . 1 . 1 51 51 ILE N N 15 122.384 0.3 . 1 . . . . A 51 ILE N . 30956 1 604 . 1 . 1 52 52 GLN H H 1 8.636 0.020 . 1 . . . . A 52 GLN H . 30956 1 605 . 1 . 1 52 52 GLN HA H 1 4.256 0.020 . 1 . . . . A 52 GLN HA . 30956 1 606 . 1 . 1 52 52 GLN HB2 H 1 1.939 0.020 . 2 . . . . A 52 GLN HB2 . 30956 1 607 . 1 . 1 52 52 GLN HB3 H 1 2.084 0.020 . 2 . . . . A 52 GLN HB3 . 30956 1 608 . 1 . 1 52 52 GLN HG2 H 1 2.353 0.020 . 2 . . . . A 52 GLN HG2 . 30956 1 609 . 1 . 1 52 52 GLN HG3 H 1 2.371 0.020 . 2 . . . . A 52 GLN HG3 . 30956 1 610 . 1 . 1 52 52 GLN HE21 H 1 7.479 0.020 . 1 . . . . A 52 GLN HE21 . 30956 1 611 . 1 . 1 52 52 GLN HE22 H 1 6.860 0.020 . 1 . . . . A 52 GLN HE22 . 30956 1 612 . 1 . 1 52 52 GLN C C 13 176.491 0.3 . 1 . . . . A 52 GLN C . 30956 1 613 . 1 . 1 52 52 GLN CA C 13 55.547 0.3 . 1 . . . . A 52 GLN CA . 30956 1 614 . 1 . 1 52 52 GLN CB C 13 29.221 0.3 . 1 . . . . A 52 GLN CB . 30956 1 615 . 1 . 1 52 52 GLN CG C 13 33.695 0.3 . 1 . . . . A 52 GLN CG . 30956 1 616 . 1 . 1 52 52 GLN CD C 13 180.468 0.3 . 1 . . . . A 52 GLN CD . 30956 1 617 . 1 . 1 52 52 GLN N N 15 126.771 0.3 . 1 . . . . A 52 GLN N . 30956 1 618 . 1 . 1 52 52 GLN NE2 N 15 112.745 0.3 . 1 . . . . A 52 GLN NE2 . 30956 1 619 . 1 . 1 53 53 GLY H H 1 8.115 0.020 . 1 . . . . A 53 GLY H . 30956 1 620 . 1 . 1 53 53 GLY HA2 H 1 3.256 0.020 . 2 . . . . A 53 GLY HA2 . 30956 1 621 . 1 . 1 53 53 GLY HA3 H 1 3.849 0.020 . 2 . . . . A 53 GLY HA3 . 30956 1 622 . 1 . 1 53 53 GLY C C 13 173.870 0.3 . 1 . . . . A 53 GLY C . 30956 1 623 . 1 . 1 53 53 GLY CA C 13 45.583 0.3 . 1 . . . . A 53 GLY CA . 30956 1 624 . 1 . 1 53 53 GLY N N 15 109.037 0.3 . 1 . . . . A 53 GLY N . 30956 1 625 . 1 . 1 54 54 SER H H 1 8.671 0.020 . 1 . . . . A 54 SER H . 30956 1 626 . 1 . 1 54 54 SER HA H 1 4.243 0.020 . 1 . . . . A 54 SER HA . 30956 1 627 . 1 . 1 54 54 SER HB2 H 1 3.880 0.020 . 1 . . . . A 54 SER HB2 . 30956 1 628 . 1 . 1 54 54 SER HB3 H 1 3.880 0.020 . 1 . . . . A 54 SER HB3 . 30956 1 629 . 1 . 1 54 54 SER C C 13 172.348 0.3 . 1 . . . . A 54 SER C . 30956 1 630 . 1 . 1 54 54 SER CA C 13 56.450 0.3 . 1 . . . . A 54 SER CA . 30956 1 631 . 1 . 1 54 54 SER CB C 13 61.628 0.3 . 1 . . . . A 54 SER CB . 30956 1 632 . 1 . 1 54 54 SER N N 15 119.096 0.3 . 1 . . . . A 54 SER N . 30956 1 633 . 1 . 1 55 55 TYR H H 1 7.175 0.020 . 1 . . . . A 55 TYR H . 30956 1 634 . 1 . 1 55 55 TYR HA H 1 5.314 0.020 . 1 . . . . A 55 TYR HA . 30956 1 635 . 1 . 1 55 55 TYR HB2 H 1 2.556 0.020 . 2 . . . . A 55 TYR HB2 . 30956 1 636 . 1 . 1 55 55 TYR HB3 H 1 2.642 0.020 . 2 . . . . A 55 TYR HB3 . 30956 1 637 . 1 . 1 55 55 TYR HD1 H 1 6.910 0.020 . 1 . . . . A 55 TYR HD1 . 30956 1 638 . 1 . 1 55 55 TYR HD2 H 1 6.910 0.020 . 1 . . . . A 55 TYR HD2 . 30956 1 639 . 1 . 1 55 55 TYR HE1 H 1 6.698 0.020 . 1 . . . . A 55 TYR HE1 . 30956 1 640 . 1 . 1 55 55 TYR HE2 H 1 6.698 0.020 . 1 . . . . A 55 TYR HE2 . 30956 1 641 . 1 . 1 55 55 TYR C C 13 173.882 0.3 . 1 . . . . A 55 TYR C . 30956 1 642 . 1 . 1 55 55 TYR CA C 13 54.500 0.3 . 1 . . . . A 55 TYR CA . 30956 1 643 . 1 . 1 55 55 TYR CB C 13 39.379 0.3 . 1 . . . . A 55 TYR CB . 30956 1 644 . 1 . 1 55 55 TYR CD1 C 13 132.492 0.3 . 1 . . . . A 55 TYR CD1 . 30956 1 645 . 1 . 1 55 55 TYR CD2 C 13 132.492 0.3 . 1 . . . . A 55 TYR CD2 . 30956 1 646 . 1 . 1 55 55 TYR CE1 C 13 117.659 0.3 . 1 . . . . A 55 TYR CE1 . 30956 1 647 . 1 . 1 55 55 TYR CE2 C 13 117.659 0.3 . 1 . . . . A 55 TYR CE2 . 30956 1 648 . 1 . 1 55 55 TYR N N 15 123.034 0.3 . 1 . . . . A 55 TYR N . 30956 1 649 . 1 . 1 56 56 PHE H H 1 8.621 0.020 . 1 . . . . A 56 PHE H . 30956 1 650 . 1 . 1 56 56 PHE HA H 1 5.970 0.020 . 1 . . . . A 56 PHE HA . 30956 1 651 . 1 . 1 56 56 PHE HB2 H 1 2.208 0.020 . 2 . . . . A 56 PHE HB2 . 30956 1 652 . 1 . 1 56 56 PHE HB3 H 1 3.068 0.020 . 2 . . . . A 56 PHE HB3 . 30956 1 653 . 1 . 1 56 56 PHE HD1 H 1 6.004 0.020 . 1 . . . . A 56 PHE HD1 . 30956 1 654 . 1 . 1 56 56 PHE HD2 H 1 6.004 0.020 . 1 . . . . A 56 PHE HD2 . 30956 1 655 . 1 . 1 56 56 PHE HE1 H 1 7.293 0.020 . 1 . . . . A 56 PHE HE1 . 30956 1 656 . 1 . 1 56 56 PHE HE2 H 1 7.293 0.020 . 1 . . . . A 56 PHE HE2 . 30956 1 657 . 1 . 1 56 56 PHE HZ H 1 6.487 0.020 . 1 . . . . A 56 PHE HZ . 30956 1 658 . 1 . 1 56 56 PHE C C 13 176.345 0.3 . 1 . . . . A 56 PHE C . 30956 1 659 . 1 . 1 56 56 PHE CA C 13 56.253 0.3 . 1 . . . . A 56 PHE CA . 30956 1 660 . 1 . 1 56 56 PHE CB C 13 45.777 0.3 . 1 . . . . A 56 PHE CB . 30956 1 661 . 1 . 1 56 56 PHE CD1 C 13 126.016 0.3 . 1 . . . . A 56 PHE CD1 . 30956 1 662 . 1 . 1 56 56 PHE CD2 C 13 126.016 0.3 . 1 . . . . A 56 PHE CD2 . 30956 1 663 . 1 . 1 56 56 PHE N N 15 116.797 0.3 . 1 . . . . A 56 PHE N . 30956 1 664 . 1 . 1 57 57 CYS H H 1 10.364 0.020 . 1 . . . . A 57 CYS H . 30956 1 665 . 1 . 1 57 57 CYS HA H 1 4.712 0.020 . 1 . . . . A 57 CYS HA . 30956 1 666 . 1 . 1 57 57 CYS HB2 H 1 2.622 0.020 . 2 . . . . A 57 CYS HB2 . 30956 1 667 . 1 . 1 57 57 CYS HB3 H 1 3.064 0.020 . 2 . . . . A 57 CYS HB3 . 30956 1 668 . 1 . 1 57 57 CYS C C 13 175.789 0.3 . 1 . . . . A 57 CYS C . 30956 1 669 . 1 . 1 57 57 CYS CA C 13 60.115 0.3 . 1 . . . . A 57 CYS CA . 30956 1 670 . 1 . 1 57 57 CYS CB C 13 31.412 0.3 . 1 . . . . A 57 CYS CB . 30956 1 671 . 1 . 1 57 57 CYS N N 15 121.885 0.3 . 1 . . . . A 57 CYS N . 30956 1 672 . 1 . 1 58 58 SER H H 1 7.316 0.020 . 1 . . . . A 58 SER H . 30956 1 673 . 1 . 1 58 58 SER HA H 1 4.548 0.020 . 1 . . . . A 58 SER HA . 30956 1 674 . 1 . 1 58 58 SER HB2 H 1 4.105 0.020 . 2 . . . . A 58 SER HB2 . 30956 1 675 . 1 . 1 58 58 SER HB3 H 1 4.201 0.020 . 2 . . . . A 58 SER HB3 . 30956 1 676 . 1 . 1 58 58 SER HG H 1 5.116 0.020 . 1 . . . . A 58 SER HG . 30956 1 677 . 1 . 1 58 58 SER C C 13 172.925 0.3 . 1 . . . . A 58 SER C . 30956 1 678 . 1 . 1 58 58 SER CA C 13 57.274 0.3 . 1 . . . . A 58 SER CA . 30956 1 679 . 1 . 1 58 58 SER CB C 13 65.052 0.3 . 1 . . . . A 58 SER CB . 30956 1 680 . 1 . 1 58 58 SER N N 15 113.301 0.3 . 1 . . . . A 58 SER N . 30956 1 681 . 1 . 1 59 59 GLN H H 1 9.315 0.020 . 1 . . . . A 59 GLN H . 30956 1 682 . 1 . 1 59 59 GLN HA H 1 3.819 0.020 . 1 . . . . A 59 GLN HA . 30956 1 683 . 1 . 1 59 59 GLN HB2 H 1 2.252 0.020 . 2 . . . . A 59 GLN HB2 . 30956 1 684 . 1 . 1 59 59 GLN HB3 H 1 1.936 0.020 . 2 . . . . A 59 GLN HB3 . 30956 1 685 . 1 . 1 59 59 GLN HG2 H 1 2.580 0.020 . 1 . . . . A 59 GLN HG2 . 30956 1 686 . 1 . 1 59 59 GLN HG3 H 1 2.580 0.020 . 1 . . . . A 59 GLN HG3 . 30956 1 687 . 1 . 1 59 59 GLN HE21 H 1 7.761 0.020 . 1 . . . . A 59 GLN HE21 . 30956 1 688 . 1 . 1 59 59 GLN HE22 H 1 6.890 0.020 . 1 . . . . A 59 GLN HE22 . 30956 1 689 . 1 . 1 59 59 GLN C C 13 177.759 0.3 . 1 . . . . A 59 GLN C . 30956 1 690 . 1 . 1 59 59 GLN CA C 13 58.569 0.3 . 1 . . . . A 59 GLN CA . 30956 1 691 . 1 . 1 59 59 GLN CB C 13 27.615 0.3 . 1 . . . . A 59 GLN CB . 30956 1 692 . 1 . 1 59 59 GLN CG C 13 32.335 0.3 . 1 . . . . A 59 GLN CG . 30956 1 693 . 1 . 1 59 59 GLN CD C 13 178.832 0.3 . 1 . . . . A 59 GLN CD . 30956 1 694 . 1 . 1 59 59 GLN N N 15 123.690 0.3 . 1 . . . . A 59 GLN N . 30956 1 695 . 1 . 1 59 59 GLN NE2 N 15 113.260 0.3 . 1 . . . . A 59 GLN NE2 . 30956 1 696 . 1 . 1 60 60 GLU H H 1 9.061 0.020 . 1 . . . . A 60 GLU H . 30956 1 697 . 1 . 1 60 60 GLU HA H 1 3.926 0.020 . 1 . . . . A 60 GLU HA . 30956 1 698 . 1 . 1 60 60 GLU HB2 H 1 1.928 0.020 . 2 . . . . A 60 GLU HB2 . 30956 1 699 . 1 . 1 60 60 GLU HB3 H 1 2.021 0.020 . 2 . . . . A 60 GLU HB3 . 30956 1 700 . 1 . 1 60 60 GLU HG2 H 1 2.250 0.020 . 2 . . . . A 60 GLU HG2 . 30956 1 701 . 1 . 1 60 60 GLU HG3 H 1 2.384 0.020 . 2 . . . . A 60 GLU HG3 . 30956 1 702 . 1 . 1 60 60 GLU C C 13 178.364 0.3 . 1 . . . . A 60 GLU C . 30956 1 703 . 1 . 1 60 60 GLU CA C 13 60.201 0.3 . 1 . . . . A 60 GLU CA . 30956 1 704 . 1 . 1 60 60 GLU CB C 13 29.055 0.3 . 1 . . . . A 60 GLU CB . 30956 1 705 . 1 . 1 60 60 GLU CG C 13 36.459 0.3 . 1 . . . . A 60 GLU CG . 30956 1 706 . 1 . 1 60 60 GLU N N 15 117.457 0.3 . 1 . . . . A 60 GLU N . 30956 1 707 . 1 . 1 61 61 CYS H H 1 7.517 0.020 . 1 . . . . A 61 CYS H . 30956 1 708 . 1 . 1 61 61 CYS HA H 1 4.028 0.020 . 1 . . . . A 61 CYS HA . 30956 1 709 . 1 . 1 61 61 CYS HB2 H 1 2.772 0.020 . 2 . . . . A 61 CYS HB2 . 30956 1 710 . 1 . 1 61 61 CYS HB3 H 1 3.168 0.020 . 2 . . . . A 61 CYS HB3 . 30956 1 711 . 1 . 1 61 61 CYS C C 13 178.480 0.3 . 1 . . . . A 61 CYS C . 30956 1 712 . 1 . 1 61 61 CYS CA C 13 62.808 0.3 . 1 . . . . A 61 CYS CA . 30956 1 713 . 1 . 1 61 61 CYS CB C 13 31.181 0.3 . 1 . . . . A 61 CYS CB . 30956 1 714 . 1 . 1 61 61 CYS N N 15 123.253 0.3 . 1 . . . . A 61 CYS N . 30956 1 715 . 1 . 1 62 62 PHE H H 1 7.676 0.020 . 1 . . . . A 62 PHE H . 30956 1 716 . 1 . 1 62 62 PHE HA H 1 3.816 0.020 . 1 . . . . A 62 PHE HA . 30956 1 717 . 1 . 1 62 62 PHE HB2 H 1 2.563 0.020 . 2 . . . . A 62 PHE HB2 . 30956 1 718 . 1 . 1 62 62 PHE HB3 H 1 2.835 0.020 . 2 . . . . A 62 PHE HB3 . 30956 1 719 . 1 . 1 62 62 PHE HD1 H 1 7.675 0.020 . 1 . . . . A 62 PHE HD1 . 30956 1 720 . 1 . 1 62 62 PHE HD2 H 1 7.675 0.020 . 1 . . . . A 62 PHE HD2 . 30956 1 721 . 1 . 1 62 62 PHE HE1 H 1 6.719 0.020 . 1 . . . . A 62 PHE HE1 . 30956 1 722 . 1 . 1 62 62 PHE HE2 H 1 6.719 0.020 . 1 . . . . A 62 PHE HE2 . 30956 1 723 . 1 . 1 62 62 PHE HZ H 1 5.800 0.020 . 1 . . . . A 62 PHE HZ . 30956 1 724 . 1 . 1 62 62 PHE C C 13 177.042 0.3 . 1 . . . . A 62 PHE C . 30956 1 725 . 1 . 1 62 62 PHE CA C 13 59.376 0.3 . 1 . . . . A 62 PHE CA . 30956 1 726 . 1 . 1 62 62 PHE CB C 13 40.827 0.3 . 1 . . . . A 62 PHE CB . 30956 1 727 . 1 . 1 62 62 PHE CD1 C 13 128.716 0.3 . 1 . . . . A 62 PHE CD1 . 30956 1 728 . 1 . 1 62 62 PHE CD2 C 13 128.716 0.3 . 1 . . . . A 62 PHE CD2 . 30956 1 729 . 1 . 1 62 62 PHE N N 15 118.577 0.3 . 1 . . . . A 62 PHE N . 30956 1 730 . 1 . 1 63 63 LYS H H 1 8.782 0.020 . 1 . . . . A 63 LYS H . 30956 1 731 . 1 . 1 63 63 LYS HA H 1 3.848 0.020 . 1 . . . . A 63 LYS HA . 30956 1 732 . 1 . 1 63 63 LYS HB2 H 1 1.865 0.020 . 1 . . . . A 63 LYS HB2 . 30956 1 733 . 1 . 1 63 63 LYS HB3 H 1 1.865 0.020 . 1 . . . . A 63 LYS HB3 . 30956 1 734 . 1 . 1 63 63 LYS HG2 H 1 1.416 0.020 . 2 . . . . A 63 LYS HG2 . 30956 1 735 . 1 . 1 63 63 LYS HG3 H 1 1.504 0.020 . 2 . . . . A 63 LYS HG3 . 30956 1 736 . 1 . 1 63 63 LYS HD2 H 1 1.574 0.020 . 2 . . . . A 63 LYS HD2 . 30956 1 737 . 1 . 1 63 63 LYS HD3 H 1 1.670 0.020 . 2 . . . . A 63 LYS HD3 . 30956 1 738 . 1 . 1 63 63 LYS HE2 H 1 2.890 0.020 . 1 . . . . A 63 LYS HE2 . 30956 1 739 . 1 . 1 63 63 LYS HE3 H 1 2.890 0.020 . 1 . . . . A 63 LYS HE3 . 30956 1 740 . 1 . 1 63 63 LYS C C 13 180.248 0.3 . 1 . . . . A 63 LYS C . 30956 1 741 . 1 . 1 63 63 LYS CA C 13 59.601 0.3 . 1 . . . . A 63 LYS CA . 30956 1 742 . 1 . 1 63 63 LYS CB C 13 32.062 0.3 . 1 . . . . A 63 LYS CB . 30956 1 743 . 1 . 1 63 63 LYS CG C 13 25.075 0.3 . 1 . . . . A 63 LYS CG . 30956 1 744 . 1 . 1 63 63 LYS CD C 13 29.377 0.3 . 1 . . . . A 63 LYS CD . 30956 1 745 . 1 . 1 63 63 LYS CE C 13 41.837 0.3 . 1 . . . . A 63 LYS CE . 30956 1 746 . 1 . 1 63 63 LYS N N 15 118.547 0.3 . 1 . . . . A 63 LYS N . 30956 1 747 . 1 . 1 64 64 GLY H H 1 7.751 0.020 . 1 . . . . A 64 GLY H . 30956 1 748 . 1 . 1 64 64 GLY HA2 H 1 4.004 0.020 . 2 . . . . A 64 GLY HA2 . 30956 1 749 . 1 . 1 64 64 GLY HA3 H 1 4.185 0.020 . 2 . . . . A 64 GLY HA3 . 30956 1 750 . 1 . 1 64 64 GLY C C 13 175.851 0.3 . 1 . . . . A 64 GLY C . 30956 1 751 . 1 . 1 64 64 GLY CA C 13 46.730 0.3 . 1 . . . . A 64 GLY CA . 30956 1 752 . 1 . 1 64 64 GLY N N 15 105.650 0.3 . 1 . . . . A 64 GLY N . 30956 1 753 . 1 . 1 65 65 SER H H 1 7.660 0.020 . 1 . . . . A 65 SER H . 30956 1 754 . 1 . 1 65 65 SER HA H 1 4.817 0.020 . 1 . . . . A 65 SER HA . 30956 1 755 . 1 . 1 65 65 SER HB2 H 1 4.077 0.020 . 2 . . . . A 65 SER HB2 . 30956 1 756 . 1 . 1 65 65 SER HB3 H 1 4.218 0.020 . 2 . . . . A 65 SER HB3 . 30956 1 757 . 1 . 1 65 65 SER HG H 1 5.926 0.020 . 1 . . . . A 65 SER HG . 30956 1 758 . 1 . 1 65 65 SER C C 13 174.749 0.3 . 1 . . . . A 65 SER C . 30956 1 759 . 1 . 1 65 65 SER CA C 13 58.368 0.3 . 1 . . . . A 65 SER CA . 30956 1 760 . 1 . 1 65 65 SER CB C 13 64.212 0.3 . 1 . . . . A 65 SER CB . 30956 1 761 . 1 . 1 65 65 SER N N 15 116.668 0.3 . 1 . . . . A 65 SER N . 30956 1 762 . 1 . 1 66 66 TRP H H 1 7.741 0.020 . 1 . . . . A 66 TRP H . 30956 1 763 . 1 . 1 66 66 TRP HA H 1 4.126 0.020 . 1 . . . . A 66 TRP HA . 30956 1 764 . 1 . 1 66 66 TRP HB2 H 1 3.067 0.020 . 2 . . . . A 66 TRP HB2 . 30956 1 765 . 1 . 1 66 66 TRP HB3 H 1 3.141 0.020 . 2 . . . . A 66 TRP HB3 . 30956 1 766 . 1 . 1 66 66 TRP HD1 H 1 7.199 0.020 . 1 . . . . A 66 TRP HD1 . 30956 1 767 . 1 . 1 66 66 TRP HE1 H 1 10.049 0.020 . 1 . . . . A 66 TRP HE1 . 30956 1 768 . 1 . 1 66 66 TRP HE3 H 1 7.221 0.020 . 1 . . . . A 66 TRP HE3 . 30956 1 769 . 1 . 1 66 66 TRP HZ2 H 1 7.296 0.020 . 1 . . . . A 66 TRP HZ2 . 30956 1 770 . 1 . 1 66 66 TRP HZ3 H 1 6.956 0.020 . 1 . . . . A 66 TRP HZ3 . 30956 1 771 . 1 . 1 66 66 TRP HH2 H 1 7.428 0.020 . 1 . . . . A 66 TRP HH2 . 30956 1 772 . 1 . 1 66 66 TRP C C 13 175.049 0.3 . 1 . . . . A 66 TRP C . 30956 1 773 . 1 . 1 66 66 TRP CA C 13 59.719 0.3 . 1 . . . . A 66 TRP CA . 30956 1 774 . 1 . 1 66 66 TRP CB C 13 30.663 0.3 . 1 . . . . A 66 TRP CB . 30956 1 775 . 1 . 1 66 66 TRP CD1 C 13 127.254 0.3 . 1 . . . . A 66 TRP CD1 . 30956 1 776 . 1 . 1 66 66 TRP CE3 C 13 120.869 0.3 . 1 . . . . A 66 TRP CE3 . 30956 1 777 . 1 . 1 66 66 TRP CZ2 C 13 115.726 0.3 . 1 . . . . A 66 TRP CZ2 . 30956 1 778 . 1 . 1 66 66 TRP CZ3 C 13 122.388 0.3 . 1 . . . . A 66 TRP CZ3 . 30956 1 779 . 1 . 1 66 66 TRP CH2 C 13 123.935 0.3 . 1 . . . . A 66 TRP CH2 . 30956 1 780 . 1 . 1 66 66 TRP N N 15 125.761 0.3 . 1 . . . . A 66 TRP N . 30956 1 781 . 1 . 1 66 66 TRP NE1 N 15 128.287 0.3 . 1 . . . . A 66 TRP NE1 . 30956 1 782 . 1 . 1 67 67 ALA H H 1 8.563 0.020 . 1 . . . . A 67 ALA H . 30956 1 783 . 1 . 1 67 67 ALA HA H 1 3.539 0.020 . 1 . . . . A 67 ALA HA . 30956 1 784 . 1 . 1 67 67 ALA HB1 H 1 1.377 0.020 . 1 . . . . A 67 ALA HB1 . 30956 1 785 . 1 . 1 67 67 ALA HB2 H 1 1.377 0.020 . 1 . . . . A 67 ALA HB2 . 30956 1 786 . 1 . 1 67 67 ALA HB3 H 1 1.377 0.020 . 1 . . . . A 67 ALA HB3 . 30956 1 787 . 1 . 1 67 67 ALA C C 13 179.299 0.3 . 1 . . . . A 67 ALA C . 30956 1 788 . 1 . 1 67 67 ALA CA C 13 55.255 0.3 . 1 . . . . A 67 ALA CA . 30956 1 789 . 1 . 1 67 67 ALA CB C 13 17.975 0.3 . 1 . . . . A 67 ALA CB . 30956 1 790 . 1 . 1 67 67 ALA N N 15 116.793 0.3 . 1 . . . . A 67 ALA N . 30956 1 791 . 1 . 1 68 68 THR H H 1 7.367 0.020 . 1 . . . . A 68 THR H . 30956 1 792 . 1 . 1 68 68 THR HA H 1 4.156 0.020 . 1 . . . . A 68 THR HA . 30956 1 793 . 1 . 1 68 68 THR HB H 1 4.182 0.020 . 1 . . . . A 68 THR HB . 30956 1 794 . 1 . 1 68 68 THR HG1 H 1 4.841 0.020 . 1 . . . . A 68 THR HG1 . 30956 1 795 . 1 . 1 68 68 THR HG21 H 1 1.215 0.020 . 1 . . . . A 68 THR HG21 . 30956 1 796 . 1 . 1 68 68 THR HG22 H 1 1.215 0.020 . 1 . . . . A 68 THR HG22 . 30956 1 797 . 1 . 1 68 68 THR HG23 H 1 1.215 0.020 . 1 . . . . A 68 THR HG23 . 30956 1 798 . 1 . 1 68 68 THR C C 13 176.731 0.3 . 1 . . . . A 68 THR C . 30956 1 799 . 1 . 1 68 68 THR CA C 13 63.579 0.3 . 1 . . . . A 68 THR CA . 30956 1 800 . 1 . 1 68 68 THR CB C 13 68.903 0.3 . 1 . . . . A 68 THR CB . 30956 1 801 . 1 . 1 68 68 THR CG2 C 13 21.927 0.3 . 1 . . . . A 68 THR CG2 . 30956 1 802 . 1 . 1 68 68 THR N N 15 107.206 0.3 . 1 . . . . A 68 THR N . 30956 1 803 . 1 . 1 69 69 HIS H H 1 8.866 0.020 . 1 . . . . A 69 HIS H . 30956 1 804 . 1 . 1 69 69 HIS HA H 1 3.926 0.020 . 1 . . . . A 69 HIS HA . 30956 1 805 . 1 . 1 69 69 HIS HB2 H 1 2.769 0.020 . 2 . . . . A 69 HIS HB2 . 30956 1 806 . 1 . 1 69 69 HIS HB3 H 1 3.159 0.020 . 2 . . . . A 69 HIS HB3 . 30956 1 807 . 1 . 1 69 69 HIS HD2 H 1 6.752 0.020 . 1 . . . . A 69 HIS HD2 . 30956 1 808 . 1 . 1 69 69 HIS HE1 H 1 8.399 0.020 . 1 . . . . A 69 HIS HE1 . 30956 1 809 . 1 . 1 69 69 HIS C C 13 176.333 0.3 . 1 . . . . A 69 HIS C . 30956 1 810 . 1 . 1 69 69 HIS CA C 13 60.390 0.3 . 1 . . . . A 69 HIS CA . 30956 1 811 . 1 . 1 69 69 HIS CB C 13 28.915 0.3 . 1 . . . . A 69 HIS CB . 30956 1 812 . 1 . 1 69 69 HIS CD2 C 13 127.127 0.3 . 1 . . . . A 69 HIS CD2 . 30956 1 813 . 1 . 1 69 69 HIS CE1 C 13 139.866 0.3 . 1 . . . . A 69 HIS CE1 . 30956 1 814 . 1 . 1 69 69 HIS N N 15 124.699 0.3 . 1 . . . . A 69 HIS N . 30956 1 815 . 1 . 1 69 69 HIS ND1 N 15 172.285 0.3 . 1 . . . . A 69 HIS ND1 . 30956 1 816 . 1 . 1 69 69 HIS NE2 N 15 217.908 0.3 . 1 . . . . A 69 HIS NE2 . 30956 1 817 . 1 . 1 70 70 LYS H H 1 8.157 0.020 . 1 . . . . A 70 LYS H . 30956 1 818 . 1 . 1 70 70 LYS HA H 1 2.381 0.020 . 1 . . . . A 70 LYS HA . 30956 1 819 . 1 . 1 70 70 LYS HB2 H 1 -0.521 0.020 . 2 . . . . A 70 LYS HB2 . 30956 1 820 . 1 . 1 70 70 LYS HB3 H 1 0.971 0.020 . 2 . . . . A 70 LYS HB3 . 30956 1 821 . 1 . 1 70 70 LYS HG2 H 1 0.454 0.020 . 2 . . . . A 70 LYS HG2 . 30956 1 822 . 1 . 1 70 70 LYS HG3 H 1 0.964 0.020 . 2 . . . . A 70 LYS HG3 . 30956 1 823 . 1 . 1 70 70 LYS HD2 H 1 0.966 0.020 . 1 . . . . A 70 LYS HD2 . 30956 1 824 . 1 . 1 70 70 LYS HD3 H 1 0.966 0.020 . 1 . . . . A 70 LYS HD3 . 30956 1 825 . 1 . 1 70 70 LYS HE2 H 1 2.763 0.020 . 1 . . . . A 70 LYS HE2 . 30956 1 826 . 1 . 1 70 70 LYS HE3 H 1 2.763 0.020 . 1 . . . . A 70 LYS HE3 . 30956 1 827 . 1 . 1 70 70 LYS C C 13 177.429 0.3 . 1 . . . . A 70 LYS C . 30956 1 828 . 1 . 1 70 70 LYS CA C 13 58.005 0.3 . 1 . . . . A 70 LYS CA . 30956 1 829 . 1 . 1 70 70 LYS CB C 13 29.303 0.3 . 1 . . . . A 70 LYS CB . 30956 1 830 . 1 . 1 70 70 LYS CG C 13 23.095 0.3 . 1 . . . . A 70 LYS CG . 30956 1 831 . 1 . 1 70 70 LYS CD C 13 29.119 0.3 . 1 . . . . A 70 LYS CD . 30956 1 832 . 1 . 1 70 70 LYS CE C 13 41.657 0.3 . 1 . . . . A 70 LYS CE . 30956 1 833 . 1 . 1 70 70 LYS N N 15 112.863 0.3 . 1 . . . . A 70 LYS N . 30956 1 834 . 1 . 1 71 71 LEU H H 1 6.770 0.020 . 1 . . . . A 71 LEU H . 30956 1 835 . 1 . 1 71 71 LEU HA H 1 3.747 0.020 . 1 . . . . A 71 LEU HA . 30956 1 836 . 1 . 1 71 71 LEU HB2 H 1 1.387 0.020 . 2 . . . . A 71 LEU HB2 . 30956 1 837 . 1 . 1 71 71 LEU HB3 H 1 1.669 0.020 . 2 . . . . A 71 LEU HB3 . 30956 1 838 . 1 . 1 71 71 LEU HG H 1 1.614 0.020 . 1 . . . . A 71 LEU HG . 30956 1 839 . 1 . 1 71 71 LEU HD11 H 1 0.898 0.020 . 2 . . . . A 71 LEU HD11 . 30956 1 840 . 1 . 1 71 71 LEU HD12 H 1 0.898 0.020 . 2 . . . . A 71 LEU HD12 . 30956 1 841 . 1 . 1 71 71 LEU HD13 H 1 0.898 0.020 . 2 . . . . A 71 LEU HD13 . 30956 1 842 . 1 . 1 71 71 LEU HD21 H 1 0.717 0.020 . 2 . . . . A 71 LEU HD21 . 30956 1 843 . 1 . 1 71 71 LEU HD22 H 1 0.717 0.020 . 2 . . . . A 71 LEU HD22 . 30956 1 844 . 1 . 1 71 71 LEU HD23 H 1 0.717 0.020 . 2 . . . . A 71 LEU HD23 . 30956 1 845 . 1 . 1 71 71 LEU C C 13 179.625 0.3 . 1 . . . . A 71 LEU C . 30956 1 846 . 1 . 1 71 71 LEU CA C 13 56.701 0.3 . 1 . . . . A 71 LEU CA . 30956 1 847 . 1 . 1 71 71 LEU CB C 13 40.363 0.3 . 1 . . . . A 71 LEU CB . 30956 1 848 . 1 . 1 71 71 LEU CG C 13 26.688 0.3 . 1 . . . . A 71 LEU CG . 30956 1 849 . 1 . 1 71 71 LEU CD1 C 13 24.975 0.3 . 1 . . . . A 71 LEU CD1 . 30956 1 850 . 1 . 1 71 71 LEU CD2 C 13 21.938 0.3 . 1 . . . . A 71 LEU CD2 . 30956 1 851 . 1 . 1 71 71 LEU N N 15 120.402 0.3 . 1 . . . . A 71 LEU N . 30956 1 852 . 1 . 1 72 72 LEU H H 1 7.722 0.020 . 1 . . . . A 72 LEU H . 30956 1 853 . 1 . 1 72 72 LEU HA H 1 3.917 0.020 . 1 . . . . A 72 LEU HA . 30956 1 854 . 1 . 1 72 72 LEU HB2 H 1 1.298 0.020 . 2 . . . . A 72 LEU HB2 . 30956 1 855 . 1 . 1 72 72 LEU HB3 H 1 1.361 0.020 . 2 . . . . A 72 LEU HB3 . 30956 1 856 . 1 . 1 72 72 LEU HG H 1 1.598 0.020 . 1 . . . . A 72 LEU HG . 30956 1 857 . 1 . 1 72 72 LEU HD11 H 1 0.792 0.020 . 2 . . . . A 72 LEU HD11 . 30956 1 858 . 1 . 1 72 72 LEU HD12 H 1 0.792 0.020 . 2 . . . . A 72 LEU HD12 . 30956 1 859 . 1 . 1 72 72 LEU HD13 H 1 0.792 0.020 . 2 . . . . A 72 LEU HD13 . 30956 1 860 . 1 . 1 72 72 LEU HD21 H 1 0.791 0.020 . 2 . . . . A 72 LEU HD21 . 30956 1 861 . 1 . 1 72 72 LEU HD22 H 1 0.791 0.020 . 2 . . . . A 72 LEU HD22 . 30956 1 862 . 1 . 1 72 72 LEU HD23 H 1 0.791 0.020 . 2 . . . . A 72 LEU HD23 . 30956 1 863 . 1 . 1 72 72 LEU C C 13 178.893 0.3 . 1 . . . . A 72 LEU C . 30956 1 864 . 1 . 1 72 72 LEU CA C 13 56.835 0.3 . 1 . . . . A 72 LEU CA . 30956 1 865 . 1 . 1 72 72 LEU CB C 13 41.465 0.3 . 1 . . . . A 72 LEU CB . 30956 1 866 . 1 . 1 72 72 LEU CG C 13 27.047 0.3 . 1 . . . . A 72 LEU CG . 30956 1 867 . 1 . 1 72 72 LEU CD1 C 13 25.029 0.3 . 1 . . . . A 72 LEU CD1 . 30956 1 868 . 1 . 1 72 72 LEU CD2 C 13 23.218 0.3 . 1 . . . . A 72 LEU CD2 . 30956 1 869 . 1 . 1 72 72 LEU N N 15 118.750 0.3 . 1 . . . . A 72 LEU N . 30956 1 870 . 1 . 1 73 73 HIS H H 1 6.895 0.020 . 1 . . . . A 73 HIS H . 30956 1 871 . 1 . 1 73 73 HIS HA H 1 4.261 0.020 . 1 . . . . A 73 HIS HA . 30956 1 872 . 1 . 1 73 73 HIS HB2 H 1 3.373 0.020 . 2 . . . . A 73 HIS HB2 . 30956 1 873 . 1 . 1 73 73 HIS HB3 H 1 3.121 0.020 . 2 . . . . A 73 HIS HB3 . 30956 1 874 . 1 . 1 73 73 HIS HD2 H 1 6.576 0.020 . 1 . . . . A 73 HIS HD2 . 30956 1 875 . 1 . 1 73 73 HIS HE1 H 1 8.183 0.020 . 1 . . . . A 73 HIS HE1 . 30956 1 876 . 1 . 1 73 73 HIS C C 13 175.421 0.3 . 1 . . . . A 73 HIS C . 30956 1 877 . 1 . 1 73 73 HIS CA C 13 54.622 0.3 . 1 . . . . A 73 HIS CA . 30956 1 878 . 1 . 1 73 73 HIS CB C 13 28.232 0.3 . 1 . . . . A 73 HIS CB . 30956 1 879 . 1 . 1 73 73 HIS CD2 C 13 124.531 0.3 . 1 . . . . A 73 HIS CD2 . 30956 1 880 . 1 . 1 73 73 HIS CE1 C 13 137.735 0.3 . 1 . . . . A 73 HIS CE1 . 30956 1 881 . 1 . 1 73 73 HIS N N 15 115.123 0.3 . 1 . . . . A 73 HIS N . 30956 1 882 . 1 . 1 73 73 HIS ND1 N 15 176.329 0.3 . 1 . . . . A 73 HIS ND1 . 30956 1 883 . 1 . 1 73 73 HIS NE2 N 15 218.448 0.3 . 1 . . . . A 73 HIS NE2 . 30956 1 884 . 1 . 1 74 74 LYS H H 1 7.160 0.020 . 1 . . . . A 74 LYS H . 30956 1 885 . 1 . 1 74 74 LYS HA H 1 3.961 0.020 . 1 . . . . A 74 LYS HA . 30956 1 886 . 1 . 1 74 74 LYS HB2 H 1 1.392 0.020 . 2 . . . . A 74 LYS HB2 . 30956 1 887 . 1 . 1 74 74 LYS HB3 H 1 1.703 0.020 . 2 . . . . A 74 LYS HB3 . 30956 1 888 . 1 . 1 74 74 LYS HG2 H 1 1.267 0.020 . 1 . . . . A 74 LYS HG2 . 30956 1 889 . 1 . 1 74 74 LYS HG3 H 1 1.267 0.020 . 1 . . . . A 74 LYS HG3 . 30956 1 890 . 1 . 1 74 74 LYS HD2 H 1 1.522 0.020 . 1 . . . . A 74 LYS HD2 . 30956 1 891 . 1 . 1 74 74 LYS HD3 H 1 1.522 0.020 . 1 . . . . A 74 LYS HD3 . 30956 1 892 . 1 . 1 74 74 LYS HE2 H 1 2.897 0.020 . 1 . . . . A 74 LYS HE2 . 30956 1 893 . 1 . 1 74 74 LYS HE3 H 1 2.897 0.020 . 1 . . . . A 74 LYS HE3 . 30956 1 894 . 1 . 1 74 74 LYS C C 13 176.698 0.3 . 1 . . . . A 74 LYS C . 30956 1 895 . 1 . 1 74 74 LYS CA C 13 57.433 0.3 . 1 . . . . A 74 LYS CA . 30956 1 896 . 1 . 1 74 74 LYS CB C 13 32.774 0.3 . 1 . . . . A 74 LYS CB . 30956 1 897 . 1 . 1 74 74 LYS CG C 13 24.624 0.3 . 1 . . . . A 74 LYS CG . 30956 1 898 . 1 . 1 74 74 LYS CD C 13 29.051 0.3 . 1 . . . . A 74 LYS CD . 30956 1 899 . 1 . 1 74 74 LYS CE C 13 41.926 0.3 . 1 . . . . A 74 LYS CE . 30956 1 900 . 1 . 1 74 74 LYS N N 15 118.771 0.3 . 1 . . . . A 74 LYS N . 30956 1 901 . 1 . 1 75 75 LYS H H 1 7.836 0.020 . 1 . . . . A 75 LYS H . 30956 1 902 . 1 . 1 75 75 LYS HA H 1 4.100 0.020 . 1 . . . . A 75 LYS HA . 30956 1 903 . 1 . 1 75 75 LYS HB2 H 1 1.792 0.020 . 1 . . . . A 75 LYS HB2 . 30956 1 904 . 1 . 1 75 75 LYS HB3 H 1 1.792 0.020 . 1 . . . . A 75 LYS HB3 . 30956 1 905 . 1 . 1 75 75 LYS HG2 H 1 1.385 0.020 . 1 . . . . A 75 LYS HG2 . 30956 1 906 . 1 . 1 75 75 LYS HG3 H 1 1.385 0.020 . 1 . . . . A 75 LYS HG3 . 30956 1 907 . 1 . 1 75 75 LYS HD2 H 1 1.644 0.020 . 1 . . . . A 75 LYS HD2 . 30956 1 908 . 1 . 1 75 75 LYS HD3 H 1 1.644 0.020 . 1 . . . . A 75 LYS HD3 . 30956 1 909 . 1 . 1 75 75 LYS HE2 H 1 2.963 0.020 . 1 . . . . A 75 LYS HE2 . 30956 1 910 . 1 . 1 75 75 LYS HE3 H 1 2.963 0.020 . 1 . . . . A 75 LYS HE3 . 30956 1 911 . 1 . 1 75 75 LYS C C 13 177.059 0.3 . 1 . . . . A 75 LYS C . 30956 1 912 . 1 . 1 75 75 LYS CA C 13 57.596 0.3 . 1 . . . . A 75 LYS CA . 30956 1 913 . 1 . 1 75 75 LYS CB C 13 32.627 0.3 . 1 . . . . A 75 LYS CB . 30956 1 914 . 1 . 1 75 75 LYS CG C 13 24.626 0.3 . 1 . . . . A 75 LYS CG . 30956 1 915 . 1 . 1 75 75 LYS CD C 13 29.108 0.3 . 1 . . . . A 75 LYS CD . 30956 1 916 . 1 . 1 75 75 LYS CE C 13 41.926 0.3 . 1 . . . . A 75 LYS CE . 30956 1 917 . 1 . 1 75 75 LYS N N 15 120.097 0.3 . 1 . . . . A 75 LYS N . 30956 1 918 . 1 . 1 76 76 ALA H H 1 7.903 0.020 . 1 . . . . A 76 ALA H . 30956 1 919 . 1 . 1 76 76 ALA HA H 1 4.227 0.020 . 1 . . . . A 76 ALA HA . 30956 1 920 . 1 . 1 76 76 ALA HB1 H 1 1.451 0.020 . 1 . . . . A 76 ALA HB1 . 30956 1 921 . 1 . 1 76 76 ALA HB2 H 1 1.451 0.020 . 1 . . . . A 76 ALA HB2 . 30956 1 922 . 1 . 1 76 76 ALA HB3 H 1 1.451 0.020 . 1 . . . . A 76 ALA HB3 . 30956 1 923 . 1 . 1 76 76 ALA C C 13 178.469 0.3 . 1 . . . . A 76 ALA C . 30956 1 924 . 1 . 1 76 76 ALA CA C 13 53.025 0.3 . 1 . . . . A 76 ALA CA . 30956 1 925 . 1 . 1 76 76 ALA CB C 13 19.417 0.3 . 1 . . . . A 76 ALA CB . 30956 1 926 . 1 . 1 76 76 ALA N N 15 122.811 0.3 . 1 . . . . A 76 ALA N . 30956 1 927 . 1 . 1 77 77 LYS H H 1 8.044 0.020 . 1 . . . . A 77 LYS H . 30956 1 928 . 1 . 1 77 77 LYS HA H 1 4.176 0.020 . 1 . . . . A 77 LYS HA . 30956 1 929 . 1 . 1 77 77 LYS HB2 H 1 1.810 0.020 . 2 . . . . A 77 LYS HB2 . 30956 1 930 . 1 . 1 77 77 LYS HB3 H 1 1.856 0.020 . 2 . . . . A 77 LYS HB3 . 30956 1 931 . 1 . 1 77 77 LYS HG2 H 1 1.414 0.020 . 2 . . . . A 77 LYS HG2 . 30956 1 932 . 1 . 1 77 77 LYS HG3 H 1 1.483 0.020 . 2 . . . . A 77 LYS HG3 . 30956 1 933 . 1 . 1 77 77 LYS HD2 H 1 1.652 0.020 . 1 . . . . A 77 LYS HD2 . 30956 1 934 . 1 . 1 77 77 LYS HD3 H 1 1.652 0.020 . 1 . . . . A 77 LYS HD3 . 30956 1 935 . 1 . 1 77 77 LYS HE2 H 1 2.942 0.020 . 1 . . . . A 77 LYS HE2 . 30956 1 936 . 1 . 1 77 77 LYS HE3 H 1 2.942 0.020 . 1 . . . . A 77 LYS HE3 . 30956 1 937 . 1 . 1 77 77 LYS C C 13 176.816 0.3 . 1 . . . . A 77 LYS C . 30956 1 938 . 1 . 1 77 77 LYS CA C 13 57.096 0.3 . 1 . . . . A 77 LYS CA . 30956 1 939 . 1 . 1 77 77 LYS CB C 13 32.772 0.3 . 1 . . . . A 77 LYS CB . 30956 1 940 . 1 . 1 77 77 LYS CG C 13 24.895 0.3 . 1 . . . . A 77 LYS CG . 30956 1 941 . 1 . 1 77 77 LYS CD C 13 29.019 0.3 . 1 . . . . A 77 LYS CD . 30956 1 942 . 1 . 1 77 77 LYS CE C 13 41.862 0.3 . 1 . . . . A 77 LYS CE . 30956 1 943 . 1 . 1 77 77 LYS N N 15 118.995 0.3 . 1 . . . . A 77 LYS N . 30956 1 944 . 1 . 1 78 78 ASP H H 1 8.194 0.020 . 