data_25684 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25684 _Entry.Title ; SOLUTION STRUCTURE OF THE LIPID DROPLET ANCHORING PEPTIDE OF CGI-58 BOUND TO DPC MICELLES ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-01 _Entry.Accession_date 2015-07-01 _Entry.Last_release_date 2015-09-14 _Entry.Original_release_date 2015-09-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 'Solution structure of the N-terminal lipid droplet binding motif of CGI-58' 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 Andras Boeszoermenyi . B.A. . . 25684 2 Haribabu Arthanari . A.H. . . 25684 3 Gerhard Wagner . G.W. . . 25684 4 Harald Nagy . N.H.M. . . 25684 5 Klaus Zangger . Z.K. . . 25684 6 Hanna Lindermuth . L.H. . . 25684 7 Monika Oberer . O.M. . . 25684 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25684 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Oberer . 25684 2 . Wagner . 25684 3 . Zangger . 25684 4 . OBERERGroup . 25684 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ABHD5 . 25684 CGI-58 . 25684 'Lipid Droplet Anchor' . 25684 'SOLUTION S' . 25684 'Solution Structure' . 25684 TRANSFERASE . 25684 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 25684 spectral_peak_list 10 25684 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 216 25684 '15N chemical shifts' 71 25684 '1H chemical shifts' 662 25684 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 . . 2016-08-12 2015-07-01 update BMRB 'update entry citation' 25684 1 . . 2015-09-14 2015-07-01 original author 'original release' 25684 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5a4h 'PDBe entry' 25684 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25684 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26350461 _Citation.Full_citation . _Citation.Title ; Structure of a CGI-58 Motif Provides the Molecular Basis of Lipid Droplet Anchoring ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 44 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 26361 _Citation.Page_last 26372 _Citation.Year 2015 _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 Andras Boeszoermenyi . B.A. . . 25684 1 2 Haribabu Arthanari . A.H. . . 25684 1 3 Gerhard Wagner . G.W. . . 25684 1 4 Harald Nagy . N.H.M. . . 25684 1 5 Klaus Zangger . Z.K. . . 25684 1 6 Hanna Lindermuth . L.H. . . 25684 1 7 Monika Oberer . O.M. . . 25684 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25684 _Assembly.ID 1 _Assembly.Name 'LIPID DROPLET ANCHORING PEPTIDE OF CGI-58' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 3976.3072 _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 'wr10 43' 1 $wr10_43 A . yes native no no . . . 25684 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_wr10_43 _Entity.Sf_category entity _Entity.Sf_framecode wr10_43 _Entity.Entry_ID 25684 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name wr10_43 _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 ; GAMGSVDSADAGGGSGWLTG WLPTWCPTSTSHLKEAEEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-TERMINAL PEPTIDE, RESIDUES 10-43' _Entity.Mutation . _Entity.EC_number 2.3.1.51 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3976.3072 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB TmpAcc . TmpAcc . . . . . . . . . . . . . . 25684 1 2 yes UNP ABHD5_MOUSE . Q9DBL9 . . . . . . . . . . . . . . 25684 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2.3.1.51 EC 25684 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 5 GLY . 25684 1 2 6 ALA . 25684 1 3 7 MET . 25684 1 4 8 GLY . 25684 1 5 9 SER . 25684 1 6 10 VAL . 25684 1 7 11 ASP . 25684 1 8 12 SER . 25684 1 9 13 ALA . 25684 1 10 14 ASP . 25684 1 11 15 ALA . 25684 1 12 16 GLY . 25684 1 13 17 GLY . 25684 1 14 18 GLY . 25684 1 15 19 SER . 25684 1 16 20 GLY . 25684 1 17 21 TRP . 25684 1 18 22 LEU . 25684 1 19 23 THR . 25684 1 20 24 GLY . 25684 1 21 25 TRP . 25684 1 22 26 LEU . 25684 1 23 27 PRO . 25684 1 24 28 THR . 25684 1 25 29 TRP . 25684 1 26 30 CYS . 25684 1 27 31 PRO . 25684 1 28 32 THR . 25684 1 29 33 SER . 25684 1 30 34 THR . 25684 1 31 35 SER . 25684 1 32 36 HIS . 25684 1 33 37 LEU . 25684 1 34 38 LYS . 25684 1 35 39 GLU . 25684 1 36 40 ALA . 25684 1 37 41 GLU . 25684 1 38 42 GLU . 25684 1 39 43 LYS . 