1 . . . . A 78 ASP H . 30956 1 945 . 1 . 1 78 78 ASP HA H 1 4.549 0.020 . 1 . . . . A 78 ASP HA . 30956 1 946 . 1 . 1 78 78 ASP HB2 H 1 2.615 0.020 . 2 . . . . A 78 ASP HB2 . 30956 1 947 . 1 . 1 78 78 ASP HB3 H 1 2.679 0.020 . 2 . . . . A 78 ASP HB3 . 30956 1 948 . 1 . 1 78 78 ASP C C 13 176.255 0.3 . 1 . . . . A 78 ASP C . 30956 1 949 . 1 . 1 78 78 ASP CA C 13 54.749 0.3 . 1 . . . . A 78 ASP CA . 30956 1 950 . 1 . 1 78 78 ASP CB C 13 41.106 0.3 . 1 . . . . A 78 ASP CB . 30956 1 951 . 1 . 1 78 78 ASP N N 15 120.519 0.3 . 1 . . . . A 78 ASP N . 30956 1 952 . 1 . 1 79 79 GLU H H 1 8.040 0.020 . 1 . . . . A 79 GLU H . 30956 1 953 . 1 . 1 79 79 GLU HA H 1 4.283 0.020 . 1 . . . . A 79 GLU HA . 30956 1 954 . 1 . 1 79 79 GLU HB2 H 1 1.935 0.020 . 2 . . . . A 79 GLU HB2 . 30956 1 955 . 1 . 1 79 79 GLU HB3 H 1 2.057 0.020 . 2 . . . . A 79 GLU HB3 . 30956 1 956 . 1 . 1 79 79 GLU HG2 H 1 2.265 0.020 . 1 . . . . A 79 GLU HG2 . 30956 1 957 . 1 . 1 79 79 GLU HG3 H 1 2.265 0.020 . 1 . . . . A 79 GLU HG3 . 30956 1 958 . 1 . 1 79 79 GLU C C 13 175.495 0.3 . 1 . . . . A 79 GLU C . 30956 1 959 . 1 . 1 79 79 GLU CA C 13 56.517 0.3 . 1 . . . . A 79 GLU CA . 30956 1 960 . 1 . 1 79 79 GLU CB C 13 30.314 0.3 . 1 . . . . A 79 GLU CB . 30956 1 961 . 1 . 1 79 79 GLU CG C 13 36.190 0.3 . 1 . . . . A 79 GLU CG . 30956 1 962 . 1 . 1 79 79 GLU N N 15 120.789 0.3 . 1 . . . . A 79 GLU N . 30956 1 963 . 1 . 1 80 80 LYS H H 1 7.862 0.020 . 1 . . . . A 80 LYS H . 30956 1 964 . 1 . 1 80 80 LYS HA H 1 4.117 0.020 . 1 . . . . A 80 LYS HA . 30956 1 965 . 1 . 1 80 80 LYS HB2 H 1 1.718 0.020 . 2 . . . . A 80 LYS HB2 . 30956 1 966 . 1 . 1 80 80 LYS HB3 H 1 1.804 0.020 . 2 . . . . A 80 LYS HB3 . 30956 1 967 . 1 . 1 80 80 LYS HG2 H 1 1.447 0.020 . 2 . . . . A 80 LYS HG2 . 30956 1 968 . 1 . 1 80 80 LYS HG3 H 1 1.383 0.020 . 2 . . . . A 80 LYS HG3 . 30956 1 969 . 1 . 1 80 80 LYS HD2 H 1 1.640 0.020 . 1 . . . . A 80 LYS HD2 . 30956 1 970 . 1 . 1 80 80 LYS HD3 H 1 1.640 0.020 . 1 . . . . A 80 LYS HD3 . 30956 1 971 . 1 . 1 80 80 LYS HE2 H 1 2.941 0.020 . 1 . . . . A 80 LYS HE2 . 30956 1 972 . 1 . 1 80 80 LYS HE3 H 1 2.941 0.020 . 1 . . . . A 80 LYS HE3 . 30956 1 973 . 1 . 1 80 80 LYS C C 13 181.417 0.3 . 1 . . . . A 80 LYS C . 30956 1 974 . 1 . 1 80 80 LYS CA C 13 57.548 0.3 . 1 . . . . A 80 LYS CA . 30956 1 975 . 1 . 1 80 80 LYS CB C 13 33.502 0.3 . 1 . . . . A 80 LYS CB . 30956 1 976 . 1 . 1 80 80 LYS CG C 13 24.651 0.3 . 1 . . . . A 80 LYS CG . 30956 1 977 . 1 . 1 80 80 LYS CD C 13 28.957 0.3 . 1 . . . . A 80 LYS CD . 30956 1 978 . 1 . 1 80 80 LYS CE C 13 41.914 0.3 . 1 . . . . A 80 LYS CE . 30956 1 979 . 1 . 1 80 80 LYS N N 15 127.294 0.3 . 1 . . . . A 80 LYS N . 30956 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30956 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 H1 #INAME 2 N15 #INAME 3 H1 #SPECTRUM N15NOESY HN N H 1 8.155 117.949 4.188 0 U 1.093e+07 0.00e+00 a 0 491 492 945 0 # HA E11 2 8.155 117.949 4.516 0 U 4.042e+07 0.00e+00 a 0 491 492 944 0 # HA P10 3 8.155 117.949 2.234 0 U 1.714e+07 0.00e+00 a 0 491 492 1056 0 # HG E11 4 8.155 117.949 8.874 0 U 2.710e+06 0.00e+00 a 0 491 492 107 0 # H L12 5 8.155 117.949 1.887 0 U 4.547e+07 0.00e+00 a 0 491 492 1013 0 # HB E11 6 8.155 117.949 7.761 0 U 1.888e+06 0.00e+00 a 0 491 492 1449 0 # HE21 Q59 7 7.829 120.097 7.156 0 U 1.076e+07 0.00e+00 a 0 184 185 55 0 # H K74 8 7.829 120.097 4.159 0 U 1.353e+07 0.00e+00 a 0 184 185 1003 0 # HA K75 9 7.829 120.097 3.990 0 U 1.505e+07 0.00e+00 a 0 184 185 1002 0 # HA K74 10 7.829 120.097 1.451 0 U 1.155e+07 0.00e+00 a 0 184 185 1048 0 # HB A76 11 7.829 120.097 1.305 0 U 4.039e+06 0.00e+00 a 0 184 185 1425 0 # HG K74 12 8.866 124.699 4.841 0 U 1.063e+06 0.00e+00 a 0 23 24 1516 0 # HG1 T68 13 8.866 124.699 7.360 0 U 3.781e+07 0.00e+00 a 0 23 24 103 0 # H T68 14 8.866 124.699 1.417 0 U 3.537e+06 0.00e+00 a 0 23 24 1044 0 # HB A67 15 8.866 124.699 3.953 0 U 1.468e+07 0.00e+00 a 0 23 24 997 0 # HA H69 16 8.866 124.699 8.157 0 U 1.281e+07 0.00e+00 a 0 23 24 91 0 # H K70 17 8.866 124.699 1.005 0 U 2.006e+06 0.00e+00 a 0 23 24 1141 0 # HB3 K70 18 8.866 124.699 6.752 0 U 2.632e+06 0.00e+00 a 0 23 24 1306 0 # HD2 H69 19 8.866 124.699 4.156 0 U 2.312e+07 0.00e+00 a 0 23 24 996 0 # HA T68 20 8.866 124.699 3.192 0 U 2.341e+07 0.00e+00 a 0 23 24 1140 0 # HB3 H69 21 8.866 124.699 1.262 0 U 8.132e+06 0.00e+00 a 0 23 24 1161 0 # HG2 T68 22 8.866 124.699 2.783 0 U 2.028e+07 0.00e+00 a 0 23 24 1118 0 # HB2 H69 23 8.866 124.699 3.555 0 U 1.203e+06 0.00e+00 a 0 23 24 995 0 # HA A67 24 8.866 124.699 8.563 0 U 2.431e+06 0.00e+00 a 0 23 24 77 0 # H A67 25 8.866 124.699 4.209 0 U 2.812e+07 0.00e+00 a 0 23 24 1045 0 # HB T68 26 8.164 122.384 4.275 0 U 1.310e+06 0.00e+00 a 0 39 40 982 0 # HA Q52 27 8.164 122.384 3.151 0 U 2.851e+06 0.00e+00 a 0 39 40 1364 0 # HB3 C46 28 8.164 122.384 0.931 0 U 3.582e+06 0.00e+00 a 0 39 40 1158 0 # HG2 I51 29 8.164 122.384 0.794 0 U 2.146e+06 0.00e+00 a 0 39 40 1276 0 # HD2 L49 30 8.164 122.384 4.030 0 U 6.386e+06 0.00e+00 a 0 39 40 981 0 # HA I51 31 8.164 122.384 7.862 0 U 9.306e+06 0.00e+00 a 0 39 40 75 0 # H L49 32 8.164 122.384 7.849 0 U 9.306e+06 0.00e+00 a 0 39 40 101 0 # H G50 33 8.164 122.384 1.000 0 U 1.512e+07 0.00e+00 a 0 39 40 1167 0 # HD1 I51 34 8.164 122.384 4.275 0 U 1.310e+06 0.00e+00 a 0 39 40 980 0 # HA L49 35 8.164 122.384 8.636 0 U 2.324e+06 0.00e+00 a 0 39 40 9 0 # H Q52 36 8.164 122.384 3.804 0 U 7.486e+06 0.00e+00 a 0 39 40 1091 0 # HA2 G50 37 8.164 122.384 7.305 0 U 5.502e+05 0.00e+00 a 0 39 40 51 0 # H K48 38 8.164 122.384 1.520 0 U 1.357e+07 0.00e+00 a 0 39 40 1165 0 # HG1 I51 39 8.164 122.384 1.819 0 U 1.866e+07 0.00e+00 a 0 39 40 1036 0 # HB I51 40 8.164 122.384 4.058 0 U 8.281e+06 0.00e+00 a 0 39 40 1095 0 # HA3 G50 41 7.156 118.771 7.829 0 U 1.197e+07 0.00e+00 a 0 55 56 184 0 # H K75 42 7.156 118.771 6.598 0 U 1.585e+06 0.00e+00 a 0 55 56 1308 0 # HD2 H73 43 7.156 118.771 3.121 0 U 7.397e+06 0.00e+00 a 0 55 56 1121 0 # HB2 H73 44 7.156 118.771 1.005 0 U 3.198e+06 0.00e+00 a 0 55 56 1141 0 # HB3 K70 45 7.156 118.771 3.990 0 U 1.979e+07 0.00e+00 a 0 55 56 1002 0 # HA K74 46 7.156 118.771 4.301 0 U 8.977e+06 0.00e+00 a 0 55 56 1001 0 # HA H73 47 7.156 118.771 1.305 0 U 1.434e+07 0.00e+00 a 0 55 56 1425 0 # HG K74 48 7.156 118.771 1.723 0 U 2.505e+07 0.00e+00 a 0 55 56 1144 0 # HB3 K74 49 7.156 118.771 7.722 0 U 3.278e+06 0.00e+00 a 0 55 56 67 0 # H L72 50 7.156 118.771 6.887 0 U 2.479e+07 0.00e+00 a 0 55 56 83 0 # H H73 51 7.156 118.771 1.522 0 U 1.045e+07 0.00e+00 a 0 55 56 1080 0 # HD K74 52 7.156 118.771 1.422 0 U 3.008e+07 0.00e+00 a 0 55 56 1122 0 # HB2 K74 53 7.156 118.771 3.794 0 U 6.249e+06 0.00e+00 a 0 55 56 999 0 # HA L71 54 7.156 118.771 3.373 0 U 1.183e+07 0.00e+00 a 0 55 56 1143 0 # HB3 H73 55 7.156 118.771 0.750 0 U 5.011e+06 0.00e+00 a 0 55 56 1175 0 # HD2 L71 56 7.083 116.526 0.955 0 U 1.274e+07 0.00e+00 a 0 71 72 1164 0 # HG12 I47 57 7.083 116.526 3.905 0 U 5.727e+06 0.00e+00 a 0 71 72 977 0 # HA C46 58 7.083 116.526 3.151 0 U 5.343e+06 0.00e+00 a 0 71 72 1364 0 # HB3 C46 59 7.083 116.526 0.850 0 U 8.245e+06 0.00e+00 a 0 71 72 1200 0 # HG2 I47 60 7.083 116.526 1.723 0 U 2.412e+07 0.00e+00 a 0 71 72 1295 0 # HG13 I47 61 7.083 116.526 7.862 0 U 2.245e+06 0.00e+00 a 0 71 72 75 0 # H L49 62 7.083 116.526 8.193 0 U 2.962e+06 0.00e+00 a 0 71 72 505 0 # H T45 63 7.083 116.526 8.713 0 U 1.074e+07 0.00e+00 a 0 71 72 5 0 # H C46 64 7.083 116.526 4.417 0 U 4.970e+06 0.00e+00 a 0 71 72 975 0 # HA P44 65 7.083 116.526 1.819 0 U 3.115e+07 0.00e+00 a 0 71 72 1033 0 # HB I47 66 7.083 116.526 0.757 0 U 1.130e+07 0.00e+00 a 0 71 72 1188 0 # HD1 I47 67 7.083 116.526 3.035 0 U 7.082e+06 0.00e+00 a 0 71 72 1123 0 # HB2 C46 68 7.083 116.526 7.305 0 U 1.478e+07 0.00e+00 a 0 71 72 51 0 # H K48 69 7.083 116.526 3.753 0 U 1.244e+07 0.00e+00 a 0 71 72 978 0 # HA I47 70 7.627 121.215 0.736 0 U 1.221e+07 0.00e+00 a 0 87 88 1297 0 # HG12 I15 71 7.627 121.215 2.372 0 U 5.870e+06 0.00e+00 a 0 87 88 1126 0 # HB3 P14 72 7.627 121.215 1.259 0 U 1.699e+07 0.00e+00 a 0 87 88 1163 0 # HG13 I15 73 7.627 121.215 1.464 0 U 2.391e+07 0.00e+00 a 0 87 88 1014 0 # HB I15 74 7.627 121.215 8.509 0 U 2.753e+06 0.00e+00 a 0 87 88 53 0 # H E16 75 7.627 121.215 3.949 0 U 8.864e+06 0.00e+00 a 0 87 88 948 0 # HA I15 76 7.627 121.215 0.697 0 U 1.440e+07 0.00e+00 a 0 87 88 1150 0 # HG2 I15 77 7.627 121.215 0.395 0 U 5.144e+06 0.00e+00 a 0 87 88 1166 0 # HD1 I15 78 7.627 121.215 4.608 0 U 2.593e+07 0.00e+00 a 0 87 88 947 0 # HA P14 79 7.627 121.215 1.817 0 U 5.138e+06 0.00e+00 a 0 87 88 1102 0 # HB2 P14 80 7.627 121.215 5.074 0 U 8.859e+06 0.00e+00 a 0 87 88 973 0 # HA L41 81 7.627 121.215 9.738 0 U 2.059e+06 0.00e+00 a 0 87 88 35 0 # H Q42 82 7.627 121.215 2.082 0 U 2.004e+06 0.00e+00 a 0 87 88 1058 0 # HG3 P14 83 7.360 107.206 4.841 0 U 2.196e+06 0.00e+00 a 0 103 104 1516 0 # HG1 T68 84 7.360 107.206 8.866 0 U 3.168e+07 0.00e+00 a 0 103 104 23 0 # H H69 85 7.360 107.206 1.417 0 U 1.671e+07 0.00e+00 a 0 103 104 1044 0 # HB A67 86 7.360 107.206 3.953 0 U 1.946e+06 0.00e+00 a 0 103 104 997 0 # HA H69 87 7.360 107.206 8.157 0 U 2.683e+06 0.00e+00 a 0 103 104 91 0 # H K70 88 7.360 107.206 1.005 0 U 1.455e+06 0.00e+00 a 0 103 104 1141 0 # HB3 K70 89 7.360 107.206 4.156 0 U 1.944e+07 0.00e+00 a 0 103 104 996 0 # HA T68 90 7.360 107.206 3.192 0 U 3.193e+06 0.00e+00 a 0 103 104 1140 0 # HB3 H69 91 7.360 107.206 1.262 0 U 8.021e+06 0.00e+00 a 0 103 104 1161 0 # HG2 T68 92 7.360 107.206 2.783 0 U 2.793e+06 0.00e+00 a 0 103 104 1118 0 # HB2 H69 93 7.360 107.206 3.555 0 U 4.772e+06 0.00e+00 a 0 103 104 995 0 # HA A67 94 7.360 107.206 7.722 0 U 2.068e+06 0.00e+00 a 0 103 104 67 0 # H L72 95 7.360 107.206 8.563 0 U 1.250e+07 0.00e+00 a 0 103 104 77 0 # H A67 96 7.360 107.206 4.209 0 U 2.809e+07 0.00e+00 a 0 103 104 1045 0 # HB T68 97 8.888 115.588 4.456 0 U 7.869e+06 0.00e+00 a 0 119 120 966 0 # HA D33 98 8.888 115.588 4.263 0 U 2.762e+06 0.00e+00 a 0 119 120 1094 0 # HA3 G34 99 8.888 115.588 7.741 0 U 2.411e+06 0.00e+00 a 0 119 120 27 0 # H C35 100 8.888 115.588 2.724 0 U 1.540e+06 0.00e+00 a 0 119 120 1026 0 # HB D33 101 8.888 115.588 3.628 0 U 2.734e+06 0.00e+00 a 0 119 120 1090 0 # HA2 G34 102 8.670 125.879 4.452 0 U 8.088e+06 0.00e+00 a 0 17 18 961 0 # HA R28 103 8.670 125.879 0.853 0 U 3.094e+06 0.00e+00 a 0 17 18 1030 0 # HB A39 104 8.670 125.879 1.416 0 U 7.653e+06 0.00e+00 a 0 17 18 1105 0 # HB2 R28 105 8.670 125.879 1.102 0 U 1.433e+07 0.00e+00 a 0 17 18 1153 0 # HG2 R28 106 8.670 125.879 1.279 0 U 6.164e+06 0.00e+00 a 0 17 18 1169 0 # HG3 R28 107 8.670 125.879 2.384 0 U 3.141e+06 0.00e+00 a 0 17 18 1073 0 # HD2 R28 108 8.670 125.879 4.162 0 U 4.923e+07 0.00e+00 a 0 17 18 960 0 # HA T27 109 8.670 125.879 0.922 0 U 2.773e+06 0.00e+00 a 0 17 18 1162 0 # HG1 V29 110 8.670 125.879 2.458 0 U 1.605e+06 0.00e+00 a 0 17 18 1288 0 # HD3 R28 111 8.670 125.879 8.341 0 U 3.345e+06 0.00e+00 a 0 17 18 37 0 # H V29 112 8.670 125.879 1.614 0 U 1.406e+07 0.00e+00 a 0 17 18 1128 0 # HB3 R28 113 8.670 125.879 0.822 0 U 2.866e+05 0.00e+00 a 0 17 18 1149 0 # HG2 V29 114 8.537 123.145 0.853 0 U 1.586e+06 0.00e+00 a 0 33 34 1030 0 # HB A39 115 8.537 123.145 3.953 0 U 2.533e+07 0.00e+00 a 0 33 34 1028 0 # HB S37 116 8.537 123.145 3.094 0 U 1.378e+06 0.00e+00 a 0 33 34 1136 0 # HB3 C57 117 8.537 123.145 1.925 0 U 3.016e+07 0.00e+00 a 0 33 34 1363 0 # HB3 E38 118 8.537 123.145 4.206 0 U 1.645e+07 0.00e+00 a 0 33 34 970 0 # HA E38 119 8.537 123.145 1.825 0 U 2.681e+07 0.00e+00 a 0 33 34 1373 0 # HB2 E38 120 8.537 123.145 2.085 0 U 6.580e+06 0.00e+00 a 0 33 34 1156 0 # HG2 E38 121 8.537 123.145 4.387 0 U 4.673e+07 0.00e+00 a 0 33 34 969 0 # HA S37 122 8.537 123.145 2.644 0 U 1.680e+06 0.00e+00 a 0 33 34 1113 0 # HB2 C57 123 8.537 123.145 2.353 0 U 5.006e+06 0.00e+00 a 0 33 34 1171 0 # HG3 E38 124 8.537 123.145 8.872 0 U 3.895e+06 0.00e+00 a 0 33 34 45 0 # H S37 125 7.973 120.966 2.069 0 U 2.120e+06 0.00e+00 a 0 49 50 1132 0 # HB3 K40 126 7.973 120.966 0.853 0 U 5.790e+06 0.00e+00 a 0 49 50 1030 0 # HB A39 127 7.973 120.966 4.003 0 U 5.371e+06 0.00e+00 a 0 49 50 971 0 # HA A39 128 7.973 120.966 8.621 0 U 6.671e+06 0.00e+00 a 0 49 50 81 0 # H F56 129 7.973 120.966 0.355 0 U 4.616e+06 0.00e+00 a 0 49 50 1072 0 # HD1 L12 130 7.973 120.966 1.616 0 U 1.347e+07 0.00e+00 a 0 49 50 1109 0 # HB2 K40 131 7.973 120.966 2.644 0 U 1.193e+06 0.00e+00 a 0 49 50 1113 0 # HB2 C57 132 7.973 120.966 1.328 0 U 4.971e+06 0.00e+00 a 0 49 50 1065 0 # HG L41 133 7.973 120.966 5.332 0 U 1.157e+06 0.00e+00 a 0 49 50 984 0 # HA Y55 134 7.973 120.966 0.755 0 U 5.753e+06 0.00e+00 a 0 49 50 1075 0 # HD1 L41 135 7.973 120.966 5.074 0 U 5.828e+06 0.00e+00 a 0 49 50 973 0 # HA L41 136 7.973 120.966 9.738 0 U 1.411e+06 0.00e+00 a 0 49 50 35 0 # H Q42 137 7.973 120.966 1.576 0 U 1.039e+07 0.00e+00 a 0 49 50 1262 0 # HB3 L41 138 7.973 120.966 1.440 0 U 1.191e+07 0.00e+00 a 0 49 50 1031 0 # HB2 L41 139 7.973 120.966 0.654 0 U 2.803e+06 0.00e+00 a 0 49 50 1281 0 # HD2 L41 140 7.973 120.966 4.516 0 U 6.512e+06 0.00e+00 a 0 49 50 972 0 # HA K40 141 7.676 118.577 2.580 0 U 2.040e+07 0.00e+00 a 0 65 66 1116 0 # HB2 F62 142 7.676 118.577 5.116 0 U 1.296e+06 0.00e+00 a 0 65 66 1514 0 # HG S58 143 7.676 118.577 9.061 0 U 1.155e+06 0.00e+00 a 0 65 66 59 0 # H E60 144 7.676 118.577 0.355 0 U 5.206e+06 0.00e+00 a 0 65 66 1072 0 # HD1 L12 145 7.676 118.577 1.880 0 U 2.705e+06 0.00e+00 a 0 65 66 1042 0 # HB K63 146 7.676 118.577 3.853 0 U 1.672e+07 0.00e+00 a 0 65 66 991 0 # HA F62 147 7.676 118.577 7.316 0 U 3.960e+06 0.00e+00 a 0 65 66 85 0 # H S58 148 7.676 118.577 8.782 0 U 1.531e+07 0.00e+00 a 0 65 66 63 0 # H K63 149 7.676 118.577 4.058 0 U 5.102e+06 0.00e+00 a 0 65 66 990 0 # HA C61 150 7.676 118.577 2.835 0 U 2.723e+07 0.00e+00 a 0 65 66 1139 0 # HB3 F62 151 7.676 118.577 3.192 0 U 1.472e+07 0.00e+00 a 0 65 66 1138 0 # HB3 C61 152 7.676 118.577 7.517 0 U 1.870e+07 0.00e+00 a 0 65 66 29 0 # H C61 153 8.621 116.797 0.853 0 U 9.053e+06 0.00e+00 a 0 81 82 1030 0 # HB A39 154 8.621 116.797 -0.605 0 U 1.017e+06 0.00e+00 a 0 81 82 1057 0 # HD2 L12 155 8.621 116.797 7.973 0 U 6.292e+06 0.00e+00 a 0 81 82 49 0 # H L41 156 8.621 116.797 0.355 0 U 2.574e+06 0.00e+00 a 0 81 82 1072 0 # HD1 L12 157 8.621 116.797 1.579 0 U 1.856e+06 0.00e+00 a 0 81 82 1125 0 # HB3 L12 158 8.621 116.797 3.091 0 U 4.539e+06 0.00e+00 a 0 81 82 1135 0 # HB3 F56 159 8.621 116.797 8.433 0 U 1.612e+06 0.00e+00 a 0 81 82 15 0 # H A39 160 8.621 116.797 5.989 0 U 5.303e+06 0.00e+00 a 0 81 82 985 0 # HA F56 161 8.621 116.797 2.644 0 U 7.443e+06 0.00e+00 a 0 81 82 1113 0 # HB2 C57 162 8.621 116.797 5.479 0 U 7.190e+06 0.00e+00 a 0 81 82 974 0 # HA Q42 163 8.621 116.797 5.332 0 U 2.981e+07 0.00e+00 a 0 81 82 984 0 # HA Y55 164 8.621 116.797 6.910 0 U 3.227e+06 0.00e+00 a 0 81 82 1304 0 # HD Y55 165 8.621 116.797 8.069 0 U 1.680e+06 0.00e+00 a 0 81 82 61 0 # H K40 166 8.242 126.752 1.871 0 U 8.885e+06 0.00e+00 a 0 11 12 1130 0 # HB3 E31 167 8.242 126.752 0.922 0 U 4.677e+06 0.00e+00 a 0 11 12 1162 0 # HG1 V29 168 8.242 126.752 4.078 0 U 8.285e+06 0.00e+00 a 0 11 12 964 0 # HA E31 169 8.242 126.752 5.989 0 U 8.064e+06 0.00e+00 a 0 11 12 985 0 # HA F56 170 8.242 126.752 10.364 0 U 1.599e+06 0.00e+00 a 0 11 12 31 0 # H C57 171 8.242 126.752 2.985 0 U 2.100e+06 0.00e+00 a 0 11 12 1129 0 # HB3 C30 172 8.242 126.752 7.175 0 U 1.501e+06 0.00e+00 a 0 11 12 1510 0 # H Y55 173 8.242 126.752 3.604 0 U 3.321e+07 0.00e+00 a 0 11 12 963 0 # HA C30 174 8.242 126.752 9.197 0 U 7.037e+06 0.00e+00 a 0 11 12 25 0 # H T32 175 8.242 126.752 1.308 0 U 1.659e+07 0.00e+00 a 0 11 12 1107 0 # HB2 E31 176 8.242 126.752 0.822 0 U 1.609e+06 0.00e+00 a 0 11 12 1149 0 # HG2 V29 177 8.242 126.752 2.680 0 U 3.654e+06 0.00e+00 a 0 11 12 1106 0 # HB2 C30 178 8.242 126.752 2.290 0 U 5.963e+06 0.00e+00 a 0 11 12 1154 0 # HG2 E31 179 8.242 126.752 2.531 0 U 6.461e+06 0.00e+00 a 0 11 12 1170 0 # HG3 E31 180 7.741 124.245 8.888 0 U 9.463e+06 0.00e+00 a 0 27 28 119 0 # H G34 181 7.741 124.245 4.263 0 U 1.055e+07 0.00e+00 a 0 27 28 1094 0 # HA3 G34 182 7.741 124.245 2.889 0 U 2.708e+07 0.00e+00 a 0 27 28 1131 0 # HB3 C35 183 7.741 124.245 3.953 0 U 2.900e+06 0.00e+00 a 0 27 28 1028 0 # HB S37 184 7.741 124.245 9.143 0 U 2.092e+06 0.00e+00 a 0 27 28 1 0 # H D33 185 7.741 124.245 3.891 0 U 3.181e+06 0.00e+00 a 0 27 28 1027 0 # HB S36 186 7.741 124.245 2.467 0 U 1.555e+07 0.00e+00 a 0 27 28 1108 0 # HB2 C35 187 7.741 124.245 8.756 0 U 3.733e+06 0.00e+00 a 0 27 28 111 0 # H S36 188 7.741 124.245 5.479 0 U 1.855e+07 0.00e+00 a 0 27 28 974 0 # HA Q42 189 7.741 124.245 9.197 0 U 2.061e+06 0.00e+00 a 0 27 28 25 0 # H T32 190 7.741 124.245 1.227 0 U 1.108e+07 0.00e+00 a 0 27 28 1155 0 # HG2 T32 191 7.741 124.245 4.556 0 U 1.625e+07 0.00e+00 a 0 27 28 967 0 # HA C35 192 7.741 124.245 3.628 0 U 5.421e+06 0.00e+00 a 0 27 28 1090 0 # HA2 G34 193 9.061 117.457 2.613 0 U 3.014e+06 0.00e+00 a 0 59 60 1068 0 # HG Q59 194 9.061 117.457 4.566 0 U 2.976e+06 0.00e+00 a 0 59 60 987 0 # HA S58 195 9.061 117.457 7.676 0 U 1.910e+06 0.00e+00 a 0 59 60 65 0 # H F62 196 9.061 117.457 2.797 0 U 1.605e+06 0.00e+00 a 0 59 60 1115 0 # HB2 C61 197 9.061 117.457 5.116 0 U 1.805e+06 0.00e+00 a 0 59 60 1514 0 # HG S58 198 9.061 117.457 2.410 0 U 6.809e+06 0.00e+00 a 0 59 60 1173 0 # HG3 E60 199 9.061 117.457 8.782 0 U 1.326e+06 0.00e+00 a 0 59 60 63 0 # H K63 200 9.061 117.457 2.021 0 U 3.294e+07 0.00e+00 a 0 59 60 1367 0 # HB3 E60 201 9.061 117.457 4.201 0 U 8.863e+06 0.00e+00 a 0 59 60 1040 0 # HB3 S58 202 9.061 117.457 9.315 0 U 1.066e+07 0.00e+00 a 0 59 60 181 0 # H Q59 203 9.061 117.457 4.105 0 U 1.026e+07 0.00e+00 a 0 59 60 1268 0 # HB2 S58 204 9.061 117.457 2.277 0 U 1.730e+07 0.00e+00 a 0 59 60 1160 0 # HG2 E60 205 9.061 117.457 3.950 0 U 1.954e+07 0.00e+00 a 0 59 60 989 0 # HA E60 206 9.061 117.457 1.928 0 U 2.183e+07 0.00e+00 a 0 59 60 1376 0 # HB2 E60 207 9.061 117.457 3.192 0 U 1.211e+06 0.00e+00 a 0 59 60 1138 0 # HB3 C61 208 9.061 117.457 7.517 0 U 1.285e+07 0.00e+00 a 0 59 60 29 0 # H C61 209 7.862 116.694 3.905 0 U 5.758e+06 0.00e+00 a 0 75 76 977 0 # HA C46 210 7.862 116.694 8.164 0 U 3.082e+06 0.00e+00 a 0 75 76 39 0 # H I51 211 7.862 116.694 7.083 0 U 1.172e+06 0.00e+00 a 0 75 76 71 0 # H I47 212 7.862 116.694 1.690 0 U 1.346e+07 0.00e+00 a 0 75 76 1035 0 # HB2 L49 213 7.862 116.694 0.794 0 U 1.008e+07 0.00e+00 a 0 75 76 1276 0 # HD2 L49 214 7.862 116.694 1.728 0 U 2.909e+07 0.00e+00 a 0 75 76 1067 0 # HG L49 215 7.862 116.694 1.966 0 U 1.253e+07 0.00e+00 a 0 75 76 1034 0 # HB K48 216 7.862 116.694 0.718 0 U 6.337e+06 0.00e+00 a 0 75 76 1077 0 # HD1 L49 217 7.862 116.694 1.000 0 U 2.821e+06 0.00e+00 a 0 75 76 1167 0 # HD1 I51 218 7.862 116.694 4.275 0 U 9.618e+06 0.00e+00 a 0 75 76 980 0 # HA L49 219 7.862 116.694 1.557 0 U 1.173e+07 0.00e+00 a 0 75 76 1263 0 # HB3 L49 220 7.862 116.694 4.022 0 U 4.809e+06 0.00e+00 a 0 75 76 979 0 # HA K48 221 7.862 116.694 7.305 0 U 1.277e+07 0.00e+00 a 0 75 76 51 0 # H K48 222 8.157 112.863 8.866 0 U 1.173e+07 0.00e+00 a 0 91 92 23 0 # H H69 223 8.157 112.863 7.360 0 U 3.291e+06 0.00e+00 a 0 91 92 103 0 # H T68 224 8.157 112.863 2.417 0 U 1.241e+07 0.00e+00 a 0 91 92 998 0 # HA K70 225 8.157 112.863 1.669 0 U 2.257e+06 0.00e+00 a 0 91 92 1142 0 # HB3 L71 226 8.157 112.863 1.413 0 U 1.535e+06 0.00e+00 a 0 91 92 1120 0 # HB2 L71 227 8.157 112.863 3.953 0 U 4.162e+06 0.00e+00 a 0 91 92 997 0 # HA H69 228 8.157 112.863 1.005 0 U 3.631e+07 0.00e+00 a 0 91 92 1141 0 # HB3 K70 229 8.157 112.863 6.752 0 U 7.804e+06 0.00e+00 a 0 91 92 1306 0 # HD2 H69 230 8.157 112.863 -0.506 0 U 1.845e+07 0.00e+00 a 0 91 92 1119 0 # HB2 K70 231 8.157 112.863 4.156 0 U 6.232e+06 0.00e+00 a 0 91 92 996 0 # HA T68 232 8.157 112.863 3.192 0 U 7.133e+06 0.00e+00 a 0 91 92 1140 0 # HB3 H69 233 8.157 112.863 0.964 0 U 1.624e+08 0.00e+00 a 0 91 92 1421 0 # HG3 K70 234 8.157 112.863 2.783 0 U 1.397e+07 0.00e+00 a 0 91 92 1118 0 # HB2 H69 235 8.157 112.863 6.956 0 U 2.122e+06 0.00e+00 a 0 91 92 1326 0 # HZ3 W66 236 8.157 112.863 3.555 0 U 2.123e+06 0.00e+00 a 0 91 92 995 0 # HA A67 237 8.157 112.863 6.770 0 U 7.804e+06 0.00e+00 a 0 91 92 41 0 # H L71 238 8.157 112.863 7.722 0 U 2.286e+06 0.00e+00 a 0 91 92 67 0 # H L72 240 8.157 112.863 0.484 0 U 6.986e+06 0.00e+00 a 0 91 92 1419 0 # HG2 K70 241 8.874 124.224 8.155 0 U 6.155e+06 0.00e+00 a 0 107 108 491 0 # H E11 242 8.874 124.224 4.188 0 U 4.622e+07 0.00e+00 a 0 107 108 945 0 # HA E11 243 8.874 124.224 -0.605 0 U 4.630e+06 0.00e+00 a 0 107 108 1057 0 # HD2 L12 244 8.874 124.224 1.008 0 U 1.045e+06 0.00e+00 a 0 107 108 1272 0 # HG1 V13 245 8.874 124.224 2.234 0 U 4.743e+06 0.00e+00 a 0 107 108 1056 0 # HG E11 246 8.874 124.224 0.355 0 U 4.909e+06 0.00e+00 a 0 107 108 1072 0 # HD1 L12 247 8.874 124.224 6.890 0 U 3.485e+06 0.00e+00 a 0 107 108 1461 0 # HE22 Q59 248 8.874 124.224 1.579 0 U 1.638e+07 0.00e+00 a 0 107 108 1125 0 # HB3 L12 249 8.874 124.224 1.887 0 U 6.618e+06 0.00e+00 a 0 107 108 1013 0 # HB E11 250 8.874 124.224 8.375 0 U 1.934e+06 0.00e+00 a 0 107 108 95 0 # H V13 251 8.874 124.224 0.755 0 U 2.062e+06 0.00e+00 a 0 107 108 1075 0 # HD1 L41 252 8.874 124.224 2.295 0 U 5.390e+06 0.00e+00 a 0 107 108 1282 0 # HB V13 253 8.874 124.224 1.270 0 U 1.846e+07 0.00e+00 a 0 107 108 1397 0 # HG L12 254 8.874 124.224 4.007 0 U 1.013e+07 0.00e+00 a 0 107 108 946 0 # HA L12 255 8.874 124.224 1.320 0 U 2.419e+07 0.00e+00 a 0 107 108 1101 0 # HB2 L12 256 8.874 124.224 7.761 0 U 8.083e+06 0.00e+00 a 0 107 108 1449 0 # HE21 Q59 257 8.115 109.037 0.955 0 U 2.383e+06 0.00e+00 a 0 123 124 1164 0 # HG12 I47 258 8.115 109.037 4.275 0 U 2.333e+07 0.00e+00 a 0 123 124 982 0 # HA Q52 259 8.115 109.037 1.939 0 U 2.954e+06 0.00e+00 a 0 123 124 1374 0 # HB2 Q52 260 8.115 109.037 8.678 0 U 7.268e+06 0.00e+00 a 0 123 124 69 0 # H S54 261 8.115 109.037 2.384 0 U 2.186e+06 0.00e+00 a 0 123 124 1172 0 # HG3 Q52 262 8.115 109.037 6.698 0 U 2.195e+06 0.00e+00 a 0 123 124 1316 0 # HE Y55 263 8.115 109.037 3.289 0 U 1.223e+07 0.00e+00 a 0 123 124 1092 0 # HA2 G53 264 8.115 109.037 3.901 0 U 1.050e+07 0.00e+00 a 0 123 124 1096 0 # HA3 G53 265 8.115 109.037 2.084 0 U 5.454e+06 0.00e+00 a 0 123 124 1365 0 # HB3 Q52 266 7.289 111.644 0.736 0 U 5.252e+06 0.00e+00 a 0 1457 1458 1297 0 # HG12 I15 267 7.289 111.644 1.848 0 U 6.331e+06 0.00e+00 a 0 1457 1458 1110 0 # HB2 Q42 268 7.289 111.644 1.008 0 U 1.523e+06 0.00e+00 a 0 1457 1458 1272 0 # HG1 V13 269 7.289 111.644 1.919 0 U 5.034e+06 0.00e+00 a 0 1457 1458 1407 0 # HG3 Q42 270 7.289 111.644 8.509 0 U 1.241e+06 0.00e+00 a 0 1457 1458 53 0 # H E16 271 7.289 111.644 3.949 0 U 4.674e+06 0.00e+00 a 0 1457 1458 948 0 # HA I15 272 7.289 111.644 1.737 0 U 2.892e+06 0.00e+00 a 0 1457 1458 1406 0 # HG2 Q42 273 7.289 111.644 0.812 0 U 4.455e+06 0.00e+00 a 0 1457 1458 1270 0 # HG2 V13 274 7.289 111.644 6.698 0 U 2.105e+06 0.00e+00 a 0 1457 1458 1316 0 # HE Y55 275 7.289 111.644 2.170 0 U 5.803e+06 0.00e+00 a 0 1457 1458 1133 0 # HB3 Q42 276 7.289 111.644 6.956 0 U 7.358e+07 0.00e+00 a 0 1457 1458 1463 0 # HE22 Q42 277 6.890 113.260 2.613 0 U 7.749e+06 0.00e+00 a 0 1461 1450 1068 0 # HG Q59 278 6.890 113.260 2.274 0 U 1.731e+07 0.00e+00 a 0 1461 1450 1137 0 # HB3 Q59 279 6.890 113.260 8.874 0 U 3.795e+06 0.00e+00 a 0 1461 1450 107 0 # H L12 280 6.890 113.260 1.579 0 U 2.359e+06 0.00e+00 a 0 1461 1450 1125 0 # HB3 L12 281 6.890 113.260 1.976 0 U 3.623e+06 0.00e+00 a 0 1461 1450 1114 0 # HB2 Q59 282 6.890 113.260 1.887 0 U 2.970e+06 0.00e+00 a 0 1461 1450 1013 0 # HB E11 283 6.890 113.260 4.201 0 U 8.049e+06 0.00e+00 a 0 1461 1450 1040 0 # HB3 S58 284 6.890 113.260 1.320 0 U 1.711e+06 0.00e+00 a 0 1461 1450 1101 0 # HB2 L12 285 6.890 113.260 7.761 0 U 6.361e+07 0.00e+00 a 0 1461 1450 1449 0 # HE21 Q59 286 6.890 113.260 3.845 0 U 2.209e+06 0.00e+00 a 0 1461 1450 988 0 # HA Q59 287 10.049 128.287 2.073 0 U 2.151e+06 0.00e+00 a 0 1334 1335 1381 0 # HB3 C9 288 10.049 128.287 1.206 0 U 2.178e+06 0.00e+00 a 0 1334 1335 1380 0 # HB2 C9 289 10.049 128.287 1.005 0 U 9.077e+06 0.00e+00 a 0 1334 1335 1141 0 # HB3 K70 290 10.049 128.287 4.621 0 U 2.643e+06 0.00e+00 a 0 1334 1335 943 0 # HA D8 291 10.049 128.287 -0.506 0 U 1.076e+06 0.00e+00 a 0 1334 1335 1119 0 # HB2 K70 292 10.049 128.287 2.783 0 U 3.069e+06 0.00e+00 a 0 1334 1335 1118 0 # HB2 H69 293 10.049 128.287 2.504 0 U 1.666e+06 0.00e+00 a 0 1334 1335 1012 0 # HB D8 294 10.049 128.287 7.256 0 U 1.860e+07 0.00e+00 a 0 1334 1335 1320 0 # HD1 W66 295 10.049 128.287 7.296 0 U 8.689e+06 0.00e+00 a 0 1334 1335 1298 0 # HZ2 W66 296 10.049 128.287 2.270 0 U 2.063e+06 0.00e+00 a 0 1334 1335 1382 0 # HA C9 297 10.049 128.287 7.939 0 U 2.044e+06 0.00e+00 a 0 1334 1335 93 0 # H C9 298 9.143 132.015 4.456 0 U 1.316e+07 0.00e+00 a 0 1 2 966 0 # HA D33 299 9.143 132.015 4.263 0 U 3.868e+07 0.00e+00 a 0 1 2 1094 0 # HA3 G34 300 9.143 132.015 4.212 0 U 3.578e+07 0.00e+00 a 0 1 2 965 0 # HA T32 301 9.143 132.015 7.741 0 U 7.870e+05 0.00e+00 a 0 1 2 27 0 # H C35 302 9.143 132.015 2.724 0 U 3.894e+07 0.00e+00 a 0 1 2 1026 0 # HB D33 303 9.143 132.015 1.227 0 U 1.622e+07 0.00e+00 a 0 1 2 1155 0 # HG2 T32 304 8.266 128.072 0.922 0 U 1.568e+07 0.00e+00 a 0 3 4 1162 0 # HG1 V29 305 8.266 128.072 5.989 0 U 1.178e+06 0.00e+00 a 0 3 4 985 0 # HA F56 306 8.266 128.072 10.364 0 U 1.472e+06 0.00e+00 a 0 3 4 31 0 # H C57 307 8.266 128.072 2.985 0 U 1.954e+07 0.00e+00 a 0 3 4 1129 0 # HB3 C30 308 8.266 128.072 3.604 0 U 9.816e+06 0.00e+00 a 0 3 4 963 0 # HA C30 309 8.266 128.072 0.822 0 U 5.002e+06 0.00e+00 a 0 3 4 1149 0 # HG2 V29 310 8.266 128.072 4.110 0 U 4.053e+07 0.00e+00 a 0 3 4 962 0 # HA V29 311 8.266 128.072 2.680 0 U 2.331e+07 0.00e+00 a 0 3 4 1106 0 # HB2 C30 312 8.266 128.072 8.872 0 U 1.873e+06 0.00e+00 a 0 3 4 45 0 # H S37 313 8.266 128.072 1.785 0 U 4.513e+06 0.00e+00 a 0 3 4 1024 0 # HB V29 314 8.193 124.126 7.083 0 U 1.657e+06 0.00e+00 a 0 505 506 71 0 # H I47 315 8.193 124.126 2.079 0 U 6.505e+06 0.00e+00 a 0 505 506 1448 0 # HG2 P44 316 8.193 124.126 3.903 0 U 1.225e+07 0.00e+00 a 0 505 506 976 0 # HA T45 