25684 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 . GLY 1 1 25684 1 . ALA 2 2 25684 1 . MET 3 3 25684 1 . GLY 4 4 25684 1 . SER 5 5 25684 1 . VAL 6 6 25684 1 . ASP 7 7 25684 1 . SER 8 8 25684 1 . ALA 9 9 25684 1 . ASP 10 10 25684 1 . ALA 11 11 25684 1 . GLY 12 12 25684 1 . GLY 13 13 25684 1 . GLY 14 14 25684 1 . SER 15 15 25684 1 . GLY 16 16 25684 1 . TRP 17 17 25684 1 . LEU 18 18 25684 1 . THR 19 19 25684 1 . GLY 20 20 25684 1 . TRP 21 21 25684 1 . LEU 22 22 25684 1 . PRO 23 23 25684 1 . THR 24 24 25684 1 . TRP 25 25 25684 1 . CYS 26 26 25684 1 . PRO 27 27 25684 1 . THR 28 28 25684 1 . SER 29 29 25684 1 . THR 30 30 25684 1 . SER 31 31 25684 1 . HIS 32 32 25684 1 . LEU 33 33 25684 1 . LYS 34 34 25684 1 . GLU 35 35 25684 1 . ALA 36 36 25684 1 . GLU 37 37 25684 1 . GLU 38 38 25684 1 . LYS 39 39 25684 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25684 _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 $wr10_43 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25684 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 25684 _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 $wr10_43 . 'recombinant technology' 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . . ESCHERICHIA COLI BL21(DE3) . . . . . pSumo . . . 25684 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 25684 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 wr10_43 '[U-13C; U-15N]' . . 1 $wr10_43 . . 1 . . mM . . . . 25684 4 2 NaPP 'natural abundance' . . . . . . 20 . . mM . . . . 25684 4 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25684 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25684 4 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25684 4 stop_ save_ save_wr10_43_1 _Sample.Sf_category sample _Sample.Sf_framecode wr10_43_1 _Sample.Entry_ID 25684 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 wr10_43 '[U-13C; U-15N]' . . 1 $wr10_43 . . 1 . . mM . . . . 25684 1 2 NaPP 'natural abundance' . . . . . . 20 . . mM . . . . 25684 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25684 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25684 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25684 1 stop_ save_ save_wr10_43_D2O _Sample.Sf_category sample _Sample.Sf_framecode wr10_43_D2O _Sample.Entry_ID 25684 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 wr10_43 '[U-13C; U-15N]' . . 1 $wr10_43 . . 1 . . mM . . . . 25684 2 2 NaPP 'natural abundance' . . . . . . 20 . . mM . . . . 25684 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25684 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25684 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25684 2 stop_ save_ save_wr18_39 _Sample.Sf_category sample _Sample.Sf_framecode wr18_39 _Sample.Entry_ID 25684 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 wr10_43 '[U-13C; U-15N]' . . 1 $wr10_43 . . 1 . . mM . . . . 25684 3 2 NaPP 'natural abundance' . . . . . . 20 . . mM . . . . 25684 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25684 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25684 3 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25684 3 stop_ save_ ####################### # Sample conditions # ####################### save_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 1 _Sample_condition_list.Entry_ID 25684 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM NaPP, 50 mM NaCl, 1 mM EDTA, 5 mM DTT, pH 6.0' 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' 70.000 . mM 25684 1 pH 6.000 . pH 25684 1 pressure 1.000 . atm 25684 1 temperature 310.000 . K 25684 1 stop_ save_ save_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 2 _Sample_condition_list.Entry_ID 25684 _Sample_condition_list.ID 2 _Sample_condition_list.Details '20 mM NaPP, 50 mM NaCl, 1 mM EDTA, 5 mM DTT, pH 6.0' 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' 70.000 . mM 25684 2 pH 6.000 . pH 25684 2 pressure 1.000 . atm 25684 2 temperature 303.000 . K 25684 2 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25684 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25684 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis, peak integration, distance restraint calibration' 25684 1 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 25684 _Software.ID 2 _Software.Type . _Software.Name Cyana _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GUNTERT . . 25684 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Simulated annealing' 25684 2 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 25684 _Software.ID 3 _Software.Type . _Software.Name TALOS+ _Software.Version 1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio. and Bax' . . 25684 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Prediction of dihedral angle restraints' 25684 3 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 25684 _Software.ID 4 _Software.Type . _Software.Name nmrDraw _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' . . 25684 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum display' 25684 4 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25684 _Software.ID 5 _Software.Type . _Software.Name nmrPipe _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio' . . 25684 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 25684 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_600 _NMR_spectrometer.Entry_ID 25684 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Varian_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_700 _NMR_spectrometer.Entry_ID 25684 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model dd2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Bruker_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_750 _NMR_spectrometer.Entry_ID 25684 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_Varian_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_500 _NMR_spectrometer.Entry_ID 25684 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_900 _NMR_spectrometer.Entry_ID 25684 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_BRUKER_DD2-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_DD2-600 _NMR_spectrometer.Entry_ID 25684 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25684 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_600 Bruker Avance . 600 . . . 25684 1 2 Varian_700 Varian dd2 . 700 . . . 25684 1 3 Bruker_750 Bruker Avance . 750 . . . 25684 1 4 Varian_500 Varian UnityInova . 500 . . . 25684 1 5 Bruker_900 Bruker Avance . 900 . . . 25684 1 6 BRUKER_DD2-600 Bruker DD2 . 600 . . . 25684 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 25684 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 1 $Bruker_600 . . . . . . . . . . . . . . . . 25684 1 2 'HNCACB (H[N[ca[CB]]])' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 1 $Bruker_600 . . . . . . . . . . . . . . . . 25684 1 3 '3D HNCA' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 1 $Bruker_600 . . . . . . . . . . . . . . . . 25684 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 2 $Varian_700 . . . . . . . . . . . . . . . . 25684 1 5 'HNCACO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 1 $Bruker_600 . . . . . . . . . . . . . . . . 25684 1 6 'HCCONH (HccoNH)' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 3 $Bruker_750 . . . . . . . . . . . . . . . . 25684 1 7 'CCONH (hC_cacoNH.relayed)' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 4 $Varian_500 . . . . . . . . . . . . . . . . 25684 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 4 $Varian_500 . . . . . . . . . . . . . . . . 25684 1 9 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 2 $wr10_43_D2O isotropic . . 1 $1 . . . 5 $Bruker_900 . . . . . . . . . . . . . . . . 25684 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $wr10_43_D2O isotropic . . 1 $1 . . . 5 $Bruker_900 . . . . . . . . . . . . . . . . 25684 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $wr18_39 isotropic . . 2 $2 . . . 5 $Bruker_900 . . . . . . . . . . . . . . . . 25684 1 12 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 1 $1 . . . 2 $Varian_700 . . . . . . . . . . . . . . . . 25684 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $wr10_43_1 isotropic . . 2 $2 . . . 5 $Bruker_900 . . . . . . . . . . . . . . . . 25684 1 14 HNCA no . . . . . . . . . . 4 $sample_new_1 solution . . 1 $1 . . . 6 $BRUKER_DD2-600 . . . . . . . . . . . . . . . . 25684 1 15 HNCACB no . . . . . . . . . . 4 $sample_new_1 solution . . 1 $1 . . . 6 $BRUKER_DD2-600 . . . . . . . . . . . . . . . . 25684 1 16 HNCACO no . . . . . . . . . . 4 $sample_new_1 solution . . 1 $1 . . . 6 $BRUKER_DD2-600 . . . . . . . . . . . . . . . . 25684 1 17 HSQC no . . . . . . . . . . 4 $sample_new_1 solution . . 1 $1 . . . 6 $BRUKER_DD2-600 . . . . . . . . . . . . . . . . 25684 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25684 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . 25684 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25684 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25684 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 11 '2D 1H-1H NOESY' 3 $wr18_39 isotropic 25684 1 13 '2D 1H-1H TOCSY' 1 $wr10_43_1 isotropic 25684 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25684 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 15 15 SER H H 1 8.726 0.001 . 1 . . 33 . . 19 SER H . 25684 1 2 . 1 1 15 15 SER HA H 1 4.445 . . 1 . . 224 . . 19 SER HA . 25684 1 3 . 1 1 15 15 SER HB2 H 1 3.783 . . 2 . . 225 . . 19 SER HB2 . 25684 1 4 . 1 1 15 15 SER HB3 H 1 3.808 . . 2 . . 404 . . 19 SER HB3 . 25684 1 5 . 1 1 16 16 GLY H H 1 8.600 0.001 . 1 . . 23 . . 20 GLY H . 25684 1 6 . 1 1 16 16 GLY HA2 H 1 3.973 0.0 . 1 . . 226 . . 20 GLY HA2 . 25684 1 7 . 1 1 16 16 GLY HA3 H 1 3.973 0.0 . 1 . . 312 . . 20 GLY HA3 . 25684 1 8 . 1 1 17 17 TRP H H 1 8.360 0.001 . 1 . . 21 . . 21 TRP H . 25684 1 9 . 1 1 17 17 TRP HA H 1 4.438 0.0 . 1 . . 227 . . 21 TRP HA . 25684 1 10 . 1 1 17 17 TRP HB2 H 1 3.313 0.001 . 2 . . 228 . . 21 TRP HB2 . 25684 1 11 . 1 1 17 17 TRP HB3 H 1 3.195 0.001 . 2 . . 386 . . 21 TRP HB3 . 25684 1 12 . 1 1 17 17 TRP HD1 H 1 7.408 0.001 . 1 . . 403 . . 21 TRP HD1 . 25684 1 13 . 1 1 17 17 TRP HE1 H 1 10.635 0.005 . 1 . . 406 . . 21 TRP HE1 . 25684 1 14 . 1 1 17 17 TRP HZ2 H 1 7.371 0.002 . 1 . . 392 . . 21 TRP HZ2 . 25684 1 15 . 1 1 18 18 LEU H H 1 7.986 0.002 . 1 . . 17 . . 22 LEU H . 25684 1 16 . 1 1 18 18 LEU HA H 1 3.957 0.002 . 1 . . 229 . . 22 LEU HA . 25684 1 17 . 1 1 18 18 LEU HB2 H 1 1.265 0.002 . 2 . . 230 . . 22 LEU HB2 . 25684 1 18 . 1 1 18 18 LEU HB3 H 1 1.391 0.001 . 2 . . 355 . . 22 LEU HB3 . 25684 1 19 . 1 1 18 18 LEU HD11 H 1 0.529 0.001 . 1 . . 341 . . 22 LEU HD11 . 25684 1 20 . 1 1 18 18 LEU HD12 H 1 0.529 0.001 . 1 . . 341 . . 22 LEU HD12 . 25684 1 21 . 1 1 18 18 LEU HD13 H 1 0.529 0.001 . 1 . . 341 . . 22 LEU HD13 . 25684 1 22 . 1 1 18 18 LEU HD21 H 1 0.675 0.002 . 1 . . 381 . . 22 LEU HD21 . 25684 1 23 . 1 1 18 18 LEU HD22 H 1 0.675 0.002 . 1 . . 381 . . 22 LEU HD22 . 25684 1 24 . 1 1 18 18 LEU HD23 H 1 0.675 0.002 . 1 . . 381 . . 22 LEU HD23 . 25684 1 25 . 1 1 19 19 THR H H 1 7.674 0.001 . 1 . . 1 . . 23 THR H . 25684 1 26 . 1 1 19 19 THR HA H 1 3.916 0.001 . 1 . . 233 . . 23 THR HA . 25684 1 27 . 1 1 19 19 THR HB H 1 4.125 0.001 . 1 . . 314 . . 23 THR HB . 25684 1 28 . 1 1 19 19 THR HG21 H 1 1.132 0.0 . 1 . . 317 . . 23 THR HG21 . 25684 1 29 . 1 1 19 19 THR HG22 H 1 1.132 0.0 . 1 . . 317 . . 23 THR HG22 . 25684 1 30 . 1 1 19 19 THR HG23 H 1 1.132 0.0 . 1 . . 317 . . 23 THR HG23 . 25684 1 31 . 1 1 20 20 GLY H H 1 8.271 0.002 . 1 . . 313 . . 24 GLY H . 25684 1 32 . 1 1 20 20 GLY HA2 H 1 3.818 0.001 . 1 . . 235 . . 24 GLY HA2 . 25684 1 33 . 1 1 20 20 GLY HA3 H 1 3.818 0.001 . 1 . . 315 . . 24 GLY HA3 . 25684 1 34 . 1 1 21 21 TRP H H 1 7.727 0.002 . 1 . . 3 . . 25 TRP H . 25684 1 35 . 1 1 21 21 TRP HA H 1 4.402 . . 1 . . 238 . . 25 TRP HA . 25684 1 36 . 1 1 21 21 TRP HB2 H 1 3.092 0.001 . 2 . . 236 . . 25 TRP HB2 . 25684 1 37 . 1 1 21 21 TRP HB3 H 1 3.230 0.0 . 2 . . 237 . . 25 TRP HB3 . 25684 1 38 . 1 1 21 21 TRP HD1 H 1 7.170 0.002 . 1 . . 405 . . 25 TRP HD1 . 25684 1 39 . 1 1 21 21 TRP HE1 H 1 10.184 0.001 . 1 . . 407 . . 25 TRP HE1 . 25684 1 40 . 1 1 21 21 TRP HZ2 H 1 7.381 . . 1 . . 391 . . 25 TRP HZ2 . 25684 1 41 . 1 1 22 22 LEU H H 1 7.259 0.001 . 1 . . 158 . . 26 LEU H . 25684 1 42 . 1 1 22 22 LEU HA H 1 4.197 0.002 . 1 . . 387 . . 26 LEU HA . 25684 1 43 . 1 1 22 22 LEU HB2 H 1 1.472 0.001 . 2 . . 309 . . 26 LEU HB2 . 25684 1 44 . 1 1 22 22 LEU HB3 H 1 1.515 0.001 . 2 . . 362 . . 26 LEU HB3 . 25684 1 45 . 1 1 22 22 LEU HG H 1 1.262 0.001 . 1 . . 370 . . 26 LEU HG . 25684 1 46 . 1 1 22 22 LEU HD11 H 1 0.765 0.001 . 2 . . 408 . . 26 LEU HD11 . 25684 1 47 . 1 1 22 22 LEU HD12 H 1 0.765 0.001 . 2 . . 408 . . 26 LEU HD12 . 25684 1 48 . 1 1 22 22 LEU HD13 H 1 0.765 0.001 . 2 . . 408 . . 26 LEU HD13 . 25684 1 49 . 1 1 22 22 LEU HD21 H 1 0.699 0.001 . 1 . . 414 . . 26 LEU HD21 . 25684 1 50 . 1 1 22 22 LEU HD22 H 1 0.699 0.001 . 1 . . 414 . . 26 LEU HD22 . 25684 1 51 . 1 1 22 22 LEU HD23 H 1 0.699 0.001 . 1 . . 414 . . 26 LEU HD23 . 25684 1 52 . 1 1 23 23 PRO HA H 1 4.321 0.0 . 1 . . 371 . . 27 PRO HA . 25684 1 53 . 1 1 23 23 PRO HB2 H 1 1.728 0.161 . 1 . . 372 . . 