317 8.193 124.126 1.919 0 U 3.194e+06 0.00e+00 a 0 505 506 1407 0 # HG3 Q42 318 8.193 124.126 0.753 0 U 6.468e+06 0.00e+00 a 0 505 506 1157 0 # HG2 T45 319 8.193 124.126 4.084 0 U 5.480e+06 0.00e+00 a 0 505 506 1352 0 # HD3 P44 320 8.193 124.126 8.713 0 U 1.906e+07 0.00e+00 a 0 505 506 5 0 # H C46 321 8.193 124.126 4.417 0 U 4.556e+06 0.00e+00 a 0 505 506 975 0 # HA P44 322 8.193 124.126 4.053 0 U 5.542e+06 0.00e+00 a 0 505 506 1294 0 # HD2 P44 323 8.193 124.126 2.270 0 U 4.905e+06 0.00e+00 a 0 505 506 1134 0 # HB3 P44 324 8.193 124.126 2.532 0 U 4.426e+06 0.00e+00 a 0 505 506 1293 0 # HG3 P44 325 8.193 124.126 3.656 0 U 2.006e+07 0.00e+00 a 0 505 506 1032 0 # HB T45 326 8.193 124.126 3.035 0 U 2.066e+06 0.00e+00 a 0 505 506 1123 0 # HB2 C46 327 8.193 124.126 2.122 0 U 1.036e+07 0.00e+00 a 0 505 506 1111 0 # HB2 P44 328 8.713 126.208 3.905 0 U 9.114e+06 0.00e+00 a 0 5 6 977 0 # HA C46 329 8.713 126.208 7.083 0 U 1.156e+07 0.00e+00 a 0 5 6 71 0 # H I47 330 8.713 126.208 3.151 0 U 1.435e+07 0.00e+00 a 0 5 6 1364 0 # HB3 C46 331 8.713 126.208 3.903 0 U 9.114e+06 0.00e+00 a 0 5 6 976 0 # HA T45 332 8.713 126.208 0.753 0 U 8.235e+06 0.00e+00 a 0 5 6 1157 0 # HG2 T45 333 8.713 126.208 2.853 0 U 3.469e+06 0.00e+00 a 0 5 6 1385 0 # HB2 C43 334 8.713 126.208 8.193 0 U 2.739e+07 0.00e+00 a 0 5 6 505 0 # H T45 335 8.713 126.208 1.819 0 U 4.197e+06 0.00e+00 a 0 5 6 1033 0 # HB I47 336 8.713 126.208 3.656 0 U 1.753e+07 0.00e+00 a 0 5 6 1032 0 # HB T45 337 8.713 126.208 3.035 0 U 2.080e+07 0.00e+00 a 0 5 6 1123 0 # HB2 C46 338 8.713 126.208 7.305 0 U 1.834e+06 0.00e+00 a 0 5 6 51 0 # H K48 339 8.713 126.208 7.747 0 U 1.165e+06 0.00e+00 a 0 5 6 13 0 # H C43 340 8.341 123.607 4.452 0 U 4.396e+07 0.00e+00 a 0 37 38 961 0 # HA R28 341 8.341 123.607 0.853 0 U 1.590e+07 0.00e+00 a 0 37 38 1030 0 # HB A39 342 8.341 123.607 1.416 0 U 8.385e+06 0.00e+00 a 0 37 38 1105 0 # HB2 R28 343 8.341 123.607 1.102 0 U 2.818e+06 0.00e+00 a 0 37 38 1153 0 # HG2 R28 344 8.341 123.607 1.279 0 U 2.590e+06 0.00e+00 a 0 37 38 1169 0 # HG3 R28 345 8.341 123.607 2.384 0 U 1.553e+06 0.00e+00 a 0 37 38 1073 0 # HD2 R28 346 8.341 123.607 8.670 0 U 2.766e+06 0.00e+00 a 0 37 38 17 0 # H R28 347 8.341 123.607 0.922 0 U 1.082e+07 0.00e+00 a 0 37 38 1162 0 # HG1 V29 348 8.341 123.607 2.458 0 U 1.483e+06 0.00e+00 a 0 37 38 1288 0 # HD3 R28 349 8.341 123.607 1.614 0 U 4.569e+06 0.00e+00 a 0 37 38 1128 0 # HB3 R28 350 8.341 123.607 0.822 0 U 4.643e+06 0.00e+00 a 0 37 38 1149 0 # HG2 V29 351 8.341 123.607 4.110 0 U 9.206e+06 0.00e+00 a 0 37 38 962 0 # HA V29 352 8.341 123.607 1.785 0 U 1.954e+07 0.00e+00 a 0 37 38 1024 0 # HB V29 353 8.509 127.200 7.627 0 U 2.497e+06 0.00e+00 a 0 53 54 87 0 # H I15 354 8.509 127.200 0.736 0 U 7.118e+06 0.00e+00 a 0 53 54 1297 0 # HG12 I15 355 8.509 127.200 1.259 0 U 1.670e+06 0.00e+00 a 0 53 54 1163 0 # HG13 I15 356 8.509 127.200 4.383 0 U 7.145e+06 0.00e+00 a 0 53 54 949 0 # HA E16 357 8.509 127.200 1.464 0 U 4.173e+06 0.00e+00 a 0 53 54 1014 0 # HB I15 358 8.509 127.200 7.289 0 U 1.233e+06 0.00e+00 a 0 53 54 1457 0 # HE21 Q42 359 8.509 127.200 3.949 0 U 2.756e+07 0.00e+00 a 0 53 54 948 0 # HA I15 360 8.509 127.200 0.697 0 U 7.850e+06 0.00e+00 a 0 53 54 1150 0 # HG2 I15 361 8.509 127.200 2.227 0 U 5.881e+06 0.00e+00 a 0 53 54 1059 0 # HG E16 362 8.509 127.200 1.966 0 U 1.256e+07 0.00e+00 a 0 53 54 1360 0 # HB3 E16 363 8.509 127.200 6.956 0 U 1.287e+06 0.00e+00 a 0 53 54 1463 0 # HE22 Q42 364 8.509 127.200 1.911 0 U 1.082e+07 0.00e+00 a 0 53 54 1370 0 # HB2 E16 365 8.678 119.096 0.955 0 U 1.547e+06 0.00e+00 a 0 69 70 1164 0 # HG12 I47 366 8.678 119.096 2.556 0 U 1.396e+06 0.00e+00 a 0 69 70 1375 0 # HB2 Y55 367 8.678 119.096 8.115 0 U 7.760e+06 0.00e+00 a 0 69 70 123 0 # H G53 368 8.678 119.096 1.887 0 U 1.316e+06 0.00e+00 a 0 69 70 1013 0 # HB E11 369 8.678 119.096 6.698 0 U 1.655e+06 0.00e+00 a 0 69 70 1316 0 # HE Y55 370 8.678 119.096 3.289 0 U 1.119e+07 0.00e+00 a 0 69 70 1092 0 # HA2 G53 371 8.678 119.096 7.175 0 U 7.099e+06 0.00e+00 a 0 69 70 1510 0 # H Y55 372 8.678 119.096 3.901 0 U 1.762e+07 0.00e+00 a 0 69 70 1038 0 # HB S54 373 8.678 119.096 6.910 0 U 2.249e+06 0.00e+00 a 0 69 70 1304 0 # HD Y55 374 8.678 119.096 4.288 0 U 2.470e+07 0.00e+00 a 0 69 70 983 0 # HA S54 375 7.316 113.301 4.566 0 U 1.099e+07 0.00e+00 a 0 85 86 987 0 # HA S58 376 7.316 113.301 7.676 0 U 3.051e+06 0.00e+00 a 0 85 86 65 0 # H F62 377 7.316 113.301 2.797 0 U 7.575e+06 0.00e+00 a 0 85 86 1115 0 # HB2 C61 378 7.316 113.301 3.094 0 U 1.542e+07 0.00e+00 a 0 85 86 1136 0 # HB3 C57 379 7.316 113.301 7.675 0 U 3.051e+06 0.00e+00 a 0 85 86 1328 0 # HD F62 380 7.316 113.301 5.116 0 U 9.682e+06 0.00e+00 a 0 85 86 1514 0 # HG S58 381 7.316 113.301 0.355 0 U 4.015e+06 0.00e+00 a 0 85 86 1072 0 # HD1 L12 382 7.316 113.301 4.712 0 U 4.903e+06 0.00e+00 a 0 85 86 986 0 # HA C57 383 7.316 113.301 5.989 0 U 2.914e+06 0.00e+00 a 0 85 86 985 0 # HA F56 384 7.316 113.301 10.364 0 U 1.462e+07 0.00e+00 a 0 85 86 31 0 # H C57 385 7.316 113.301 4.201 0 U 6.479e+06 0.00e+00 a 0 85 86 1040 0 # HB3 S58 386 7.316 113.301 2.644 0 U 4.363e+06 0.00e+00 a 0 85 86 1113 0 # HB2 C57 387 7.316 113.301 9.315 0 U 1.460e+06 0.00e+00 a 0 85 86 181 0 # H Q59 388 7.316 113.301 4.105 0 U 5.219e+06 0.00e+00 a 0 85 86 1268 0 # HB2 S58 389 7.316 113.301 0.755 0 U 3.965e+06 0.00e+00 a 0 85 86 1075 0 # HD1 L41 390 7.316 113.301 2.234 0 U 5.863e+06 0.00e+00 a 0 85 86 1112 0 # HB2 F56 391 7.316 113.301 3.192 0 U 1.563e+07 0.00e+00 a 0 85 86 1138 0 # HB3 C61 392 7.316 113.301 7.517 0 U 6.698e+06 0.00e+00 a 0 85 86 29 0 # H C61 393 7.316 113.301 3.845 0 U 1.500e+06 0.00e+00 a 0 85 86 988 0 # HA Q59 394 7.849 109.008 8.164 0 U 2.066e+07 0.00e+00 a 0 101 102 39 0 # H I51 395 7.849 109.008 0.794 0 U 3.145e+06 0.00e+00 a 0 101 102 1276 0 # HD2 L49 396 7.849 109.008 1.723 0 U 6.747e+06 0.00e+00 a 0 101 102 1295 0 # HG13 I47 397 7.849 109.008 1.966 0 U 2.281e+06 0.00e+00 a 0 101 102 1034 0 # HB K48 398 7.849 109.008 1.000 0 U 2.672e+06 0.00e+00 a 0 101 102 1167 0 # HD1 I51 399 7.849 109.008 4.275 0 U 6.664e+06 0.00e+00 a 0 101 102 980 0 # HA L49 400 7.849 109.008 1.568 0 U 4.191e+06 0.00e+00 a 0 101 102 1076 0 # HG3 K48 401 7.849 109.008 3.804 0 U 3.037e+07 0.00e+00 a 0 101 102 1091 0 # HA2 G50 402 7.849 109.008 7.305 0 U 2.546e+06 0.00e+00 a 0 101 102 51 0 # H K48 403 7.849 109.008 4.058 0 U 2.075e+07 0.00e+00 a 0 101 102 1095 0 # HA3 G50 404 8.433 126.947 2.069 0 U 6.537e+06 0.00e+00 a 0 15 16 1132 0 # HB3 K40 405 8.433 126.947 0.853 0 U 2.575e+07 0.00e+00 a 0 15 16 1030 0 # HB A39 406 8.433 126.947 1.416 0 U 2.075e+06 0.00e+00 a 0 15 16 1105 0 # HB2 R28 407 8.433 126.947 1.102 0 U 2.301e+06 0.00e+00 a 0 15 16 1153 0 # HG2 R28 408 8.433 126.947 4.003 0 U 9.847e+06 0.00e+00 a 0 15 16 971 0 # HA A39 409 8.433 126.947 8.621 0 U 2.742e+06 0.00e+00 a 0 15 16 81 0 # H F56 410 8.433 126.947 1.925 0 U 5.124e+06 0.00e+00 a 0 15 16 1363 0 # HB3 E38 411 8.433 126.947 4.206 0 U 4.962e+07 0.00e+00 a 0 15 16 970 0 # HA E38 412 8.433 126.947 1.825 0 U 5.273e+06 0.00e+00 a 0 15 16 1373 0 # HB2 E38 413 8.433 126.947 2.644 0 U 1.872e+06 0.00e+00 a 0 15 16 1113 0 # HB2 C57 414 8.433 126.947 3.604 0 U 1.297e+06 0.00e+00 a 0 15 16 963 0 # HA C30 415 8.433 126.947 2.353 0 U 7.420e+06 0.00e+00 a 0 15 16 1171 0 # HG3 E38 416 8.433 126.947 1.614 0 U 3.029e+06 0.00e+00 a 0 15 16 1128 0 # HB3 R28 417 8.433 126.947 8.069 0 U 2.236e+06 0.00e+00 a 0 15 16 61 0 # H K40 418 10.364 121.885 0.853 0 U 3.384e+06 0.00e+00 a 0 31 32 1030 0 # HB A39 419 10.364 121.885 4.003 0 U 3.927e+06 0.00e+00 a 0 31 32 971 0 # HA A39 420 10.364 121.885 3.094 0 U 1.622e+07 0.00e+00 a 0 31 32 1136 0 # HB3 C57 421 10.364 121.885 8.242 0 U 1.404e+06 0.00e+00 a 0 31 32 11 0 # H E31 422 10.364 121.885 7.675 0 U 1.201e+06 0.00e+00 a 0 31 32 1328 0 # HD F62 423 10.364 121.885 4.712 0 U 6.628e+06 0.00e+00 a 0 31 32 986 0 # HA C57 424 10.364 121.885 8.266 0 U 2.189e+06 0.00e+00 a 0 31 32 3 0 # H C30 425 10.364 121.885 7.316 0 U 1.029e+07 0.00e+00 a 0 31 32 85 0 # H S58 426 10.364 121.885 5.989 0 U 2.406e+07 0.00e+00 a 0 31 32 985 0 # HA F56 427 10.364 121.885 2.644 0 U 1.636e+07 0.00e+00 a 0 31 32 1113 0 # HB2 C57 428 10.364 121.885 3.604 0 U 4.316e+06 0.00e+00 a 0 31 32 963 0 # HA C30 429 10.364 121.885 2.234 0 U 4.469e+06 0.00e+00 a 0 31 32 1112 0 # HB2 F56 430 8.782 118.547 2.580 0 U 7.488e+06 0.00e+00 a 0 63 64 1116 0 # HB2 F62 431 8.782 118.547 7.676 0 U 1.041e+07 0.00e+00 a 0 63 64 65 0 # H F62 432 8.782 118.547 1.574 0 U 6.974e+06 0.00e+00 a 0 63 64 1078 0 # HD2 K63 433 8.782 118.547 3.848 0 U 2.255e+07 0.00e+00 a 0 63 64 992 0 # HA K63 434 8.782 118.547 9.061 0 U 1.629e+06 0.00e+00 a 0 63 64 59 0 # H E60 435 8.782 118.547 0.355 0 U 1.963e+06 0.00e+00 a 0 63 64 1072 0 # HD1 L12 436 8.782 118.547 3.141 0 U 2.127e+06 0.00e+00 a 0 63 64 1368 0 # HB3 W66 437 8.782 118.547 1.880 0 U 4.007e+07 0.00e+00 a 0 63 64 1042 0 # HB K63 438 8.782 118.547 7.660 0 U 1.063e+07 0.00e+00 a 0 63 64 79 0 # H S65 439 8.782 118.547 1.670 0 U 1.806e+06 0.00e+00 a 0 63 64 1416 0 # HD3 K63 440 8.782 118.547 7.751 0 U 1.390e+07 0.00e+00 a 0 63 64 105 0 # H G64 441 8.782 118.547 2.839 0 U 1.341e+07 0.00e+00 a 0 63 64 1086 0 # HE K63 442 8.782 118.547 1.504 0 U 7.890e+06 0.00e+00 a 0 63 64 1415 0 # HG3 K63 443 8.782 118.547 2.277 0 U 2.332e+06 0.00e+00 a 0 63 64 1160 0 # HG2 E60 444 8.782 118.547 1.416 0 U 2.747e+06 0.00e+00 a 0 63 64 1069 0 # HG2 K63 445 8.782 118.547 7.517 0 U 2.406e+06 0.00e+00 a 0 63 64 29 0 # H C61 446 7.660 116.668 4.867 0 U 9.118e+06 0.00e+00 a 0 79 80 993 0 # HA S65 447 7.660 116.668 4.218 0 U 1.778e+07 0.00e+00 a 0 79 80 1147 0 # HB3 S65 448 7.660 116.668 3.141 0 U 4.257e+06 0.00e+00 a 0 79 80 1368 0 # HB3 W66 449 7.660 116.668 1.880 0 U 1.468e+06 0.00e+00 a 0 79 80 1042 0 # HB K63 450 7.660 116.668 3.853 0 U 8.439e+06 0.00e+00 a 0 79 80 991 0 # HA F62 451 7.660 116.668 8.782 0 U 2.248e+06 0.00e+00 a 0 79 80 63 0 # H K63 452 7.660 116.668 1.262 0 U 1.799e+06 0.00e+00 a 0 79 80 1161 0 # HG2 T68 453 7.660 116.668 5.479 0 U 1.362e+06 0.00e+00 a 0 79 80 974 0 # HA Q42 454 7.660 116.668 7.751 0 U 2.423e+07 0.00e+00 a 0 79 80 105 0 # H G64 455 7.660 116.668 7.741 0 U 2.423e+07 0.00e+00 a 0 79 80 19 0 # H W66 456 7.660 116.668 4.105 0 U 2.398e+07 0.00e+00 a 0 79 80 1117 0 # HB2 S65 457 7.660 116.668 5.926 0 U 3.453e+06 0.00e+00 a 0 79 80 1515 0 # HG S65 458 7.660 116.668 8.563 0 U 1.128e+06 0.00e+00 a 0 79 80 77 0 # H A67 459 8.375 112.322 -0.605 0 U 5.608e+06 0.00e+00 a 0 95 96 1057 0 # HD2 L12 460 8.375 112.322 1.008 0 U 6.467e+06 0.00e+00 a 0 95 96 1272 0 # HG1 V13 461 8.375 112.322 0.355 0 U 1.640e+06 0.00e+00 a 0 95 96 1072 0 # HD1 L12 462 8.375 112.322 8.874 0 U 1.505e+06 0.00e+00 a 0 95 96 107 0 # H L12 463 8.375 112.322 1.579 0 U 5.266e+06 0.00e+00 a 0 95 96 1125 0 # HB3 L12 464 8.375 112.322 1.887 0 U 1.499e+06 0.00e+00 a 0 95 96 1013 0 # HB E11 465 8.375 112.322 0.812 0 U 1.910e+07 0.00e+00 a 0 95 96 1270 0 # HG2 V13 466 8.375 112.322 4.335 0 U 1.368e+06 0.00e+00 a 0 95 96 1384 0 # HA C43 467 8.375 112.322 4.921 0 U 3.697e+06 0.00e+00 a 0 95 96 1285 0 # HA V13 468 8.375 112.322 4.608 0 U 7.644e+05 0.00e+00 a 0 95 96 947 0 # HA P14 469 8.375 112.322 2.295 0 U 3.766e+06 0.00e+00 a 0 95 96 1282 0 # HB V13 470 8.375 112.322 5.074 0 U 1.631e+06 0.00e+00 a 0 95 96 973 0 # HA L41 471 8.375 112.322 9.738 0 U 8.510e+06 0.00e+00 a 0 95 96 35 0 # H Q42 472 8.375 112.322 4.007 0 U 2.625e+07 0.00e+00 a 0 95 96 946 0 # HA L12 473 8.375 112.322 1.320 0 U 9.629e+06 0.00e+00 a 0 95 96 1101 0 # HB2 L12 474 8.375 112.322 2.122 0 U 1.891e+06 0.00e+00 a 0 95 96 1111 0 # HB2 P44 475 8.756 122.255 2.889 0 U 2.631e+06 0.00e+00 a 0 111 112 1131 0 # HB3 C35 476 8.756 122.255 3.953 0 U 1.322e+07 0.00e+00 a 0 111 112 1028 0 # HB S37 477 8.756 122.255 7.741 0 U 2.057e+06 0.00e+00 a 0 111 112 27 0 # H C35 478 8.756 122.255 3.891 0 U 1.356e+07 0.00e+00 a 0 111 112 1027 0 # HB S36 479 8.756 122.255 2.467 0 U 3.407e+06 0.00e+00 a 0 111 112 1108 0 # HB2 C35 480 8.756 122.255 4.747 0 U 1.457e+07 0.00e+00 a 0 111 112 968 0 # HA S36 481 8.756 122.255 4.556 0 U 4.034e+07 0.00e+00 a 0 111 112 967 0 # HA C35 482 6.860 112.745 2.384 0 U 1.476e+06 0.00e+00 a 0 1465 1456 1172 0 # HG3 Q52 483 6.860 112.745 7.479 0 U 1.291e+08 0.00e+00 a 0 1465 1456 1455 0 # HE21 Q52 484 6.860 112.745 2.353 0 U 1.039e+06 0.00e+00 a 0 1465 1456 1159 0 # HG2 Q52 485 8.373 117.253 4.383 0 U 6.917e+06 0.00e+00 a 0 487 488 949 0 # HA E16 486 9.315 123.690 2.613 0 U 3.665e+06 0.00e+00 a 0 181 182 1068 0 # HG Q59 487 9.315 123.690 2.274 0 U 1.575e+07 0.00e+00 a 0 181 182 1137 0 # HB3 Q59 488 9.315 123.690 4.566 0 U 1.711e+07 0.00e+00 a 0 181 182 987 0 # HA S58 489 9.315 123.690 9.061 0 U 5.708e+06 0.00e+00 a 0 181 182 59 0 # H E60 490 9.315 123.690 0.355 0 U 2.637e+06 0.00e+00 a 0 181 182 1072 0 # HD1 L12 491 9.315 123.690 1.976 0 U 1.072e+07 0.00e+00 a 0 181 182 1114 0 # HB2 Q59 492 9.315 123.690 7.316 0 U 9.757e+05 0.00e+00 a 0 181 182 85 0 # H S58 493 9.315 123.690 4.201 0 U 7.066e+06 0.00e+00 a 0 181 182 1040 0 # HB3 S58 494 9.315 123.690 4.105 0 U 6.710e+06 0.00e+00 a 0 181 182 1268 0 # HB2 S58 495 9.315 123.690 0.755 0 U 4.922e+06 0.00e+00 a 0 181 182 1075 0 # HD1 L41 496 9.315 123.690 3.845 0 U 6.978e+06 0.00e+00 a 0 181 182 988 0 # HA Q59 497 7.175 123.034 0.853 0 U 2.243e+06 0.00e+00 a 0 1510 44 1030 0 # HB A39 498 7.175 123.034 2.556 0 U 1.929e+07 0.00e+00 a 0 1510 44 1375 0 # HB2 Y55 499 7.175 123.034 8.242 0 U 1.365e+06 0.00e+00 a 0 1510 44 11 0 # H E31 500 7.175 123.034 8.678 0 U 8.092e+06 0.00e+00 a 0 1510 44 69 0 # H S54 501 7.175 123.034 1.887 0 U 2.299e+06 0.00e+00 a 0 1510 44 1013 0 # HB E11 502 7.175 123.034 3.289 0 U 1.182e+06 0.00e+00 a 0 1510 44 1092 0 # HA2 G53 503 7.175 123.034 5.332 0 U 5.608e+06 0.00e+00 a 0 1510 44 984 0 # HA Y55 504 7.175 123.034 2.642 0 U 1.376e+07 0.00e+00 a 0 1510 44 1366 0 # HB3 Y55 505 7.175 123.034 3.901 0 U 4.283e+06 0.00e+00 a 0 1510 44 1038 0 # HB S54 506 7.175 123.034 2.295 0 U 5.316e+06 0.00e+00 a 0 1510 44 1282 0 # HB V13 507 7.175 123.034 1.320 0 U 3.643e+06 0.00e+00 a 0 1510 44 1101 0 # HB2 L12 508 7.175 123.034 4.288 0 U 2.526e+07 0.00e+00 a 0 1510 44 983 0 # HA S54 509 8.636 126.771 0.955 0 U 1.573e+07 0.00e+00 a 0 9 10 1164 0 # HG12 I47 510 8.636 126.771 8.164 0 U 3.194e+06 0.00e+00 a 0 9 10 39 0 # H I51 511 8.636 126.771 4.275 0 U 1.085e+07 0.00e+00 a 0 9 10 982 0 # HA Q52 512 8.636 126.771 1.939 0 U 1.896e+07 0.00e+00 a 0 9 10 1374 0 # HB2 Q52 513 8.636 126.771 4.030 0 U 4.035e+07 0.00e+00 a 0 9 10 981 0 # HA I51 514 8.636 126.771 2.384 0 U 1.129e+07 0.00e+00 a 0 9 10 1172 0 # HG3 Q52 515 8.636 126.771 1.520 0 U 2.384e+06 0.00e+00 a 0 9 10 1165 0 # HG1 I51 516 8.636 126.771 2.084 0 U 1.138e+07 0.00e+00 a 0 9 10 1365 0 # HB3 Q52 517 8.636 126.771 2.353 0 U 1.371e+06 0.00e+00 a 0 9 10 1159 0 # HG2 Q52 518 9.197 124.893 4.263 0 U 1.426e+07 0.00e+00 a 0 25 26 1094 0 # HA3 G34 519 9.197 124.893 2.889 0 U 6.645e+06 0.00e+00 a 0 25 26 1131 0 # HB3 C35 520 9.197 124.893 7.408 0 U 1.141e+06 0.00e+00 a 0 25 26 1473 0 # HZ F56 521 9.197 124.893 4.212 0 U 1.254e+07 0.00e+00 a 0 25 26 965 0 # HA T32 522 9.197 124.893 8.242 0 U 1.000e+07 0.00e+00 a 0 25 26 11 0 # H E31 523 9.197 124.893 7.741 0 U 1.704e+06 0.00e+00 a 0 25 26 27 0 # H C35 524 9.197 124.893 1.871 0 U 2.438e+06 0.00e+00 a 0 25 26 1130 0 # HB3 E31 525 9.197 124.893 4.078 0 U 5.991e+06 0.00e+00 a 0 25 26 964 0 # HA E31 526 9.197 124.893 2.467 0 U 4.018e+06 0.00e+00 a 0 25 26 1108 0 # HB2 C35 527 9.197 124.893 5.989 0 U 2.193e+06 0.00e+00 a 0 25 26 985 0 # HA F56 528 9.197 124.893 5.479 0 U 9.396e+06 0.00e+00 a 0 25 26 974 0 # HA Q42 529 9.197 124.893 3.604 0 U 3.668e+06 0.00e+00 a 0 25 26 963 0 # HA C30 530 9.197 124.893 1.227 0 U 8.915e+06 0.00e+00 a 0 25 26 1155 0 # HG2 T32 531 9.197 124.893 4.544 0 U 2.601e+07 0.00e+00 a 0 25 26 1025 0 # HB T32 532 9.197 124.893 2.680 0 U 2.343e+06 0.00e+00 a 0 25 26 1106 0 # HB2 C30 533 9.197 124.893 6.494 0 U 2.940e+06 0.00e+00 a 0 25 26 1330 0 # HE F56 534 6.770 120.402 2.417 0 U 3.019e+06 0.00e+00 a 0 41 42 998 0 # HA K70 535 6.770 120.402 1.669 0 U 3.608e+07 0.00e+00 a 0 41 42 1142 0 # HB3 L71 536 6.770 120.402 1.413 0 U 1.215e+07 0.00e+00 a 0 41 42 1120 0 # HB2 L71 537 6.770 120.402 0.898 0 U 7.472e+06 0.00e+00 a 0 41 42 1168 0 # HD1 L71 538 6.770 120.402 3.953 0 U 3.182e+06 0.00e+00 a 0 41 42 997 0 # HA H69 539 6.770 120.402 8.157 0 U 7.494e+06 0.00e+00 a 0 41 42 91 0 # H K70 540 6.770 120.402 -0.506 0 U 1.741e+06 0.00e+00 a 0 41 42 1119 0 # HB2 K70 541 6.770 120.402 4.156 0 U 2.624e+06 0.00e+00 a 0 41 42 996 0 # HA T68 542 6.770 120.402 1.614 0 U 2.723e+07 0.00e+00 a 0 41 42 1398 0 # HG L71 543 6.770 120.402 0.964 0 U 1.182e+07 0.00e+00 a 0 41 42 1421 0 # HG3 K70 544 6.770 120.402 2.783 0 U 1.391e+06 0.00e+00 a 0 41 42 1118 0 # HB2 H69 545 6.770 120.402 7.722 0 U 1.573e+07 0.00e+00 a 0 41 42 67 0 # H L72 546 6.770 120.402 3.794 0 U 9.685e+06 0.00e+00 a 0 41 42 999 0 # HA L71 547 6.770 120.402 0.750 0 U 7.887e+06 0.00e+00 a 0 41 42 1175 0 # HD2 L71 548 6.770 120.402 4.209 0 U 2.648e+06 0.00e+00 a 0 41 42 1045 0 # HB T68 549 6.770 120.402 0.484 0 U 4.031e+06 0.00e+00 a 0 41 42 1419 0 # HG2 K70 550 8.489 124.145 2.073 0 U 4.087e+06 0.00e+00 a 0 89 90 1381 0 # HB3 C9 551 8.489 124.145 4.621 0 U 8.026e+06 0.00e+00 a 0 89 90 943 0 # HA D8 552 8.489 124.145 4.265 0 U 3.910e+07 0.00e+00 a 0 89 90 942 0 # HA E7 553 8.489 124.145 2.504 0 U 3.044e+07 0.00e+00 a 0 89 90 1012 0 # HB D8 554 8.489 124.145 7.939 0 U 3.474e+06 0.00e+00 a 0 89 90 93 0 # H C9 555 7.751 105.650 3.848 0 U 6.726e+06 0.00e+00 a 0 105 106 992 0 # HA K63 556 7.751 105.650 3.141 0 U 1.088e+06 0.00e+00 a 0 105 106 1368 0 # HB3 W66 557 7.751 105.650 1.880 0 U 1.584e+07 0.00e+00 a 0 105 106 1042 0 # HB K63 558 7.751 105.650 4.057 0 U 2.695e+07 0.00e+00 a 0 105 106 1093 0 # HA2 G64 559 7.751 105.650 8.782 0 U 1.423e+07 0.00e+00 a 0 105 106 63 0 # H K63 560 7.751 105.650 7.660 0 U 4.741e+07 0.00e+00 a 0 105 106 79 0 # H S65 561 7.751 105.650 4.209 0 U 2.983e+07 0.00e+00 a 0 105 106 1097 0 # HA3 G64 562 7.751 105.650 1.504 0 U 1.807e+06 0.00e+00 a 0 105 106 1415 0 # HG3 K63 563 7.479 112.745 2.384 0 U 3.756e+06 0.00e+00 a 0 1455 1456 1172 0 # HG3 Q52 564 7.479 112.745 6.860 0 U 1.579e+08 0.00e+00 a 0 1455 1456 1465 0 # HE22 Q52 565 7.479 112.745 2.353 0 U 6.110e+05 0.00e+00 a 0 1455 1456 1159 0 # HG2 Q52 566 7.741 125.761 7.221 0 U 2.323e+06 0.00e+00 a 0 19 20 1324 0 # HE3 W66 567 7.741 125.761 4.867 0 U 3.889e+06 0.00e+00 a 0 19 20 993 0 # HA S65 568 7.741 125.761 1.417 0 U 2.100e+06 0.00e+00 a 0 19 20 1044 0 # HB A67 569 7.741 125.761 3.141 0 U 3.230e+07 0.00e+00 a 0 19 20 1368 0 # HB3 W66 570 7.741 125.761 3.853 0 U 7.517e+06 0.00e+00 a 0 19 20 991 0 # HA F62 571 7.741 125.761 7.660 0 U 6.212e+07 0.00e+00 a 0 19 20 79 0 # H S65 572 7.741 125.761 2.783 0 U 1.925e+06 0.00e+00 a 0 19 20 1118 0 # HB2 H69 573 7.741 125.761 3.067 0 U 2.886e+07 0.00e+00 a 0 19 20 1377 0 # HB2 W66 574 7.741 125.761 7.256 0 U 9.071e+05 0.00e+00 a 0 19 20 1320 0 # HD1 W66 575 7.741 125.761 4.154 0 U 1.532e+07 0.00e+00 a 0 19 20 994 0 # HA W66 576 7.741 125.761 8.563 0 U 9.448e+06 0.00e+00 a 0 19 20 77 0 # H A67 577 9.738 118.841 7.627 0 U 1.803e+06 0.00e+00 a 0 35 36 87 0 # H I15 578 9.738 118.841 -0.605 0 U 3.187e+06 0.00e+00 a 0 35 36 1057 0 # HD2 L12 579 9.738 118.841 1.848 0 U 5.404e+06 0.00e+00 a 0 35 36 1110 0 # HB2 Q42 580 9.738 118.841 7.973 0 U 1.316e+06 0.00e+00 a 0 35 36 49 0 # H L41 581 9.738 118.841 1.919 0 U 5.955e+06 0.00e+00 a 0 35 36 1407 0 # HG3 Q42 582 9.738 118.841 0.355 0 U 2.489e+06 0.00e+00 a 0 35 36 1072 0 # HD1 L12 583 9.738 118.841 1.737 0 U 5.367e+06 0.00e+00 a 0 35 36 1406 0 # HG2 Q42 584 9.738 118.841 8.375 0 U 1.036e+07 0.00e+00 a 0 35 36 95 0 # H V13 585 9.738 118.841 5.479 0 U 5.406e+06 0.00e+00 a 0 35 36 974 0 # HA Q42 586 9.738 118.841 1.328 0 U 7.301e+06 0.00e+00 a 0 35 36 1065 0 # HG L41 587 9.738 118.841 4.608 0 U 2.526e+06 0.00e+00 a 0 35 36 947 0 # HA P14 588 9.738 118.841 0.755 0 U 7.255e+06 0.00e+00 a 0 35 36 1075 0 # HD1 L41 589 9.738 118.841 5.074 0 U 2.311e+07 0.00e+00 a 0 35 36 973 0 # HA L41 590 9.738 118.841 2.170 0 U 5.587e+06 0.00e+00 a 0 35 36 1133 0 # HB3 Q42 591 9.738 118.841 1.576 0 U 6.884e+06 0.00e+00 a 0 35 36 1262 0 # HB3 L41 592 9.738 118.841 4.007 0 U 2.614e+06 0.00e+00 a 0 35 36 946 0 # HA L12 593 9.738 118.841 1.440 0 U 1.063e+07 0.00e+00 a 0 35 36 1031 0 # HB2 L41 594 9.738 118.841 7.761 0 U 1.257e+06 0.00e+00 a 0 35 36 1449 0 # HE21 Q59 595 7.305 120.696 3.905 0 U 8.117e+06 0.00e+00 a 0 51 52 977 0 # HA C46 596 7.305 120.696 8.164 0 U 1.447e+06 0.00e+00 a 0 51 52 39 0 # H I51 597 7.305 120.696 7.083 0 U 1.236e+07 0.00e+00 a 0 51 52 71 0 # H I47 598 7.305 120.696 0.850 0 U 1.008e+07 0.00e+00 a 0 51 52 1200 0 # HG2 I47 599 7.305 120.696 1.966 0 U 4.186e+07 0.00e+00 a 0 51 52 1034 0 # HB K48 600 7.305 120.696 7.862 0 U 9.923e+06 0.00e+00 a 0 51 52 75 0 # H L49 601 7.305 120.696 8.713 0 U 1.384e+06 0.00e+00 a 0 51 52 5 0 # H C46 602 7.305 120.696 4.417 0 U 1.648e+06 0.00e+00 a 0 51 52 975 0 # HA P44 603 7.305 120.696 1.453 0 U 3.835e+06 0.00e+00 a 0 51 52 1066 0 # HG2 K48 604 7.305 120.696 7.849 0 U 9.923e+06 0.00e+00 a 0 51 52 101 0 # H G50 605 7.305 120.696 1.819 0 U 2.255e+07 0.00e+00 a 0 51 52 1033 0 # HB I47 606 7.305 120.696 0.757 0 U 5.984e+06 0.00e+00 a 0 51 52 1188 0 # HD1 I47 607 7.305 120.696 1.568 0 U 8.810e+06 0.00e+00 a 0 51 52 1076 0 # HG3 K48 608 7.305 120.696 4.022 0 U 1.446e+07 0.00e+00 a 0 51 52 979 0 # HA K48 609 7.305 120.696 3.753 0 U 4.812e+06 0.00e+00 a 0 51 52 978 0 # HA I47 610 7.305 120.696 2.998 0 U 9.160e+05 0.00e+00 a 0 51 52 1085 0 # HE K48 611 7.305 120.696 1.673 0 U 7.736e+06 0.00e+00 a 0 51 52 1414 0 # HD K48 612 7.722 118.750 6.598 0 U 1.429e+06 0.00e+00 a 0 67 68 1308 0 # HD2 H73 613 7.722 118.750 7.156 0 U 2.599e+06 0.00e+00 a 0 67 68 55 0 # H K74 614 7.722 118.750 7.360 0 U 8.624e+05 0.00e+00 a 0 67 68 103 0 # H T68 615 7.722 118.750 2.417 0 U 2.675e+06 0.00e+00 a 0 67 68 998 0 # HA K70 616 7.722 118.750 8.157 0 U 1.969e+06 0.00e+00 a 0 67 68 91 0 # H K70 617 7.722 118.750 1.298 0 U 2.123e+07 0.00e+00 a 0 67 68 1264 0 # HB2 L72 618 7.722 118.750 0.964 0 U 3.402e+06 0.00e+00 a 0 67 68 1421 0 # HG3 K70 619 7.722 118.750 6.770 0 U 1.805e+07 0.00e+00 a 0 67 68 41 0 # H L71 620 7.722 118.750 1.623 0 U 2.675e+07 0.00e+00 a 0 67 68 1070 0 # HG L72 621 7.722 118.750 3.952 0 U 1.546e+07 0.00e+00 a 0 67 68 1000 0 # HA L72 622 7.722 118.750 0.791 0 U 5.636e+06 0.00e+00 a 0 67 68 1278 0 # HD2 L72 623 7.722 118.750 1.361 0 U 3.166e+07 0.00e+00 a 0 67 68 1046 0 # HB3 L72 624 7.722 118.750 6.887 0 U 2.006e+07 0.00e+00 a 0 67 68 83 0 # H H73 625 7.722 118.750 3.794 0 U 5.801e+06 0.00e+00 a 0 67 68 999 0 # HA L71 626 7.722 118.750 0.792 0 U 5.636e+06 0.00e+00 a 0 67 68 1079 0 # HD1 L72 627 6.887 115.123 6.598 0 U 8.476e+06 0.00e+00 a 0 83 84 1308 0 # HD2 H73 628 6.887 115.123 7.156 0 U 2.589e+07 0.00e+00 a 0 83 84 55 0 # H K74 629 6.887 115.123 3.121 0 U 1.205e+07 0.00e+00 a 0 83 84 1121 0 # HB2 H73 630 6.887 115.123 2.417 0 U 5.653e+06 0.00e+00 a 0 83 84 998 0 # HA K70 631 6.887 115.123 1.005 0 U 4.456e+06 0.00e+00 a 0 83 84 1141 0 # HB3 K70 632 6.887 115.123 4.301 0 U 1.212e+07 0.00e+00 a 0 83 84 1001 0 # HA H73 633 6.887 115.123 1.623 0 U 4.375e+06 0.00e+00 a 0 83 84 1070 0 # HG L72 634 6.887 115.123 3.952 0 U 7.327e+06 0.00e+00 a 0 83 84 1000 0 # HA L72 635 6.887 115.123 7.722 0 U 2.541e+07 0.00e+00 a 0 83 84 67 0 # H L72 636 6.887 115.123 1.361 0 U 1.442e+07 0.00e+00 a 0 83 84 1046 0 # HB3 L72 637 6.887 115.123 3.794 0 U 3.856e+06 0.00e+00 a 0 83 84 999 0 # HA L71 638 6.887 115.123 3.373 0 U 2.078e+07 0.00e+00 a 0 83 84 1143 0 # HB3 H73 639 6.887 115.123 0.750 0 U 5.254e+06 0.00e+00 a 0 83 84 1175 0 # HD2 L71 640 7.761 113.260 8.155 0 U 8.728e+05 0.00e+00 a 0 1449 1450 491 0 # H E11 641 7.761 113.260 2.613 0 U 3.573e+06 0.00e+00 a 0 1449 1450 1068 0 # HG Q59 642 7.761 113.260 2.274 0 U 8.887e+06 0.00e+00 a 0 1449 1450 1137 0 # HB3 Q59 643 7.761 113.260 8.874 0 U 5.841e+06 0.00e+00 a 0 1449 1450 107 0 # H L12 644 7.761 113.260 6.890 0 U 5.211e+07 0.00e+00 a 0 1449 1450 1461 0 # HE22 Q59 645 7.761 113.260 1.579 0 U 1.647e+06 0.00e+00 a 0 1449 1450 1125 0 # HB3 L12 646 7.761 113.260 1.976 0 U 2.134e+06 0.00e+00 a 0 1449 1450 1114 0 # HB2 Q59 647 7.761 113.260 1.887 0 U 2.707e+06 0.00e+00 a 0 1449 1450 1013 0 # HB E11 648 7.761 113.260 4.201 0 U 1.155e+07 0.00e+00 a 0 1449 1450 1040 0 # HB3 S58 650 7.761 113.260 1.320 0 U 2.355e+06 0.00e+00 a 0 1449 1450 1101 0 # HB2 L12 651 7.747 124.671 -0.605 0 U 4.210e+06 0.00e+00 a 0 13 14 1057 0 # HD2 L12 652 7.747 124.671 1.848 0 U 7.733e+06 0.00e+00 a 0 13 14 1110 0 # HB2 Q42 653 7.747 124.671 1.919 0 U 8.457e+06 0.00e+00 a 0 13 14 1407 0 # HG3 Q42 654 7.747 124.671 2.853 0 U 2.028e+07 0.00e+00 a 0 13 14 1385 0 # HB2 C43 655 7.747 124.671 8.713 0 U 2.154e+06 0.00e+00 a 0 13 14 5 0 # H C46 656 7.747 124.671 1.737 0 U 3.858e+06 0.00e+00 a 0 13 14 1406 0 # HG2 Q42 657 7.747 124.671 0.812 0 U 1.601e+06 0.00e+00 a 0 13 14 1270 0 # HG2 V13 658 7.747 124.671 4.335 0 U 1.020e+07 0.00e+00 a 0 13 14 1384 0 # HA C43 659 7.747 124.671 5.479 0 U 2.921e+07 0.00e+00 a 0 13 14 974 0 # HA Q42 660 7.747 124.671 3.226 0 U 1.752e+07 0.00e+00 a 0 13 14 1383 0 # HB3 C43 661 7.747 124.671 2.170 0 U 4.847e+06 0.00e+00 a 0 13 14 1133 0 # HB3 Q42 662 7.517 123.253 7.676 0 U 1.739e+07 0.00e+00 a 0 29 30 65 0 # H F62 663 7.517 123.253 2.797 0 U 2.049e+07 0.00e+00 a 0 29 30 1115 0 # HB2 C61 664 7.517 123.253 5.116 0 U 7.085e+06 0.00e+00 a 0 29 30 1514 0 # HG S58 665 7.517 123.253 9.061 0 U 9.227e+06 0.00e+00 a 0 29 30 59 0 # H E60 666 7.517 123.253 2.410 0 U 2.094e+06 0.00e+00 a 0 29 30 1173 0 # HG3 E60 667 7.517 123.253 7.316 0 U 3.724e+06 0.00e+00 a 0 29 30 85 0 # H S58 668 7.517 123.253 8.782 0 U 1.835e+06 0.00e+00 a 0 29 30 63 0 # H K63 669 7.517 123.253 2.021 0 U 8.620e+06 0.00e+00 a 0 29 30 1367 0 # HB3 E60 670 7.517 123.253 4.201 0 U 3.455e+06 0.00e+00 a 0 29 30 1040 0 # HB3 S58 671 7.517 123.253 4.058 0 U 1.245e+07 