27 PRO HB2 . 25684 1 54 . 1 1 23 23 PRO HB3 H 1 1.728 0.161 . 1 . . 373 . . 27 PRO HB3 . 25684 1 55 . 1 1 23 23 PRO HG2 H 1 1.369 0.001 . 1 . . 331 . . 27 PRO HG2 . 25684 1 56 . 1 1 23 23 PRO HG3 H 1 1.369 0.001 . 1 . . 342 . . 27 PRO HG3 . 25684 1 57 . 1 1 23 23 PRO HD2 H 1 3.588 0.001 . 1 . . 375 . . 27 PRO HD2 . 25684 1 58 . 1 1 23 23 PRO HD3 H 1 3.588 0.001 . 1 . . 388 . . 27 PRO HD3 . 25684 1 59 . 1 1 24 24 THR H H 1 8.440 0.002 . 1 . . 399 . . 28 THR H . 25684 1 60 . 1 1 24 24 THR HA H 1 3.971 0.002 . 1 . . 401 . . 28 THR HA . 25684 1 61 . 1 1 24 24 THR HB H 1 4.170 0.001 . 1 . . 296 . . 28 THR HB . 25684 1 62 . 1 1 24 24 THR HG21 H 1 1.177 0.0 . 1 . . 402 . . 28 THR HG21 . 25684 1 63 . 1 1 24 24 THR HG22 H 1 1.177 0.0 . 1 . . 402 . . 28 THR HG22 . 25684 1 64 . 1 1 24 24 THR HG23 H 1 1.177 0.0 . 1 . . 402 . . 28 THR HG23 . 25684 1 65 . 1 1 25 25 TRP H H 1 7.147 0.001 . 1 . . 335 . . 29 TRP H . 25684 1 66 . 1 1 25 25 TRP HA H 1 4.541 . . 1 . . 384 . . 29 TRP HA . 25684 1 67 . 1 1 25 25 TRP HB2 H 1 3.368 0.003 . 2 . . 242 . . 29 TRP HB2 . 25684 1 68 . 1 1 25 25 TRP HB3 H 1 3.160 0.002 . 2 . . 243 . . 29 TRP HB3 . 25684 1 69 . 1 1 25 25 TRP HD1 H 1 7.287 0.001 . 1 . . 390 . . 29 TRP HD1 . 25684 1 70 . 1 1 25 25 TRP HE1 H 1 10.716 0.0 . 1 . . 385 . . 29 TRP HE1 . 25684 1 71 . 1 1 25 25 TRP HZ2 H 1 7.392 . . 1 . . 409 . . 29 TRP HZ2 . 25684 1 72 . 1 1 26 26 CYS H H 1 7.496 0.0 . 1 . . 400 . . 30 CYS H . 25684 1 73 . 1 1 26 26 CYS HA H 1 4.463 . . 1 . . 398 . . 30 CYS HA . 25684 1 74 . 1 1 26 26 CYS HB2 H 1 2.713 0.003 . 2 . . 290 . . 30 CYS HB2 . 25684 1 75 . 1 1 26 26 CYS HB3 H 1 2.275 0.006 . 2 . . 396 . . 30 CYS HB3 . 25684 1 76 . 1 1 27 27 PRO HA H 1 4.453 . . 1 . . 412 . . 31 PRO HA . 25684 1 77 . 1 1 27 27 PRO HB2 H 1 2.303 0.004 . 1 . . 246 . . 31 PRO HB2 . 25684 1 78 . 1 1 27 27 PRO HB3 H 1 2.303 0.004 . 1 . . 247 . . 31 PRO HB3 . 25684 1 79 . 1 1 27 27 PRO HG2 H 1 1.937 0.001 . 1 . . 394 . . 31 PRO HG2 . 25684 1 80 . 1 1 27 27 PRO HG3 H 1 1.937 0.001 . 1 . . 395 . . 31 PRO HG3 . 25684 1 81 . 1 1 27 27 PRO HD2 H 1 3.736 0.001 . 1 . . 245 . . 31 PRO HD2 . 25684 1 82 . 1 1 27 27 PRO HD3 H 1 3.736 0.001 . 1 . . 357 . . 31 PRO HD3 . 25684 1 83 . 1 1 28 28 THR H H 1 8.108 0.001 . 1 . . 124 . . 32 THR H . 25684 1 84 . 1 1 28 28 THR HA H 1 4.305 0.0 . 1 . . 411 . . 32 THR HA . 25684 1 85 . 1 1 28 28 THR HG21 H 1 1.109 . . 1 . . 250 . . 32 THR HG21 . 25684 1 86 . 1 1 28 28 THR HG22 H 1 1.109 . . 1 . . 250 . . 32 THR HG22 . 25684 1 87 . 1 1 28 28 THR HG23 H 1 1.109 . . 1 . . 250 . . 32 THR HG23 . 25684 1 88 . 1 1 29 29 SER H H 1 8.053 0.002 . 1 . . 119 . . 33 SER H . 25684 1 89 . 1 1 29 29 SER HA H 1 4.482 . . 1 . . 251 . . 33 SER HA . 25684 1 90 . 1 1 29 29 SER HB2 H 1 3.892 0.003 . 2 . . 252 . . 33 SER HB2 . 25684 1 91 . 1 1 29 29 SER HB3 H 1 3.749 0.001 . 2 . . 253 . . 33 SER HB3 . 25684 1 92 . 1 1 30 30 THR H H 1 8.267 0.002 . 1 . . 129 . . 34 THR H . 25684 1 93 . 1 1 30 30 THR HA H 1 4.262 0.001 . 1 . . 325 . . 34 THR HA . 25684 1 94 . 1 1 30 30 THR HG21 H 1 1.127 . . 1 . . 256 . . 34 THR HG21 . 25684 1 95 . 1 1 30 30 THR HG22 H 1 1.127 . . 1 . . 256 . . 34 THR HG22 . 25684 1 96 . 1 1 30 30 THR HG23 H 1 1.127 . . 1 . . 256 . . 34 THR HG23 . 25684 1 97 . 1 1 31 31 SER H H 1 8.127 0.002 . 1 . . 99 . . 35 SER H . 25684 1 98 . 1 1 31 31 SER HA H 1 4.269 0.0 . 1 . . 326 . . 35 SER HA . 25684 1 99 . 1 1 31 31 SER HB2 H 1 3.736 0.001 . 1 . . 291 . . 35 SER HB2 . 25684 1 100 . 1 1 32 32 HIS H H 1 8.357 0.002 . 1 . . 337 . . 36 HIS H . 25684 1 101 . 1 1 32 32 HIS HB2 H 1 3.257 0.001 . 2 . . 258 . . 36 HIS HB2 . 25684 1 102 . 1 1 32 32 HIS HB3 H 1 3.058 0.001 . 2 . . 259 . . 36 HIS HB3 . 25684 1 103 . 1 1 33 33 LEU H H 1 8.076 0.001 . 1 . . 27 . . 37 LEU H . 25684 1 104 . 1 1 33 33 LEU HA H 1 4.257 . . 1 . . 327 . . 37 LEU HA . 25684 1 105 . 1 1 33 33 LEU HB2 H 1 1.522 . . 2 . . 261 . . 37 LEU HB2 . 25684 1 106 . 1 1 33 33 LEU HB3 H 1 1.609 0.001 . 2 . . 262 . . 37 LEU HB3 . 25684 1 107 . 1 1 33 33 LEU HD11 H 1 0.858 . . 2 . . 264 . . 37 LEU HD11 . 25684 1 108 . 1 1 33 33 LEU HD12 H 1 0.858 . . 2 . . 264 . . 37 LEU HD12 . 25684 1 109 . 1 1 33 33 LEU HD13 H 1 0.858 . . 2 . . 264 . . 37 LEU HD13 . 25684 1 110 . 1 1 33 33 LEU HD21 H 1 0.809 0.001 . 2 . . 265 . . 37 LEU HD21 . 25684 1 111 . 1 1 33 33 LEU HD22 H 1 0.809 0.001 . 2 . . 265 . . 37 LEU HD22 . 25684 1 112 . 1 1 33 33 LEU HD23 H 1 0.809 0.001 . 2 . . 265 . . 37 LEU HD23 . 25684 1 113 . 1 1 34 34 LYS H H 1 8.082 0.002 . 1 . . 29 . . 38 LYS H . 25684 1 114 . 1 1 34 34 LYS HA H 1 4.274 . . 1 . . 266 . . 38 LYS HA . 25684 1 115 . 1 1 34 34 LYS HB2 H 1 1.675 . . 2 . . 272 . . 38 LYS HB2 . 25684 1 116 . 1 1 34 34 LYS HB3 H 1 1.793 . . 2 . . 273 . . 38 LYS HB3 . 25684 1 117 . 1 1 34 34 LYS HG2 H 1 1.353 . . 1 . . 268 . . 38 LYS HG2 . 25684 1 118 . 1 1 34 34 LYS HG3 H 1 1.353 . . 1 . . 269 . . 38 LYS HG3 . 25684 1 119 . 1 1 35 35 GLU H H 1 7.924 0.002 . 1 . . 39 . . 39 GLU H . 25684 1 120 . 1 1 35 35 GLU HA H 1 4.077 0.0 . 1 . . 274 . . 39 GLU HA . 25684 1 121 . 1 1 35 35 GLU HB2 H 1 1.828 0.002 . 1 . . 275 . . 39 GLU HB2 . 25684 1 122 . 1 1 35 35 GLU HB3 H 1 1.828 0.002 . 1 . . 276 . . 39 GLU HB3 . 25684 1 123 . 1 1 35 35 GLU HG2 H 1 2.206 . . 2 . . 277 . . 39 GLU HG2 . 25684 1 124 . 1 1 35 35 GLU HG3 H 1 1.998 0.003 . 2 . . 413 . . 39 GLU HG3 . 25684 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '2D 1H-13C HSQC/HMQC' 2 $wr10_43_D2O isotropic 25684 2 10 '3D 1H-13C NOESY' 2 $wr10_43_D2O isotropic 25684 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25684 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 ALA HA H 1 4.423 0.001 . 1 . . 193 . . 6 ALA HA . 25684 2 2 . 1 1 2 2 ALA HB1 H 1 1.440 0.0 . 1 . . 194 . . 6 ALA HB1 . 25684 2 3 . 1 1 2 2 ALA HB2 H 1 1.440 0.0 . 1 . . 194 . . 6 ALA HB2 . 25684 2 4 . 1 1 2 2 ALA HB3 H 1 1.440 0.0 . 1 . . 194 . . 6 ALA HB3 . 25684 2 5 . 1 1 2 2 ALA CA C 13 52.208 . . 1 . . 73 . . 6 ALA CA . 25684 2 6 . 1 1 2 2 ALA CB C 13 18.684 . . 1 . . 159 . . 6 ALA CB . 25684 2 7 . 1 1 3 3 MET HA H 1 4.526 0.001 . 1 . . 195 . . 7 MET HA . 25684 2 8 . 1 1 3 3 MET HB2 H 1 2.664 0.029 . 2 . . 198 . . 7 MET HB2 . 25684 2 9 . 1 1 3 3 MET HB3 H 1 2.615 0.0 . 2 . . 361 . . 7 MET HB3 . 25684 2 10 . 1 1 3 3 MET CA C 13 55.311 . . 1 . . 72 . . 7 MET CA . 25684 2 11 . 1 1 3 3 MET CB C 13 31.742 0.007 . 1 . . 56 . . 7 MET CB . 25684 2 12 . 1 1 4 4 GLY HA2 H 1 4.041 0.034 . 1 . . 199 . . 8 GLY HA2 . 25684 2 13 . 1 1 4 4 GLY CA C 13 44.799 0.006 . 1 . . 81 . . 8 GLY CA . 25684 2 14 . 1 1 5 5 SER HA H 1 4.574 0.005 . 1 . . 200 . . 9 SER HA . 25684 2 15 . 1 1 5 5 SER HB2 H 1 3.924 0.0 . 1 . . 201 . . 9 SER HB2 . 25684 2 16 . 1 1 5 5 SER CA C 13 57.743 . . 1 . . 76 . . 9 SER CA . 25684 2 17 . 1 1 5 5 SER CB C 13 63.556 0.0 . 1 . . 106 . . 9 SER CB . 25684 2 18 . 1 1 6 6 VAL HA H 1 4.238 0.003 . 1 . . 202 . . 10 VAL HA . 25684 2 19 . 1 1 6 6 VAL HB H 1 2.178 0.0 . 1 . . 203 . . 10 VAL HB . 25684 2 20 . 1 1 6 6 VAL HG11 H 1 0.994 0.004 . 2 . . 204 . . 10 VAL HG11 . 25684 2 21 . 1 1 6 6 VAL HG12 H 1 0.994 0.004 . 2 . . 204 . . 10 VAL HG12 . 25684 2 22 . 1 1 6 6 VAL HG13 H 1 0.994 0.004 . 2 . . 204 . . 10 VAL HG13 . 25684 2 23 . 1 1 6 6 VAL HG21 H 1 0.989 . . 2 . . 379 . . 10 VAL HG21 . 25684 2 24 . 1 1 6 6 VAL HG22 H 1 0.989 . . 2 . . 379 . . 10 VAL HG22 . 25684 2 25 . 1 1 6 6 VAL HG23 H 1 0.989 . . 2 . . 379 . . 10 VAL HG23 . 25684 2 26 . 1 1 6 6 VAL CA C 13 61.968 . . 1 . . 75 . . 10 VAL CA . 25684 2 27 . 1 1 6 6 VAL CB C 13 32.414 . . 1 . . 59 . . 10 VAL CB . 25684 2 28 . 1 1 6 6 VAL CG1 C 13 20.870 . . 2 . . 162 . . 10 VAL CG1 . 25684 2 29 . 1 1 6 6 VAL CG2 C 13 19.967 . . 2 . . 161 . . 10 VAL CG2 . 25684 2 30 . 1 1 7 7 ASP HA H 1 4.704 0.0 . 1 . . 207 . . 11 ASP HA . 25684 2 31 . 1 1 7 7 ASP HB2 H 1 2.786 0.0 . 2 . . 205 . . 11 ASP HB2 . 25684 2 32 . 1 1 7 7 ASP HB3 H 1 2.678 0.0 . 2 . . 206 . . 11 ASP HB3 . 25684 2 33 . 1 1 7 7 ASP CA C 13 53.989 . . 1 . . 87 . . 11 ASP CA . 25684 2 34 . 1 1 7 7 ASP CB C 13 41.059 0.003 . 1 . . 163 . . 11 ASP CB . 25684 2 35 . 1 1 8 8 SER HA H 1 4.457 0.001 . 1 . . 208 . . 12 SER HA . 25684 2 36 . 1 1 8 8 SER HB2 H 1 3.972 0.0 . 2 . . 209 . . 12 SER HB2 . 25684 2 37 . 1 1 8 8 SER HB3 H 1 3.873 0.0 . 2 . . 210 . . 12 SER HB3 . 25684 2 38 . 1 1 8 8 SER CA C 13 58.149 0.025 . 1 . . 94 . . 12 SER CA . 25684 2 39 . 1 1 8 8 SER CB C 13 63.355 0.014 . 1 . . 93 . . 12 SER CB . 25684 2 40 . 1 1 9 9 ALA HA H 1 4.355 0.0 . 1 . . 211 . . 13 ALA HA . 25684 2 41 . 1 1 9 9 ALA HB1 H 1 1.453 0.0 . 1 . . 212 . . 13 ALA HB1 . 25684 2 42 . 1 1 9 9 ALA HB2 H 1 1.453 0.0 . 1 . . 212 . . 13 ALA HB2 . 25684 2 43 . 1 1 9 9 ALA HB3 H 1 1.453 0.0 . 1 . . 212 . . 13 ALA HB3 . 25684 2 44 . 1 1 9 9 ALA CA C 13 52.639 . . 1 . . 77 . . 13 ALA CA . 