0.00e+00 a 0 29 30 990 0 # HA C61 672 7.517 123.253 2.277 0 U 2.748e+06 0.00e+00 a 0 29 30 1160 0 # HG2 E60 673 7.517 123.253 3.950 0 U 5.023e+06 0.00e+00 a 0 29 30 989 0 # HA E60 674 7.517 123.253 1.928 0 U 6.269e+06 0.00e+00 a 0 29 30 1376 0 # HB2 E60 675 7.517 123.253 3.192 0 U 1.888e+07 0.00e+00 a 0 29 30 1138 0 # HB3 C61 676 8.872 121.824 8.537 0 U 3.872e+06 0.00e+00 a 0 45 46 33 0 # H E38 677 8.872 121.824 3.953 0 U 4.003e+07 0.00e+00 a 0 45 46 1028 0 # HB S37 678 8.872 121.824 8.266 0 U 2.371e+06 0.00e+00 a 0 45 46 3 0 # H C30 679 8.872 121.824 0.922 0 U 2.624e+06 0.00e+00 a 0 45 46 1162 0 # HG1 V29 680 8.872 121.824 3.891 0 U 2.907e+07 0.00e+00 a 0 45 46 1027 0 # HB S36 681 8.872 121.824 2.467 0 U 1.832e+06 0.00e+00 a 0 45 46 1108 0 # HB2 C35 682 8.872 121.824 4.387 0 U 1.508e+07 0.00e+00 a 0 45 46 969 0 # HA S37 683 8.872 121.824 2.985 0 U 6.142e+06 0.00e+00 a 0 45 46 1129 0 # HB3 C30 684 8.872 121.824 2.680 0 U 5.596e+06 0.00e+00 a 0 45 46 1106 0 # HB2 C30 685 8.872 121.824 4.556 0 U 7.161e+06 0.00e+00 a 0 45 46 967 0 # HA C35 686 8.069 119.334 2.069 0 U 4.846e+06 0.00e+00 a 0 61 62 1132 0 # HB3 K40 687 8.069 119.334 0.853 0 U 7.121e+06 0.00e+00 a 0 61 62 1030 0 # HB A39 688 8.069 119.334 4.003 0 U 2.772e+07 0.00e+00 a 0 61 62 971 0 # HA A39 689 8.069 119.334 8.621 0 U 1.381e+06 0.00e+00 a 0 61 62 81 0 # H F56 690 8.069 119.334 3.094 0 U 1.587e+06 0.00e+00 a 0 61 62 1136 0 # HB3 C57 691 8.069 119.334 1.616 0 U 7.090e+06 0.00e+00 a 0 61 62 1109 0 # HB2 K40 692 8.069 119.334 8.433 0 U 1.983e+06 0.00e+00 a 0 61 62 15 0 # H A39 693 8.069 119.334 2.644 0 U 1.982e+06 0.00e+00 a 0 61 62 1113 0 # HB2 C57 694 8.069 119.334 0.395 0 U 1.661e+06 0.00e+00 a 0 61 62 1166 0 # HD1 I15 695 8.069 119.334 1.355 0 U 9.320e+06 0.00e+00 a 0 61 62 1403 0 # HG K40 696 8.069 119.334 0.755 0 U 2.155e+06 0.00e+00 a 0 61 62 1075 0 # HD1 L41 697 8.069 119.334 1.635 0 U 7.090e+06 0.00e+00 a 0 61 62 1074 0 # HD K40 698 8.069 119.334 4.516 0 U 6.736e+06 0.00e+00 a 0 61 62 972 0 # HA K40 699 8.563 116.793 4.841 0 U 2.821e+06 0.00e+00 a 0 77 78 1516 0 # HG1 T68 700 8.563 116.793 8.866 0 U 2.820e+06 0.00e+00 a 0 77 78 23 0 # H H69 701 8.563 116.793 7.360 0 U 1.653e+07 0.00e+00 a 0 77 78 103 0 # H T68 702 8.563 116.793 3.121 0 U 1.320e+07 0.00e+00 a 0 77 78 1121 0 # HB2 H73 703 8.563 116.793 1.417 0 U 6.010e+07 0.00e+00 a 0 77 78 1044 0 # HB A67 704 8.563 116.793 3.848 0 U 1.393e+06 0.00e+00 a 0 77 78 992 0 # HA K63 705 8.563 116.793 1.005 0 U 2.367e+06 0.00e+00 a 0 77 78 1141 0 # HB3 K70 706 8.563 116.793 4.156 0 U 6.076e+06 0.00e+00 a 0 77 78 996 0 # HA T68 707 8.563 116.793 7.660 0 U 4.302e+06 0.00e+00 a 0 77 78 79 0 # H S65 708 8.563 116.793 2.783 0 U 2.014e+06 0.00e+00 a 0 77 78 1118 0 # HB2 H69 709 8.563 116.793 3.555 0 U 2.096e+07 0.00e+00 a 0 77 78 995 0 # HA A67 710 8.563 116.793 7.741 0 U 9.772e+06 0.00e+00 a 0 77 78 19 0 # H W66 711 7.939 123.370 3.443 0 U 1.403e+06 0.00e+00 a 0 93 94 1266 0 # HD3 P10 712 7.939 123.370 2.073 0 U 2.114e+07 0.00e+00 a 0 93 94 1381 0 # HB3 C9 713 7.939 123.370 1.206 0 U 1.879e+07 0.00e+00 a 0 93 94 1380 0 # HB2 C9 714 7.939 123.370 10.049 0 U 2.463e+06 0.00e+00 a 0 93 94 1334 0 # HE1 W66 715 7.939 123.370 4.621 0 U 3.062e+07 0.00e+00 a 0 93 94 943 0 # HA D8 716 7.939 123.370 2.504 0 U 1.197e+07 0.00e+00 a 0 93 94 1012 0 # HB D8 717 7.939 123.370 8.489 0 U 4.453e+06 0.00e+00 a 0 93 94 89 0 # H D8 718 7.939 123.370 7.256 0 U 1.625e+06 0.00e+00 a 0 93 94 1320 0 # HD1 W66 719 7.939 123.370 3.088 0 U 1.674e+06 0.00e+00 a 0 93 94 1267 0 # HD2 P10 720 7.939 123.370 2.270 0 U 1.085e+07 0.00e+00 a 0 93 94 1382 0 # HA C9 721 6.956 111.644 0.736 0 U 5.246e+06 0.00e+00 a 0 1463 1458 1297 0 # HG12 I15 722 6.956 111.644 1.848 0 U 4.335e+06 0.00e+00 a 0 1463 1458 1110 0 # HB2 Q42 723 6.956 111.644 1.008 0 U 1.759e+06 0.00e+00 a 0 1463 1458 1272 0 # HG1 V13 724 6.956 111.644 1.919 0 U 3.851e+06 0.00e+00 a 0 1463 1458 1407 0 # HG3 Q42 725 6.956 111.644 7.289 0 U 6.588e+07 0.00e+00 a 0 1463 1458 1457 0 # HE21 Q42 726 6.956 111.644 8.509 0 U 9.487e+05 0.00e+00 a 0 1463 1458 53 0 # H E16 727 6.956 111.644 3.949 0 U 3.630e+06 0.00e+00 a 0 1463 1458 948 0 # HA I15 728 6.956 111.644 1.737 0 U 2.451e+06 0.00e+00 a 0 1463 1458 1406 0 # HG2 Q42 729 6.956 111.644 0.812 0 U 4.062e+06 0.00e+00 a 0 1463 1458 1270 0 # HG2 V13 730 6.956 111.644 6.698 0 U 2.030e+06 0.00e+00 a 0 1463 1458 1316 0 # HE Y55 731 6.956 111.644 2.170 0 U 4.387e+06 0.00e+00 a 0 1463 1458 1133 0 # HB3 Q42 732 8.155 117.949 8.155 0 U 2.307e+08 0.00e+00 a 0 491 492 491 0 # H E11 733 8.866 124.699 8.866 0 U 1.922e+08 0.00e+00 a 0 23 24 23 0 # H H69 734 8.164 122.384 8.164 0 U 1.562e+08 0.00e+00 a 0 39 40 39 0 # H I51 735 7.156 118.771 7.156 0 U 3.080e+08 0.00e+00 a 0 55 56 55 0 # H K74 736 7.083 116.526 7.083 0 U 1.424e+08 0.00e+00 a 0 71 72 71 0 # H I47 737 7.627 121.215 7.627 0 U 1.515e+08 0.00e+00 a 0 87 88 87 0 # H I15 738 7.360 107.206 7.360 0 U 2.197e+08 0.00e+00 a 0 103 104 103 0 # H T68 739 8.888 115.588 8.888 0 U 6.007e+06 0.00e+00 a 0 119 120 119 0 # H G34 740 8.670 125.879 8.670 0 U 5.358e+07 0.00e+00 a 0 17 18 17 0 # H R28 741 8.537 123.145 8.537 0 U 2.743e+08 0.00e+00 a 0 33 34 33 0 # H E38 742 7.973 120.966 7.973 0 U 1.618e+08 0.00e+00 a 0 49 50 49 0 # H L41 743 7.676 118.577 7.676 0 U 7.990e+07 0.00e+00 a 0 65 66 65 0 # H F62 744 8.621 116.797 8.621 0 U 1.481e+08 0.00e+00 a 0 81 82 81 0 # H F56 745 8.242 126.752 8.242 0 U 8.965e+07 0.00e+00 a 0 11 12 11 0 # H E31 746 7.741 124.245 7.741 0 U 2.794e+08 0.00e+00 a 0 27 28 27 0 # H C35 747 9.061 117.457 9.061 0 U 1.997e+08 0.00e+00 a 0 59 60 59 0 # H E60 748 7.862 116.694 7.862 0 U 1.597e+08 0.00e+00 a 0 75 76 75 0 # H L49 749 8.157 112.863 8.157 0 U 1.811e+08 0.00e+00 a 0 91 92 91 0 # H K70 750 8.874 124.224 8.874 0 U 1.795e+08 0.00e+00 a 0 107 108 107 0 # H L12 751 8.115 109.037 8.115 0 U 8.916e+07 0.00e+00 a 0 123 124 123 0 # H G53 752 7.289 111.644 7.289 0 U 7.386e+07 0.00e+00 a 0 1457 1458 1457 0 # HE21 Q42 753 6.890 113.260 6.890 0 U 9.558e+07 0.00e+00 a 0 1461 1450 1461 0 # HE22 Q59 754 10.049 128.287 10.049 0 U 1.910e+08 0.00e+00 a 0 1334 1335 1334 0 # HE1 W66 755 9.143 132.015 9.143 0 U 1.861e+08 0.00e+00 a 0 1 2 1 0 # H D33 756 8.266 128.072 8.266 0 U 1.307e+08 0.00e+00 a 0 3 4 3 0 # H C30 757 8.193 124.126 8.193 0 U 1.353e+08 0.00e+00 a 0 505 506 505 0 # H T45 758 8.713 126.208 8.713 0 U 1.725e+08 0.00e+00 a 0 5 6 5 0 # H C46 759 8.280 124.358 8.280 0 U 2.653e+08 0.00e+00 a 0 21 22 21 0 # H E26 760 8.341 123.607 8.341 0 U 5.246e+07 0.00e+00 a 0 37 38 37 0 # H V29 761 8.509 127.200 8.509 0 U 1.314e+08 0.00e+00 a 0 53 54 53 0 # H E16 762 8.678 119.096 8.678 0 U 1.771e+08 0.00e+00 a 0 69 70 69 0 # H S54 763 7.316 113.301 7.316 0 U 2.718e+08 0.00e+00 a 0 85 86 85 0 # H S58 764 7.849 109.008 7.849 0 U 1.915e+08 0.00e+00 a 0 101 102 101 0 # H G50 765 8.433 126.947 8.433 0 U 1.839e+08 0.00e+00 a 0 15 16 15 0 # H A39 766 10.364 121.885 10.364 0 U 1.102e+08 0.00e+00 a 0 31 32 31 0 # H C57 767 8.782 118.547 8.782 0 U 2.093e+08 0.00e+00 a 0 63 64 63 0 # H K63 768 7.660 116.668 7.660 0 U 2.258e+08 0.00e+00 a 0 79 80 79 0 # H S65 769 8.375 112.322 8.375 0 U 1.147e+08 0.00e+00 a 0 95 96 95 0 # H V13 770 8.756 122.255 8.756 0 U 1.113e+08 0.00e+00 a 0 111 112 111 0 # H S36 771 6.860 112.745 6.860 0 U 4.862e+08 0.00e+00 a 0 1465 1456 1465 0 # HE22 Q52 772 9.315 123.690 9.315 0 U 5.528e+07 0.00e+00 a 0 181 182 181 0 # H Q59 773 7.175 123.034 7.175 0 U 1.446e+08 0.00e+00 a 0 1510 44 1510 0 # H Y55 774 8.636 126.771 8.636 0 U 1.585e+08 0.00e+00 a 0 9 10 9 0 # H Q52 775 9.197 124.893 9.197 0 U 2.116e+08 0.00e+00 a 0 25 26 25 0 # H T32 776 6.770 120.402 6.770 0 U 1.513e+08 0.00e+00 a 0 41 42 41 0 # H L71 777 8.489 124.145 8.489 0 U 1.926e+08 0.00e+00 a 0 89 90 89 0 # H D8 778 7.751 105.650 7.751 0 U 2.068e+08 0.00e+00 a 0 105 106 105 0 # H G64 779 7.479 112.745 7.479 0 U 3.454e+08 0.00e+00 a 0 1455 1456 1455 0 # HE21 Q52 780 7.741 125.761 7.741 0 U 1.398e+08 0.00e+00 a 0 19 20 19 0 # H W66 781 9.738 118.841 9.738 0 U 1.313e+08 0.00e+00 a 0 35 36 35 0 # H Q42 782 7.305 120.696 7.305 0 U 2.234e+08 0.00e+00 a 0 51 52 51 0 # H K48 783 7.722 118.750 7.722 0 U 2.034e+08 0.00e+00 a 0 67 68 67 0 # H L72 784 6.887 115.123 6.887 0 U 2.480e+08 0.00e+00 a 0 83 84 83 0 # H H73 785 7.761 113.260 7.761 0 U 6.627e+07 0.00e+00 a 0 1449 1450 1449 0 # HE21 Q59 786 7.747 124.671 7.747 0 U 1.751e+08 0.00e+00 a 0 13 14 13 0 # H C43 787 7.517 123.253 7.517 0 U 1.531e+08 0.00e+00 a 0 29 30 29 0 # H C61 788 8.872 121.824 8.872 0 U 2.666e+08 0.00e+00 a 0 45 46 45 0 # H S37 789 8.069 119.334 8.069 0 U 1.360e+08 0.00e+00 a 0 61 62 61 0 # H K40 790 8.563 116.793 8.563 0 U 3.006e+08 0.00e+00 a 0 77 78 77 0 # H A67 791 7.939 123.370 7.939 0 U 1.433e+08 0.00e+00 a 0 93 94 93 0 # H C9 792 6.956 111.644 6.956 0 U 9.738e+07 0.00e+00 a 0 1463 1458 1463 0 # HE22 Q42 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 8196.721 Hz . . . 4.771 . . 30956 1 2 . . N 15 N . . 1701.964 Hz . . . 119.075 . . 30956 1 3 . . H 1 H . . 7797.437 Hz . . . 4.771 . . 30956 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30956 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 21 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 H1 #INAME 2 C13 #INAME 3 H1 #SPECTRUM C13NOESY HC C H 1 2.563 40.827 0.336 0 U 1.103e+07 0.00e+00 a 0 1116 362 1072 0 # HD1 L12 2 2.563 40.827 3.816 0 U 1.338e+07 0.00e+00 a 0 1116 362 991 0 # HA F62 3 2.563 40.827 2.835 0 U 2.882e+07 0.00e+00 a 0 1116 362 1139 0 # HB3 F62 4 2.069 34.938 1.582 0 U 7.890e+07 0.00e+00 a 0 1132 359 1109 0 # HB2 K40 5 2.069 34.938 1.316 0 U 2.898e+07 0.00e+00 a 0 1132 359 1403 0 # HG K40 6 2.069 34.938 1.635 0 U 8.045e+07 0.00e+00 a 0 1132 359 1074 0 # HD K40 7 2.069 34.938 4.481 0 U 1.817e+07 0.00e+00 a 0 1132 359 972 0 # HA K40 8 0.955 27.931 0.850 0 U 1.717e+07 0.00e+00 a 0 1164 1259 1200 0 # HG2 I47 9 0.955 27.931 1.723 0 U 4.247e+07 0.00e+00 a 0 1164 1259 1295 0 # HG13 I47 10 0.955 27.931 1.819 0 U 2.275e+07 0.00e+00 a 0 1164 1259 1033 0 # HB I47 11 0.955 27.931 0.730 0 U 3.647e+07 0.00e+00 a 0 1164 1259 1188 0 # HD1 I47 12 0.955 27.931 3.728 0 U 1.003e+07 0.00e+00 a 0 1164 1259 978 0 # HA I47 13 2.270 26.334 1.908 0 U 2.226e+07 0.00e+00 a 0 1291 1205 1100 0 # HB2 P10 14 2.270 26.334 3.406 0 U 9.204e+06 0.00e+00 a 0 1291 1205 1266 0 # HD3 P10 15 2.270 26.334 4.497 0 U 3.446e+06 0.00e+00 a 0 1291 1205 944 0 # HA P10 16 2.270 26.334 1.914 0 U 2.226e+07 0.00e+00 a 0 1291 1205 1289 0 # HG2 P10 17 2.270 26.334 4.084 0 U 6.443e+06 0.00e+00 a 0 1291 1205 1352 0 # HD3 P44 18 2.270 26.334 2.167 0 U 2.123e+07 0.00e+00 a 0 1291 1205 1124 0 # HB3 P10 19 2.270 26.334 3.056 0 U 7.619e+06 0.00e+00 a 0 1291 1205 1267 0 # HD2 P10 20 4.406 54.682 1.396 0 U 5.758e+07 0.00e+00 a 0 961 317 1105 0 # HB2 R28 21 4.406 54.682 1.102 0 U 2.990e+07 0.00e+00 a 0 961 317 1153 0 # HG2 R28 22 4.406 54.682 1.258 0 U 4.038e+07 0.00e+00 a 0 961 317 1169 0 # HG3 R28 23 4.406 54.682 2.357 0 U 2.178e+07 0.00e+00 a 0 961 317 1073 0 # HD2 R28 24 4.406 54.682 2.458 0 U 1.747e+07 0.00e+00 a 0 961 317 1288 0 # HD3 R28 25 4.406 54.682 1.578 0 U 3.928e+07 0.00e+00 a 0 961 317 1128 0 # HB3 R28 26 4.406 54.682 0.822 0 U 1.952e+07 0.00e+00 a 0 961 317 1149 0 # HG2 V29 27 3.890 67.424 6.576 0 U 5.680e+06 0.00e+00 a 0 977 304 1308 0 # HD2 H73 28 3.890 67.424 3.122 0 U 3.592e+07 0.00e+00 a 0 977 304 1364 0 # HB3 C46 29 3.890 67.424 1.690 0 U 3.383e+07 0.00e+00 a 0 977 304 1035 0 # HB2 L49 30 3.890 67.424 1.728 0 U 8.201e+07 0.00e+00 a 0 977 304 1067 0 # HG L49 31 3.890 67.424 1.723 0 U 5.770e+07 0.00e+00 a 0 977 304 1295 0 # HG13 I47 32 3.890 67.424 0.718 0 U 2.759e+07 0.00e+00 a 0 977 304 1077 0 # HD1 L49 33 3.890 67.424 1.000 0 U 3.520e+07 0.00e+00 a 0 977 304 1167 0 # HD1 I51 34 3.890 67.424 1.819 0 U 3.394e+07 0.00e+00 a 0 977 304 1033 0 # HB I47 35 3.890 67.424 4.261 0 U 8.736e+06 0.00e+00 a 0 977 304 1001 0 # HA H73 36 3.890 67.424 1.557 0 U 1.788e+07 0.00e+00 a 0 977 304 1263 0 # HB3 L49 37 3.890 67.424 2.997 0 U 2.241e+07 0.00e+00 a 0 977 304 1123 0 # HB2 C46 38 4.817 58.368 1.377 0 U 4.913e+06 0.00e+00 a 0 993 377 1044 0 # HB A67 39 4.817 58.368 4.218 0 U 8.506e+07 0.00e+00 a 0 993 377 1147 0 # HB3 S65 40 4.817 58.368 1.197 0 U 1.206e+07 0.00e+00 a 0 993 377 1155 0 # HG2 T32 41 4.817 58.368 4.077 0 U 5.807e+07 0.00e+00 a 0 993 377 1117 0 # HB2 S65 42 0.853 20.833 2.556 0 U 5.123e+07 0.00e+00 a 0 1030 314 1375 0 # HB2 Y55 43 0.853 20.833 1.396 0 U 2.758e+07 0.00e+00 a 0 1030 314 1105 0 # HB2 R28 44 0.853 20.833 2.357 0 U 1.062e+07 0.00e+00 a 0 1030 314 1073 0 # HD2 R28 45 0.853 20.833 4.003 0 U 7.612e+07 0.00e+00 a 0 1030 314 971 0 # HA A39 46 0.853 20.833 4.712 0 U 1.581e+07 0.00e+00 a 0 1030 314 986 0 # HA C57 47 0.853 20.833 2.458 0 U 1.158e+07 0.00e+00 a 0 1030 314 1288 0 # HD3 R28 48 0.853 20.833 5.970 0 U 1.341e+07 0.00e+00 a 0 1030 314 985 0 # HA F56 49 0.853 20.833 0.371 0 U 1.608e+07 0.00e+00 a 0 1030 314 1166 0 # HD1 I15 50 0.853 20.833 3.579 0 U 4.681e+07 0.00e+00 a 0 1030 314 963 0 # HA C30 51 0.853 20.833 5.314 0 U 1.001e+07 0.00e+00 a 0 1030 314 984 0 # HA Y55 52 0.853 20.833 2.642 0 U 3.321e+07 0.00e+00 a 0 1030 314 1366 0 # HB3 Y55 53 0.853 20.833 1.578 0 U 2.447e+07 0.00e+00 a 0 1030 314 1128 0 # HB3 R28 54 0.853 20.833 6.910 0 U 1.006e+07 0.00e+00 a 0 1030 314 1304 0 # HD Y55 55 0.853 20.833 2.638 0 U 3.114e+07 0.00e+00 a 0 1030 314 1106 0 # HB2 C30 56 2.556 39.379 6.930 0 U 5.950e+06 0.00e+00 a 0 1375 341 1469 0 # HD-1 F56 57 2.556 39.379 0.853 0 U 1.657e+07 0.00e+00 a 0 1375 341 1030 0 # HB A39 58 2.556 39.379 0.371 0 U 3.840e+06 0.00e+00 a 0 1375 341 1166 0 # HD1 I15 59 2.556 39.379 5.314 0 U 9.242e+06 0.00e+00 a 0 1375 341 984 0 # HA Y55 60 2.556 39.379 2.642 0 U 6.157e+07 0.00e+00 a 0 1375 341 1366 0 # HB3 Y55 61 2.556 39.379 6.910 0 U 5.950e+06 0.00e+00 a 0 1375 341 1304 0 # HD Y55 62 2.580 32.335 2.252 0 U 7.039e+07 0.00e+00 a 0 1068 1224 1137 0 # HB3 Q59 63 2.580 32.335 -0.624 0 U 5.101e+05 0.00e+00 a 0 1068 1224 1057 0 # HD2 L12 64 2.580 32.335 1.936 0 U 5.756e+07 0.00e+00 a 0 1068 1224 1114 0 # HB2 Q59 65 2.580 32.335 3.819 0 U 6.263e+06 0.00e+00 a 0 1068 1224 988 0 # HA Q59 66 2.897 41.954 1.316 0 U 7.984e+07 0.00e+00 a 0 1084 1244 1403 0 # HG K40 67 2.897 41.954 1.635 0 U 1.620e+06 0.00e+00 a 0 1084 1244 1074 0 # HD K40 68 1.908 32.729 2.270 0 U 2.953e+07 0.00e+00 a 0 1100 602 1291 0 # HG3 P10 69 1.908 32.729 3.406 0 U 1.853e+06 0.00e+00 a 0 1100 602 1266 0 # HD3 P10 70 1.908 32.729 4.497 0 U 1.302e+07 0.00e+00 a 0 1100 602 944 0 # HA P10 71 1.908 32.729 1.914 0 U 1.052e+08 0.00e+00 a 0 1100 602 1289 0 # HG2 P10 72 1.908 32.729 2.167 0 U 5.268e+07 0.00e+00 a 0 1100 602 1124 0 # HB3 P10 73 1.908 32.729 2.513 0 U 8.115e+06 0.00e+00 a 0 1100 602 1293 0 # HG3 P44 74 1.908 32.729 3.056 0 U 2.168e+06 0.00e+00 a 0 1100 602 1267 0 # HD2 P10 75 2.079 27.016 4.084 0 U 6.728e+06 0.00e+00 a 0 1448 1220 1352 0 # HD3 P44 76 2.079 27.016 2.270 0 U 1.650e+07 0.00e+00 a 0 1448 1220 1134 0 # HB3 P44 77 2.079 27.016 2.513 0 U 1.881e+07 0.00e+00 a 0 1448 1220 1293 0 # HG3 P44 78 2.079 27.016 2.112 0 U 3.734e+07 0.00e+00 a 0 1448 1220 1111 0 # HB2 P44 79 1.396 31.172 4.406 0 U 1.442e+07 0.00e+00 a 0 1105 316 961 0 # HA R28 80 1.396 31.172 0.853 0 U 7.653e+06 0.00e+00 a 0 1105 316 1030 0 # HB A39 81 1.396 31.172 1.102 0 U 1.728e+07 0.00e+00 a 0 1105 316 1153 0 # HG2 R28 82 1.396 31.172 1.258 0 U 2.140e+07 0.00e+00 a 0 1105 316 1169 0 # HG3 R28 83 1.396 31.172 2.357 0 U 6.387e+06 0.00e+00 a 0 1105 316 1073 0 # HD2 R28 84 1.396 31.172 2.458 0 U 7.718e+06 0.00e+00 a 0 1105 316 1288 0 # HD3 R28 85 1.396 31.172 1.578 0 U 7.605e+07 0.00e+00 a 0 1105 316 1128 0 # HB3 R28 86 3.121 28.232 2.381 0 U 1.380e+06 0.00e+00 a 0 1121 381 998 0 # HA K70 87 3.121 28.232 3.122 0 U 8.166e+07 0.00e+00 a 0 1121 381 1364 0 # HB3 C46 88 3.121 28.232 0.718 0 U 8.153e+06 0.00e+00 a 0 1121 381 1077 0 # HD1 L49 89 3.121 28.232 4.261 0 U 1.542e+07 0.00e+00 a 0 1121 381 1001 0 # HA H73 90 2.252 27.615 2.580 0 U 2.330e+07 0.00e+00 a 0 1137 195 1068 0 # HG Q59 91 2.252 27.615 1.936 0 U 4.194e+07 0.00e+00 a 0 1137 195 1114 0 # HB2 Q59 92 2.252 27.615 3.819 0 U 9.070e+06 0.00e+00 a 0 1137 195 988 0 # HA Q59 93 1.102 26.841 4.406 0 U 8.300e+06 0.00e+00 a 0 1153 1215 961 0 # HA R28 94 1.102 26.841 1.396 0 U 2.575e+07 0.00e+00 a 0 1153 1215 1105 0 # HB2 R28 95 1.102 26.841 1.258 0 U 1.147e+08 0.00e+00 a 0 1153 1215 1169 0 # HG3 R28 96 1.102 26.841 2.357 0 U 9.978e+06 0.00e+00 a 0 1153 1215 1073 0 # HD2 R28 97 1.102 26.841 2.458 0 U 1.049e+07 0.00e+00 a 0 1153 1215 1288 0 # HD3 R28 98 1.102 26.841 1.578 0 U 2.339e+07 0.00e+00 a 0 1153 1215 1128 0 # HB3 R28 99 1.258 26.841 4.406 0 U 1.038e+07 0.00e+00 a 0 1169 1215 961 0 # HA R28 100 1.258 26.841 1.396 0 U 3.969e+07 0.00e+00 a 0 1169 1215 1105 0 # HB2 R28 101 1.258 26.841 1.102 0 U 1.222e+08 0.00e+00 a 0 1169 1215 1153 0 # HG2 R28 102 1.258 26.841 2.357 0 U 1.133e+07 0.00e+00 a 0 1169 1215 1073 0 # HD2 R28 103 1.258 26.841 2.458 0 U 1.115e+07 0.00e+00 a 0 1169 1215 1288 0 # HD3 R28 104 1.258 26.841 1.578 0 U 4.453e+07 0.00e+00 a 0 1169 1215 1128 0 # HB3 R28 105 3.406 51.304 2.270 0 U 1.558e+07 0.00e+00 a 0 1266 1265 1291 0 # HG3 P10 106 3.406 51.304 1.908 0 U 4.958e+06 0.00e+00 a 0 1266 1265 1100 0 # HB2 P10 107 3.406 51.304 4.497 0 U 1.653e+06 0.00e+00 a 0 1266 1265 944 0 # HA P10 108 3.406 51.304 1.914 0 U 4.958e+06 0.00e+00 a 0 1266 1265 1289 0 # HG2 P10 109 3.406 51.304 1.173 0 U 1.712e+06 0.00e+00 a 0 1266 1265 1380 0 # HB2 C9 110 3.406 51.304 7.428 0 U 4.364e+06 0.00e+00 a 0 1266 1265 1322 0 # HH2 W66 111 3.406 51.304 2.167 0 U 6.955e+06 0.00e+00 a 0 1266 1265 1124 0 # HB3 P10 112 3.406 51.304 3.056 0 U 2.439e+07 0.00e+00 a 0 1266 1265 1267 0 # HD2 P10 113 3.406 51.304 7.296 0 U 2.851e+06 0.00e+00 a 0 1266 1265 1298 0 # HZ2 W66 114 3.406 51.304 2.256 0 U 1.556e+07 0.00e+00 a 0 1266 1265 1382 0 # HA C9 115 0.736 28.279 1.245 0 U 4.554e+07 0.00e+00 a 0 1297 1256 1163 0 # HG13 I15 116 0.736 28.279 1.444 0 U 1.575e+07 0.00e+00 a 0 1297 1256 1014 0 # HB I15 117 0.736 28.279 3.914 0 U 7.560e+06 0.00e+00 a 0 1297 1256 948 0 # HA I15 118 0.736 28.279 0.697 0 U 8.061e+07 0.00e+00 a 0 1297 1256 1150 0 # HG2 I15 119 0.736 28.279 0.371 0 U 2.195e+07 0.00e+00 a 0 1297 1256 1166 0 # HD1 I15 120 4.415 56.090 2.685 0 U 1.365e+08 0.00e+00 a 0 966 300 1026 0 # HB D33 121 4.256 55.547 1.939 0 U 5.937e+07 0.00e+00 a 0 982 309 1374 0 # HB2 Q52 122 2.381 58.005 6.576 0 U 3.399e+06 0.00e+00 a 0 998 384 1308 0 # HD2 H73 123 2.381 58.005 7.221 0 U 5.245e+06 0.00e+00 a 0 998 384 1324 0 # HE3 W66 124 2.381 58.005 3.121 0 U 6.021e+06 0.00e+00 a 0 998 384 1121 0 # HB2 H73 125 2.381 58.005 0.971 0 U 5.489e+07 0.00e+00 a 0 998 384 1141 0 # HB3 K70 126 2.381 58.005 6.752 0 U 1.480e+07 0.00e+00 a 0 998 384 1306 0 # HD2 H69 127 2.381 58.005 -0.521 0 U 5.618e+07 0.00e+00 a 0 998 384 1119 0 # HB2 K70 128 2.381 58.005 0.964 0 U 5.489e+07 0.00e+00 a 0 998 384 1421 0 # HG3 K70 129 2.381 58.005 6.956 0 U 2.619e+06 0.00e+00 a 0 998 384 1326 0 # HZ3 W66 130 2.381 58.005 7.199 0 U 1.308e+06 0.00e+00 a 0 998 384 1320 0 # HD1 W66 131 2.381 58.005 3.373 0 U 6.837e+06 0.00e+00 a 0 998 384 1143 0 # HB3 H73 132 2.381 58.005 0.454 0 U 1.528e+07 0.00e+00 a 0 998 384 1419 0 # HG2 K70 133 3.122 28.125 3.890 0 U 1.755e+07 0.00e+00 a 0 1364 305 977 0 # HA C46 134 3.122 28.125 3.121 0 U 7.849e+07 0.00e+00 a 0 1364 305 1121 0 # HB2 H73 135 3.122 28.125 0.931 0 U 5.957e+06 0.00e+00 a 0 1364 305 1158 0 # HG2 I51 136 3.122 28.125 0.710 0 U 7.913e+06 0.00e+00 a 0 1364 305 1157 0 # HG2 T45 137 3.122 28.125 1.000 0 U 7.068e+06 0.00e+00 a 0 1364 305 1167 0 # HD1 I51 138 3.122 28.125 4.261 0 U 1.442e+07 0.00e+00 a 0 1364 305 1001 0 # HA H73 139 3.122 28.125 2.997 0 U 4.908e+07 0.00e+00 a 0 1364 305 1123 0 # HB2 C46 140 3.122 28.125 1.819 0 U 1.060e+07 0.00e+00 a 0 1364 305 1036 0 # HB I51 141 3.122 28.125 3.373 0 U 4.635e+07 0.00e+00 a 0 1364 305 1143 0 # HB3 H73 142 1.690 43.123 3.890 0 U 4.891e+06 0.00e+00 a 0 1035 372 977 0 # HA C46 143 1.690 43.123 0.794 0 U 1.553e+07 0.00e+00 a 0 1035 372 1276 0 # HD2 L49 144 1.690 43.123 1.728 0 U 5.201e+07 0.00e+00 a 0 1035 372 1067 0 # HG L49 145 1.690 43.123 0.718 0 U 1.467e+07 0.00e+00 a 0 1035 372 1077 0 # HD1 L49 146 1.690 43.123 1.000 0 U 6.852e+06 0.00e+00 a 0 1035 372 1167 0 # HD1 I51 147 1.690 43.123 4.247 0 U 8.170e+06 0.00e+00 a 0 1035 372 980 0 # HA L49 148 1.690 43.123 1.557 0 U 4.082e+07 0.00e+00 a 0 1035 372 1263 0 # HB3 L49 149 2.054 26.191 1.173 0 U 4.336e+07 0.00e+00 a 0 1381 549 1380 0 # HB2 C9 150 2.054 26.191 2.256 0 U 1.836e+07 0.00e+00 a 0 1381 549 1382 0 # HA C9 151 -0.624 21.197 2.580 0 U 5.620e+06 0.00e+00 a 0 1057 1251 1068 0 # HG Q59 152 -0.624 21.197 7.675 0 U 9.709e+06 0.00e+00 a 0 1057 1251 1328 0 # HD F62 153 -0.624 21.197 0.336 0 U 6.863e+07 0.00e+00 a 0 1057 1251 1072 0 # HD1 L12 154 -0.624 21.197 1.553 0 U 3.002e+07 0.00e+00 a 0 1057 1251 1125 0 # HB3 L12 155 -0.624 21.197 2.823 0 U 1.129e+07 0.00e+00 a 0 1057 1251 1385 0 # HB2 C43 156 -0.624 21.197 3.816 0 U 3.303e+06 0.00e+00 a 0 1057 1251 991 0 # HA F62 157 -0.624 21.197 3.068 0 U 6.161e+06 0.00e+00 a 0 1057 1251 1135 0 # HB3 F56 158 -0.624 21.197 4.053 0 U 4.754e+07 0.00e+00 a 0 1057 1251 1294 0 # HD2 P44 159 -0.624 21.197 0.793 0 U 1.344e+07 0.00e+00 a 0 1057 1251 1270 0 # HG2 V13 160 -0.624 21.197 6.698 0 U 4.777e+06 0.00e+00 a 0 1057 1251 1316 0 # HE Y55 161 -0.624 21.197 4.338 0 U 3.877e+07 0.00e+00 a 0 1057 1251 1384 0 # HA C43 162 -0.624 21.197 5.446 0 U 8.152e+06 0.00e+00 a 0 1057 1251 974 0 # HA Q42 163 -0.624 21.197 3.201 0 U 3.423e+06 0.00e+00 a 0 1057 1251 1383 0 # HB3 C43 164 -0.624 21.197 2.208 0 U 1.380e+07 0.00e+00 a 0 1057 1251 1112 0 # HB2 F56 165 -0.624 21.197 1.270 0 U 1.568e+07 0.00e+00 a 0 1057 1251 1397 0 # HG L12 166 -0.624 21.197 3.988 0 U 6.132e+07 0.00e+00 a 0 1057 1251 946 0 # HA L12 167 -0.624 21.197 1.291 0 U 6.186e+07 0.00e+00 a 0 1057 1251 1101 0 # HB2 L12 168 -0.624 21.197 7.293 0 U 5.861e+05 0.00e+00 a 0 1057 1251 1330 0 # HZ F56 169 -0.624 21.197 0.654 0 U 4.292e+06 0.00e+00 a 0 1057 1251 1281 0 # HD2 L41 170 -0.624 21.197 3.819 0 U 3.303e+06 0.00e+00 a 0 1057 1251 988 0 # HA Q59 171 2.357 42.779 4.406 0 U 1.093e+07 0.00e+00 a 0 1073 1236 961 0 # HA R28 172 2.357 42.779 0.853 0 U 4.764e+06 0.00e+00 a 0 1073 1236 1030 0 # HB A39 173 2.357 42.779 1.396 0 U 1.357e+07 0.00e+00 a 0 1073 1236 1105 0 # HB2 R28 174 2.357 42.779 1.102 0 U 1.840e+07 0.00e+00 a 0 1073 1236 1153 0 # HG2 R28 175 2.357 42.779 1.258 0 U 1.980e+07 0.00e+00 a 0 1073 1236 1169 0 # HG3 R28 176 2.357 42.779 2.458 0 U 2.933e+08 0.00e+00 a 0 1073 1236 1288 0 # HD3 R28 177 2.357 42.779 6.698 0 U 4.808e+06 0.00e+00 a 0 1073 1236 1316 0 # HE Y55 178 2.357 42.779 0.697 0 U 3.377e+06 0.00e+00 a 0 1073 1236 1150 0 # HG2 I15 179 2.357 42.779 0.371 0 U 1.047e+07 0.00e+00 a 0 1073 1236 1166 0 # HD1 I15 180 2.357 42.779 1.578 0 U 1.261e+07 0.00e+00 a 0 1073 1236 1128 0 # HB3 R28 181 2.357 42.779 6.910 0 U 4.943e+06 0.00e+00 a 0 1073 1236 1304 0 # HD Y55 182 2.372 32.241 3.627 0 U 8.159e+06 0.00e+00 a 0 1126 606 1174 0 # HD2 P14 183 2.372 32.241 1.910 0 U 2.393e+07 0.00e+00 a 0 1126 606 1399 0 # HG2 P14 184 2.372 32.241 4.587 0 U 3.372e+07 0.00e+00 a 0 1126 606 947 0 # HA P14 185 2.372 32.241 1.786 0 U 8.186e+07 0.00e+00 a 0 1126 606 1102 0 # HB2 P14 186 2.372 32.241 3.801 0 U 6.932e+06 0.00e+00 a 0 1126 606 1176 0 # HD3 P14 187 2.372 32.241 2.065 0 U 2.765e+07 0.00e+00 a 0 1126 606 1058 0 # HG3 P14 188 2.372 32.241 0.654 0 U 9.495e+06 0.00e+00 a 0 1126 606 1281 0 # HD2 L41 189 1.669 40.363 1.387 0 U 6.178e+07 0.00e+00 a 0 1142 339 1120 0 # HB2 L71 190 1.669 40.363 0.898 0 U 1.853e+07 0.00e+00 a 0 1142 339 1168 0 # HD1 L71 191 1.669 40.363 3.747 0 U 1.038e+07 0.00e+00 a 0 1142 339 999 0 # HA L71 192 1.669 40.363 0.717 0 U 9.761e+06 0.00e+00 a 0 1142 339 1175 0 # HD2 L71 193 0.931 17.650 6.576 0 U 3.311e+06 0.00e+00 a 0 1158 1197 1308 0 # HD2 H73 194 0.931 17.650 3.122 0 U 1.668e+07 0.00e+00 a 0 1158 1197 1364 0 # HB3 C46 195 0.931 17.650 4.006 0 U 6.239e+07 0.00e+00 a 0 1158 1197 981 0 # HA I51 196 0.931 17.650 4.261 0 U 1.426e+07 0.00e+00 a 0 1158 1197 1001 0 # HA H73 197 0.931 17.650 2.997 0 U 9.836e+06 0.00e+00 a 0 1158 1197 1123 0 # HB2 C46 198 0.931 17.650 1.500 0 U 4.136e+07 0.00e+00 a 0 1158 1197 1165 0 # HG1 I51 199 0.931 17.650 1.819 0 U 7.376e+07 0.00e+00 a 0 1158 1197 1036 0 # HB I51 200 3.627 50.835 2.372 0 U 1.645e+07 0.00e+00 a 0 1174 1234 1126 0 # HB3 P14 201 3.627 50.835 0.975 0 U 1.212e+07 0.00e+00 a 0 1174 1234 1272 0 # HG1 V13 202 3.627 50.835 1.910 0 U 1.622e+07 0.00e+00 a 0 1174 1234 1399 0 # HG2 P14 203 3.627 50.835 0.793 0 U 7.360e+06 0.00e+00 a 0 1174 1234 1270 0 # HG2 V13 204 3.627 50.835 4.890 0 U 3.716e+07 0.00e+00 a 0 1174 1234 1285 0 # HA V13 205 3.627 50.835 4.587 0 U 3.743e+06 0.00e+00 a 0 1174 1234 947 0 # HA P14 206 3.627 50.835 1.786 0 U 1.071e+07 0.00e+00 a 0 1174 1234 1102 0 # HB2 P14 207 3.627 50.835 3.801 0 U 8.612e+07 0.00e+00 a 0 1174 1234 1176 0 # HD3 P14 208 3.627 50.835 2.275 0 U 2.823e+07 0.00e+00 a 0 1174 1234 1282 0 # HB V13 209 3.627 50.835 2.065 0 U 2.300e+07 0.00e+00 a 0 1174 1234 1058 0 # HG3 P14 210 0.975 21.740 3.627 0 U 1.585e+07 0.00e+00 a 0 1272 1273 1174 0 # HD2 P14 211 0.975 21.740 4.417 0 U 7.225e+06 0.00e+00 a 0 1272 1273 975 0 # HA P44 212 0.975 21.740 0.793 0 U 1.465e+07 0.00e+00 a 0 1272 1273 1270 0 # HG2 V13 213 0.975 21.740 4.890 0 U 5.029e+07 0.00e+00 a 0 1272 1273 1285 0 # HA V13 214 0.975 21.740 2.513 0 U 1.362e+07 0.00e+00 a 0 1272 1273 1293 0 # HG3 P44 215 0.975 21.740 3.801 0 U 1.509e+07 0.00e+00 a 0 1272 1273 1176 0 # HD3 P14 216 0.975 21.740 2.275 0 U 9.247e+07 0.00e+00 a 0 1272 1273 1282 0 # HB V13 217 0.975 21.740 3.988 0 U 1.090e+07 0.00e+00 a 0 1272 1273 946 0 # HA L12 218 0.975 21.740 2.112 0 U 2.698e+07 0.00e+00 a 0 1272 1273 1111 0 # HB2 P44 219 0.794 22.006 1.690 0 U 1.008e+08 0.00e+00 a 0 1276 1253 1035 0 # HB2 L49 220 0.794 22.006 1.728 0 U 1.008e+08 0.00e+00 a 0 1276 1253 1067 0 # HG L49 221 0.794 22.006 0.718 0 U 7.522e+07 0.00e+00 a 0 1276 