25684 2 45 . 1 1 9 9 ALA CB C 13 18.975 0.0 . 1 . . 60 . . 13 ALA CB . 25684 2 46 . 1 1 10 10 ASP HA H 1 4.627 0.001 . 1 . . 213 . . 14 ASP HA . 25684 2 47 . 1 1 10 10 ASP HB2 H 1 2.769 0.003 . 2 . . 214 . . 14 ASP HB2 . 25684 2 48 . 1 1 10 10 ASP HB3 H 1 2.680 0.002 . 2 . . 215 . . 14 ASP HB3 . 25684 2 49 . 1 1 10 10 ASP CA C 13 53.940 0.005 . 1 . . 74 . . 14 ASP CA . 25684 2 50 . 1 1 10 10 ASP CB C 13 41.019 0.001 . 1 . . 57 . . 14 ASP CB . 25684 2 51 . 1 1 11 11 ALA HA H 1 4.374 0.0 . 1 . . 217 . . 15 ALA HA . 25684 2 52 . 1 1 11 11 ALA HB1 H 1 1.468 0.003 . 1 . . 216 . . 15 ALA HB1 . 25684 2 53 . 1 1 11 11 ALA HB2 H 1 1.468 0.003 . 1 . . 216 . . 15 ALA HB2 . 25684 2 54 . 1 1 11 11 ALA HB3 H 1 1.468 0.003 . 1 . . 216 . . 15 ALA HB3 . 25684 2 55 . 1 1 11 11 ALA CA C 13 52.535 0.0 . 1 . . 88 . . 15 ALA CA . 25684 2 56 . 1 1 11 11 ALA CB C 13 19.046 . . 1 . . 103 . . 15 ALA CB . 25684 2 57 . 1 1 12 12 GLY HA2 H 1 4.049 . . 2 . . 218 . . 16 GLY HA2 . 25684 2 58 . 1 1 12 12 GLY HA3 H 1 3.999 . . 2 . . 219 . . 16 GLY HA3 . 25684 2 59 . 1 1 12 12 GLY CA C 13 44.983 0.012 . 1 . . 92 . . 16 GLY CA . 25684 2 60 . 1 1 13 13 GLY HA2 H 1 4.071 . . 2 . . 220 . . 17 GLY HA2 . 25684 2 61 . 1 1 13 13 GLY HA3 H 1 4.017 . . 2 . . 221 . . 17 GLY HA3 . 25684 2 62 . 1 1 13 13 GLY CA C 13 44.854 0.006 . 1 . . 104 . . 17 GLY CA . 25684 2 63 . 1 1 14 14 GLY HA2 H 1 4.093 . . 2 . . 222 . . 18 GLY HA2 . 25684 2 64 . 1 1 14 14 GLY HA3 H 1 4.047 . . 2 . . 223 . . 18 GLY HA3 . 25684 2 65 . 1 1 14 14 GLY CA C 13 44.799 0.012 . 1 . . 105 . . 18 GLY CA . 25684 2 66 . 1 1 15 15 SER HA H 1 4.464 0.0 . 1 . . 224 . . 19 SER HA . 25684 2 67 . 1 1 15 15 SER HB2 H 1 3.903 0.008 . 1 . . 225 . . 19 SER HB2 . 25684 2 68 . 1 1 15 15 SER CA C 13 58.159 0.0 . 1 . . 86 . . 19 SER CA . 25684 2 69 . 1 1 15 15 SER CB C 13 63.480 0.0 . 1 . . 67 . . 19 SER CB . 25684 2 70 . 1 1 16 16 GLY HA2 H 1 4.066 . . 1 . . 226 . . 20 GLY HA2 . 25684 2 71 . 1 1 16 16 GLY CA C 13 45.149 . . 1 . . 80 . . 20 GLY CA . 25684 2 72 . 1 1 17 17 TRP HB2 H 1 3.297 0.038 . 1 . . 228 . . 21 TRP HB2 . 25684 2 73 . 1 1 17 17 TRP CB C 13 29.085 0.01 . 1 . . 348 . . 21 TRP CB . 25684 2 74 . 1 1 18 18 LEU HA H 1 4.320 0.002 . 1 . . 229 . . 22 LEU HA . 25684 2 75 . 1 1 18 18 LEU HB2 H 1 1.543 0.006 . 2 . . 230 . . 22 LEU HB2 . 25684 2 76 . 1 1 18 18 LEU HB3 H 1 1.512 0.005 . 2 . . 355 . . 22 LEU HB3 . 25684 2 77 . 1 1 18 18 LEU HG H 1 1.387 0.002 . 1 . . 367 . . 22 LEU HG . 25684 2 78 . 1 1 18 18 LEU HD11 H 1 0.875 0.001 . 1 . . 365 . . 22 LEU HD11 . 25684 2 79 . 1 1 18 18 LEU HD12 H 1 0.875 0.001 . 1 . . 365 . . 22 LEU HD12 . 25684 2 80 . 1 1 18 18 LEU HD13 H 1 0.875 0.001 . 1 . . 365 . . 22 LEU HD13 . 25684 2 81 . 1 1 18 18 LEU HD21 H 1 0.793 0.002 . 1 . . 381 . . 22 LEU HD21 . 25684 2 82 . 1 1 18 18 LEU HD22 H 1 0.793 0.002 . 1 . . 381 . . 22 LEU HD22 . 25684 2 83 . 1 1 18 18 LEU HD23 H 1 0.793 0.002 . 1 . . 381 . . 22 LEU HD23 . 25684 2 84 . 1 1 18 18 LEU CA C 13 55.083 0.0 . 1 . . 368 . . 22 LEU CA . 25684 2 85 . 1 1 18 18 LEU CB C 13 41.938 0.059 . 1 . . 354 . . 22 LEU CB . 25684 2 86 . 1 1 18 18 LEU CG C 13 26.485 0.008 . 1 . . 166 . . 22 LEU CG . 25684 2 87 . 1 1 18 18 LEU CD1 C 13 24.614 . . 1 . . 366 . . 22 LEU CD1 . 25684 2 88 . 1 1 18 18 LEU CD2 C 13 23.192 0.011 . 1 . . 364 . . 22 LEU CD2 . 25684 2 89 . 1 1 19 19 THR HA H 1 3.969 . . 1 . . 233 . . 23 THR HA . 25684 2 90 . 1 1 19 19 THR HB H 1 4.211 0.001 . 1 . . 234 . . 23 THR HB . 25684 2 91 . 1 1 19 19 THR HG21 H 1 1.229 0.0 . 1 . . 232 . . 23 THR HG21 . 25684 2 92 . 1 1 19 19 THR HG22 H 1 1.229 0.0 . 1 . . 232 . . 23 THR HG22 . 25684 2 93 . 1 1 19 19 THR HG23 H 1 1.229 0.0 . 1 . . 232 . . 23 THR HG23 . 25684 2 94 . 1 1 19 19 THR CA C 13 63.688 . . 1 . . 351 . . 23 THR CA . 25684 2 95 . 1 1 19 19 THR CB C 13 69.221 0.003 . 1 . . 352 . . 23 THR CB . 25684 2 96 . 1 1 19 19 THR CG2 C 13 21.392 . . 1 . . 369 . . 23 THR CG2 . 25684 2 97 . 1 1 20 20 GLY HA2 H 1 3.956 . . 1 . . 235 . . 24 GLY HA2 . 25684 2 98 . 1 1 20 20 GLY CA C 13 45.265 . . 1 . . 350 . . 24 GLY CA . 25684 2 99 . 1 1 21 21 TRP HA H 1 4.567 0.001 . 1 . . 238 . . 25 TRP HA . 25684 2 100 . 1 1 21 21 TRP HB3 H 1 3.248 0.019 . 1 . . 237 . . 25 TRP HB3 . 25684 2 101 . 1 1 21 21 TRP HD1 H 1 7.209 . . 1 . . 363 . . 25 TRP HD1 . 25684 2 102 . 1 1 21 21 TRP HE3 H 1 7.545 . . 1 . . 389 . . 25 TRP HE3 . 25684 2 103 . 