1253 1077 0 # HD1 L49 222 0.794 22.006 4.247 0 U 1.179e+08 0.00e+00 a 0 1276 1253 980 0 # HA L49 223 0.794 22.006 1.557 0 U 6.520e+07 0.00e+00 a 0 1276 1253 1263 0 # HB3 L49 224 4.003 51.501 0.853 0 U 6.471e+07 0.00e+00 a 0 971 315 1030 0 # HB A39 225 4.003 51.501 3.064 0 U 1.496e+07 0.00e+00 a 0 971 315 1136 0 # HB3 C57 226 4.003 51.501 4.712 0 U 9.414e+07 0.00e+00 a 0 971 315 986 0 # HA C57 227 4.003 51.501 2.622 0 U 1.795e+07 0.00e+00 a 0 971 315 1113 0 # HB2 C57 228 4.548 57.274 0.336 0 U 9.382e+06 0.00e+00 a 0 987 382 1072 0 # HD1 L12 229 4.548 57.274 4.201 0 U 6.867e+07 0.00e+00 a 0 987 382 1040 0 # HB3 S58 230 4.548 57.274 4.105 0 U 6.000e+07 0.00e+00 a 0 987 382 1268 0 # HB2 S58 231 4.548 57.274 0.738 0 U 6.988e+07 0.00e+00 a 0 987 382 1075 0 # HD1 L41 232 1.377 17.975 4.817 0 U 1.892e+06 0.00e+00 a 0 1044 375 993 0 # HA S65 233 1.377 17.975 2.763 0 U 1.101e+07 0.00e+00 a 0 1044 375 1418 0 # HE K70 234 1.377 17.975 0.971 0 U 1.542e+07 0.00e+00 a 0 1044 375 1141 0 # HB3 K70 235 1.377 17.975 4.156 0 U 8.380e+06 0.00e+00 a 0 1044 375 996 0 # HA T68 236 1.377 17.975 3.539 0 U 1.394e+08 0.00e+00 a 0 1044 375 995 0 # HA A67 237 2.763 41.657 1.377 0 U 1.061e+07 0.00e+00 a 0 1418 1247 1044 0 # HB A67 238 2.763 41.657 -0.521 0 U 7.923e+06 0.00e+00 a 0 1418 1247 1119 0 # HB2 K70 239 2.763 41.657 3.539 0 U 2.559e+07 0.00e+00 a 0 1418 1247 995 0 # HA A67 240 2.763 41.657 0.966 0 U 8.727e+07 0.00e+00 a 0 1418 1247 1420 0 # HD K70 241 2.763 41.657 0.717 0 U 9.306e+06 0.00e+00 a 0 1418 1247 1175 0 # HD2 L71 242 2.763 41.657 0.454 0 U 2.525e+07 0.00e+00 a 0 1418 1247 1419 0 # HG2 K70 243 4.235 45.115 3.591 0 U 4.202e+07 0.00e+00 a 0 1094 400 1090 0 # HA2 G34 244 2.772 31.181 4.028 0 U 2.886e+07 0.00e+00 a 0 1115 328 990 0 # HA C61 245 2.772 31.181 3.926 0 U 3.528e+06 0.00e+00 a 0 1115 328 989 0 # HA E60 246 2.772 31.181 3.168 0 U 8.946e+07 0.00e+00 a 0 1115 328 1138 0 # HB3 C61 247 2.852 31.285 2.435 0 U 4.856e+07 0.00e+00 a 0 1131 326 1108 0 # HB2 C35 248 2.852 31.285 1.197 0 U 1.380e+07 0.00e+00 a 0 1131 326 1155 0 # HG2 T32 249 2.852 31.285 4.508 0 U 9.218e+06 0.00e+00 a 0 1131 326 1025 0 # HB T32 250 2.852 31.285 4.524 0 U 2.063e+07 0.00e+00 a 0 1131 326 967 0 # HA C35 251 4.218 64.212 4.817 0 U 2.668e+07 0.00e+00 a 0 1147 376 993 0 # HA S65 252 4.218 64.212 1.197 0 U 5.493e+07 0.00e+00 a 0 1147 376 1155 0 # HG2 T32 253 4.218 64.212 4.077 0 U 1.486e+08 0.00e+00 a 0 1147 376 1117 0 # HB2 S65 254 1.245 28.279 0.736 0 U 5.898e+07 0.00e+00 a 0 1163 1256 1297 0 # HG12 I15 255 1.245 28.279 1.444 0 U 2.530e+07 0.00e+00 a 0 1163 1256 1014 0 # HB I15 256 1.245 28.279 3.914 0 U 9.707e+06 0.00e+00 a 0 1163 1256 948 0 # HA I15 257 1.245 28.279 0.697 0 U 4.813e+07 0.00e+00 a 0 1163 1256 1150 0 # HG2 I15 258 1.245 28.279 0.371 0 U 3.432e+07 0.00e+00 a 0 1163 1256 1166 0 # HD1 I15 259 1.245 28.279 5.067 0 U 5.381e+06 0.00e+00 a 0 1163 1256 973 0 # HA L41 260 4.497 62.258 2.270 0 U 3.604e+07 0.00e+00 a 0 944 601 1291 0 # HG3 P10 261 4.497 62.258 1.908 0 U 3.291e+07 0.00e+00 a 0 944 601 1100 0 # HB2 P10 262 4.497 62.258 3.406 0 U 7.084e+06 0.00e+00 a 0 944 601 1266 0 # HD3 P10 263 4.497 62.258 1.914 0 U 3.291e+07 0.00e+00 a 0 944 601 1289 0 # HG2 P10 264 4.497 62.258 2.167 0 U 6.976e+07 0.00e+00 a 0 944 601 1124 0 # HB3 P10 265 4.497 62.258 2.474 0 U 7.981e+06 0.00e+00 a 0 944 601 1012 0 # HB D8 266 4.497 62.258 3.056 0 U 4.415e+06 0.00e+00 a 0 944 601 1267 0 # HD2 P10 267 1.914 26.334 2.270 0 U 1.475e+07 0.00e+00 a 0 1289 1205 1291 0 # HG3 P10 268 1.914 26.334 1.908 0 U 4.061e+07 0.00e+00 a 0 1289 1205 1100 0 # HB2 P10 269 1.914 26.334 3.406 0 U 3.866e+06 0.00e+00 a 0 1289 1205 1266 0 # HD3 P10 270 1.914 26.334 4.497 0 U 2.407e+06 0.00e+00 a 0 1289 1205 944 0 # HA P10 271 1.914 26.334 4.084 0 U 2.111e+06 0.00e+00 a 0 1289 1205 1352 0 # HD3 P44 272 1.914 26.334 4.053 0 U 2.915e+06 0.00e+00 a 0 1289 1205 1294 0 # HD2 P44 273 1.914 26.334 2.167 0 U 1.508e+07 0.00e+00 a 0 1289 1205 1124 0 # HB3 P10 274 1.914 26.334 3.056 0 U 4.162e+06 0.00e+00 a 0 1289 1205 1267 0 # HD2 P10 275 1.914 26.334 2.256 0 U 1.472e+07 0.00e+00 a 0 1289 1205 1382 0 # HA C9 276 3.867 66.053 1.966 0 U 3.334e+07 0.00e+00 a 0 976 574 1034 0 # HB K48 277 3.867 66.053 0.710 0 U 7.441e+07 0.00e+00 a 0 976 574 1157 0 # HG2 T45 278 3.867 66.053 3.636 0 U 6.219e+07 0.00e+00 a 0 976 574 1032 0 # HB T45 279 3.867 66.053 1.673 0 U 1.203e+07 0.00e+00 a 0 976 574 1414 0 # HD K48 280 3.848 59.601 3.141 0 U 4.193e+07 0.00e+00 a 0 992 361 1368 0 # HB3 W66 281 3.848 59.601 1.865 0 U 7.628e+07 0.00e+00 a 0 992 361 1042 0 # HB K63 282 3.848 59.601 3.816 0 U 4.173e+08 0.00e+00 a 0 992 361 991 0 # HA F62 283 3.848 59.601 3.067 0 U 3.653e+07 0.00e+00 a 0 992 361 1377 0 # HB2 W66 284 3.848 59.601 1.504 0 U 2.377e+07 0.00e+00 a 0 992 361 1415 0 # HG3 K63 285 3.848 59.601 1.416 0 U 2.418e+07 0.00e+00 a 0 992 361 1069 0 # HG2 K63 286 3.913 63.933 3.064 0 U 1.805e+07 0.00e+00 a 0 1028 342 1136 0 # HB3 C57 287 3.913 63.933 4.354 0 U 3.516e+07 0.00e+00 a 0 1028 342 969 0 # HA S37 288 3.913 63.933 2.622 0 U 2.423e+07 0.00e+00 a 0 1028 342 1113 0 # HB2 C57 289 1.939 29.221 4.256 0 U 2.626e+07 0.00e+00 a 0 1374 308 982 0 # HA Q52 290 1.939 29.221 2.371 0 U 4.069e+07 0.00e+00 a 0 1374 308 1172 0 # HG3 Q52 291 1.939 29.221 2.084 0 U 4.418e+08 0.00e+00 a 0 1374 308 1365 0 # HB3 Q52 292 1.939 29.221 2.353 0 U 4.069e+07 0.00e+00 a 0 1374 308 1159 0 # HG2 Q52 293 1.728 26.358 3.890 0 U 2.777e+06 0.00e+00 a 0 1067 1222 977 0 # HA C46 294 1.728 26.358 1.690 0 U 6.834e+07 0.00e+00 a 0 1067 1222 1035 0 # HB2 L49 295 1.728 26.358 0.794 0 U 4.038e+07 0.00e+00 a 0 1067 1222 1276 0 # HD2 L49 296 1.728 26.358 0.718 0 U 6.452e+07 0.00e+00 a 0 1067 1222 1077 0 # HD1 L49 297 1.728 26.358 4.247 0 U 5.724e+06 0.00e+00 a 0 1067 1222 980 0 # HA L49 298 1.728 26.358 1.557 0 U 1.061e+07 0.00e+00 a 0 1067 1222 1263 0 # HB3 L49 299 1.387 40.363 1.669 0 U 8.170e+07 0.00e+00 a 0 1120 339 1142 0 # HB3 L71 300 1.387 40.363 0.898 0 U 1.951e+07 0.00e+00 a 0 1120 339 1168 0 # HD1 L71 301 1.387 40.363 1.614 0 U 5.948e+07 0.00e+00 a 0 1120 339 1398 0 # HG L71 302 1.387 40.363 3.747 0 U 1.338e+07 0.00e+00 a 0 1120 339 999 0 # HA L71 303 1.387 40.363 0.717 0 U 1.476e+07 0.00e+00 a 0 1120 339 1175 0 # HD2 L71 304 3.064 31.412 4.003 0 U 1.187e+07 0.00e+00 a 0 1136 223 971 0 # HA A39 305 3.064 31.412 3.913 0 U 1.771e+07 0.00e+00 a 0 1136 223 1028 0 # HB S37 306 3.064 31.412 4.712 0 U 2.149e+07 0.00e+00 a 0 1136 223 986 0 # HA C57 307 3.064 31.412 4.354 0 U 9.824e+05 0.00e+00 a 0 1136 223 969 0 # HA S37 308 3.064 31.412 2.622 0 U 5.341e+07 0.00e+00 a 0 1136 223 1113 0 # HB2 C57 309 0.898 24.975 1.669 0 U 6.917e+07 0.00e+00 a 0 1168 1185 1142 0 # HB3 L71 310 0.898 24.975 1.387 0 U 6.222e+07 0.00e+00 a 0 1168 1185 1120 0 # HB2 L71 311 0.898 24.975 4.156 0 U 2.629e+07 0.00e+00 a 0 1168 1185 996 0 # HA T68 312 0.898 24.975 1.614 0 U 5.387e+07 0.00e+00 a 0 1168 1185 1398 0 # HG L71 313 0.898 24.975 1.197 0 U 2.919e+07 0.00e+00 a 0 1168 1185 1155 0 # HG2 T32 314 0.898 24.975 3.747 0 U 9.210e+06 0.00e+00 a 0 1168 1185 999 0 # HA L71 315 0.898 24.975 0.717 0 U 9.035e+07 0.00e+00 a 0 1168 1185 1175 0 # HD2 L71 316 0.898 24.975 4.182 0 U 2.629e+07 0.00e+00 a 0 1168 1185 1045 0 # HB T68 317 0.850 16.887 0.955 0 U 3.622e+08 0.00e+00 a 0 1200 1196 1164 0 # HG12 I47 318 0.850 16.887 1.966 0 U 1.231e+07 0.00e+00 a 0 1200 1196 1034 0 # HB K48 319 0.850 16.887 4.417 0 U 7.296e+06 0.00e+00 a 0 1200 1196 975 0 # HA P44 320 0.850 16.887 1.819 0 U 9.279e+07 0.00e+00 a 0 1200 1196 1033 0 # HB I47 321 0.850 16.887 0.730 0 U 7.905e+07 0.00e+00 a 0 1200 1196 1188 0 # HD1 I47 322 0.850 16.887 3.999 0 U 1.949e+07 0.00e+00 a 0 1200 1196 979 0 # HA K48 323 0.850 16.887 3.728 0 U 4.713e+07 0.00e+00 a 0 1200 1196 978 0 # HA I47 324 1.723 27.931 0.955 0 U 5.289e+07 0.00e+00 a 0 1295 1259 1164 0 # HG12 I47 325 1.723 27.931 3.890 0 U 8.273e+05 0.00e+00 a 0 1295 1259 977 0 # HA C46 326 1.723 27.931 4.417 0 U 4.319e+06 0.00e+00 a 0 1295 1259 975 0 # HA P44 327 1.723 27.931 0.730 0 U 4.368e+07 0.00e+00 a 0 1295 1259 1188 0 # HD1 I47 328 1.723 27.931 3.728 0 U 1.167e+07 0.00e+00 a 0 1295 1259 978 0 # HA I47 329 4.226 64.057 1.197 0 U 5.140e+07 0.00e+00 a 0 965 325 1155 0 # HG2 T32 330 4.226 64.057 4.508 0 U 3.805e+07 0.00e+00 a 0 965 325 1025 0 # HB T32 331 4.006 61.334 0.931 0 U 6.898e+07 0.00e+00 a 0 981 338 1158 0 # HG2 I51 332 4.006 61.334 1.000 0 U 7.644e+07 0.00e+00 a 0 981 338 1167 0 # HD1 I51 333 4.006 61.334 4.261 0 U 1.314e+07 0.00e+00 a 0 981 338 1001 0 # HA H73 334 4.006 61.334 1.500 0 U 2.961e+07 0.00e+00 a 0 981 338 1165 0 # HG1 I51 335 4.006 61.334 1.819 0 U 2.053e+07 0.00e+00 a 0 981 338 1036 0 # HB I51 336 3.926 60.390 3.159 0 U 4.295e+07 0.00e+00 a 0 997 323 1140 0 # HB3 H69 337 3.926 60.390 1.215 0 U 7.646e+06 0.00e+00 a 0 997 323 1161 0 # HG2 T68 338 3.926 60.390 2.769 0 U 2.440e+07 0.00e+00 a 0 997 323 1118 0 # HB2 H69 339 3.926 60.390 0.791 0 U 2.620e+07 0.00e+00 a 0 997 323 1278 0 # HD2 L72 340 3.926 60.390 4.126 0 U 1.858e+07 0.00e+00 a 0 997 323 994 0 # HA W66 341 1.444 39.069 0.736 0 U 3.364e+07 0.00e+00 a 0 1014 539 1297 0 # HG12 I15 342 1.444 39.069 1.245 0 U 3.071e+07 0.00e+00 a 0 1014 539 1163 0 # HG13 I15 343 1.444 39.069 3.914 0 U 1.879e+07 0.00e+00 a 0 1014 539 948 0 # HA I15 344 1.444 39.069 0.697 0 U 5.987e+07 0.00e+00 a 0 1014 539 1150 0 # HG2 I15 345 1.444 39.069 0.371 0 U 3.698e+07 0.00e+00 a 0 1014 539 1166 0 # HD1 I15 346 1.444 39.069 4.481 0 U 6.664e+06 0.00e+00 a 0 1014 539 972 0 # HA K40 347 1.925 29.880 4.176 0 U 4.046e+07 0.00e+00 a 0 1363 331 970 0 # HA E38 348 1.925 29.880 1.811 0 U 2.948e+08 0.00e+00 a 0 1363 331 1373 0 # HB2 E38 349 1.925 29.880 2.326 0 U 6.075e+07 0.00e+00 a 0 1363 331 1171 0 # HG3 E38 350 1.966 32.274 3.867 0 U 1.902e+07 0.00e+00 a 0 1034 349 976 0 # HA T45 351 1.966 32.274 0.850 0 U 1.409e+07 0.00e+00 a 0 1034 349 1200 0 # HG2 I47 352 1.966 32.274 1.453 0 U 2.115e+07 0.00e+00 a 0 1034 349 1066 0 # HG2 K48 353 1.966 32.274 4.247 0 U 4.186e+06 0.00e+00 a 0 1034 349 980 0 # HA L49 354 1.966 32.274 0.730 0 U 1.229e+07 0.00e+00 a 0 1034 349 1188 0 # HD1 I47 355 1.966 32.274 1.568 0 U 3.147e+07 0.00e+00 a 0 1034 349 1076 0 # HG3 K48 356 1.966 32.274 3.999 0 U 5.472e+07 0.00e+00 a 0 1034 349 979 0 # HA K48 357 1.966 32.274 1.673 0 U 2.935e+07 0.00e+00 a 0 1034 349 1414 0 # HD K48 358 1.173 26.191 3.406 0 U 2.259e+06 0.00e+00 a 0 1380 549 1266 0 # HD3 P10 359 1.173 26.191 2.054 0 U 6.542e+07 0.00e+00 a 0 1380 549 1381 0 # HB3 C9 360 1.173 26.191 7.199 0 U 3.198e+06 0.00e+00 a 0 1380 549 1320 0 # HD1 W66 361 1.173 26.191 3.056 0 U 3.557e+06 0.00e+00 a 0 1380 549 1267 0 # HD2 P10 362 1.173 26.191 2.256 0 U 2.171e+07 0.00e+00 a 0 1380 549 1382 0 # HA C9 363 1.919 33.800 5.446 0 U 6.136e+06 0.00e+00 a 0 1407 1408 974 0 # HA Q42 364 1.919 33.800 0.738 0 U 6.023e+06 0.00e+00 a 0 1407 1408 1075 0 # HD1 L41 365 0.336 27.495 2.563 0 U 1.923e+07 0.00e+00 a 0 1072 1179 1116 0 # HB2 F62 366 0.336 27.495 -0.624 0 U 5.100e+07 0.00e+00 a 0 1072 1179 1057 0 # HD2 L12 367 0.336 27.495 4.548 0 U 4.644e+06 0.00e+00 a 0 1072 1179 987 0 # HA S58 368 0.336 27.495 7.675 0 U 2.246e+06 0.00e+00 a 0 1072 1179 1328 0 # HD F62 369 0.336 27.495 1.553 0 U 3.414e+07 0.00e+00 a 0 1072 1179 1125 0 # HB3 L12 370 0.336 27.495 2.823 0 U 3.886e+06 0.00e+00 a 0 1072 1179 1385 0 # HB2 C43 371 0.336 27.495 3.816 0 U 1.498e+07 0.00e+00 a 0 1072 1179 991 0 # HA F62 372 0.336 27.495 3.068 0 U 9.339e+06 0.00e+00 a 0 1072 1179 1135 0 # HB3 F56 373 0.336 27.495 1.402 0 U 2.070e+07 0.00e+00 a 0 1072 1179 1065 0 # HG L41 374 0.336 27.495 2.835 0 U 2.016e+07 0.00e+00 a 0 1072 1179 1139 0 # HB3 F62 375 0.336 27.495 0.738 0 U 3.940e+07 0.00e+00 a 0 1072 1179 1075 0 # HD1 L41 376 0.336 27.495 2.208 0 U 1.867e+07 0.00e+00 a 0 1072 1179 1112 0 # HB2 F56 377 0.336 27.495 5.067 0 U 3.047e+06 0.00e+00 a 0 1072 1179 973 0 # HA L41 378 0.336 27.495 1.270 0 U 1.877e+07 0.00e+00 a 0 1072 1179 1397 0 # HG L12 379 0.336 27.495 1.576 0 U 3.414e+07 0.00e+00 a 0 1072 1179 1262 0 # HB3 L41 380 0.336 27.495 3.988 0 U 1.138e+07 0.00e+00 a 0 1072 1179 946 0 # HA L12 381 0.336 27.495 1.420 0 U 1.450e+07 0.00e+00 a 0 1072 1179 1031 0 # HB2 L41 382 0.336 27.495 1.291 0 U 6.847e+07 0.00e+00 a 0 1072 1179 1101 0 # HB2 L12 383 0.336 27.495 0.654 0 U 1.626e+07 0.00e+00 a 0 1072 1179 1281 0 # HD2 L41 384 0.336 27.495 3.819 0 U 1.498e+07 0.00e+00 a 0 1072 1179 988 0 # HA Q59 385 1.582 34.938 2.069 0 U 7.492e+07 0.00e+00 a 0 1109 359 1132 0 # HB3 K40 386 1.582 34.938 1.316 0 U 3.123e+07 0.00e+00 a 0 1109 359 1403 0 # HG K40 387 1.582 34.938 1.635 0 U 9.970e+07 0.00e+00 a 0 1109 359 1074 0 # HD K40 388 1.582 34.938 4.481 0 U 9.523e+06 0.00e+00 a 0 1109 359 972 0 # HA K40 389 1.553 44.620 -0.624 0 U 7.145e+06 0.00e+00 a 0 1125 564 1057 0 # HD2 L12 390 1.553 44.620 0.336 0 U 1.312e+07 0.00e+00 a 0 1125 564 1072 0 # HD1 L12 391 1.553 44.620 1.270 0 U 4.533e+06 0.00e+00 a 0 1125 564 1397 0 # HG L12 392 1.553 44.620 3.988 0 U 5.232e+06 0.00e+00 a 0 1125 564 946 0 # HA L12 393 1.553 44.620 1.291 0 U 3.085e+07 0.00e+00 a 0 1125 564 1101 0 # HB2 L12 394 1.553 44.620 3.819 0 U 7.417e+05 0.00e+00 a 0 1125 564 988 0 # HA Q59 395 0.971 29.303 2.381 0 U 2.659e+07 0.00e+00 a 0 1141 385 998 0 # HA K70 396 0.971 29.303 1.377 0 U 1.148e+07 0.00e+00 a 0 1141 385 1044 0 # HB A67 397 0.971 29.303 -0.521 0 U 6.580e+07 0.00e+00 a 0 1141 385 1119 0 # HB2 K70 398 0.971 29.303 0.964 0 U 6.213e+08 0.00e+00 a 0 1141 385 1421 0 # HG3 K70 399 0.971 29.303 3.539 0 U 1.890e+07 0.00e+00 a 0 1141 385 995 0 # HA A67 400 0.971 29.303 7.199 0 U 3.674e+06 0.00e+00 a 0 1141 385 1320 0 # HD1 W66 401 0.971 29.303 7.296 0 U 6.495e+06 0.00e+00 a 0 1141 385 1298 0 # HZ2 W66 402 0.710 21.593 6.576 0 U 6.277e+06 0.00e+00 a 0 1157 1195 1308 0 # HD2 H73 403 0.710 21.593 3.122 0 U 1.432e+07 0.00e+00 a 0 1157 1195 1364 0 # HB3 C46 404 0.710 21.593 3.867 0 U 9.167e+07 0.00e+00 a 0 1157 1195 976 0 # HA T45 405 0.710 21.593 3.636 0 U 9.818e+07 0.00e+00 a 0 1157 1195 1032 0 # HB T45 406 0.710 21.593 3.373 0 U 7.078e+06 0.00e+00 a 0 1157 1195 1143 0 # HB3 H73 407 2.384 36.459 2.250 0 U 3.631e+08 0.00e+00 a 0 1173 1225 1160 0 # HG2 E60 408 2.384 36.459 3.926 0 U 1.358e+07 0.00e+00 a 0 1173 1225 989 0 # HA E60 409 4.176 56.969 1.925 0 U 1.473e+08 0.00e+00 a 0 970 332 1363 0 # HB3 E38 410 4.176 56.969 1.811 0 U 1.343e+08 0.00e+00 a 0 970 332 1373 0 # HB2 E38 411 4.176 56.969 2.055 0 U 7.860e+07 0.00e+00 a 0 970 332 1156 0 # HG2 E38 412 4.176 56.969 2.326 0 U 4.431e+07 0.00e+00 a 0 970 332 1171 0 # HG3 E38 413 4.176 56.969 0.822 0 U 2.486e+07 0.00e+00 a 0 970 332 1149 0 # HG2 V29 414 4.712 60.115 0.853 0 U 1.842e+07 0.00e+00 a 0 986 330 1030 0 # HB A39 415 4.712 60.115 4.003 0 U 1.035e+08 0.00e+00 a 0 986 330 971 0 # HA A39 416 4.712 60.115 3.064 0 U 5.083e+07 0.00e+00 a 0 986 330 1136 0 # HB3 C57 417 4.712 60.115 2.622 0 U 4.902e+07 0.00e+00 a 0 986 330 1113 0 # HB2 C57 418 3.961 57.433 4.261 0 U 1.094e+07 0.00e+00 a 0 1002 352 1001 0 # HA H73 419 3.961 57.433 1.267 0 U 5.726e+07 0.00e+00 a 0 1002 352 1425 0 # HG K74 420 3.961 57.433 1.703 0 U 6.074e+07 0.00e+00 a 0 1002 352 1144 0 # HB3 K74 421 3.961 57.433 1.392 0 U 6.695e+07 0.00e+00 a 0 1002 352 1122 0 # HB2 K74 422 4.084 51.533 2.270 0 U 3.421e+06 0.00e+00 a 0 1352 1292 1291 0 # HG3 P10 423 4.084 51.533 2.079 0 U 6.233e+06 0.00e+00 a 0 1352 1292 1448 0 # HG2 P44 424 4.084 51.533 1.914 0 U 6.217e+06 0.00e+00 a 0 1352 1292 1289 0 # HG2 P10 425 4.084 51.533 4.417 0 U 1.220e+07 0.00e+00 a 0 1352 1292 975 0 # HA P44 426 4.084 51.533 0.793 0 U 6.106e+06 0.00e+00 a 0 1352 1292 1270 0 # HG2 V13 427 4.084 51.533 2.270 0 U 3.421e+06 0.00e+00 a 0 1352 1292 1134 0 # HB3 P44 428 4.084 51.533 2.513 0 U 9.993e+06 0.00e+00 a 0 1352 1292 1293 0 # HG3 P44 429 4.084 51.533 2.112 0 U 9.476e+06 0.00e+00 a 0 1352 1292 1111 0 # HB2 P44 430 3.141 30.663 3.848 0 U 1.041e+07 0.00e+00 a 0 1368 318 992 0 # HA K63 431 3.141 30.663 3.067 0 U 5.408e+07 0.00e+00 a 0 1368 318 1377 0 # HB2 W66 432 1.865 32.062 3.848 0 U 3.623e+07 0.00e+00 a 0 1042 360 992 0 # HA K63 433 1.865 32.062 2.890 0 U 9.348e+06 0.00e+00 a 0 1042 360 1086 0 # HE K63 434 1.865 32.062 1.504 0 U 2.898e+07 0.00e+00 a 0 1042 360 1415 0 # HG3 K63 435 1.865 32.062 1.416 0 U 2.470e+07 0.00e+00 a 0 1042 360 1069 0 # HG2 K63 436 2.823 30.249 -0.624 0 U 5.912e+06 0.00e+00 a 0 1385 573 1057 0 # HD2 L12 437 2.823 30.249 0.336 0 U 2.342e+05 0.00e+00 a 0 1385 573 1072 0 # HD1 L12 438 2.823 30.249 4.338 0 U 1.438e+07 0.00e+00 a 0 1385 573 1384 0 # HA C43 439 2.823 30.249 3.880 0 U 5.411e+06 0.00e+00 a 0 1385 573 1038 0 # HB S54 440 2.823 30.249 3.201 0 U 4.588e+07 0.00e+00 a 0 1385 573 1383 0 # HB3 C43 441 2.823 30.249 4.243 0 U 5.034e+06 0.00e+00 a 0 1385 573 983 0 # HA S54 442 0.718 26.327 6.576 0 U 5.414e+06 0.00e+00 a 0 1077 1183 1308 0 # HD2 H73 443 0.718 26.327 3.890 0 U 1.384e+07 0.00e+00 a 0 1077 1183 977 0 # HA C46 444 0.718 26.327 3.121 0 U 1.297e+07 0.00e+00 a 0 1077 1183 1121 0 # HB2 H73 445 0.718 26.327 1.690 0 U 1.106e+08 0.00e+00 a 0 1077 1183 1035 0 # HB2 L49 446 0.718 26.327 0.794 0 U 4.264e+08 0.00e+00 a 0 1077 1183 1276 0 # HD2 L49 447 0.718 26.327 1.728 0 U 1.211e+08 0.00e+00 a 0 1077 1183 1067 0 # HG L49 448 0.718 26.327 1.000 0 U 3.064e+07 0.00e+00 a 0 1077 1183 1167 0 # HD1 I51 449 0.718 26.327 4.247 0 U 2.507e+07 0.00e+00 a 0 1077 1183 980 0 # HA L49 450 0.718 26.327 1.557 0 U 7.695e+07 0.00e+00 a 0 1077 1183 1263 0 # HB3 L49 451 0.718 26.327 2.945 0 U 4.472e+06 0.00e+00 a 0 1077 1183 1085 0 # HE K48 452 0.718 26.327 1.673 0 U 1.141e+07 0.00e+00 a 0 1077 1183 1414 0 # HD K48 453 0.718 26.327 3.373 0 U 5.284e+06 0.00e+00 a 0 1077 1183 1143 0 # HB3 H73 454 4.004 46.730 4.185 0 U 5.641e+07 0.00e+00 a 0 1093 389 1097 0 # HA3 G64 455 1.936 27.615 2.580 0 U 1.602e+07 0.00e+00 a 0 1114 195 1068 0 # HG Q59 456 1.936 27.615 2.252 0 U 5.356e+07 0.00e+00 a 0 1114 195 1137 0 # HB3 Q59 457 1.936 27.615 3.819 0 U 1.478e+07 0.00e+00 a 0 1114 195 988 0 # HA Q59 458 1.871 29.562 4.048 0 U 1.541e+07 0.00e+00 a 0 1130 310 964 0 # HA E31 459 1.871 29.562 1.273 0 U 5.045e+07 0.00e+00 a 0 1130 310 1107 0 # HB2 E31 460 1.871 29.562 2.266 0 U 5.362e+07 0.00e+00 a 0 1130 310 1154 0 # HG2 E31 461 1.871 29.562 2.485 0 U 1.390e+07 0.00e+00 a 0 1130 310 1170 0 # HG3 E31 462 0.922 21.230 3.891 0 U 1.774e+07 0.00e+00 a 0 1162 1258 1027 0 # HB S36 463 0.922 21.230 4.747 0 U 4.867e+07 0.00e+00 a 0 1162 1258 968 0 # HA S36 464 0.922 21.230 0.822 0 U 4.631e+07 0.00e+00 a 0 1162 1258 1149 0 # HG2 V29 465 0.922 21.230 4.069 0 U 4.107e+07 0.00e+00 a 0 1162 1258 962 0 # HA V29 466 0.922 21.230 1.767 0 U 7.041e+07 0.00e+00 a 0 1162 1258 1024 0 # HB V29 467 4.578 53.465 2.474 0 U 1.222e+08 0.00e+00 a 0 943 544 1012 0 # HB D8 468 4.578 53.465 7.296 0 U 4.378e+06 0.00e+00 a 0 943 544 1298 0 # HZ2 W66 469 2.458 42.779 4.406 0 U 1.115e+07 0.00e+00 a 0 1288 1236 961 0 # HA R28 470 2.458 42.779 0.853 0 U 4.626e+06 0.00e+00 a 0 1288 1236 1030 0 # HB A39 471 2.458 42.779 1.396 0 U 1.337e+07 0.00e+00 a 0 1288 1236 1105 0 # HB2 R28 472 2.458 42.779 1.102 0 U 1.748e+07 0.00e+00 a 0 1288 1236 1153 0 # HG2 R28 473 2.458 42.779 1.258 0 U 1.994e+07 0.00e+00 a 0 1288 1236 1169 0 # HG3 R28 474 2.458 42.779 2.357 0 U 2.776e+08 0.00e+00 a 0 1288 1236 1073 0 # HD2 R28 475 2.458 42.779 6.698 0 U 4.466e+06 0.00e+00 a 0 1288 1236 1316 0 # HE Y55 476 2.458 42.779 0.371 0 U 9.411e+06 0.00e+00 a 0 1288 1236 1166 0 # HD1 I15 477 2.458 42.779 1.578 0 U 1.169e+07 0.00e+00 a 0 1288 1236 1128 0 # HB3 R28 478 2.458 42.779 6.910 0 U 4.696e+06 0.00e+00 a 0 1288 1236 1304 0 # HD Y55 479 4.417 64.186 0.975 0 U 1.973e+07 0.00e+00 a 0 975 608 1272 0 # HG1 V13 480 4.417 64.186 0.850 0 U 3.131e+07 0.00e+00 a 0 975 608 1200 0 # HG2 I47 481 4.417 64.186 1.723 0 U 1.647e+07 0.00e+00 a 0 975 608 1295 0 # HG13 I47 482 4.417 64.186 4.084 0 U 1.223e+07 0.00e+00 a 0 975 608 1352 0 # HD3 P44 483 4.417 64.186 1.819 0 U 3.792e+07 0.00e+00 a 0 975 608 1033 0 # HB I47 484 4.417 64.186 0.730 0 U 7.359e+07 0.00e+00 a 0 975 608 1188 0 # HD1 I47 485 4.417 64.186 0.793 0 U 5.578e+07 0.00e+00 a 0 975 608 1270 0 # HG2 V13 486 4.417 64.186 2.270 0 U 3.995e+07 0.00e+00 a 0 975 608 1134 0 # HB3 P44 487 4.417 64.186 2.513 0 U 1.110e+07 0.00e+00 a 0 975 608 1293 0 # HG3 P44 488 4.417 64.186 2.112 0 U 4.970e+07 0.00e+00 a 0 975 608 1111 0 # HB2 P44 489 3.816 59.376 2.563 0 U 3.429e+07 0.00e+00 a 0 991 363 1116 0 # HB2 F62 490 3.816 59.376 -0.624 0 U 3.238e+06 0.00e+00 a 0 991 363 1057 0 # HD2 L12 491 3.816 59.376 3.848 0 U 3.839e+08 0.00e+00 a 0 991 363 992 0 # HA K63 492 3.816 59.376 0.336 0 U 1.259e+07 0.00e+00 a 0 991 363 1072 0 # HD1 L12 493 3.891 63.704 0.922 0 U 1.693e+07 0.00e+00 a 0 1027 393 1162 0 # HG1 V29 494 3.891 63.704 4.747 0 U 7.210e+07 0.00e+00 a 0 1027 393 968 0 # HA S36 495 3.891 63.704 4.524 0 U 5.605e+06 0.00e+00 a 0 1027 393 967 0 # HA C35 496 1.811 29.880 1.925 0 U 4.118e+08 0.00e+00 a 0 1373 331 1363 0 # HB3 E38 497 1.811 29.880 4.176 0 U 4.847e+07 0.00e+00 a 0 1373 331 970 0 # HA E38 498 1.811 29.880 2.055 0 U 7.377e+07 0.00e+00 a 0 1373 331 1156 0 # HG2 E38 499 1.811 29.880 2.326 0 U 1.912e+07 0.00e+00 a 0 1373 331 1171 0 # HG3 E38 500 1.910 27.764 2.372 0 U 2.438e+07 0.00e+00 a 0 1399 1208 1126 0 # HB3 P14 501 1.910 27.764 3.627 0 U 1.455e+07 0.00e+00 a 0 1399 1208 1174 0 # HD2 P14 502 1.910 27.764 3.914 0 U 4.629e+06 0.00e+00 a 0 1399 1208 948 0 # HA I15 503 1.910 27.764 4.890 0 U 4.314e+06 0.00e+00 a 0 1399 1208 1285 0 # HA V13 504 1.910 27.764 4.587 0 U 6.400e+06 0.00e+00 a 0 1399 1208 947 0 # HA P14 505 1.910 27.764 1.786 0 U 3.450e+07 0.00e+00 a 0 1399 1208 1102 0 # HB2 P14 506 1.910 27.764 3.801 0 U 1.930e+07 0.00e+00 a 0 1399 1208 1176 0 # HD3 P14 507 1.910 27.764 2.065 0 U 1.118e+08 0.00e+00 a 0 1399 1208 1058 0 # HG3 P14 508 1.910 27.764 0.654 0 U 4.291e+06 0.00e+00 a 0 1399 1208 1281 0 # HD2 L41 509 1.453 25.043 1.966 0 U 1.981e+07 0.00e+00 a 0 1066 1221 1034 0 # HB K48 510 1.453 25.043 1.568 0 U 3.215e+08 0.00e+00 a 0 1066 1221 1076 0 # HG3 K48 511 1.453 25.043 3.999 0 U 8.083e+06 0.00e+00 a 0 1066 1221 979 0 # HA K48 512 1.453 25.043 2.945 0 U 1.294e+07 0.00e+00 a 0 1066 1221 1085 0 # HE K48 513 1.453 25.043 1.673 0 U 2.154e+08 0.00e+00 a 0 1066 1221 1414 0 # HD K48 514 -0.521 29.303 2.381 0 U 1.543e+07 0.00e+00 a 0 1119 385 998 0 # HA K70 515 -0.521 29.303 2.763 0 U 4.499e+06 0.00e+00 a 0 1119 385 1418 0 # HE K70 516 -0.521 29.303 0.971 0 U 3.823e+07 0.00e+00 a 0 1119 385 1141 0 # HB3 K70 517 -0.521 29.303 7.428 0 U 6.079e+05 0.00e+00 a 0 1119 385 1322 0 # HH2 W66 518 -0.521 29.303 0.964 0 U 3.823e+07 0.00e+00 a 0 1119 385 1421 0 # HG3 K70 519 -0.521 29.303 3.539 0 U 1.579e+06 0.00e+00 a 0 1119 385 995 0 # HA A67 520 -0.521 29.303 7.296 0 U 1.573e+06 0.00e+00 a 0 1119 385 1298 0 # HZ2 W66 521 -0.521 29.303 0.454 0 U 1.096e+07 0.00e+00 a 0 1119 385 1419 0 # HG2 K70 522 3.068 45.777 -0.624 0 U 3.606e+06 0.00e+00 a 0 1135 378 1057 0 # HD2 L12 523 3.068 45.777 7.675 0 U 5.309e+06 0.00e+00 a 0 1135 378 1328 0 # HD F62 524 3.068 45.777 0.336 0 U 8.085e+06 0.00e+00 a 0 1135 378 1072 0 # HD1 L12 525 3.068 45.777 5.970 0 U 5.179e+06 0.00e+00 a 0 1135 378 985 0 # HA F56 526 3.068 45.777 5.978 0 U 5.179e+06 0.00e+00 a 0 1135 378 1332 0 # HD F56 527 3.068 45.777 2.208 0 U 3.931e+07 0.00e+00 a 0 1135 378 1112 0 # HB2 F56 528 1.000 15.003 6.576 0 U 2.851e+07 0.00e+00 a 0 1167 1184 1308 0 # HD2 H73 529 1.000 15.003 3.890 0 U 3.539e+07 0.00e+00 a 0 1167 1184 977 0 # HA C46 530 1.000 15.003 3.122 0 U 1.268e+07 0.00e+00 a 0 1167 1184 1364 0 # HB3 C46 531 1.000 15.003 1.690 0 U 3.545e+07 0.00e+00 a 0 1167 1184 1035 0 # HB2 L49 532 1.000 15.003 4.006 0 U 3.053e+07 0.00e+00 a 0 1167 1184 981 0 # HA I51 533 1.000 15.003 0.718 0 U 4.405e+07 0.00e+00 a 0 1167 1184 1077 0 # HD1 L49 534 1.000 15.003 4.261 0 U 3.495e+07 0.00e+00 a 0 1167 1184 1001 0 # HA H73 535 1.000 15.003 1.557 0 U 4.897e+07 0.00e+00 a 0 1167 1184 1263 0 # HB3 L49 536 1.000 15.003 2.997 0 U 5.118e+06 0.00e+00 a 0 1167 1184 1123 0 # HB2 C46 537 1.000 15.003 1.500 0 U 1.427e+08 0.00e+00 a 0 1167 1184 1165 0 # HG1 I51 538 1.000 15.003 1.819 0 U 5.278e+07 0.00e+00 a 0 1167 1184 1036 0 # HB I51 539 1.298 41.465 1.598 0 U 2.822e+07 0.00e+00 a 0 1264 364 1070 0 # HG L72 540 1.298 41.465 3.917 0 U 1.943e+07 0.00e+00 a 0 1264 364 1000 0 # HA L72 541 1.298 41.465 0.791 0 U 3.174e+07 0.00e+00 a 0 1264 364 1278 0 # HD2 L72 542 1.298 41.465 1.361 0 U 1.550e+08 0.00e+00 a 0 1264 364 1046 0 # HB3 L72 543 3.914 62.491 0.736 0 U 4.917e+07 0.00e+00 a 0 948 540 1297 0 # HG12 I15 544 3.914 62.491 1.245 0 U 2.275e+07 0.00e+00 a 0 948 540 1163 0 # HG13 I15 545 3.914 62.491 1.444 0 U 3.260e+07 0.00e+00 a 0 948 540 1014 0 # HB I15 546 3.914 62.491 1.910 0 U 1.267e+07 0.00e+00 a 0 948 540 1399 0 # HG2 P14 547 3.914 62.491 0.697 0 U 7.052e+07 0.00e+00 a 0 948 540 1150 0 # HG2 I15 548 3.914 62.491 0.371 0 U 1.161e+07 0.00e+00 a 0 948 540 1166 0 # HD1 I15 549 3.914 62.491 5.067 0 U 2.108e+06 0.00e+00 a 0 948 540 973 0 # HA L41 550 4.053 51.533 -0.624 0 U 8.625e+06 0.00e+00 a 0 1294 1292 1057 0 # HD2 L12 551 4.053 51.533 1.914 0 U 6.925e+06 0.00e+00 a 0 1294 1292 1289 0 # HG2 P10 552 4.053 51.533 4.338 0 U 2.609e+07 0.00e+00 a 0 1294 1292 1384 0 # HA C43 553 4.053 51.533 2.270 0 U 9.465e+06 0.00e+00 a 0 1294 1292 1134 0 # HB3 P44 554 4.053 51.533 2.513 0 U 1.168e+07 0.00e+00 a 0 1294 1292 1293 0 # HG3 P44 555 4.048 57.268 1.871 0 U 5.222e+07 0.00e+00 a 0 964 311 1130 0 # HB3 E31 556 4.048 57.268 3.579 0 U 3.349e+06 0.00e+00 a 0 964 311 963 0 # HA C30 557 4.048 57.268 1.273 0 U 3.668e+07 0.00e+00 a 0 964 311 1107 0 # HB2 E31 558 4.048 57.268 2.266 0 U 3.765e+07 0.00e+00 a 0 964 311 1154 0 # HG2 E31 559 4.048 57.268 2.485 0 U 2.628e+07 0.00e+00 a 0 964 311 1170 0 # HG3 E31 560 4.247 54.870 6.576 0 U 2.144e+07 0.00e+00 a 0 980 373 1308 0 # HD2 H73 561 4.247 54.870 1.690 0 U 4.765e+07 0.00e+00 a 0 980 373 1035 0 # HB2 L49 562 4.247 54.870 0.794 0 U 1.492e+08 0.00e+00 a 0 980 373 1276 0 # HD2 L49 563 4.247 54.870 1.728 0 U 4.765e+07 0.00e+00 a 0 980 373 1067 0 # HG L49 564 4.247 54.870 1.966 0 U 1.651e+07 0.00e+00 a 0 980 373 1034 0 # HB K48 565 4.247 54.870 0.718 0 U 4.529e+07 0.00e+00 a 0 980 373 1077 0 # HD1 L49 566 4.247 54.870 2.371 0 U 7.088e+06 0.00e+00 a 0 980 373 1172 0 # HG3 Q52 567 4.247 54.870 1.557 0 U 5.034e+07 0.00e+00 a 0 980 373 1263 0 # HB3 L49 568 4.247 54.870 2.084 0 U 1.706e+07 0.00e+00 a 0 980 373 1365 0 # HB3 Q52 569 4.247 54.870 2.353 0 U 7.088e+06 0.00e+00 a 0 980 373 1159 0 # HG2 Q52 570 4.156 63.579 1.377 0 U 1.316e+07 0.00e+00 a 0 996 387 1044 0 # HB A67 571 4.156 63.579 0.898 0 U 4.315e+07 0.00e+00 a 0 996 387 1168 0 # HD1 L71 572 4.156 63.579 1.215 0 U 7.532e+07 0.00e+00 a 0 996 387 1161 0 # HG2 T68 573 4.156 63.579 1.614 0 U 3.113e+07 0.00e+00 a 0 996 387 1398 0 # HG L71 574 4.156 63.579 3.539 0 U 2.535e+06 0.00e+00 a 0 996 387 995 0 # HA A67 575 4.156 63.579 0.717 0 U 7.668e+06 0.00e+00 a 0 996 387 1175 0 # HD2 L71 576 4.156 63.579 4.182 0 U 7.675e+08 0.00e+00 a 0 996 387 1045 0 # HB T68 577 1.819 38.188 0.955 0 U 3.563e+07 0.00e+00 a 0 1033 368 1164 0 # HG12 I47 578 1.819 38.188 3.890 0 U 7.142e+06 0.00e+00 a 0 1033 368 977 0 # HA C46 579 1.819 38.188 0.850 0 U 5.550e+07 0.00e+00 a 0 1033 368 1200 0 # HG2 I47 580 1.819 38.188 4.417 0 U 1.610e+07 0.00e+00 a 0 1033 368 975 0 # HA P44 581 1.819 38.188 0.730 0 U 3.577e+07 0.00e+00 a 0 1033 368 1188 0 # HD1 I47 582 1.819 38.188 3.999 0 U 6.652e+06 0.00e+00 a 0 1033 368 979 0 # HA K48 583 1.819 38.188 3.728 0 U 1.094e+07 0.00e+00 a 0 1033 368 978 0 # HA I47 584 1.737 33.800 5.446 0 U 5.760e+06 0.00e+00 a 0 1406 1408 974 0 # HA Q42 585 2.897 41.926 1.267 0 U 4.826e+07 0.00e+00 a 0 1087 1248 1425 0 # HG K74 586 2.897 41.926 1.522 0 U 1.065e+08 0.00e+00 a 0 1087 1248 1080 0 # HD K74 587 2.897 41.926 0.717 0 U 9.628e+06 0.00e+00 a 0 1087 1248 1175 0 # HD2 L71 588 2.435 31.285 2.852 0 U 6.426e+07 0.00e+00 a 0 1108 326 1131 0 # HB3 C35 589 2.435 31.285 1.197 0 U 2.206e+07 0.00e+00 a 0 1108 326 1155 0 # HG2 T32 590 2.435 31.285 4.508 0 U 1.018e+07 0.00e+00 a 0 1108 326 1025 0 # HB T32 591 2.435 31.285 4.524 0 U 3.131e+07 0.00e+00 a 0 1108 326 967 0 # HA C35 592 2.167 32.729 2.270 0 U 3.586e+07 0.00e+00 a 0 1124 602 1291 0 # HG3 P10 593 2.167 32.729 1.908 0 U 2.458e+07 0.00e+00 a 0 1124 602 1100 0 # HB2 P10 594 2.167 32.729 3.406 0 U 3.359e+06 0.00e+00 a 0 1124 602 1266 0 # HD3 P10 595 2.167 32.729 4.497 0 U 1.293e+07 0.00e+00 a 0 1124 602 944 0 # HA P10 596 2.167 32.729 1.914 0 U 2.458e+07 0.00e+00 a 0 1124 602 1289 0 # HG2 P10 597 2.167 32.729 3.056 0 U 2.268e+06 0.00e+00 a 0 1124 602 1267 0 # HD2 P10 598 3.159 28.915 3.926 0 U 1.211e+07 0.00e+00 a 0 1140 322 997 0 # HA H69 599 3.159 28.915 2.769 0 U 3.562e+07 0.00e+00 a 0 1140 322 1118 0 # HB2 H69 600 3.159 28.915 4.126 0 U 8.860e+06 0.00e+00 a 0 1140 322 994 0 # HA W66 601 2.055 36.279 4.176 0 U 1.218e+07 0.00e+00 a 0 1156 1217 970 0 # HA E38 602 2.055 36.279 1.811 0 U 3.032e+07 0.00e+00 a 0 1156 1217 1373 0 # HB2 E38 603 2.055 36.279 2.326 0 U 2.318e+08 0.00e+00 a 0 1156 1217 1171 0 # HG3 E38 604 2.371 33.695 1.939 0 U 3.874e+07 0.00e+00 a 0 1172 1223 1374 0 # HB2 Q52 605 2.371 33.695 4.247 0 U 1.493e+07 0.00e+00 a 0 1172 1223 980 0 # HA L49 606 2.371 33.695 2.084 0 U 5.792e+07 0.00e+00 a 0 1172 1223 1365 0 # HB3 Q52 607 2.371 33.695 2.353 0 U 8.871e+08 0.00e+00 a 0 1172 1223 1159 0 # HG2 Q52 608 0.730 13.839 0.955 0 U 1.457e+08 0.00e+00 a 0 1188 1182 1164 0 # HG12 I47 609 0.730 13.839 0.850 0 U 1.661e+08 0.00e+00 a 0 1188 1182 1200 0 # HG2 I47 610 0.730 13.839 1.723 0 U 1.070e+08 0.00e+00 a 0 1188 1182 1295 0 # HG13 I47 611 0.730 13.839 1.966 0 U 1.171e+07 0.00e+00 a 0 1188 1182 1034 0 # HB K48 612 0.730 13.839 4.417 0 U 5.281e+07 0.00e+00 a 0 1188 1182 975 0 # HA P44 613 0.730 13.839 1.819 0 U 9.307e+07 0.00e+00 a 0 1188 1182 1033 0 # HB I47 614 0.730 13.839 0.371 0 U 9.272e+06 0.00e+00 a 0 1188 1182 1166 0 # HD1 I15 615 0.730 13.839 2.141 0 U 2.043e+07 0.00e+00 a 0 1188 1182 1133 0 # HB3 Q42 616 0.730 13.839 3.728 0 U 2.156e+07 0.00e+00 a 0 1188 1182 978 0 # HA I47 617 0.793 18.806 -0.624 0 U 3.359e+06 0.00e+00 a 0 1270 1271 1057 0 # HD2 L12 618 0.793 18.806 3.627 0 U 1.343e+07 0.00e+00 a 0 1270 1271 1174 0 # HD2 P14 619 0.793 18.806 0.975 0 U 1.295e+08 0.00e+00 a 0 1270 1271 1272 0 # HG1 V13 620 0.793 18.806 4.084 0 U 9.628e+06 0.00e+00 a 0 1270 1271 1352 0 # HD3 P44 621 0.793 18.806 4.417 0 U 2.436e+07 0.00e+00 a 0 1270 1271 975 0 # HA P44 622 0.793 18.806 4.890 0 U 1.558e+07 0.00e+00 a 0 1270 1271 1285 0 # HA V13 623 0.793 18.806 2.513 0 U 1.202e+07 0.00e+00 a 0 1270 1271 1293 0 # HG3 P44 624 0.793 18.806 1.786 0 U 2.282e+07 0.00e+00 a 0 1270 1271 1102 0 # HB2 P14 625 0.793 18.806 3.801 0 U 7.517e+06 0.00e+00 a 0 1270 1271 1176 0 # HD3 P14 626 0.793 18.806 2.275 0 U 8.133e+07 0.00e+00 a 0 1270 1271 1282 0 # HB V13 627 0.793 18.806 3.988 0 U 1.190e+07 0.00e+00 a 0 1270 1271 946 0 # HA L12 628 0.793 18.806 4.069 0 U 9.543e+06 0.00e+00 a 0 1270 1271 962 0 # HA V29 629 0.793 18.806 2.945 0 U 3.519e+06 0.00e+00 a 0 1270 1271 1085 0 # HE K48 630 0.793 18.806 1.673 0 U 8.791e+06 0.00e+00 a 0 1270 1271 1414 0 # HD K48 631 0.793 18.806 2.112 0 U 4.239e+07 0.00e+00 a 0 1270 1271 1111 0 # HB2 P44 632 4.354 59.652 3.913 0 U 1.014e+08 0.00e+00 a 0 969 343 1028 0 # HB S37 633 4.354 59.652 3.064 0 U 5.253e+06 0.00e+00 a 0 969 343 1136 0 # HB3 C57 634 4.354 59.652 2.622 0 U 6.459e+06 0.00e+00 a 0 969 343 1113 0 # HB2 C57 635 5.970 56.253 0.853 0 U 1.937e+07 0.00e+00 a 0 985 379 1030 0 # HB A39 636 5.970 56.253 7.675 0 U 5.765e+06 0.00e+00 a 0 985 379 1328 0 # HD F62 637 5.970 56.253 3.068 0 U 3.021e+07 0.00e+00 a 0 985 379 1135 0 # HB3 F56 638 5.970 56.253 3.579 0 U 4.875e+07 0.00e+00 a 0 985 379 963 0 # HA C30 639 5.970 56.253 5.978 0 U 2.281e+08 0.00e+00 a 0 985 379 1332 0 # HD F56 640 5.970 56.253 2.208 0 U 1.922e+07 0.00e+00 a 0 985 379 1112 0 # HB2 F56 641 5.970 56.253 2.638 0 U 1.041e+07 0.00e+00 a 0 985 379 1106 0 # HB2 C30 642 4.261 54.622 3.890 0 U 1.031e+07 0.00e+00 a 0 1001 380 977 0 # HA C46 643 4.261 54.622 3.121 0 U 1.981e+07 0.00e+00 a 0 1001 380 1121 0 # HB2 H73 644 4.261 54.622 3.122 0 U 1.981e+07 0.00e+00 a 0 1001 380 1364 0 # HB3 C46 645 4.261 54.622 0.931 0 U 1.252e+07 0.00e+00 a 0 1001 380 1158 0 # HG2 I51 646 4.261 54.622 4.006 0 U 1.108e+07 0.00e+00 a 0 1001 380 981 0 # HA I51 647 4.261 54.622 3.961 0 U 1.062e+07 0.00e+00 a 0 1001 380 1002 0 # HA K74 648 4.261 54.622 1.000 0 U 2.863e+07 0.00e+00 a 0 1001 380 1167 0 # HD1 I51 649 4.261 54.622 2.997 0 U 4.655e+06 0.00e+00 a 0 1001 380 1123 0 # HB2 C46 650 4.261 54.622 3.373 0 U 2.483e+07 0.00e+00 a 0 1001 380 1143 0 # HB3 H73 651 2.021 29.055 4.028 0 U 1.639e+06 0.00e+00 a 0 1367 356 990 0 # HA C61 652 2.021 29.055 3.926 0 U 1.642e+07 0.00e+00 a 0 1367 356 989 0 # HA E60 653 4.201 65.052 4.548 0 U 2.770e+07 0.00e+00 a 0 1040 383 987 0 # HA S58 654 4.201 65.052 4.105 0 U 7.288e+07 0.00e+00 a 0 1040 383 1268 0 # HB2 S58 655 4.338 56.244 -0.624 0 U 4.418e+07 0.00e+00 a 0 1384 572 1057 0 # HD2 L12 656 4.338 56.244 2.823 0 U 1.814e+07 0.00e+00 a 0 1384 572 1385 0 # HB2 C43 657 4.338 56.244 4.053 0 U 5.484e+07 0.00e+00 a 0 1384 572 1294 0 # HD2 P44 658 4.338 56.244 3.880 0 U 7.654e+06 0.00e+00 a 0 1384 572 1038 0 # HB S54 659 4.338 56.244 3.201 0 U 1.246e+07 0.00e+00 a 0 1384 572 1383 0 # HB3 C43 660 4.338 56.244 3.988 0 U 3.466e+07 0.00e+00 a 0 1384 572 946 0 # HA L12 661 1.568 25.043 1.966 0 U 1.884e+07 0.00e+00 a 0 1076 1221 1034 0 # HB K48 662 1.568 25.043 1.453 0 U 1.939e+08 0.00e+00 a 0 1076 1221 1066 0 # HG2 K48 663 1.568 25.043 1.557 0 U 2.055e+08 0.00e+00 a 0 1076 1221 1263 0 # HB3 L49 664 1.568 25.043 3.999 0 U 7.129e+06 0.00e+00 a 0 1076 1221 979 0 # HA K48 665 1.568 25.043 2.945 0 U 5.088e+06 0.00e+00 a 0 1076 1221 1085 0 # HE K48 666 1.568 25.043 1.673 0 U 8.914e+07 0.00e+00 a 0 1076 1221 1414 0 # HD K48 667 3.256 45.583 6.698 0 U 6.670e+06 0.00e+00 a 0 1092 403 1316 0 # HE Y55 668 3.256 45.583 3.849 0 U 7.056e+07 0.00e+00 a 0 1092 403 1096 0 # HA3 G53 669 2.622 31.412 4.003 0 U 1.339e+07 0.00e+00 a 0 1113 223 971 0 # HA A39 670 2.622 31.412 3.913 0 U 1.972e+07 0.00e+00 a 0 1113 223 1028 0 # HB S37 671 2.622 31.412 3.064 0 U 5.080e+07 0.00e+00 a 0 1113 223 1136 0 # HB3 C57 672 2.622 31.412 4.712 0 U 1.865e+07 0.00e+00 a 0 1113 223 986 0 # HA C57 673 2.622 31.412 4.354 0 U 2.139e+06 0.00e+00 a 0 1113 223 969 0 # HA S37 674 2.952 31.509 3.579 0 U 1.044e+07 0.00e+00 a 0 1129 302 963 0 # HA C30 675 2.952 31.509 4.747 0 U 3.401e+06 0.00e+00 a 0 1129 302 968 0 # HA S36 676 2.952 31.509 2.638 0 U 5.226e+07 0.00e+00 a 0 1129 302 1106 0 # HB2 C30 677 1.215 21.927 3.926 0 U 3.445e+06 0.00e+00 a 0 1161 1198 997 0 # HA H69 678 1.215 21.927 4.156 0 U 9.848e+07 0.00e+00 a 0 1161 1198 996 0 # HA T68 679 1.215 21.927 4.182 0 U 9.848e+07 0.00e+00 a 0 1161 1198 1045 0 # HB T68 680 4.226 56.392 7.296 0 U 6.422e+06 0.00e+00 a 0 942 582 1298 0 # HZ2 W66 681 4.890 57.612 3.627 0 U 6.191e+07 0.00e+00 a 0 1285 580 1174 0 # HD2 P14 682 4.890 57.612 0.975 0 U 6.931e+07 0.00e+00 a 0 1285 580 1272 0 # HG1 V13 683 4.890 57.612 1.910 0 U 1.182e+07 0.00e+00 a 0 1285 580 1399 0 # HG2 P14 684 4.890 57.612 0.793 0 U 2.276e+07 0.00e+00 a 0 1285 580 1270 0 # HG2 V13 685 4.890 57.612 3.801 0 U 9.687e+07 0.00e+00 a 0 1285 580 1176 0 # HD3 P14 686 4.890 57.612 2.275 0 U 5.250e+07 0.00e+00 a 0 1285 580 1282 0 # HB V13 687 4.890 57.612 2.065 0 U 1.269e+07 0.00e+00 a 0 1285 580 1058 0 # HG3 P14 688 4.890 57.612 0.654 0 U 1.202e+07 0.00e+00 a 0 1285 580 1281 0 # HD2 L41 689 5.446 53.643 -0.624 0 U 1.239e+07 0.00e+00 a 0 974 334 1057 0 # HD2 L12 690 5.446 53.643 1.919 0 U 4.037e+07 0.00e+00 a 0 974 334 1407 0 # HG3 Q42 691 5.446 53.643 1.737 0 U 3.566e+07 0.00e+00 a 0 974 334 1406 0 # HG2 Q42 692 5.446 53.643 0.371 0 U 5.447e+06 0.00e+00 a 0 974 334 1166 0 # HD1 I15 693 5.446 53.643 0.738 0 U 9.784e+06 0.00e+00 a 0 974 334 1075 0 # HD1 L41 694 5.446 53.643 6.910 0 U 1.565e+07 0.00e+00 a 0 974 334 1304 0 # HD Y55 695 5.446 53.643 5.067 0 U 4.277e+06 0.00e+00 a 0 974 334 973 0 # HA L41 696 5.446 53.643 2.141 0 U 1.585e+07 0.00e+00 a 0 974 334 1133 0 # HB3 Q42 697 4.028 62.808 2.772 0 U 5.815e+07 0.00e+00 a 0 990 329 1115 0 # HB2 C61 698 4.028 62.808 2.021 0 U 2.364e+07 0.00e+00 a 0 990 329 1367 0 # HB3 E60 699 4.028 62.808 3.168 0 U 3.533e+07 0.00e+00 a 0 990 329 1138 0 # HB3 C61 700 2.685 40.537 4.415 0 U 5.665e+07 0.00e+00 a 0 1026 301 966 0 # HA D33 701 2.685 40.537 1.197 0 U 6.175e+06 0.00e+00 a 0 1026 301 1155 0 # HG2 T32 702 1.792 32.627 1.392 0 U 4.031e+07 0.00e+00 a 0 1047 405 1122 0 # HB2 K74 703 1.614 26.688 1.387 0 U 7.260e+07 0.00e+00 a 0 1398 1228 1120 0 # HB2 L71 704 1.614 26.688 0.898 0 U 1.508e+07 0.00e+00 a 0 1398 1228 1168 0 # HD1 L71 705 1.614 26.688 4.156 0 U 8.909e+06 0.00e+00 a 0 1398 1228 996 0 # HA T68 706 1.614 26.688 3.747 0 U 1.156e+07 0.00e+00 a 0 1398 1228 999 0 # HA L71 707 1.614 26.688 0.717 0 U 3.832e+07 0.00e+00 a 0 1398 1228 1175 0 # HD2 L71 708 1.614 26.688 4.182 0 U 8.909e+06 0.00e+00 a 0 1398 1228 1045 0 # HB T68 709 1.402 27.127 0.336 0 U 6.263e+06 0.00e+00 a 0 1065 1424 1072 0 # HD1 L12 710 1.402 27.127 0.738 0 U 3.233e+07 0.00e+00 a 0 1065 1424 1075 0 # HD1 L41 711 1.402 27.127 5.067 0 U 5.243e+06 0.00e+00 a 0 1065 1424 973 0 # HA L41 712 1.402 27.127 1.576 0 U 4.704e+07 0.00e+00 a 0 1065 1424 1262 0 # HB3 L41 713 1.402 27.127 1.420 0 U 1.047e+08 0.00e+00 a 0 1065 1424 1031 0 # HB2 L41 714 1.402 27.127 0.654 0 U 2.478e+07 0.00e+00 a 0 1065 1424 1281 0 # HD2 L41 715 1.644 29.108 2.897 0 U 7.289e+07 0.00e+00 a 0 1081 1241 1087 0 # HE K74 716 0.964 23.095 2.381 0 U 7.626e+06 0.00e+00 a 0 1421 1227 998 0 # HA K70 717 0.964 23.095 0.971 0 U 1.592e+08 0.00e+00 a 0 1421 1227 1141 0 # HB3 K70 718 0.964 23.095 -0.521 0 U 1.981e+07 0.00e+00 a 0 1421 1227 1119 0 # HB2 K70 719 0.964 23.095 2.769 0 U 1.205e+07 0.00e+00 a 0 1421 1227 1118 0 # HB2 H69 720 0.964 23.095 0.454 0 U 5.249e+07 0.00e+00 a 0 1421 1227 1419 0 # HG2 K70 721 1.267 24.624 3.961 0 U 1.828e+07 0.00e+00 a 0 1425 1230 1002 0 # HA K74 722 1.267 24.624 2.897 0 U 1.941e+07 0.00e+00 a 0 1425 1230 1087 0 # HE K74 723 1.267 24.624 1.522 0 U 1.235e+08 0.00e+00 a 0 1425 1230 1080 0 # HD K74 724 1.267 24.624 1.392 0 U 1.695e+08 0.00e+00 a 0 1425 1230 1122 0 # HB2 K74 725 4.185 46.730 4.004 0 U 5.371e+07 0.00e+00 a 0 1097 389 1093 0 # HA2 G64 726 2.769 28.915 3.926 0 U 5.821e+06 0.00e+00 a 0 1118 322 997 0 # HA H69 727 2.769 28.915 3.159 0 U 2.768e+07 0.00e+00 a 0 1118 322 1140 0 # HB3 H69 728 2.769 28.915 0.964 0 U 7.142e+06 0.00e+00 a 0 1118 322 1421 0 # HG3 K70 729 2.769 28.915 4.126 0 U 8.735e+06 0.00e+00 a 0 1118 322 994 0 # HA W66 730 2.769 28.915 7.296 0 U 7.506e+05 0.00e+00 a 0 1118 322 1298 0 # HZ2 W66 731 2.270 31.739 2.079 0 U 2.000e+07 0.00e+00 a 0 1134 609 1448 0 # HG2 P44 732 2.270 31.739 4.084 0 U 4.023e+06 0.00e+00 a 0 1134 609 1352 0 # HD3 P44 733 2.270 31.739 4.417 0 U 7.561e+06 0.00e+00 a 0 1134 609 975 0 # HA P44 734 2.270 31.739 4.053 0 U 2.602e+06 0.00e+00 a 0 1134 609 1294 0 # HD2 P44 735 2.270 31.739 2.513 0 U 2.081e+07 0.00e+00 a 0 1134 609 1293 0 # HG3 P44 736 2.270 31.739 3.636 0 U 3.382e+06 0.00e+00 a 0 1134 609 1032 0 # HB T45 737 2.270 31.739 2.112 0 U 3.346e+07 0.00e+00 a 0 1134 609 1111 0 # HB2 P44 738 0.697 17.143 0.736 0 U 1.383e+09 0.00e+00 a 0 1150 1189 1297 0 # HG12 I15 739 0.697 17.143 2.357 0 U 3.643e+06 0.00e+00 a 0 1150 1189 1073 0 # HD2 R28 740 0.697 17.143 1.245 0 U 3.063e+07 0.00e+00 a 0 1150 1189 1163 0 # HG13 I15 741 0.697 17.143 1.444 0 U 8.173e+07 0.00e+00 a 0 1150 1189 1014 0 # HB I15 742 0.697 17.143 3.914 0 U 4.877e+07 0.00e+00 a 0 1150 1189 948 0 # HA I15 743 0.697 17.143 6.698 0 U 1.918e+07 0.00e+00 a 0 1150 1189 1316 0 # HE Y55 744 0.697 17.143 0.371 0 U 8.239e+07 0.00e+00 a 0 1150 1189 1166 0 # HD1 I15 745 0.697 17.143 6.910 0 U 1.053e+07 0.00e+00 a 0 1150 1189 1304 0 # HD Y55 746 0.697 17.143 5.067 0 U 3.987e+06 0.00e+00 a 0 1150 1189 973 0 # HA L41 747 0.697 17.143 4.481 0 U 8.673e+06 0.00e+00 a 0 1150 1189 972 0 # HA K40 748 0.371 14.121 0.853 0 U 3.320e+07 0.00e+00 a 0 1166 1180 1030 0 # HB A39 749 0.371 14.121 2.556 0 U 1.199e+07 0.00e+00 a 0 1166 1180 1375 0 # HB2 Y55 750 0.371 14.121 0.736 0 U 2.923e+08 0.00e+00 a 0 1166 1180 1297 0 # HG12 I15 751 0.371 14.121 2.357 0 U 1.005e+07 0.00e+00 a 0 1166 1180 1073 0 # HD2 R28 752 0.371 14.121 1.245 0 U 7.117e+07 0.00e+00 a 0 1166 1180 1163 0 # HG13 I15 753 0.371 14.121 1.444 0 U 5.149e+07 0.00e+00 a 0 1166 1180 1014 0 # HB I15 754 0.371 14.121 2.458 0 U 1.414e+07 0.00e+00 a 0 1166 1180 1288 0 # HD3 R28 755 0.371 14.121 3.914 0 U 1.011e+07 0.00e+00 a 0 1166 1180 948 0 # HA I15 756 0.371 14.121 0.730 0 U 2.085e+08 0.00e+00 a 0 1166 1180 1188 0 # HD1 I47 757 0.371 14.121 6.698 0 U 1.179e+07 0.00e+00 a 0 1166 1180 1316 0 # HE Y55 758 0.371 14.121 5.446 0 U 2.865e+06 0.00e+00 a 0 1166 1180 974 0 # HA Q42 759 0.371 14.121 0.697 0 U 1.477e+08 0.00e+00 a 0 1166 1180 1150 0 # HG2 I15 760 0.371 14.121 5.314 0 U 4.762e+06 0.00e+00 a 0 1166 1180 984 0 # HA Y55 761 0.371 14.121 6.910 0 U 2.192e+07 0.00e+00 a 0 1166 1180 1304 0 # HD Y55 762 0.371 14.121 5.067 0 U 4.508e+06 0.00e+00 a 0 1166 1180 973 0 # HA L41 763 0.371 14.121 1.576 0 U 1.218e+07 0.00e+00 a 0 1166 1180 1262 0 # HB3 L41 764 0.371 14.121 4.481 0 U 4.361e+07 0.00e+00 a 0 1166 1180 972 0 # HA K40 765 1.557 43.123 3.890 0 U 5.239e+06 0.00e+00 a 0 1263 372 977 0 # HA C46 766 1.557 43.123 1.690 0 U 4.317e+07 0.00e+00 a 0 1263 372 1035 0 # HB2 L49 767 1.557 43.123 0.794 0 U 1.751e+07 0.00e+00 a 0 1263 372 1276 0 # HD2 L49 768 1.557 43.123 1.728 0 U 4.317e+07 0.00e+00 a 0 1263 372 1067 0 # HG L49 769 1.557 43.123 0.718 0 U 1.682e+07 0.00e+00 a 0 1263 372 1077 0 # HD1 L49 770 1.557 43.123 1.000 0 U 5.941e+06 0.00e+00 a 0 1263 372 1167 0 # HD1 I51 771 1.557 43.123 4.247 0 U 8.716e+06 0.00e+00 a 0 1263 372 980 0 # HA L49 772 1.557 43.123 1.568 0 U 4.795e+07 0.00e+00 a 0 1263 372 1076 0 # HG3 K48 773 4.587 63.223 2.372 0 U 4.914e+07 0.00e+00 a 0 947 604 1126 0 # HB3 P14 774 4.587 63.223 3.627 0 U 6.160e+06 0.00e+00 a 0 947 604 1174 0 # HD2 P14 775 4.587 63.223 1.910 0 U 1.799e+07 0.00e+00 a 0 947 604 1399 0 # HG2 P14 776 4.587 63.223 1.786 0 U 3.129e+07 0.00e+00 a 0 947 604 1102 0 # HB2 P14 777 4.587 63.223 3.801 0 U 6.962e+06 0.00e+00 a 0 947 604 1176 0 # HD3 P14 778 4.587 63.223 5.067 0 U 4.313e+07 0.00e+00 a 0 947 604 973 0 # HA L41 779 4.587 63.223 1.576 0 U 5.892e+06 0.00e+00 a 0 947 604 1262 0 # HB3 L41 780 4.587 63.223 1.420 0 U 1.470e+07 0.00e+00 a 0 947 604 1031 0 # HB2 L41 781 4.587 63.223 2.065 0 U 1.308e+07 0.00e+00 a 0 947 604 1058 0 # HG3 P14 782 4.587 63.223 0.654 0 U 8.653e+07 0.00e+00 a 0 947 604 1281 0 # HD2 L41 783 2.513 27.016 1.908 0 U 8.924e+06 0.00e+00 a 0 1293 1220 1100 0 # HB2 P10 784 2.513 27.016 2.079 0 U 2.884e+07 0.00e+00 a 0 1293 1220 1448 0 # HG2 P44 785 2.513 27.016 0.975 0 U 5.490e+06 0.00e+00 a 0 1293 1220 1272 0 # HG1 V13 786 2.513 27.016 4.084 0 U 1.131e+07 0.00e+00 a 0 1293 1220 1352 0 # HD3 P44 787 2.513 27.016 4.417 0 U 5.275e+06 0.00e+00 a 0 1293 1220 975 0 # HA P44 788 2.513 27.016 4.053 0 U 8.762e+06 0.00e+00 a 0 1293 1220 1294 0 # HD2 P44 789 2.513 27.016 0.793 0 U 2.608e+06 0.00e+00 a 0 1293 1220 1270 0 # HG2 V13 790 2.513 27.016 2.270 0 U 2.065e+07 0.00e+00 a 0 1293 1220 1134 0 # HB3 P44 791 2.513 27.016 3.988 0 U 7.243e+06 0.00e+00 a 0 1293 1220 946 0 # HA L12 792 2.513 27.016 2.112 0 U 3.469e+07 0.00e+00 a 0 1293 1220 1111 0 # HB2 P44 793 3.579 61.341 0.853 0 U 6.055e+07 0.00e+00 a 0 963 303 1030 0 # HB A39 794 3.579 61.341 4.048 0 U 1.150e+07 0.00e+00 a 0 963 303 964 0 # HA E31 795 3.579 61.341 5.970 0 U 4.252e+07 0.00e+00 a 0 963 303 985 0 # HA F56 796 3.579 61.341 2.952 0 U 2.409e+07 0.00e+00 a 0 963 303 1129 0 # HB3 C30 797 3.579 61.341 2.638 0 U 3.510e+07 0.00e+00 a 0 963 303 1106 0 # HB2 C30 798 3.999 59.116 0.850 0 U 2.315e+07 0.00e+00 a 0 979 348 1200 0 # HG2 I47 799 3.999 59.116 1.966 0 U 1.280e+08 0.00e+00 a 0 979 348 1034 0 # HB K48 800 3.999 59.116 1.453 0 U 2.217e+07 0.00e+00 a 0 979 348 1066 0 # HG2 K48 801 3.999 59.116 1.819 0 U 7.091e+06 0.00e+00 a 0 979 348 1033 0 # HB I47 802 3.999 59.116 1.568 0 U 2.530e+07 0.00e+00 a 0 979 348 1076 0 # HG3 K48 803 3.999 59.116 3.728 0 U 5.867e+06 0.00e+00 a 0 979 348 978 0 # HA I47 804 3.999 59.116 1.673 0 U 1.850e+07 0.00e+00 a 0 979 348 1414 0 # HD K48 805 3.539 55.255 1.377 0 U 1.283e+08 0.00e+00 a 0 995 374 1044 0 # HB A67 806 3.539 55.255 2.763 0 U 3.320e+07 0.00e+00 a 0 995 374 1418 0 # HE K70 807 3.539 55.255 0.971 0 U 5.579e+07 0.00e+00 a 0 995 374 1141 0 # HB3 K70 808 3.539 55.255 -0.521 0 U 4.018e+06 0.00e+00 a 0 995 374 1119 0 # HB2 K70 809 3.539 55.255 4.156 0 U 5.761e+06 0.00e+00 a 0 995 374 996 0 # HA T68 810 3.539 55.255 0.454 0 U 7.328e+06 0.00e+00 a 0 995 374 1419 0 # HG2 K70 811 2.474 41.383 4.497 0 U 4.301e+06 0.00e+00 a 0 1012 545 944 0 # HA P10 812 2.474 41.383 4.578 0 U 4.471e+07 0.00e+00 a 0 1012 545 943 0 # HA D8 813 3.636 68.476 3.867 0 U 6.538e+07 0.00e+00 a 0 1032 575 976 0 # HA T45 814 3.636 68.476 0.710 0 U 7.515e+07 0.00e+00 a 0 1032 575 1157 0 # HG2 T45 815 3.636 68.476 2.270 0 U 3.013e+06 0.00e+00 a 0 1032 575 1134 0 # HB3 P44 816 3.067 30.663 3.848 0 U 1.022e+07 0.00e+00 a 0 1377 318 992 0 # HA K63 817 3.067 30.663 3.141 0 U 5.077e+07 0.00e+00 a 0 1377 318 1368 0 # HB3 W66 818 3.067 30.663 4.126 0 U 7.711e+06 0.00e+00 a 0 1377 318 994 0 # HA W66 819 1.316 24.985 2.069 0 U 4.078e+07 0.00e+00 a 0 1403 1218 1132 0 # HB3 K40 820 1.316 24.985 2.897 0 U 2.190e+07 0.00e+00 a 0 1403 1218 1084 0 # HE K40 821 1.316 24.985 1.582 0 U 1.003e+08 0.00e+00 a 0 1403 1218 1109 0 # HB2 K40 822 1.316 24.985 1.635 0 U 1.257e+08 0.00e+00 a 0 1403 1218 1074 0 # HD K40 823 1.316 24.985 4.481 0 U 2.283e+07 0.00e+00 a 0 1403 1218 972 0 # HA K40 824 1.598 27.047 1.298 0 U 5.251e+07 0.00e+00 a 0 1070 1229 1264 0 # HB2 L72 825 1.598 27.047 3.917 0 U 2.126e+07 0.00e+00 a 0 1070 1229 1000 0 # HA L72 826 1.598 27.047 0.791 0 U 2.695e+07 0.00e+00 a 0 1070 1229 1278 0 # HD2 L72 827 1.598 27.047 1.361 0 U 8.634e+07 0.00e+00 a 0 1070 1229 1046 0 # HB3 L72 828 1.598 27.047 0.792 0 U 2.695e+07 0.00e+00 a 0 1070 1229 1079 0 # HD1 L72 829 2.890 41.837 1.865 0 U 2.573e+07 0.00e+00 a 0 1086 1246 1042 0 # HB K63 830 1.786 32.241 2.372 0 U 5.808e+07 0.00e+00 a 0 1102 606 1126 0 # HB3 P14 831 1.786 32.241 3.627 0 U 7.887e+06 0.00e+00 a 0 1102 606 1174 0 # HD2 P14 832 1.786 32.241 1.910 0 U 1.710e+08 0.00e+00 a 0 1102 606 1399 0 # HG2 P14 833 1.786 32.241 0.793 0 U 4.615e+06 0.00e+00 a 0 1102 606 1270 0 # HG2 V13 834 1.786 32.241 4.587 0 U 1.408e+07 0.00e+00 a 0 1102 606 947 0 # HA P14 835 1.786 32.241 3.801 0 U 8.273e+06 0.00e+00 a 0 1102 606 1176 0 # HD3 P14 836 1.786 32.241 2.065 0 U 3.634e+07 0.00e+00 a 0 1102 606 1058 0 # HG3 P14 837 1.273 29.562 1.871 0 U 5.899e+07 0.00e+00 a 0 1107 310 1130 0 # HB3 E31 838 1.273 29.562 4.048 0 U 9.574e+06 0.00e+00 a 0 1107 310 964 0 # HA E31 839 1.273 29.562 2.266 0 U 1.137e+07 0.00e+00 a 0 1107 310 1154 0 # HG2 E31 840 1.273 29.562 2.485 0 U 1.343e+07 0.00e+00 a 0 1107 310 1170 0 # HG3 E31 841 2.997 28.125 3.890 0 U 1.276e+07 0.00e+00 a 0 1123 305 977 0 # HA C46 842 2.997 28.125 3.122 0 U 4.746e+07 0.00e+00 a 0 1123 305 1364 0 # HB3 C46 843 2.997 28.125 0.931 0 U 4.616e+06 0.00e+00 a 0 1123 305 1158 0 # HG2 I51 844 2.997 28.125 1.000 0 U 4.871e+06 0.00e+00 a 0 1123 305 1167 0 # HD1 I51 845 2.997 28.125 4.261 0 U 6.669e+06 0.00e+00 a 0 1123 305 1001 0 # HA H73 846 2.997 28.125 1.819 0 U 9.047e+06 0.00e+00 a 0 1123 305 1036 0 # HB I51 847 2.835 40.827 2.563 0 U 1.623e+07 0.00e+00 a 0 1139 362 1116 0 # HB2 F62 848 2.835 40.827 0.336 0 U 7.584e+06 0.00e+00 a 0 1139 362 1072 0 # HD1 L12 849 2.835 40.827 3.819 0 U 1.095e+07 0.00e+00 a 0 1139 362 988 0 # HA Q59 850 1.197 22.991 4.817 0 U 4.687e+06 0.00e+00 a 0 1155 1194 993 0 # HA S65 851 1.197 22.991 2.852 0 U 2.784e+07 0.00e+00 a 0 1155 1194 1131 0 # HB3 C35 852 1.197 22.991 4.218 0 U 3.199e+07 0.00e+00 a 0 1155 1194 1147 0 # HB3 S65 853 1.197 22.991 0.898 0 U 4.148e+05 0.00e+00 a 0 1155 1194 1168 0 # HD1 L71 854 1.197 22.991 4.226 0 U 3.199e+07 0.00e+00 a 0 1155 1194 965 0 # HA T32 855 1.197 22.991 2.435 0 U 3.548e+07 0.00e+00 a 0 1155 1194 1108 0 # HB2 C35 856 1.197 22.991 2.685 0 U 1.024e+07 0.00e+00 a 0 1155 1194 1026 0 # HB D33 857 1.197 22.991 4.508 0 U 4.362e+07 0.00e+00 a 0 1155 1194 1025 0 # HB T32 858 1.197 22.991 4.077 0 U 1.132e+07 0.00e+00 a 0 1155 1194 1117 0 # HB2 S65 859 1.197 22.991 4.524 0 U 4.578e+07 0.00e+00 a 0 1155 1194 967 0 # HA C35 860 2.326 36.279 1.925 0 U 5.015e+07 0.00e+00 a 0 1171 1217 1363 0 # HB3 E38 861 2.326 36.279 4.176 0 U 1.944e+07 0.00e+00 a 0 1171 1217 970 0 # HA E38 862 2.326 36.279 1.811 0 U 2.419e+07 0.00e+00 a 0 1171 1217 1373 0 # HB2 E38 863 2.326 36.279 2.055 0 U 1.950e+08 0.00e+00 a 0 1171 1217 1156 0 # HG2 E38 864 4.105 65.052 4.548 0 U 2.645e+07 0.00e+00 a 0 1268 383 987 0 # HA S58 865 4.105 65.052 4.201 0 U 8.465e+07 0.00e+00 a 0 1268 383 1040 0 # HB3 S58 866 4.747 56.899 0.922 0 U 1.025e+08 0.00e+00 a 0 968 392 1162 0 # HG1 V29 867 4.747 56.899 3.891 0 U 1.418e+08 0.00e+00 a 0 968 392 1027 0 # HB S36 868 4.747 56.899 2.952 0 U 4.464e+06 0.00e+00 a 0 968 392 1129 0 # HB3 C30 869 4.747 56.899 0.822 0 U 2.266e+07 0.00e+00 a 0 968 392 1149 0 # HG2 V29 870 4.747 56.899 1.767 0 U 7.277e+06 0.00e+00 a 0 968 392 1024 0 # HB V29 871 5.314 54.500 0.853 0 U 1.052e+07 0.00e+00 a 0 984 406 1030 0 # HB A39 872 5.314 54.500 2.556 0 U 2.532e+07 0.00e+00 a 0 984 406 1375 0 # HB2 Y55 873 5.314 54.500 0.371 0 U 5.271e+06 0.00e+00 a 0 984 406 1166 0 # HD1 I15 874 5.314 54.500 2.642 0 U 2.929e+07 0.00e+00 a 0 984 406 1366 0 # HB3 Y55 875 5.314 54.500 6.910 0 U 2.631e+07 0.00e+00 a 0 984 406 1304 0 # HD Y55 876 3.917 56.835 1.298 0 U 7.140e+07 0.00e+00 a 0 1000 365 1264 0 # HB2 L72 877 3.917 56.835 1.598 0 U 2.935e+07 0.00e+00 a 0 1000 365 1070 0 # HG L72 878 3.917 56.835 1.361 0 U 7.621e+07 0.00e+00 a 0 1000 365 1046 0 # HB3 L72 879 3.917 56.835 0.792 0 U 1.001e+08 0.00e+00 a 0 1000 365 1079 0 # HD1 L72 880 2.642 39.379 0.853 0 U 1.486e+07 0.00e+00 a 0 1366 341 1030 0 # HB A39 881 2.642 39.379 2.556 0 U 6.552e+07 0.00e+00 a 0 1366 341 1375 0 # HB2 Y55 882 2.642 39.379 5.314 0 U 8.280e+06 0.00e+00 a 0 1366 341 984 0 # HA Y55 883 2.642 39.379 6.910 0 U 1.114e+07 0.00e+00 a 0 1366 341 1304 0 # HD Y55 884 3.880 61.628 2.823 0 U 3.647e+06 0.00e+00 a 0 1038 367 1385 0 # HB2 C43 885 3.880 61.628 4.338 0 U 3.698e+07 0.00e+00 a 0 1038 367 1384 0 # HA C43 886 3.880 61.628 3.201 0 U 7.384e+06 0.00e+00 a 0 1038 367 1383 0 # HB3 C43 887 3.880 61.628 4.243 0 U 4.027e+07 0.00e+00 a 0 1038 367 983 0 # HA S54 888 3.201 30.249 -0.624 0 U 2.853e+06 0.00e+00 a 0 1383 573 1057 0 # HD2 L12 889 3.201 30.249 2.823 0 U 3.210e+07 0.00e+00 a 0 1383 573 1385 0 # HB2 C43 890 3.201 30.249 4.338 0 U 1.081e+07 0.00e+00 a 0 1383 573 1384 0 # HA C43 891 3.201 30.249 3.880 0 U 7.410e+06 0.00e+00 a 0 1383 573 1038 0 # HB S54 892 3.201 30.249 4.243 0 U 5.647e+06 0.00e+00 a 0 1383 573 983 0 # HA S54 893 0.738 26.625 4.548 0 U 3.040e+07 0.00e+00 a 0 1075 1181 987 0 # HA S58 894 0.738 26.625 1.919 0 U 4.281e+06 0.00e+00 a 0 1075 1181 1407 0 # HG3 Q42 895 0.738 26.625 0.336 0 U 3.623e+07 0.00e+00 a 0 1075 1181 1072 0 # HD1 L12 896 0.738 26.625 5.446 0 U 8.145e+05 0.00e+00 a 0 1075 1181 974 0 # HA Q42 897 0.738 26.625 1.402 0 U 4.949e+07 0.00e+00 a 0 1075 1181 1065 0 # HG L41 898 0.738 26.625 5.067 0 U 8.883e+06 0.00e+00 a 0 1075 1181 973 0 # HA L41 899 0.738 26.625 2.141 0 U 4.704e+06 0.00e+00 a 0 1075 1181 1133 0 # HB3 Q42 900 0.738 26.625 1.576 0 U 6.401e+07 0.00e+00 a 0 1075 1181 1262 0 # HB3 L41 901 0.738 26.625 1.420 0 U 6.983e+07 0.00e+00 a 0 1075 1181 1031 0 # HB2 L41 902 0.738 26.625 0.654 0 U 1.800e+08 0.00e+00 a 0 1075 1181 1281 0 # HD2 L41 903 0.738 26.625 3.819 0 U 3.057e+06 0.00e+00 a 0 1075 1181 988 0 # HA Q59 904 1.504 25.075 3.848 0 U 8.417e+06 0.00e+00 a 0 1415 1226 992 0 # HA K63 905 1.504 25.075 1.865 0 U 3.682e+07 0.00e+00 a 0 1415 1226 1042 0 # HB K63 906 3.772 45.971 4.042 0 U 6.467e+07 0.00e+00 a 0 1091 386 1095 0 # HA3 G50 907 2.208 45.777 -0.624 0 U 3.842e+06 0.00e+00 a 0 1112 378 1057 0 # HD2 L12 908 2.208 45.777 7.675 0 U 2.620e+06 0.00e+00 a 0 1112 378 1328 0 # HD F62 909 2.208 45.777 0.336 0 U 8.030e+06 0.00e+00 a 0 1112 378 1072 0 # HD1 L12 910 2.208 45.777 3.068 0 U 3.329e+07 0.00e+00 a 0 1112 378 1135 0 # HB3 F56 911 2.208 45.777 5.970 0 U 2.290e+06 0.00e+00 a 0 1112 378 985 0 # HA F56 912 2.208 45.777 5.978 0 U 2.290e+06 0.00e+00 a 0 1112 378 1332 0 # HD F56 913 2.208 45.777 7.293 0 U 1.932e+06 0.00e+00 a 0 1112 378 1330 0 # HZ F56 914 1.578 31.172 4.406 0 U 1.127e+07 0.00e+00 a 0 1128 316 961 0 # HA R28 915 1.578 31.172 0.853 0 U 6.667e+06 0.00e+00 a 0 1128 316 1030 0 # HB A39 916 1.578 31.172 1.396 0 U 6.076e+07 0.00e+00 a 0 1128 316 1105 0 # HB2 R28 917 1.578 31.172 1.102 0 U 1.413e+07 0.00e+00 a 0 1128 316 1153 0 # HG2 R28 918 1.578 31.172 1.258 0 U 1.662e+07 0.00e+00 a 0 1128 316 1169 0 # HG3 R28 919 1.578 31.172 2.357 0 U 5.098e+06 0.00e+00 a 0 1128 316 1073 0 # HD2 R28 920 1.578 31.172 2.458 0 U 6.924e+06 0.00e+00 a 0 1128 316 1288 0 # HD3 R28 921 1.703 32.774 3.961 0 U 1.866e+07 0.00e+00 a 0 1144 353 1002 0 # HA K74 922 1.703 32.774 1.392 0 U 1.305e+08 0.00e+00 a 0 1144 353 1122 0 # HB2 K74 923 1.703 32.774 3.747 0 U 1.084e+07 0.00e+00 a 0 1144 353 999 0 # HA L71 924 2.250 36.459 2.384 0 U 4.243e+08 0.00e+00 a 0 1160 1225 1173 0 # HG3 E60 925 2.250 36.459 3.926 0 U 1.241e+07 0.00e+00 a 0 1160 1225 989 0 # HA E60 926 3.801 50.835 2.372 0 U 1.329e+07 0.00e+00 a 0 1176 1234 1126 0 # HB3 P14 927 3.801 50.835 3.627 0 U 8.609e+07 0.00e+00 a 0 1176 1234 1174 0 # HD2 P14 928 3.801 50.835 0.975 0 U 1.134e+07 0.00e+00 a 0 1176 1234 1272 0 # HG1 V13 929 3.801 50.835 1.910 0 U 1.791e+07 0.00e+00 a 0 1176 1234 1399 0 # HG2 P14 930 3.801 50.835 0.793 0 U 6.169e+06 0.00e+00 a 0 1176 1234 1270 0 # HG2 V13 931 3.801 50.835 4.890 0 U 4.396e+07 0.00e+00 a 0 1176 1234 1285 0 # HA V13 932 3.801 50.835 4.587 0 U 3.846e+06 0.00e+00 a 0 1176 1234 947 0 # HA P14 933 3.801 50.835 1.786 0 U 9.472e+06 0.00e+00 a 0 1176 1234 1102 0 # HB2 P14 934 3.801 50.835 2.275 0 U 2.190e+07 0.00e+00 a 0 1176 1234 1282 0 # HB V13 935 3.801 50.835 2.065 0 U 2.035e+07 0.00e+00 a 0 1176 1234 1058 0 # HG3 P14 936 0.791 23.218 3.926 0 U 9.188e+07 0.00e+00 a 0 1278 1255 997 0 # HA H69 937 0.791 23.218 1.298 0 U 4.609e+07 0.00e+00 a 0 1278 1255 1264 0 # HB2 L72 938 0.791 23.218 1.598 0 U 6.260e+07 0.00e+00 a 0 1278 1255 1070 0 # HG L72 939 0.791 23.218 1.361 0 U 4.538e+07 0.00e+00 a 0 1278 1255 1046 0 # HB3 L72 940 2.275 32.625 3.627 0 U 3.578e+07 0.00e+00 a 0 1282 579 1174 0 # HD2 P14 941 2.275 32.625 0.975 0 U 5.476e+07 0.00e+00 a 0 1282 579 1272 0 # HG1 V13 942 2.275 32.625 0.793 0 U 4.314e+07 0.00e+00 a 0 1282 579 1270 0 # HG2 V13 943 2.275 32.625 4.890 0 U 2.934e+07 0.00e+00 a 0 1282 579 1285 0 # HA V13 944 2.275 32.625 3.801 0 U 2.354e+07 0.00e+00 a 0 1282 579 1176 0 # HD3 P14 945 5.067 53.763 1.245 0 U 2.280e+07 0.00e+00 a 0 973 347 1163 0 # HG13 I15 946 5.067 53.763 0.336 0 U 7.513e+06 0.00e+00 a 0 973 347 1072 0 # HD1 L12 947 5.067 53.763 3.914 0 U 2.420e+06 0.00e+00 a 0 973 347 948 0 # HA I15 948 5.067 53.763 6.698 0 U 5.191e+05 0.00e+00 a 0 973 347 1316 0 # HE Y55 949 5.067 53.763 5.446 0 U 3.244e+06 0.00e+00 a 0 973 347 974 0 # HA Q42 950 5.067 53.763 1.402 0 U 1.399e+07 0.00e+00 a 0 973 347 1065 0 # HG L41 951 5.067 53.763 0.697 0 U 4.035e+07 0.00e+00 a 0 973 347 1150 0 # HG2 I15 952 5.067 53.763 0.371 0 U 7.723e+06 0.00e+00 a 0 973 347 1166 0 # HD1 I15 953 5.067 53.763 4.587 0 U 4.522e+07 0.00e+00 a 0 973 347 947 0 # HA P14 954 5.067 53.763 0.738 0 U 1.855e+07 0.00e+00 a 0 973 347 1075 0 # HD1 L41 955 5.067 53.763 6.910 0 U 7.771e+05 0.00e+00 a 0 973 347 1304 0 # HD Y55 956 5.067 53.763 1.576 0 U 2.845e+07 0.00e+00 a 0 973 347 1262 0 # HB3 L41 957 5.067 53.763 1.420 0 U 4.208e+07 0.00e+00 a 0 973 347 1031 0 # HB2 L41 958 5.067 53.763 0.654 0 U 6.018e+07 0.00e+00 a 0 973 347 1281 0 # HD2 L41 959 5.067 53.763 4.481 0 U 6.744e+06 0.00e+00 a 0 973 347 972 0 # HA K40 960 3.926 60.201 2.772 0 U 2.271e+07 0.00e+00 a 0 989 357 1115 0 # HB2 C61 961 3.926 60.201 2.384 0 U 1.887e+07 0.00e+00 a 0 989 357 1173 0 # HG3 E60 962 3.926 60.201 2.021 0 U 5.327e+07 0.00e+00 a 0 989 357 1367 0 # HB3 E60 963 3.926 60.201 2.250 0 U 3.819e+07 0.00e+00 a 0 989 357 1160 0 # HG2 E60 964 3.926 60.201 1.928 0 U 8.092e+07 0.00e+00 a 0 989 357 1376 0 # HB2 E60 965 3.926 60.201 3.168 0 U 3.968e+07 0.00e+00 a 0 989 357 1138 0 # HB3 C61 966 2.490 36.007 7.296 0 U 5.277e+06 0.00e+00 a 0 1339 1204 1298 0 # HZ2 W66 967 4.508 67.974 2.852 0 U 3.292e+07 0.00e+00 a 0 1025 324 1131 0 # HB3 C35 968 4.508 67.974 4.226 0 U 2.575e+07 0.00e+00 a 0 1025 324 965 0 # HA T32 969 4.508 67.974 2.435 0 U 2.500e+07 0.00e+00 a 0 1025 324 1108 0 # HB2 C35 970 4.508 67.974 1.197 0 U 5.807e+07 0.00e+00 a 0 1025 324 1155 0 # HG2 T32 971 1.361 41.465 1.298 0 U 1.266e+08 0.00e+00 a 0 1046 364 1264 0 # HB2 L72 972 1.361 41.465 1.598 0 U 2.692e+07 0.00e+00 a 0 1046 364 1070 0 # HG L72 973 1.361 41.465 3.917 0 U 2.034e+07 0.00e+00 a 0 1046 364 1000 0 # HA L72 974 1.361 41.465 0.791 0 U 1.544e+07 0.00e+00 a 0 1046 364 1278 0 # HD2 L72 975 1.361 41.465 0.792 0 U 1.544e+07 0.00e+00 a 0 1046 364 1079 0 # HD1 L72 976 1.270 26.990 -0.624 0 U 1.460e+07 0.00e+00 a 0 1397 1207 1057 0 # HD2 L12 977 1.270 26.990 0.336 0 U 1.984e+07 0.00e+00 a 0 1397 1207 1072 0 # HD1 L12 978 1.270 26.990 1.553 0 U 5.161e+07 0.00e+00 a 0 1397 1207 1125 0 # HB3 L12 979 1.270 26.990 3.988 0 U 5.628e+06 0.00e+00 a 0 1397 1207 946 0 # HA L12 980 1.270 26.990 1.291 0 U 1.536e+08 0.00e+00 a 0 1397 1207 1101 0 # HB2 L12 981 1.522 29.051 2.897 0 U 5.101e+07 0.00e+00 a 0 1080 1240 1087 0 # HE K74 982 1.522 29.051 1.267 0 U 1.208e+08 0.00e+00 a 0 1080 1240 1425 0 # HG K74 983 1.522 29.051 3.747 0 U 5.184e+06 0.00e+00 a 0 1080 1240 999 0 # HA L71 984 1.522 29.051 0.717 0 U 8.444e+06 0.00e+00 a 0 1080 1240 1175 0 # HD2 L71 985 0.966 29.119 2.763 0 U 3.957e+07 0.00e+00 a 0 1420 1417 1418 0 # HE K70 986 0.966 29.119 0.454 0 U 5.658e+07 0.00e+00 a 0 1420 1417 1419 0 # HG2 K70 987 3.849 45.583 6.698 0 U 4.133e+06 0.00e+00 a 0 1096 403 1316 0 # HE Y55 988 3.849 45.583 3.256 0 U 6.754e+07 0.00e+00 a 0 1096 403 1092 0 # HA2 G53 989 4.077 64.212 4.817 0 U 2.037e+07 0.00e+00 a 0 1117 376 993 0 # HA S65 990 4.077 64.212 4.218 0 U 1.283e+08 0.00e+00 a 0 1117 376 1147 0 # HB3 S65 991 4.077 64.212 1.197 0 U 8.492e+06 0.00e+00 a 0 1117 376 1155 0 # HG2 T32 992 2.141 33.355 0.730 0 U 3.618e+06 0.00e+00 a 0 1133 333 1188 0 # HD1 I47 993 2.141 33.355 5.446 0 U 4.290e+06 0.00e+00 a 0 1133 333 974 0 # HA Q42 994 2.141 33.355 0.738 0 U 3.618e+06 0.00e+00 a 0 1133 333 1075 0 # HD1 L41 995 0.822 21.363 4.406 0 U 8.696e+06 0.00e+00 a 0 1149 1193 961 0 # HA R28 996 0.822 21.363 4.176 0 U 1.618e+07 0.00e+00 a 0 1149 1193 970 0 # HA E38 997 0.822 21.363 0.922 0 U 4.392e+08 0.00e+00 a 0 1149 1193 1162 0 # HG1 V29 998 0.822 21.363 4.747 0 U 1.456e+07 0.00e+00 a 0 1149 1193 968 0 # HA S36 999 0.822 21.363 4.069 0 U 6.230e+07 0.00e+00 a 0 1149 1193 962 0 # HA V29 1000 0.822 21.363 1.767 0 U 1.089e+08 0.00e+00 a 0 1149 1193 1024 0 # HB V29 1001 1.500 27.405 0.931 0 U 2.007e+07 0.00e+00 a 0 1165 1260 1158 0 # HG2 I51 1002 1.500 27.405 4.006 0 U 9.948e+06 0.00e+00 a 0 1165 1260 981 0 # HA I51 1003 1.500 27.405 1.000 0 U 5.306e+07 0.00e+00 a 0 1165 1260 1167 0 # HD1 I51 1004 1.500 27.405 1.819 0 U 1.277e+07 0.00e+00 a 0 1165 1260 1036 0 # HB I51 1005 1.576 48.135 0.336 0 U 7.788e+06 0.00e+00 a 0 1262 346 1072 0 # HD1 L12 1006 1.576 48.135 1.402 0 U 9.165e+06 0.00e+00 a 0 1262 346 1065 0 # HG L41 1007 1.576 48.135 0.371 0 U 4.060e+06 0.00e+00 a 0 1262 346 1166 0 # HD1 I15 1008 1.576 48.135 4.587 0 U 1.504e+06 0.00e+00 a 0 1262 346 947 0 # HA P14 1009 1.576 48.135 0.738 0 U 1.386e+07 0.00e+00 a 0 1262 346 1075 0 # HD1 L41 1010 1.576 48.135 5.067 0 U 6.530e+06 0.00e+00 a 0 1262 346 973 0 # HA L41 1011 1.576 48.135 1.420 0 U 2.915e+07 0.00e+00 a 0 1262 346 1031 0 # HB2 L41 1012 1.576 48.135 0.654 0 U 1.142e+07 0.00e+00 a 0 1262 346 1281 0 # HD2 L41 1013 3.988 55.010 -0.624 0 U 5.073e+07 0.00e+00 a 0 946 565 1057 0 # HD2 L12 1014 3.988 55.010 0.975 0 U 6.171e+06 0.00e+00 a 0 946 565 1272 0 # HG1 V13 1015 3.988 55.010 0.336 0 U 8.531e+06 0.00e+00 a 0 946 565 1072 0 # HD1 L12 1016 3.988 55.010 1.553 0 U 2.080e+07 0.00e+00 a 0 946 565 1125 0 # HB3 L12 1017 3.988 55.010 0.793 0 U 8.961e+06 0.00e+00 a 0 946 565 1270 0 # HG2 V13 1018 3.988 55.010 4.338 0 U 1.706e+07 0.00e+00 a 0 946 565 1384 0 # HA C43 1019 3.988 55.010 2.513 0 U 6.087e+06 0.00e+00 a 0 946 565 1293 0 # HG3 P44 1020 3.988 55.010 1.270 0 U 4.921e+06 0.00e+00 a 0 946 565 1397 0 # HG L12 1021 3.988 55.010 1.291 0 U 3.218e+07 0.00e+00 a 0 946 565 1101 0 # HB2 L12 1022 4.069 61.434 0.922 0 U 5.519e+07 0.00e+00 a 0 962 335 1162 0 # HG1 V29 1023 4.069 61.434 0.793 0 U 1.756e+07 0.00e+00 a 0 962 335 1270 0 # HG2 V13 1024 4.069 61.434 0.822 0 U 5.845e+07 0.00e+00 a 0 962 335 1149 0 # HG2 V29 1025 4.069 61.434 1.767 0 U 3.497e+07 0.00e+00 a 0 962 335 1024 0 # HB V29 1026 3.728 65.034 0.955 0 U 3.900e+07 0.00e+00 a 0 978 369 1164 0 # HG12 I47 1027 3.728 65.034 0.850 0 U 5.560e+07 0.00e+00 a 0 978 369 1200 0 # HG2 I47 1028 3.728 65.034 1.723 0 U 2.662e+07 0.00e+00 a 0 978 369 1295 0 # HG13 I47 1029 3.728 65.034 1.819 0 U 2.816e+07 0.00e+00 a 0 978 369 1033 0 # HB I47 1030 3.728 65.034 0.730 0 U 2.271e+07 0.00e+00 a 0 978 369 1188 0 # HD1 I47 1031 3.728 65.034 3.999 0 U 8.286e+06 0.00e+00 a 0 978 369 979 0 # HA K48 1032 4.126 59.719 3.926 0 U 1.152e+07 0.00e+00 a 0 994 319 997 0 # HA H69 1033 4.126 59.719 3.159 0 U 4.756e+07 0.00e+00 a 0 994 319 1140 0 # HB3 H69 1034 4.126 59.719 2.769 0 U 3.071e+07 0.00e+00 a 0 994 319 1118 0 # HB2 H69 1035 4.126 59.719 3.067 0 U 3.432e+07 0.00e+00 a 0 994 319 1377 0 # HB2 W66 1036 2.082 31.362 7.296 0 U 4.436e+06 0.00e+00 a 0 1011 581 1298 0 # HZ2 W66 1037 1.420 48.135 0.336 0 U 1.004e+07 0.00e+00 a 0 1031 346 1072 0 # HD1 L12 1038 1.420 48.135 1.402 0 U 3.231e+07 0.00e+00 a 0 1031 346 1065 0 # HG L41 1039 1.420 48.135 4.587 0 U 3.000e+05 0.00e+00 a 0 1031 346 947 0 # HA P14 1040 1.420 48.135 0.738 0 U 1.377e+07 0.00e+00 a 0 1031 346 1075 0 # HD1 L41 1041 1.420 48.135 5.067 0 U 5.959e+06 0.00e+00 a 0 1031 346 973 0 # HA L41 1042 1.420 48.135 1.576 0 U 3.695e+07 0.00e+00 a 0 1031 346 1262 0 # HB3 L41 1043 1.420 48.135 0.654 0 U 1.251e+07 0.00e+00 a 0 1031 346 1281 0 # HD2 L41 1044 1.928 29.055 3.926 0 U 1.918e+07 0.00e+00 a 0 1376 356 989 0 # HA E60 1045 1.416 25.075 3.848 0 U 8.720e+06 0.00e+00 a 0 1069 1226 992 0 # HA K63 1046 1.416 25.075 1.865 0 U 4.611e+07 0.00e+00 a 0 1069 1226 1042 0 # HB K63 1047 2.945 41.926 0.718 0 U 1.808e+07 0.00e+00 a 0 1085 1245 1077 0 # HD1 L49 1048 2.945 41.926 1.453 0 U 4.968e+07 0.00e+00 a 0 1085 1245 1066 0 # HG2 K48 1049 2.945 41.926 0.793 0 U 1.907e+07 0.00e+00 a 0 1085 1245 1270 0 # HG2 V13 1050 2.945 41.926 1.568 0 U 3.276e+07 0.00e+00 a 0 1085 1245 1076 0 # HG3 K48 1051 2.945 41.926 1.673 0 U 1.361e+08 0.00e+00 a 0 1085 1245 1414 0 # HD K48 1052 1.291 44.620 -0.624 0 U 9.089e+06 0.00e+00 a 0 1101 564 1057 0 # HD2 L12 1053 1.291 44.620 0.336 0 U 1.232e+07 0.00e+00 a 0 1101 564 1072 0 # HD1 L12 1054 1.291 44.620 1.553 0 U 3.459e+07 0.00e+00 a 0 1101 564 1125 0 # HB3 L12 1055 1.291 44.620 1.270 0 U 2.736e+07 0.00e+00 a 0 1101 564 1397 0 # HG L12 1056 1.291 44.620 3.988 0 U 7.125e+06 0.00e+00 a 0 1101 564 946 0 # HA L12 1057 1.291 44.620 3.819 0 U 8.909e+05 0.00e+00 a 0 1101 564 988 0 # HA Q59 1058 2.638 31.509 0.853 0 U 6.556e+06 0.00e+00 a 0 1106 302 1030 0 # HB A39 1059 2.638 31.509 5.970 0 U 2.279e+06 0.00e+00 a 0 1106 302 985 0 # HA F56 1060 2.638 31.509 2.952 0 U 5.834e+07 0.00e+00 a 0 1106 302 1129 0 # HB3 C30 1061 2.638 31.509 3.579 0 U 1.473e+07 0.00e+00 a 0 1106 302 963 0 # HA C30 1062 1.392 32.774 3.961 0 U 1.562e+07 0.00e+00 a 0 1122 353 1002 0 # HA K74 1063 1.392 32.774 1.267 0 U 4.248e+07 0.00e+00 a 0 1122 353 1425 0 # HG K74 1064 1.392 32.774 1.703 0 U 1.315e+08 0.00e+00 a 0 1122 353 1144 0 # HB3 K74 1065 1.392 32.774 3.747 0 U 5.645e+06 0.00e+00 a 0 1122 353 999 0 # HA L71 1066 3.168 31.181 2.772 0 U 6.471e+07 0.00e+00 a 0 1138 328 1115 0 # HB2 C61 1067 3.168 31.181 4.028 0 U 1.515e+07 0.00e+00 a 0 1138 328 990 0 # HA C61 1068 3.168 31.181 3.926 0 U 3.465e+06 0.00e+00 a 0 1138 328 989 0 # HA E60 1069 2.266 37.819 1.871 0 U 1.536e+07 0.00e+00 a 0 1154 1216 1130 0 # HB3 E31 1070 2.266 37.819 4.048 0 U 1.083e+07 0.00e+00 a 0 1154 1216 964 0 # HA E31 1071 2.266 37.819 1.273 0 U 1.369e+07 0.00e+00 a 0 1154 1216 1107 0 # HB2 E31 1072 2.266 37.819 2.485 0 U 1.017e+08 0.00e+00 a 0 1154 1216 1170 0 # HG3 E31 1073 2.485 37.819 1.871 0 U 1.566e+07 0.00e+00 a 0 1170 1216 1130 0 # HB3 E31 1074 2.485 37.819 4.048 0 U 1.113e+07 0.00e+00 a 0 1170 1216 964 0 # HA E31 1075 2.485 37.819 1.273 0 U 1.552e+07 0.00e+00 a 0 1170 1216 1107 0 # HB2 E31 1076 2.485 37.819 2.266 0 U 1.016e+08 0.00e+00 a 0 1170 1216 1154 0 # HG2 E31 1077 3.056 51.304 2.270 0 U 1.538e+07 0.00e+00 a 0 1267 1265 1291 0 # HG3 P10 1078 3.056 51.304 1.908 0 U 4.815e+06 0.00e+00 a 0 1267 1265 1100 0 # HB2 P10 1079 3.056 51.304 3.406 0 U 2.985e+07 0.00e+00 a 0 1267 1265 1266 0 # HD3 P10 1080 3.056 51.304 4.497 0 U 7.681e+05 0.00e+00 a 0 1267 1265 944 0 # HA P10 1081 3.056 51.304 1.914 0 U 4.815e+06 0.00e+00 a 0 1267 1265 1289 0 # HG2 P10 1082 3.056 51.304 1.173 0 U 1.833e+06 0.00e+00 a 0 1267 1265 1380 0 # HB2 C9 1083 3.056 51.304 2.167 0 U 6.296e+06 0.00e+00 a 0 1267 1265 1124 0 # HB3 P10 1084 3.056 51.304 2.256 0 U 1.537e+07 0.00e+00 a 0 1267 1265 1382 0 # HA C9 1085 4.524 59.040 2.852 0 U 3.105e+07 0.00e+00 a 0 967 327 1131 0 # HB3 C35 1086 4.524 59.040 3.891 0 U 5.510e+06 0.00e+00 a 0 967 327 1027 0 # HB S36 1087 4.524 59.040 2.435 0 U 5.280e+07 0.00e+00 a 0 967 327 1108 0 # HB2 C35 1088 4.524 59.040 1.197 0 U 1.012e+07 0.00e+00 a 0 967 327 1155 0 # HG2 T32 1089 4.243 56.450 2.823 0 U 6.136e+06 0.00e+00 a 0 983 366 1385 0 # HB2 C43 1090 4.243 56.450 3.880 0 U 4.381e+07 0.00e+00 a 0 983 366 1038 0 # HB S54 1091 4.243 56.450 3.201 0 U 8.095e+06 0.00e+00 a 0 983 366 1383 0 # HB3 C43 1092 3.747 56.701 1.669 0 U 4.455e+07 0.00e+00 a 0 999 340 1142 0 # HB3 L71 1093 3.747 56.701 1.387 0 U 3.103e+07 0.00e+00 a 0 999 340 1120 0 # HB2 L71 1094 3.747 56.701 0.898 0 U 1.380e+07 0.00e+00 a 0 999 340 1168 0 # HD1 L71 1095 3.747 56.701 1.614 0 U 3.944e+07 0.00e+00 a 0 999 340 1398 0 # HG L71 1096 3.747 56.701 1.703 0 U 3.501e+07 0.00e+00 a 0 999 340 1144 0 # HB3 K74 1097 3.747 56.701 1.522 0 U 1.338e+07 0.00e+00 a 0 999 340 1080 0 # HD K74 1098 3.747 56.701 1.392 0 U 3.103e+07 0.00e+00 a 0 999 340 1122 0 # HB2 K74 1099 3.747 56.701 0.717 0 U 8.145e+07 0.00e+00 a 0 999 340 1175 0 # HD2 L71 1100 3.747 56.701 0.454 0 U 5.769e+06 0.00e+00 a 0 999 340 1419 0 # HG2 K70 1101 2.084 29.221 1.939 0 U 3.101e+08 0.00e+00 a 0 1365 308 1374 0 # HB2 Q52 1102 2.084 29.221 4.247 0 U 2.222e+07 0.00e+00 a 0 1365 308 980 0 # HA L49 1103 2.084 29.221 2.371 0 U 3.043e+07 0.00e+00 a 0 1365 308 1172 0 # HG3 Q52 1104 2.084 29.221 2.353 0 U 3.043e+07 0.00e+00 a 0 1365 308 1159 0 # HG2 Q52 1105 1.819 38.855 3.122 0 U 1.936e+07 0.00e+00 a 0 1036 337 1364 0 # HB3 C46 1106 1.819 38.855 0.931 0 U 5.033e+07 0.00e+00 a 0 1036 337 1158 0 # HG2 I51 1107 1.819 38.855 4.006 0 U 1.349e+07 0.00e+00 a 0 1036 337 981 0 # HA I51 1108 1.819 38.855 1.000 0 U 5.578e+07 0.00e+00 a 0 1036 337 1167 0 # HD1 I51 1109 1.819 38.855 2.997 0 U 9.334e+06 0.00e+00 a 0 1036 337 1123 0 # HB2 C46 1110 1.819 38.855 1.500 0 U 1.791e+07 0.00e+00 a 0 1036 337 1165 0 # HG1 I51 1111 2.256 56.441 7.221 0 U 8.692e+06 0.00e+00 a 0 1382 550 1324 0 # HE3 W66 1112 2.256 56.441 3.406 0 U 3.633e+07 0.00e+00 a 0 1382 550 1266 0 # HD3 P10 1113 2.256 56.441 2.054 0 U 3.864e+07 0.00e+00 a 0 1382 550 1381 0 # HB3 C9 1114 2.256 56.441 1.914 0 U 7.370e+06 0.00e+00 a 0 1382 550 1289 0 # HG2 P10 1115 2.256 56.441 1.173 0 U 2.977e+07 0.00e+00 a 0 1382 550 1380 0 # HB2 C9 1116 2.256 56.441 7.428 0 U 5.179e+06 0.00e+00 a 0 1382 550 1322 0 # HH2 W66 1117 2.256 56.441 3.056 0 U 3.308e+07 0.00e+00 a 0 1382 550 1267 0 # HD2 P10 1118 2.256 56.441 7.296 0 U 7.368e+06 0.00e+00 a 0 1382 550 1298 0 # HZ2 W66 1119 2.065 27.764 2.372 0 U 2.334e+07 0.00e+00 a 0 1058 1208 1126 0 # HB3 P14 1120 2.065 27.764 3.627 0 U 1.851e+07 0.00e+00 a 0 1058 1208 1174 0 # HD2 P14 1121 2.065 27.764 1.910 0 U 1.035e+08 0.00e+00 a 0 1058 1208 1399 0 # HG2 P14 1122 2.065 27.764 4.890 0 U 4.383e+06 0.00e+00 a 0 1058 1208 1285 0 # HA V13 1123 2.065 27.764 4.587 0 U 6.173e+06 0.00e+00 a 0 1058 1208 947 0 # HA P14 1124 2.065 27.764 1.786 0 U 3.460e+07 0.00e+00 a 0 1058 1208 1102 0 # HB2 P14 1125 2.065 27.764 3.801 0 U 1.985e+07 0.00e+00 a 0 1058 1208 1176 0 # HD3 P14 1126 2.065 27.764 0.654 0 U 5.679e+06 0.00e+00 a 0 1058 1208 1281 0 # HD2 L41 1127 1.635 28.929 2.069 0 U 4.166e+07 0.00e+00 a 0 1074 1237 1132 0 # HB3 K40 1128 1.635 28.929 2.897 0 U 7.229e+07 0.00e+00 a 0 1074 1237 1084 0 # HE K40 1129 1.635 28.929 1.582 0 U 1.386e+09 0.00e+00 a 0 1074 1237 1109 0 # HB2 K40 1130 1.635 28.929 1.316 0 U 3.739e+07 0.00e+00 a 0 1074 1237 1403 0 # HG K40 1131 1.635 28.929 4.481 0 U 1.501e+07 0.00e+00 a 0 1074 1237 972 0 # HA K40 1132 1.673 29.198 3.867 0 U 1.251e+07 0.00e+00 a 0 1414 1238 976 0 # HA T45 1133 1.673 29.198 1.966 0 U 6.137e+07 0.00e+00 a 0 1414 1238 1034 0 # HB K48 1134 1.673 29.198 0.718 0 U 9.578e+06 0.00e+00 a 0 1414 1238 1077 0 # HD1 L49 1135 1.673 29.198 1.453 0 U 3.300e+08 0.00e+00 a 0 1414 1238 1066 0 # HG2 K48 1136 1.673 29.198 0.793 0 U 1.138e+07 0.00e+00 a 0 1414 1238 1270 0 # HG2 V13 1137 1.673 29.198 1.568 0 U 6.082e+08 0.00e+00 a 0 1414 1238 1076 0 # HG3 K48 1138 1.673 29.198 3.999 0 U 1.592e+07 0.00e+00 a 0 1414 1238 979 0 # HA K48 1139 1.673 29.198 2.945 0 U 7.301e+07 0.00e+00 a 0 1414 1238 1085 0 # HE K48 1140 3.591 45.115 4.235 0 U 3.991e+07 0.00e+00 a 0 1090 400 1094 0 # HA3 G34 1141 2.112 31.739 2.079 0 U 1.083e+08 0.00e+00 a 0 1111 609 1448 0 # HG2 P44 1142 2.112 31.739 0.975 0 U 1.044e+07 0.00e+00 a 0 1111 609 1272 0 # HG1 V13 1143 2.112 31.739 4.084 0 U 6.113e+06 0.00e+00 a 0 1111 609 1352 0 # HD3 P44 1144 2.112 31.739 4.417 0 U 1.416e+07 0.00e+00 a 0 1111 609 975 0 # HA P44 1145 2.112 31.739 0.793 0 U 1.068e+07 0.00e+00 a 0 1111 609 1270 0 # HG2 V13 1146 2.112 31.739 2.270 0 U 4.170e+07 0.00e+00 a 0 1111 609 1134 0 # HB3 P44 1147 2.112 31.739 2.513 0 U 2.345e+07 0.00e+00 a 0 1111 609 1293 0 # HG3 P44 1148 3.373 28.232 2.381 0 U 9.420e+05 0.00e+00 a 0 1143 381 998 0 # HA K70 1149 3.373 28.232 3.122 0 U 4.636e+07 0.00e+00 a 0 1143 381 1364 0 # HB3 C46 1150 3.373 28.232 0.710 0 U 3.142e+06 0.00e+00 a 0 1143 381 1157 0 # HG2 T45 1151 3.373 28.232 0.718 0 U 3.142e+06 0.00e+00 a 0 1143 381 1077 0 # HD1 L49 1152 3.373 28.232 4.261 0 U 9.497e+06 0.00e+00 a 0 1143 381 1001 0 # HA H73 1153 2.353 33.695 1.939 0 U 3.549e+07 0.00e+00 a 0 1159 1223 1374 0 # HB2 Q52 1154 2.353 33.695 4.247 0 U 1.308e+07 0.00e+00 a 0 1159 1223 980 0 # HA L49 1155 2.353 33.695 2.371 0 U 8.030e+08 0.00e+00 a 0 1159 1223 1172 0 # HG3 Q52 1156 2.353 33.695 2.084 0 U 4.946e+07 0.00e+00 a 0 1159 1223 1365 0 # HB3 Q52 1157 0.717 21.938 1.669 0 U 1.289e+08 0.00e+00 a 0 1175 1254 1142 0 # HB3 L71 1158 0.717 21.938 2.763 0 U 1.433e+07 0.00e+00 a 0 1175 1254 1418 0 # HE K70 1159 0.717 21.938 1.387 0 U 8.171e+07 0.00e+00 a 0 1175 1254 1120 0 # HB2 L71 1160 0.717 21.938 0.898 0 U 2.644e+08 0.00e+00 a 0 1175 1254 1168 0 # HD1 L71 1161 0.717 21.938 4.156 0 U 1.780e+07 0.00e+00 a 0 1175 1254 996 0 # HA T68 1162 0.717 21.938 2.897 0 U 1.792e+07 0.00e+00 a 0 1175 1254 1087 0 # HE K74 1163 0.717 21.938 1.614 0 U 1.411e+08 0.00e+00 a 0 1175 1254 1398 0 # HG L71 1164 0.717 21.938 1.522 0 U 4.799e+07 0.00e+00 a 0 1175 1254 1080 0 # HD K74 1165 0.717 21.938 3.747 0 U 1.206e+08 0.00e+00 a 0 1175 1254 999 0 # HA L71 1166 0.654 22.996 -0.624 0 U 8.262e+06 0.00e+00 a 0 1281 1252 1057 0 # HD2 L12 1167 0.654 22.996 2.372 0 U 1.862e+07 0.00e+00 a 0 1281 1252 1126 0 # HB3 P14 1168 0.654 22.996 0.336 0 U 2.267e+07 0.00e+00 a 0 1281 1252 1072 0 # HD1 L12 1169 0.654 22.996 1.910 0 U 2.267e+07 0.00e+00 a 0 1281 1252 1399 0 # HG2 P14 1170 0.654 22.996 4.890 0 U 1.490e+07 0.00e+00 a 0 1281 1252 1285 0 # HA V13 1171 0.654 22.996 1.402 0 U 5.952e+07 0.00e+00 a 0 1281 1252 1065 0 # HG L41 1172 0.654 22.996 4.587 0 U 1.037e+08 0.00e+00 a 0 1281 1252 947 0 # HA P14 1173 0.654 22.996 0.738 0 U 3.513e+08 0.00e+00 a 0 1281 1252 1075 0 # HD1 L41 1174 0.654 22.996 5.067 0 U 7.050e+07 0.00e+00 a 0 1281 1252 973 0 # HA L41 1175 0.654 22.996 1.576 0 U 7.423e+07 0.00e+00 a 0 1281 1252 1262 0 # HB3 L41 1176 0.654 22.996 1.420 0 U 8.560e+07 0.00e+00 a 0 1281 1252 1031 0 # HB2 L41 1177 0.654 22.996 2.065 0 U 1.868e+07 0.00e+00 a 0 1281 1252 1058 0 # HG3 P14 1178 4.481 55.440 2.069 0 U 5.494e+07 0.00e+00 a 0 972 358 1132 0 # HB3 K40 1179 4.481 55.440 1.444 0 U 1.282e+07 0.00e+00 a 0 972 358 1014 0 # HB I15 1180 4.481 55.440 1.582 0 U 3.340e+07 0.00e+00 a 0 972 358 1109 0 # HB2 K40 1181 4.481 55.440 0.697 0 U 1.392e+07 0.00e+00 a 0 972 358 1150 0 # HG2 I15 1182 4.481 55.440 0.371 0 U 4.948e+07 0.00e+00 a 0 972 358 1166 0 # HD1 I15 1183 4.481 55.440 1.316 0 U 5.750e+07 0.00e+00 a 0 972 358 1403 0 # HG K40 1184 4.481 55.440 5.067 0 U 2.703e+06 0.00e+00 a 0 972 358 973 0 # HA L41 1185 4.481 55.440 1.635 0 U 4.489e+07 0.00e+00 a 0 972 358 1074 0 # HD K40 1186 3.819 58.569 2.580 0 U 3.036e+07 0.00e+00 a 0 988 196 1068 0 # HG Q59 1187 3.819 58.569 2.252 0 U 4.654e+07 0.00e+00 a 0 988 196 1137 0 # HB3 Q59 1188 3.819 58.569 -0.624 0 U 5.354e+06 0.00e+00 a 0 988 196 1057 0 # HD2 L12 1189 3.819 58.569 0.336 0 U 5.415e+07 0.00e+00 a 0 988 196 1072 0 # HD1 L12 1190 3.819 58.569 1.553 0 U 7.189e+06 0.00e+00 a 0 988 196 1125 0 # HB3 L12 1191 3.819 58.569 1.936 0 U 2.199e+07 0.00e+00 a 0 988 196 1114 0 # HB2 Q59 1192 3.819 58.569 2.835 0 U 2.672e+07 0.00e+00 a 0 988 196 1139 0 # HB3 F62 1193 3.819 58.569 0.738 0 U 6.564e+06 0.00e+00 a 0 988 196 1075 0 # HD1 L41 1194 3.819 58.569 1.291 0 U 1.083e+07 0.00e+00 a 0 988 196 1101 0 # HB2 L12 1195 1.767 33.350 0.922 0 U 5.962e+07 0.00e+00 a 0 1024 336 1162 0 # HG1 V29 1196 1.767 33.350 4.747 0 U 3.324e+06 0.00e+00 a 0 1024 336 968 0 # HA S36 1197 1.767 33.350 0.822 0 U 7.285e+07 0.00e+00 a 0 1024 336 1149 0 # HG2 V29 1198 1.767 33.350 4.069 0 U 3.184e+07 0.00e+00 a 0 1024 336 962 0 # HA V29 1199 4.182 68.903 0.898 0 U 9.967e+06 0.00e+00 a 0 1045 388 1168 0 # HD1 L71 1200 4.182 68.903 4.156 0 U 8.748e+08 0.00e+00 a 0 1045 388 996 0 # HA T68 1201 4.182 68.903 1.215 0 U 1.082e+08 0.00e+00 a 0 1045 388 1161 0 # HG2 T68 1202 4.182 68.903 1.614 0 U 4.683e+06 0.00e+00 a 0 1045 388 1398 0 # HG L71 1203 0.792 25.029 1.598 0 U 3.214e+07 0.00e+00 a 0 1079 1186 1070 0 # HG L72 1204 0.792 25.029 3.917 0 U 2.587e+07 0.00e+00 a 0 1079 1186 1000 0 # HA L72 1205 0.792 25.029 1.361 0 U 6.555e+07 0.00e+00 a 0 1079 1186 1046 0 # HB3 L72 1206 0.454 23.095 2.381 0 U 4.870e+06 0.00e+00 a 0 1419 1227 998 0 # HA K70 1207 0.454 23.095 2.763 0 U 1.107e+07 0.00e+00 a 0 1419 1227 1418 0 # HE K70 1208 0.454 23.095 -0.521 0 U 1.010e+07 0.00e+00 a 0 1419 1227 1119 0 # HB2 K70 1209 0.454 23.095 0.964 0 U 4.276e+07 0.00e+00 a 0 1419 1227 1421 0 # HG3 K70 1210 0.454 23.095 3.539 0 U 2.197e+06 0.00e+00 a 0 1419 1227 995 0 # HA A67 1211 0.454 23.095 0.966 0 U 4.276e+07 0.00e+00 a 0 1419 1227 1420 0 # HD K70 1212 0.454 23.095 3.747 0 U 1.614e+06 0.00e+00 a 0 1419 1227 999 0 # HA L71 1213 4.042 45.971 3.772 0 U 6.543e+07 0.00e+00 a 0 1095 386 1091 0 # HA2 G50 1214 2.563 40.827 2.563 0 U 9.305e+07 0.00e+00 a 0 1116 362 1116 0 # HB2 F62 1215 2.069 34.938 2.069 0 U 1.513e+08 0.00e+00 a 0 1132 359 1132 0 # HB3 K40 1216 0.955 27.931 0.955 0 U 5.980e+07 0.00e+00 a 0 1164 1259 1164 0 # HG12 I47 1217 4.167 56.067 4.167 0 U 2.558e+09 0.00e+00 a 0 945 497 945 0 # HA E11 1218 2.270 26.334 2.270 0 U 5.763e+07 0.00e+00 a 0 1291 1205 1291 0 # HG3 P10 1219 4.406 54.682 4.406 0 U 8.506e+08 0.00e+00 a 0 961 317 961 0 # HA R28 1220 3.890 67.424 3.890 0 U 3.392e+08 0.00e+00 a 0 977 304 977 0 # HA C46 1221 4.817 58.368 4.817 0 U 7.603e+08 0.00e+00 a 0 993 377 993 0 # HA S65 1222 0.853 20.833 0.853 0 U 4.266e+09 0.00e+00 a 0 1030 314 1030 0 # HB A39 1223 2.556 39.379 2.556 0 U 6.159e+07 0.00e+00 a 0 1375 341 1375 0 # HB2 Y55 1224 2.580 32.335 2.580 0 U 3.180e+08 0.00e+00 a 0 1068 1224 1068 0 # HG Q59 1225 2.897 41.954 2.897 0 U 9.391e+09 0.00e+00 a 0 1084 1244 1084 0 # HE K40 1226 1.908 32.729 1.908 0 U 5.355e+07 0.00e+00 a 0 1100 602 1100 0 # HB2 P10 1227 2.079 27.016 2.079 0 U 3.244e+07 0.00e+00 a 0 1448 1220 1448 0 # HG2 P44 1228 1.396 31.172 1.396 0 U 8.278e+07 0.00e+00 a 0 1105 316 1105 0 # HB2 R28 1229 3.121 28.232 3.121 0 U 4.088e+07 0.00e+00 a 0 1121 381 1121 0 # HB2 H73 1230 2.252 27.615 2.252 0 U 7.519e+07 0.00e+00 a 0 1137 195 1137 0 # HB3 Q59 1231 1.102 26.841 1.102 0 U 1.230e+08 0.00e+00 a 0 1153 1215 1153 0 # HG2 R28 1232 1.258 26.841 1.258 0 U 1.758e+08 0.00e+00 a 0 1169 1215 1169 0 # HG3 R28 1233 3.406 51.304 3.406 0 U 3.475e+07 0.00e+00 a 0 1266 1265 1266 0 # HD3 P10 1234 0.736 28.279 0.736 0 U 8.852e+07 0.00e+00 a 0 1297 1256 1297 0 # HG12 I15 1235 4.415 56.090 4.415 0 U 8.643e+08 0.00e+00 a 0 966 300 966 0 # HA D33 1236 4.256 55.547 4.256 0 U 1.434e+09 0.00e+00 a 0 982 309 982 0 # HA Q52 1237 2.381 58.005 2.381 0 U 5.020e+08 0.00e+00 a 0 998 384 998 0 # HA K70 1238 3.122 28.125 3.122 0 U 3.930e+07 0.00e+00 a 0 1364 305 1364 0 # HB3 C46 1239 1.690 43.123 1.690 0 U 4.194e+07 0.00e+00 a 0 1035 372 1035 0 # HB2 L49 1240 2.054 26.191 2.054 0 U 1.022e+08 0.00e+00 a 0 1381 549 1381 0 # HB3 C9 1241 -0.624 21.197 -0.624 0 U 1.202e+09 0.00e+00 a 0 1057 1251 1057 0 # HD2 L12 1242 2.357 42.779 2.357 0 U 2.443e+08 0.00e+00 a 0 1073 1236 1073 0 # HD2 R28 1243 1.848 33.355 1.848 0 U 2.686e+08 0.00e+00 a 0 1110 333 1110 0 # HB2 Q42 1244 2.372 32.241 2.372 0 U 1.460e+08 0.00e+00 a 0 1126 606 1126 0 # HB3 P14 1245 1.669 40.363 1.669 0 U 8.803e+07 0.00e+00 a 0 1142 339 1142 0 # HB3 L71 1246 0.931 17.650 0.931 0 U 2.170e+09 0.00e+00 a 0 1158 1197 1158 0 # HG2 I51 1247 3.627 50.835 3.627 0 U 1.093e+08 0.00e+00 a 0 1174 1234 1174 0 # HD2 P14 1248 0.975 21.740 0.975 0 U 1.940e+09 0.00e+00 a 0 1272 1273 1272 0 # HG1 V13 1249 0.794 22.006 0.794 0 U 2.653e+09 0.00e+00 a 0 1276 1253 1276 0 # HD2 L49 1250 4.003 51.501 4.003 0 U 1.731e+09 0.00e+00 a 0 971 315 971 0 # HA A39 1251 4.548 57.274 4.548 0 U 4.490e+08 0.00e+00 a 0 987 382 987 0 # HA S58 1252 1.377 17.975 1.377 0 U 3.028e+09 0.00e+00 a 0 1044 375 1044 0 # HB A67 1253 1.574 29.377 1.574 0 U 3.320e+08 0.00e+00 a 0 1078 1239 1078 0 # HD2 K63 1254 2.763 41.657 2.763 0 U 1.241e+09 0.00e+00 a 0 1418 1247 1418 0 # HE K70 1255 4.235 45.115 4.235 0 U 4.876e+07 0.00e+00 a 0 1094 400 1094 0 # HA3 G34 1256 2.772 31.181 2.772 0 U 1.089e+08 0.00e+00 a 0 1115 328 1115 0 # HB2 C61 1257 2.852 31.285 2.852 0 U 5.682e+07 0.00e+00 a 0 1131 326 1131 0 # HB3 C35 1258 4.218 64.212 4.218 0 U 4.989e+08 0.00e+00 a 0 1147 376 1147 0 # HB3 S65 1259 1.245 28.279 1.245 0 U 1.067e+08 0.00e+00 a 0 1163 1256 1163 0 # HG13 I15 1260 4.497 62.258 4.497 0 U 5.959e+08 0.00e+00 a 0 944 601 944 0 # HA P10 1261 1.914 26.334 1.914 0 U 2.067e+07 0.00e+00 a 0 1289 1205 1289 0 # HG2 P10 1262 3.867 66.053 3.867 0 U 3.634e+08 0.00e+00 a 0 976 574 976 0 # HA T45 1263 3.848 59.601 3.848 0 U 5.121e+08 0.00e+00 a 0 992 361 992 0 # HA K63 1264 3.913 63.933 3.913 0 U 6.293e+08 0.00e+00 a 0 1028 342 1028 0 # HB S37 1265 1.939 29.221 1.939 0 U 6.225e+08 0.00e+00 a 0 1374 308 1374 0 # HB2 Q52 1266 1.728 26.358 1.728 0 U 5.510e+07 0.00e+00 a 0 1067 1222 1067 0 # HG L49 1267 1.387 40.363 1.387 0 U 8.501e+07 0.00e+00 a 0 1120 339 1120 0 # HB2 L71 1268 3.064 31.412 3.064 0 U 6.666e+07 0.00e+00 a 0 1136 223 1136 0 # HB3 C57 1269 0.898 24.975 0.898 0 U 2.540e+09 0.00e+00 a 0 1168 1185 1168 0 # HD1 L71 1270 0.850 16.887 0.850 0 U 2.141e+09 0.00e+00 a 0 1200 1196 1200 0 # HG2 I47 1271 4.355 56.230 4.355 0 U 1.768e+09 0.00e+00 a 0 949 351 949 0 # HA E16 1272 1.723 27.931 1.723 0 U 8.748e+07 0.00e+00 a 0 1295 1259 1295 0 # HG13 I47 1273 4.226 64.057 4.226 0 U 4.579e+08 0.00e+00 a 0 965 325 965 0 # HA T32 1274 4.006 61.334 4.006 0 U 4.670e+08 0.00e+00 a 0 981 338 981 0 # HA I51 1275 3.926 60.390 3.926 0 U 6.703e+08 0.00e+00 a 0 997 323 997 0 # HA H69 1276 1.444 39.069 1.444 0 U 2.823e+08 0.00e+00 a 0 1014 539 1014 0 # HB I15 1277 1.925 29.880 1.925 0 U 1.150e+09 0.00e+00 a 0 1363 331 1363 0 # HB3 E38 1278 1.966 32.274 1.966 0 U 9.674e+08 0.00e+00 a 0 1034 349 1034 0 # HB K48 1279 1.173 26.191 1.173 0 U 8.951e+07 0.00e+00 a 0 1380 549 1380 0 # HB2 C9 1280 2.246 36.341 2.246 0 U 4.453e+09 0.00e+00 a 0 1056 1206 1056 0 # HG E11 1281 1.919 33.800 1.919 0 U 4.390e+07 0.00e+00 a 0 1407 1408 1407 0 # HG3 Q42 1282 0.336 27.495 0.336 0 U 5.365e+08 0.00e+00 a 0 1072 1179 1072 0 # HD1 L12 1283 1.582 34.938 1.582 0 U 9.516e+07 0.00e+00 a 0 1109 359 1109 0 # HB2 K40 1284 1.553 44.620 1.553 0 U 3.845e+07 0.00e+00 a 0 1125 564 1125 0 # HB3 L12 1285 0.971 29.303 0.971 0 U 8.942e+09 0.00e+00 a 0 1141 385 1141 0 # HB3 K70 1286 0.710 21.593 0.710 0 U 3.518e+09 0.00e+00 a 0 1157 1195 1157 0 # HG2 T45 1287 2.384 36.459 2.384 0 U 3.358e+08 0.00e+00 a 0 1173 1225 1173 0 # HG3 E60 1288 4.176 56.969 4.176 0 U 4.806e+09 0.00e+00 a 0 970 332 970 0 # HA E38 1289 4.712 60.115 4.712 0 U 2.630e+08 0.00e+00 a 0 986 330 986 0 # HA C57 1290 3.961 57.433 3.961 0 U 9.144e+08 0.00e+00 a 0 1002 352 1002 0 # HA K74 1291 4.084 51.533 4.084 0 U 4.458e+07 0.00e+00 a 0 1352 1292 1352 0 # HD3 P44 1292 3.141 30.663 3.141 0 U 6.876e+07 0.00e+00 a 0 1368 318 1368 0 # HB3 W66 1293 1.865 32.062 1.865 0 U 5.271e+08 0.00e+00 a 0 1042 360 1042 0 # HB K63 1294 2.823 30.249 2.823 0 U 5.156e+07 0.00e+00 a 0 1385 573 1385 0 # HB2 C43 1295 0.718 26.327 0.718 0 U 9.116e+08 0.00e+00 a 0 1077 1183 1077 0 # HD1 L49 1296 4.004 46.730 4.004 0 U 6.529e+07 0.00e+00 a 0 1093 389 1093 0 # HA2 G64 1297 1.936 27.615 1.936 0 U 1.174e+08 0.00e+00 a 0 1114 195 1114 0 # HB2 Q59 1298 1.871 29.562 1.871 0 U 4.935e+08 0.00e+00 a 0 1130 310 1130 0 # HB3 E31 1299 0.922 21.230 0.922 0 U 2.638e+09 0.00e+00 a 0 1162 1258 1162 0 # HG1 V29 1300 4.578 53.465 4.578 0 U 1.079e+09 0.00e+00 a 0 943 544 943 0 # HA D8 1301 2.458 42.779 2.458 0 U 2.719e+08 0.00e+00 a 0 1288 1236 1288 0 # HD3 R28 1302 4.301 56.182 4.301 0 U 2.933e+09 0.00e+00 a 0 959 321 959 0 # HA E26 1303 4.417 64.186 4.417 0 U 3.211e+08 0.00e+00 a 0 975 608 975 0 # HA P44 1304 3.816 59.376 3.816 0 U 2.910e+08 0.00e+00 a 0 991 363 991 0 # HA F62 1305 3.891 63.704 3.891 0 U 1.210e+09 0.00e+00 a 0 1027 393 1027 0 # HB S36 1306 1.811 29.880 1.811 0 U 4.363e+08 0.00e+00 a 0 1373 331 1373 0 # HB2 E38 1307 1.910 27.764 1.910 0 U 1.222e+08 0.00e+00 a 0 1399 1208 1399 0 # HG2 P14 1308 1.453 25.043 1.453 0 U 7.973e+08 0.00e+00 a 0 1066 1221 1066 0 # HG2 K48 1309 -0.521 29.303 -0.521 0 U 5.221e+07 0.00e+00 a 0 1119 385 1119 0 # HB2 K70 1310 3.068 45.777 3.068 0 U 4.685e+07 0.00e+00 a 0 1135 378 1135 0 # HB3 F56 1311 1.000 15.003 1.000 0 U 1.165e+09 0.00e+00 a 0 1167 1184 1167 0 # HD1 I51 1312 1.298 41.465 1.298 0 U 1.256e+08 0.00e+00 a 0 1264 364 1264 0 # HB2 L72 1313 3.914 62.491 3.914 0 U 4.851e+08 0.00e+00 a 0 948 540 948 0 # HA I15 1314 4.053 51.533 4.053 0 U 3.345e+08 0.00e+00 a 0 1294 1292 1294 0 # HD2 P44 1315 4.048 57.268 4.048 0 U 5.917e+08 0.00e+00 a 0 964 311 964 0 # HA E31 1316 4.247 54.870 4.247 0 U 6.998e+08 0.00e+00 a 0 980 373 980 0 # HA L49 1317 4.156 63.579 4.156 0 U 5.073e+08 0.00e+00 a 0 996 387 996 0 # HA T68 1318 1.854 29.720 1.854 0 U 7.039e+08 0.00e+00 a 0 1013 496 1013 0 # HB E11 1319 1.912 30.667 1.912 0 U 4.952e+08 0.00e+00 a 0 1362 320 1362 0 # HB3 E26 1320 1.819 38.188 1.819 0 U 2.426e+08 0.00e+00 a 0 1033 368 1033 0 # HB I47 1321 1.737 33.800 1.737 0 U 5.259e+08 0.00e+00 a 0 1406 1408 1406 0 # HG2 Q42 1322 2.897 41.926 2.897 0 U 1.887e+09 0.00e+00 a 0 1087 1248 1087 0 # HE K74 1323 2.435 31.285 2.435 0 U 8.935e+07 0.00e+00 a 0 1108 326 1108 0 # HB2 C35 1324 2.167 32.729 2.167 0 U 6.216e+07 0.00e+00 a 0 1124 602 1124 0 # HB3 P10 1325 3.159 28.915 3.159 0 U 4.999e+07 0.00e+00 a 0 1140 322 1140 0 # HB3 H69 1326 2.055 36.279 2.055 0 U 3.373e+08 0.00e+00 a 0 1156 1217 1156 0 # HG2 E38 1327 2.371 33.695 2.371 0 U 5.210e+08 0.00e+00 a 0 1172 1223 1172 0 # HG3 Q52 1328 0.730 13.839 0.730 0 U 1.621e+09 0.00e+00 a 0 1188 1182 1188 0 # HD1 I47 1329 0.793 18.806 0.793 0 U 1.903e+09 0.00e+00 a 0 1270 1271 1270 0 # HG2 V13 1330 4.354 59.652 4.354 0 U 6.810e+08 0.00e+00 a 0 969 343 969 0 # HA S37 1331 5.970 56.253 5.970 0 U 1.176e+08 0.00e+00 a 0 985 379 985 0 # HA F56 1332 4.261 54.622 4.261 0 U 7.879e+08 0.00e+00 a 0 1001 380 1001 0 # HA H73 1333 2.021 29.055 2.021 0 U 2.310e+08 0.00e+00 a 0 1367 356 1367 0 # HB3 E60 1334 4.201 65.052 4.201 0 U 1.084e+08 0.00e+00 a 0 1040 383 1040 0 # HB3 S58 1335 4.338 56.244 4.338 0 U 6.027e+08 0.00e+00 a 0 1384 572 1384 0 # HA C43 1336 1.568 25.043 1.568 0 U 1.089e+08 0.00e+00 a 0 1076 1221 1076 0 # HG3 K48 1337 1.670 29.377 1.670 0 U 2.738e+09 0.00e+00 a 0 1416 1239 1416 0 # HD3 K63 1338 3.256 45.583 3.256 0 U 7.873e+07 0.00e+00 a 0 1092 403 1092 0 # HA2 G53 1339 2.622 31.412 2.622 0 U 8.885e+07 0.00e+00 a 0 1113 223 1113 0 # HB2 C57 1340 2.952 31.509 2.952 0 U 6.922e+07 0.00e+00 a 0 1129 302 1129 0 # HB3 C30 1341 1.215 21.927 1.215 0 U 3.287e+09 0.00e+00 a 0 1161 1198 1161 0 # HG2 T68 1342 4.890 57.612 4.890 0 U 3.470e+08 0.00e+00 a 0 1285 580 1285 0 # HA V13 1343 5.446 53.643 5.446 0 U 3.551e+08 0.00e+00 a 0 974 334 974 0 # HA Q42 1344 4.028 62.808 4.028 0 U 1.246e+09 0.00e+00 a 0 990 329 990 0 # HA C61 1345 2.685 40.537 2.685 0 U 9.392e+08 0.00e+00 a 0 1026 301 1026 0 # HB D33 1346 1.856 30.667 1.856 0 U 9.171e+08 0.00e+00 a 0 1372 320 1372 0 # HB2 E26 1347 1.614 26.688 1.614 0 U 4.089e+08 0.00e+00 a 0 1398 1228 1398 0 # HG L71 1348 1.402 27.127 1.402 0 U 5.826e+07 0.00e+00 a 0 1065 1424 1065 0 # HG L41 1349 0.964 23.095 0.964 0 U 5.797e+09 0.00e+00 a 0 1421 1227 1421 0 # HG3 K70 1350 1.267 24.624 1.267 0 U 4.906e+08 0.00e+00 a 0 1425 1230 1425 0 # HG K74 1351 4.185 46.730 4.185 0 U 5.441e+07 0.00e+00 a 0 1097 389 1097 0 # HA3 G64 1352 2.769 28.915 2.769 0 U 2.931e+07 0.00e+00 a 0 1118 322 1118 0 # HB2 H69 1353 2.270 31.739 2.270 0 U 6.220e+07 0.00e+00 a 0 1134 609 1134 0 # HB3 P44 1354 0.697 17.143 0.697 0 U 2.197e+09 0.00e+00 a 0 1150 1189 1150 0 # HG2 I15 1355 0.371 14.121 0.371 0 U 1.613e+09 0.00e+00 a 0 1166 1180 1166 0 # HD1 I15 1356 1.557 43.123 1.557 0 U 2.540e+07 0.00e+00 a 0 1263 372 1263 0 # HB3 L49 1357 4.587 63.223 4.587 0 U 3.718e+08 0.00e+00 a 0 947 604 947 0 # HA P14 1358 2.513 27.016 2.513 0 U 4.063e+07 0.00e+00 a 0 1293 1220 1293 0 # HG3 P44 1359 3.579 61.341 3.579 0 U 3.278e+08 0.00e+00 a 0 963 303 963 0 # HA C30 1360 3.999 59.116 3.999 0 U 9.036e+08 0.00e+00 a 0 979 348 979 0 # HA K48 1361 3.539 55.255 3.539 0 U 5.702e+08 0.00e+00 a 0 995 374 995 0 # HA A67 1362 2.474 41.383 2.474 0 U 6.904e+08 0.00e+00 a 0 1012 545 1012 0 # HB D8 1363 3.636 68.476 3.636 0 U 2.511e+08 0.00e+00 a 0 1032 575 1032 0 # HB T45 1364 3.067 30.663 3.067 0 U 5.384e+07 0.00e+00 a 0 1377 318 1377 0 # HB2 W66 1365 1.316 24.985 1.316 0 U 7.248e+08 0.00e+00 a 0 1403 1218 1403 0 # HG K40 1366 1.598 27.047 1.598 0 U 6.323e+08 0.00e+00 a 0 1070 1229 1070 0 # HG L72 1367 2.890 41.837 2.890 0 U 8.030e+09 0.00e+00 a 0 1086 1246 1086 0 # HE K63 1368 1.786 32.241 1.786 0 U 5.231e+08 0.00e+00 a 0 1102 606 1102 0 # HB2 P14 1369 1.273 29.562 1.273 0 U 7.096e+07 0.00e+00 a 0 1107 310 1107 0 # HB2 E31 1370 2.997 28.125 2.997 0 U 4.122e+07 0.00e+00 a 0 1123 305 1123 0 # HB2 C46 1371 2.835 40.827 2.835 0 U 3.116e+07 0.00e+00 a 0 1139 362 1139 0 # HB3 F62 1372 1.197 22.991 1.197 0 U 1.926e+09 0.00e+00 a 0 1155 1194 1155 0 # HG2 T32 1373 2.326 36.279 2.326 0 U 4.752e+08 0.00e+00 a 0 1171 1217 1171 0 # HG3 E38 1374 4.105 65.052 4.105 0 U 7.787e+07 0.00e+00 a 0 1268 383 1268 0 # HB2 S58 1375 4.747 56.899 4.747 0 U 6.496e+08 0.00e+00 a 0 968 392 968 0 # HA S36 1376 5.314 54.500 5.314 0 U 1.546e+08 0.00e+00 a 0 984 406 984 0 # HA Y55 1377 3.917 56.835 3.917 0 U 6.064e+08 0.00e+00 a 0 1000 365 1000 0 # HA L72 1378 2.642 39.379 2.642 0 U 6.526e+07 0.00e+00 a 0 1366 341 1366 0 # HB3 Y55 1379 3.880 61.628 3.880 0 U 4.887e+07 0.00e+00 a 0 1038 367 1038 0 # HB S54 1380 3.201 30.249 3.201 0 U 4.457e+07 0.00e+00 a 0 1383 573 1383 0 # HB3 C43 1381 2.208 36.279 2.208 0 U 5.556e+09 0.00e+00 a 0 1059 1209 1059 0 # HG E16 1382 0.738 26.625 0.738 0 U 1.112e+09 0.00e+00 a 0 1075 1181 1075 0 # HD1 L41 1383 1.504 25.075 1.504 0 U 4.880e+08 0.00e+00 a 0 1415 1226 1415 0 # HG3 K63 1384 3.772 45.971 3.772 0 U 6.691e+07 0.00e+00 a 0 1091 386 1091 0 # HA2 G50 1385 2.208 45.777 2.208 0 U 4.185e+07 0.00e+00 a 0 1112 378 1112 0 # HB2 F56 1386 1.578 31.172 1.578 0 U 8.460e+07 0.00e+00 a 0 1128 316 1128 0 # HB3 R28 1387 1.703 32.774 1.703 0 U 5.179e+08 0.00e+00 a 0 1144 353 1144 0 # HB3 K74 1388 2.250 36.459 2.250 0 U 2.987e+09 0.00e+00 a 0 1160 1225 1160 0 # HG2 E60 1389 3.801 50.835 3.801 0 U 9.864e+07 0.00e+00 a 0 1176 1234 1176 0 # HD3 P14 1390 0.791 23.218 0.791 0 U 2.097e+09 0.00e+00 a 0 1278 1255 1278 0 # HD2 L72 1391 2.275 32.625 2.275 0 U 2.263e+08 0.00e+00 a 0 1282 579 1282 0 # HB V13 1392 5.067 53.763 5.067 0 U 2.473e+08 0.00e+00 a 0 973 347 973 0 # HA L41 1393 3.926 60.201 3.926 0 U 8.131e+08 0.00e+00 a 0 989 357 989 0 # HA E60 1394 4.508 67.974 4.508 0 U 1.417e+08 0.00e+00 a 0 1025 324 1025 0 # HB T32 1395 1.361 41.465 1.361 0 U 1.428e+08 0.00e+00 a 0 1046 364 1046 0 # HB3 L72 1396 1.270 26.990 1.270 0 U 1.167e+08 0.00e+00 a 0 1397 1207 1397 0 # HG L12 1397 2.158 36.205 2.158 0 U 2.062e+09 0.00e+00 a 0 1064 1214 1064 0 # HG E26 1398 1.522 29.051 1.522 0 U 1.128e+09 0.00e+00 a 0 1080 1240 1080 0 # HD K74 1399 0.966 29.119 0.966 0 U 2.993e+10 0.00e+00 a 0 1420 1417 1420 0 # HD K70 1400 3.849 45.583 3.849 0 U 9.244e+07 0.00e+00 a 0 1096 403 1096 0 # HA3 G53 1401 4.077 64.212 4.077 0 U 1.338e+08 0.00e+00 a 0 1117 376 1117 0 # HB2 S65 1402 2.141 33.355 2.141 0 U 5.677e+07 0.00e+00 a 0 1133 333 1133 0 # HB3 Q42 1403 0.822 21.363 0.822 0 U 4.083e+09 0.00e+00 a 0 1149 1193 1149 0 # HG2 V29 1404 1.500 27.405 1.500 0 U 6.883e+07 0.00e+00 a 0 1165 1260 1165 0 # HG1 I51 1405 1.576 48.135 1.576 0 U 3.910e+07 0.00e+00 a 0 1262 346 1262 0 # HB3 L41 1406 3.988 55.010 3.988 0 U 2.186e+08 0.00e+00 a 0 946 565 946 0 # HA L12 1407 4.069 61.434 4.069 0 U 5.957e+08 0.00e+00 a 0 962 335 962 0 # HA V29 1408 3.728 65.034 3.728 0 U 4.267e+08 0.00e+00 a 0 978 369 978 0 # HA I47 1409 4.126 59.719 4.126 0 U 2.237e+08 0.00e+00 a 0 994 319 994 0 # HA W66 1410 1.997 30.705 1.997 0 U 3.439e+08 0.00e+00 a 0 1360 350 1360 0 # HB3 E16 1411 1.420 48.135 1.420 0 U 3.408e+07 0.00e+00 a 0 1031 346 1031 0 # HB2 L41 1412 1.928 29.055 1.928 0 U 4.561e+08 0.00e+00 a 0 1376 356 1376 0 # HB2 E60 1413 1.416 25.075 1.416 0 U 9.074e+08 0.00e+00 a 0 1069 1226 1069 0 # HG2 K63 1414 2.945 41.926 2.945 0 U 1.012e+10 0.00e+00 a 0 1085 1245 1085 0 # HE K48 1415 1.291 44.620 1.291 0 U 3.552e+07 0.00e+00 a 0 1101 564 1101 0 # HB2 L12 1416 2.638 31.509 2.638 0 U 9.311e+07 0.00e+00 a 0 1106 302 1106 0 # HB2 C30 1417 1.392 32.774 1.392 0 U 1.622e+08 0.00e+00 a 0 1122 353 1122 0 # HB2 K74 1418 3.168 31.181 3.168 0 U 8.821e+07 0.00e+00 a 0 1138 328 1138 0 # HB3 C61 1419 2.266 37.819 2.266 0 U 1.201e+08 0.00e+00 a 0 1154 1216 1154 0 # HG2 E31 1420 2.485 37.819 2.485 0 U 1.274e+08 0.00e+00 a 0 1170 1216 1170 0 # HG3 E31 1421 3.056 51.304 3.056 0 U 2.797e+07 0.00e+00 a 0 1267 1265 1267 0 # HD2 P10 1422 4.524 59.040 4.524 0 U 4.554e+08 0.00e+00 a 0 967 327 967 0 # HA C35 1423 4.243 56.450 4.243 0 U 3.553e+09 0.00e+00 a 0 983 366 983 0 # HA S54 1424 3.747 56.701 3.747 0 U 4.562e+08 0.00e+00 a 0 999 340 999 0 # HA L71 1425 2.084 29.221 2.084 0 U 2.796e+08 0.00e+00 a 0 1365 308 1365 0 # HB3 Q52 1426 1.819 38.855 1.819 0 U 1.816e+08 0.00e+00 a 0 1036 337 1036 0 # HB I51 1427 2.256 56.441 2.256 0 U 1.620e+08 0.00e+00 a 0 1382 550 1382 0 # HA C9 1428 2.065 27.764 2.065 0 U 1.509e+08 0.00e+00 a 0 1058 1208 1058 0 # HG3 P14 1429 1.635 28.929 1.635 0 U 3.142e+09 0.00e+00 a 0 1074 1237 1074 0 # HD K40 1430 1.673 29.198 1.673 0 U 4.300e+09 0.00e+00 a 0 1414 1238 1414 0 # HD K48 1431 3.591 45.115 3.591 0 U 5.072e+07 0.00e+00 a 0 1090 400 1090 0 # HA2 G34 1432 2.112 31.739 2.112 0 U 8.464e+07 0.00e+00 a 0 1111 609 1111 0 # HB2 P44 1433 3.373 28.232 3.373 0 U 4.523e+07 0.00e+00 a 0 1143 381 1143 0 # HB3 H73 1434 2.353 33.695 2.353 0 U 4.731e+08 0.00e+00 a 0 1159 1223 1159 0 # HG2 Q52 1435 0.717 21.938 0.717 0 U 4.233e+09 0.00e+00 a 0 1175 1254 1175 0 # HD2 L71 1436 0.654 22.996 0.654 0 U 2.651e+09 0.00e+00 a 0 1281 1252 1281 0 # HD2 L41 1437 4.481 55.440 4.481 0 U 6.460e+08 0.00e+00 a 0 972 358 972 0 # HA K40 1438 3.819 58.569 3.819 0 U 3.124e+08 0.00e+00 a 0 988 196 988 0 # HA Q59 1439 1.767 33.350 1.767 0 U 1.145e+09 0.00e+00 a 0 1024 336 1024 0 # HB V29 1440 1.911 30.705 1.911 0 U 5.022e+08 0.00e+00 a 0 1370 350 1370 0 # HB2 E16 1441 4.182 68.903 4.182 0 U 5.782e+08 0.00e+00 a 0 1045 388 1045 0 # HB T68 1442 0.792 25.029 0.792 0 U 1.408e+09 0.00e+00 a 0 1079 1186 1079 0 # HD1 L72 1443 0.454 23.095 0.454 0 U 6.926e+07 0.00e+00 a 0 1419 1227 1419 0 # HG2 K70 1444 4.042 45.971 4.042 0 U 7.883e+07 0.00e+00 a 0 1095 386 1095 0 # HA3 G50 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . . 8196.803 Hz . . . 4.771 . . 30956 2 2 . . C 13 C-aliphatic . . 9803.710 Hz . . . 45.737 . . 30956 2 3 . . H 1 H . . 7017.693 Hz . . . 4.771 . . 30956 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30956 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 20 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 H1 #INAME 2 C13 #INAME 3 H1 #SPECTRUM C13NOESY HC C H 1 6.576 124.531 3.890 0 U 1.687e+06 0.00e+00 a 0 1308 1309 977 0 # HA C46 2 6.576 124.531 2.381 0 U 4.841e+05 0.00e+00 a 0 1308 1309 998 0 # HA K70 3 6.576 124.531 0.931 0 U 9.682e+05 0.00e+00 a 0 1308 1309 1158 0 # HG2 I51 4 6.576 124.531 0.710 0 U 3.266e+06 0.00e+00 a 0 1308 1309 1157 0 # HG2 T45 5 6.576 124.531 0.718 0 U 3.266e+06 0.00e+00 a 0 1308 1309 1077 0 # HD1 L49 6 6.576 124.531 1.000 0 U 8.182e+06 0.00e+00 a 0 1308 1309 1167 0 # HD1 I51 7 6.576 124.531 4.247 0 U 7.108e+06 0.00e+00 a 0 1308 1309 980 0 # HA L49 8 7.221 120.869 2.381 0 U 1.953e+05 0.00e+00 a 0 1324 1325 998 0 # HA K70 9 7.221 120.869 7.675 0 U 1.330e+06 0.00e+00 a 0 1324 1325 1328 0 # HD F62 10 7.221 120.869 6.752 0 U 2.359e+06 0.00e+00 a 0 1324 1325 1306 0 # HD2 H69 11 7.221 120.869 7.428 0 U 2.642e+06 0.00e+00 a 0 1324 1325 1322 0 # HH2 W66 12 7.221 120.869 6.956 0 U 1.561e+06 0.00e+00 a 0 1324 1325 1326 0 # HZ3 W66 13 7.221 120.869 7.199 0 U 8.493e+06 0.00e+00 a 0 1324 1325 1320 0 # HD1 W66 14 7.221 120.869 2.256 0 U 2.241e+05 0.00e+00 a 0 1324 1325 1382 0 # HA C9 15 8.399 139.866 6.487 0 U 1.669e+06 0.00e+00 a 0 1312 1313 1473 0 # HE F56 16 8.399 139.866 6.752 0 U 1.115e+06 0.00e+00 a 0 1312 1313 1306 0 # HD2 H69 17 8.399 139.866 7.428 0 U 1.065e+06 0.00e+00 a 0 1312 1313 1322 0 # HH2 W66 18 8.399 139.866 0.964 0 U 1.968e+06 0.00e+00 a 0 1312 1313 1421 0 # HG3 K70 19 8.399 139.866 1.598 0 U 7.112e+05 0.00e+00 a 0 1312 1313 1070 0 # HG L72 20 8.399 139.866 3.880 0 U 1.120e+07 0.00e+00 a 0 1312 1313 1038 0 # HB S54 21 8.399 139.866 0.791 0 U 2.928e+06 0.00e+00 a 0 1312 1313 1278 0 # HD2 L72 22 8.399 139.866 1.361 0 U 1.792e+06 0.00e+00 a 0 1312 1313 1046 0 # HB3 L72 23 8.399 139.866 4.243 0 U 8.364e+06 0.00e+00 a 0 1312 1313 983 0 # HA S54 24 8.399 139.866 7.293 0 U 2.866e+05 0.00e+00 a 0 1312 1313 1330 0 # HZ F56 25 8.399 139.866 0.792 0 U 2.928e+06 0.00e+00 a 0 1312 1313 1079 0 # HD1 L72 26 7.675 128.716 7.221 0 U 3.855e+06 0.00e+00 a 0 1328 1329 1324 0 # HE3 W66 27 7.675 128.716 3.406 0 U 9.576e+05 0.00e+00 a 0 1328 1329 1266 0 # HD3 P10 28 7.675 128.716 -0.624 0 U 6.817e+05 0.00e+00 a 0 1328 1329 1057 0 # HD2 L12 29 7.675 128.716 0.336 0 U 2.439e+04 0.00e+00 a 0 1328 1329 1072 0 # HD1 L12 30 7.675 128.716 1.936 0 U 1.962e+06 0.00e+00 a 0 1328 1329 1114 0 # HB2 Q59 31 7.675 128.716 6.752 0 U 3.015e+06 0.00e+00 a 0 1328 1329 1306 0 # HD2 H69 32 7.675 128.716 7.428 0 U 1.133e+06 0.00e+00 a 0 1328 1329 1322 0 # HH2 W66 33 7.675 128.716 3.068 0 U 1.661e+06 0.00e+00 a 0 1328 1329 1135 0 # HB3 F56 34 7.675 128.716 5.970 0 U 5.454e+04 0.00e+00 a 0 1328 1329 985 0 # HA F56 35 7.675 128.716 6.956 0 U 2.138e+06 0.00e+00 a 0 1328 1329 1326 0 # HZ3 W66 36 7.675 128.716 2.835 0 U 1.376e+06 0.00e+00 a 0 1328 1329 1139 0 # HB3 F62 37 7.675 128.716 6.004 0 U 5.454e+04 0.00e+00 a 0 1328 1329 1332 0 # HD F56 38 7.675 128.716 6.719 0 U 2.930e+06 0.00e+00 a 0 1328 1329 1439 0 # HE F62 39 7.675 128.716 2.208 0 U 6.063e+05 0.00e+00 a 0 1328 1329 1112 0 # HB2 F56 40 7.675 128.716 7.293 0 U 8.582e+05 0.00e+00 a 0 1328 1329 1330 0 # HZ F56 41 6.752 127.127 7.221 0 U 7.928e+06 0.00e+00 a 0 1306 1307 1324 0 # HE3 W66 42 6.752 127.127 2.381 0 U 2.657e+06 0.00e+00 a 0 1306 1307 998 0 # HA K70 43 6.752 127.127 7.675 0 U 2.727e+06 0.00e+00 a 0 1306 1307 1328 0 # HD F62 44 6.752 127.127 7.296 0 U 3.355e+06 0.00e+00 a 0 1306 1307 1298 0 # HZ2 W66 45 7.428 123.935 7.221 0 U 3.888e+06 0.00e+00 a 0 1322 1323 1324 0 # HE3 W66 46 7.428 123.935 3.406 0 U 1.520e+06 0.00e+00 a 0 1322 1323 1266 0 # HD3 P10 47 7.428 123.935 7.675 0 U 1.057e+06 0.00e+00 a 0 1322 1323 1328 0 # HD F62 48 7.428 123.935 -0.521 0 U 3.467e+05 0.00e+00 a 0 1322 1323 1119 0 # HB2 K70 49 7.428 123.935 6.956 0 U 9.438e+05 0.00e+00 a 0 1322 1323 1326 0 # HZ3 W66 50 7.428 123.935 7.199 0 U 4.002e+06 0.00e+00 a 0 1322 1323 1320 0 # HD1 W66 51 7.428 123.935 7.296 0 U 1.145e+07 0.00e+00 a 0 1322 1323 1298 0 # HZ2 W66 52 7.428 123.935 2.256 0 U 9.418e+05 0.00e+00 a 0 1322 1323 1382 0 # HA C9 53 6.698 117.659 -0.624 0 U 5.588e+04 0.00e+00 a 0 1316 1317 1057 0 # HD2 L12 54 6.698 117.659 2.357 0 U 1.480e+06 0.00e+00 a 0 1316 1317 1073 0 # HD2 R28 55 6.698 117.659 2.458 0 U 1.514e+06 0.00e+00 a 0 1316 1317 1288 0 # HD3 R28 56 6.698 117.659 3.256 0 U 1.877e+06 0.00e+00 a 0 1316 1317 1092 0 # HA2 G53 57 6.698 117.659 0.697 0 U 2.840e+06 0.00e+00 a 0 1316 1317 1150 0 # HG2 I15 58 6.698 117.659 0.371 0 U 2.154e+06 0.00e+00 a 0 1316 1317 1166 0 # HD1 I15 59 6.698 117.659 6.910 0 U 2.920e+07 0.00e+00 a 0 1316 1317 1304 0 # HD Y55 60 6.698 117.659 5.067 0 U 2.305e+05 0.00e+00 a 0 1316 1317 973 0 # HA L41 61 6.698 117.659 3.849 0 U 1.065e+06 0.00e+00 a 0 1316 1317 1096 0 # HA3 G53 62 8.183 137.735 6.576 0 U 1.447e+06 0.00e+00 a 0 1310 1311 1308 0 # HD2 H73 63 8.183 137.735 7.221 0 U 1.262e+07 0.00e+00 a 0 1310 1311 1324 0 # HE3 W66 64 8.183 137.735 3.121 0 U 1.715e+06 0.00e+00 a 0 1310 1311 1121 0 # HB2 H73 65 8.183 137.735 2.381 0 U 2.878e+06 0.00e+00 a 0 1310 1311 998 0 # HA K70 66 8.183 137.735 3.867 0 U 2.984e+06 0.00e+00 a 0 1310 1311 976 0 # HA T45 67 8.183 137.735 7.675 0 U 2.227e+06 0.00e+00 a 0 1310 1311 1328 0 # HD F62 68 8.183 137.735 0.971 0 U 1.320e+06 0.00e+00 a 0 1310 1311 1141 0 # HB3 K70 69 8.183 137.735 0.710 0 U 7.907e+06 0.00e+00 a 0 1310 1311 1157 0 # HG2 T45 70 8.183 137.735 6.752 0 U 6.455e+06 0.00e+00 a 0 1310 1311 1306 0 # HD2 H69 71 8.183 137.735 7.428 0 U 1.596e+07 0.00e+00 a 0 1310 1311 1322 0 # HH2 W66 72 8.183 137.735 -0.521 0 U 9.078e+05 0.00e+00 a 0 1310 1311 1119 0 # HB2 K70 73 8.183 137.735 6.956 0 U 2.230e+06 0.00e+00 a 0 1310 1311 1326 0 # HZ3 W66 74 8.183 137.735 3.636 0 U 1.487e+07 0.00e+00 a 0 1310 1311 1032 0 # HB T45 75 8.183 137.735 7.296 0 U 7.220e+06 0.00e+00 a 0 1310 1311 1298 0 # HZ2 W66 76 8.183 137.735 3.373 0 U 1.047e+06 0.00e+00 a 0 1310 1311 1143 0 # HB3 H73 77 6.956 122.388 7.221 0 U 8.414e+05 0.00e+00 a 0 1326 1327 1324 0 # HE3 W66 78 6.956 122.388 2.381 0 U 2.215e+05 0.00e+00 a 0 1326 1327 998 0 # HA K70 79 6.956 122.388 7.675 0 U 5.902e+05 0.00e+00 a 0 1326 1327 1328 0 # HD F62 80 6.956 122.388 7.428 0 U 4.697e+04 0.00e+00 a 0 1326 1327 1322 0 # HH2 W66 81 6.956 122.388 7.199 0 U 8.414e+05 0.00e+00 a 0 1326 1327 1320 0 # HD1 W66 82 6.004 126.016 6.487 0 U 1.454e+06 0.00e+00 a 0 1332 1333 1473 0 # HE F56 83 6.004 126.016 7.675 0 U 1.222e+06 0.00e+00 a 0 1332 1333 1328 0 # HD F62 84 6.004 126.016 3.068 0 U 4.090e+06 0.00e+00 a 0 1332 1333 1135 0 # HB3 F56 85 6.004 126.016 5.970 0 U 4.226e+07 0.00e+00 a 0 1332 1333 985 0 # HA F56 86 6.004 126.016 2.208 0 U 1.924e+06 0.00e+00 a 0 1332 1333 1112 0 # HB2 F56 87 6.004 126.016 7.293 0 U 5.437e+05 0.00e+00 a 0 1332 1333 1330 0 # HZ F56 88 6.910 132.492 0.853 0 U 2.882e+06 0.00e+00 a 0 1304 1305 1030 0 # HB A39 89 6.910 132.492 2.556 0 U 6.896e+06 0.00e+00 a 0 1304 1305 1375 0 # HB2 Y55 90 6.910 132.492 2.357 0 U 1.720e+06 0.00e+00 a 0 1304 1305 1073 0 # HD2 R28 91 6.910 132.492 2.458 0 U 1.893e+06 0.00e+00 a 0 1304 1305 1288 0 # HD3 R28 92 6.910 132.492 6.698 0 U 3.252e+07 0.00e+00 a 0 1304 1305 1316 0 # HE Y55 93 6.910 132.492 5.446 0 U 2.505e+06 0.00e+00 a 0 1304 1305 974 0 # HA Q42 94 6.910 132.492 0.697 0 U 1.730e+06 0.00e+00 a 0 1304 1305 1150 0 # HG2 I15 95 6.910 132.492 0.371 0 U 3.568e+06 0.00e+00 a 0 1304 1305 1166 0 # HD1 I15 96 6.910 132.492 5.314 0 U 3.954e+06 0.00e+00 a 0 1304 1305 984 0 # HA Y55 97 6.910 132.492 2.642 0 U 7.729e+06 0.00e+00 a 0 1304 1305 1366 0 # HB3 Y55 98 6.910 132.492 5.067 0 U 1.933e+05 0.00e+00 a 0 1304 1305 973 0 # HA L41 99 7.199 127.254 7.221 0 U 1.469e+08 0.00e+00 a 0 1320 1321 1324 0 # HE3 W66 100 7.199 127.254 2.381 0 U 8.638e+04 0.00e+00 a 0 1320 1321 998 0 # HA K70 101 7.199 127.254 1.173 0 U 2.285e+06 0.00e+00 a 0 1320 1321 1380 0 # HB2 C9 102 7.199 127.254 0.971 0 U 1.882e+06 0.00e+00 a 0 1320 1321 1141 0 # HB3 K70 103 7.199 127.254 7.428 0 U 1.460e+06 0.00e+00 a 0 1320 1321 1322 0 # HH2 W66 104 7.199 127.254 6.956 0 U 1.300e+06 0.00e+00 a 0 1320 1321 1326 0 # HZ3 W66 105 7.296 115.726 3.406 0 U 8.707e+05 0.00e+00 a 0 1298 1299 1266 0 # HD3 P10 106 7.296 115.726 0.971 0 U 1.537e+06 0.00e+00 a 0 1298 1299 1141 0 # HB3 K70 107 7.296 115.726 4.578 0 U 3.038e+05 0.00e+00 a 0 1298 1299 943 0 # HA D8 108 7.296 115.726 6.752 0 U 4.529e+05 0.00e+00 a 0 1298 1299 1306 0 # HD2 H69 109 7.296 115.726 7.428 0 U 9.927e+06 0.00e+00 a 0 1298 1299 1322 0 # HH2 W66 110 7.296 115.726 -0.521 0 U 8.502e+05 0.00e+00 a 0 1298 1299 1119 0 # HB2 K70 111 7.296 115.726 2.769 0 U 1.218e+06 0.00e+00 a 0 1298 1299 1118 0 # HB2 H69 112 7.296 115.726 2.256 0 U 1.001e+06 0.00e+00 a 0 1298 1299 1382 0 # HA C9 113 6.810 118.244 -0.521 0 U 6.145e+05 0.00e+00 a 0 1314 1315 1119 0 # HB2 K70 114 7.057 132.925 -0.521 0 U 4.820e+05 0.00e+00 a 0 1303 1302 1119 0 # HB2 K70 115 7.119 129.384 6.487 0 U 2.170e+06 0.00e+00 a 0 1508 1509 1473 0 # HE F56 116 7.119 129.384 7.293 0 U 7.420e+05 0.00e+00 a 0 1508 1509 1330 0 # HZ F56 117 6.576 124.531 6.576 0 U 1.129e+08 0.00e+00 a 0 1308 1309 1308 0 # HD2 H73 118 7.221 120.869 7.221 0 U 5.224e+06 0.00e+00 a 0 1324 1325 1324 0 # HE3 W66 119 8.399 139.866 8.399 0 U 1.380e+08 0.00e+00 a 0 1312 1313 1312 0 # HE1 H69 120 7.675 128.716 7.675 0 U 1.573e+07 0.00e+00 a 0 1328 1329 1328 0 # HD F62 121 6.752 127.127 6.752 0 U 6.879e+07 0.00e+00 a 0 1306 1307 1306 0 # HD2 H69 122 7.428 123.935 7.428 0 U 3.197e+07 0.00e+00 a 0 1322 1323 1322 0 # HH2 W66 123 6.698 117.659 6.698 0 U 1.657e+08 0.00e+00 a 0 1316 1317 1316 0 # HE Y55 124 8.183 137.735 8.183 0 U 1.120e+08 0.00e+00 a 0 1310 1311 1310 0 # HE1 H73 125 6.956 122.388 6.956 0 U 1.503e+07 0.00e+00 a 0 1326 1327 1326 0 # HZ3 W66 126 6.004 126.016 6.004 0 U 3.203e+07 0.00e+00 a 0 1332 1333 1332 0 # HD F56 127 6.910 132.492 6.910 0 U 1.061e+08 0.00e+00 a 0 1304 1305 1304 0 # HD Y55 128 7.199 127.254 7.199 0 U 9.069e+07 0.00e+00 a 0 1320 1321 1320 0 # HD1 W66 129 7.296 115.726 7.296 0 U 5.183e+07 0.00e+00 a 0 1298 1299 1298 0 # HZ2 W66 130 7.119 129.384 7.119 0 U 1.437e+07 0.00e+00 a 0 1508 1509 1508 0 # HZ 1026 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aromatic . . 8196.721 Hz . . . 4.771 . . 30956 3 2 . . H 1 C-aromatic . . 5278.921 Hz . . . 127.723 . . 30956 3 3 . . H 1 H . . 7017.693 Hz . . . 4.771 . . 30956 3 stop_ save_