1 1 21 21 TRP CA C 13 57.300 0.021 . 1 . . 70 . . 25 TRP CA . 25684 2 104 . 1 1 21 21 TRP CB C 13 29.549 0.005 . 1 . . 346 . . 25 TRP CB . 25684 2 105 . 1 1 22 22 LEU HA H 1 4.511 0.001 . 1 . . 360 . . 26 LEU HA . 25684 2 106 . 1 1 22 22 LEU HB2 H 1 1.426 0.003 . 2 . . 309 . . 26 LEU HB2 . 25684 2 107 . 1 1 22 22 LEU HB3 H 1 1.386 0.003 . 2 . . 362 . . 26 LEU HB3 . 25684 2 108 . 1 1 22 22 LEU HG H 1 1.519 . . 1 . . 370 . . 26 LEU HG . 25684 2 109 . 1 1 22 22 LEU HD11 H 1 0.886 0.004 . 2 . . 293 . . 26 LEU HD11 . 25684 2 110 . 1 1 22 22 LEU HD12 H 1 0.886 0.004 . 2 . . 293 . . 26 LEU HD12 . 25684 2 111 . 1 1 22 22 LEU HD13 H 1 0.886 0.004 . 2 . . 293 . . 26 LEU HD13 . 25684 2 112 . 1 1 22 22 LEU HD21 H 1 0.850 . . 2 . . 383 . . 26 LEU HD21 . 25684 2 113 . 1 1 22 22 LEU HD22 H 1 0.850 . . 2 . . 383 . . 26 LEU HD22 . 25684 2 114 . 1 1 22 22 LEU HD23 H 1 0.850 . . 2 . . 383 . . 26 LEU HD23 . 25684 2 115 . 1 1 22 22 LEU CA C 13 52.214 0.011 . 1 . . 71 . . 26 LEU CA . 25684 2 116 . 1 1 22 22 LEU CB C 13 42.426 0.002 . 1 . . 55 . . 26 LEU CB . 25684 2 117 . 1 1 22 22 LEU CD1 C 13 23.577 . . 1 . . 298 . . 26 LEU CD1 . 25684 2 118 . 1 1 22 22 LEU CD2 C 13 24.990 . . 1 . . 297 . . 26 LEU CD2 . 25684 2 119 . 1 1 23 23 PRO HA H 1 4.236 0.003 . 1 . . 371 . . 27 PRO HA . 25684 2 120 . 1 1 23 23 PRO HB2 H 1 1.716 0.003 . 2 . . 372 . . 27 PRO HB2 . 25684 2 121 . 1 1 23 23 PRO HB3 H 1 2.154 0.001 . 2 . . 373 . . 27 PRO HB3 . 25684 2 122 . 1 1 23 23 PRO HG3 H 1 1.933 0.0 . 1 . . 342 . . 27 PRO HG3 . 25684 2 123 . 1 1 23 23 PRO HD2 H 1 3.545 0.001 . 2 . . 375 . . 27 PRO HD2 . 25684 2 124 . 1 1 23 23 PRO HD3 H 1 3.515 0.004 . 2 . . 388 . . 27 PRO HD3 . 25684 2 125 . 1 1 23 23 PRO CA C 13 62.850 0.0 . 1 . . 112 . . 27 PRO CA . 25684 2 126 . 1 1 23 23 PRO CB C 13 31.530 0.007 . 1 . . 113 . . 27 PRO CB . 25684 2 127 . 1 1 23 23 PRO CG C 13 26.906 . . 1 . . 295 . . 27 PRO CG . 25684 2 128 . 1 1 23 23 PRO CD C 13 49.992 0.004 . 1 . . 374 . . 27 PRO CD . 25684 2 129 . 1 1 24 24 THR HA H 1 4.280 0.001 . 1 . . 240 . . 28 THR HA . 25684 2 130 . 1 1 24 24 THR HB H 1 4.273 0.001 . 1 . . 296 . . 28 THR HB . 25684 2 131 . 1 1 24 24 THR HG21 H 1 1.240 0.0 . 1 . . 239 . . 28 THR HG21 . 25684 2 132 . 1 1 24 24 THR HG22 H 1 1.240 0.0 . 1 . . 239 . . 28 THR HG22 . 25684 2 133 . 1 1 24 24 THR HG23 H 1 1.240 0.0 . 1 . . 239 . . 28 THR HG23 . 25684 2 134 . 1 1 24 24 THR CA C 13 61.973 0.002 . 1 . . 167 . . 28 THR CA . 25684 2 135 . 1 1 24 24 THR CB C 13 69.187 0.003 . 1 . . 116 . . 28 THR CB . 25684 2 136 . 1 1 24 24 THR CG2 C 13 21.237 . . 1 . . 376 . . 28 THR CG2 . 25684 2 137 . 1 1 25 25 TRP HA H 1 4.702 0.002 . 1 . . 241 . . 29 TRP HA . 25684 2 138 . 1 1 25 25 TRP HB2 H 1 3.343 . . 2 . . 242 . . 29 TRP HB2 . 25684 2 139 . 1 1 25 25 TRP HB3 H 1 3.300 0.003 . 2 . . 243 . . 29 TRP HB3 . 25684 2 140 . 1 1 25 25 TRP HD1 H 1 7.266 . . 1 . . 390 . . 29 TRP HD1 . 25684 2 141 . 1 1 25 25 TRP HE3 H 1 7.573 . . 1 . . 336 . . 29 TRP HE3 . 25684 2 142 . 1 1 25 25 TRP CA C 13 57.030 0.021 . 1 . . 117 . . 29 TRP CA . 25684 2 143 . 1 1 25 25 TRP CB C 13 29.206 . . 1 . . 347 . . 29 TRP CB . 25684 2 144 . 1 1 26 26 CYS HA H 1 4.663 0.001 . 1 . . 398 . . 30 CYS HA . 25684 2 145 . 1 1 26 26 CYS HB2 H 1 2.806 0.001 . 2 . . 290 . . 30 CYS HB2 . 25684 2 146 . 1 1 26 26 CYS HB3 H 1 2.720 0.003 . 2 . . 396 . . 30 CYS HB3 . 25684 2 147 . 1 1 26 26 CYS CA C 13 55.617 0.003 . 1 . . 377 . . 30 CYS CA . 25684 2 148 . 1 1 26 26 CYS CB C 13 27.389 0.003 . 1 . . 397 . . 30 CYS CB . 25684 2 149 . 1 1 27 27 PRO HA H 1 4.320 0.003 . 1 . . 356 . . 31 PRO HA . 25684 2 150 . 1 1 27 27 PRO HB2 H 1 1.993 0.003 . 2 . . 246 . . 31 PRO HB2 . 25684 2 151 . 1 1 27 27 PRO HB3 H 1 2.311 0.002 . 2 . . 247 . . 31 PRO HB3 . 25684 2 152 . 1 1 27 27 PRO HG3 H 1 2.017 0.0 . 1 . . 395 . . 31 PRO HG3 . 25684 2 153 . 1 1 27 27 PRO HD2 H 1 3.689 0.0 . 2 . . 245 . . 31 PRO HD2 . 25684 2 154 . 1 1 27 27 PRO HD3 H 1 3.441 0.002 . 2 . . 357 . . 31 PRO HD3 . 25684 2 155 . 1 1 27 27 PRO CA C 13 63.150 0.009 . 1 . . 127 . . 31 PRO CA . 25684 2 156 . 1 1 27 27 PRO CB C 13 31.877 0.006 . 1 . . 126 . . 31 PRO CB . 25684 2 157 . 1 1 27 27 PRO CG C 13 26.877 0.006 . 1 . . 359 . . 31 PRO CG . 25684 2 158 . 1 1 27 27 PRO CD C 13 50.373 0.003 . 1 . . 358 . . 31 PRO CD . 25684 2 159 . 1 1 28 28 THR HA H 1 4.447 0.001 . 1 . . 248 . . 32 THR HA . 25684 2 160 . 1 1 28 28 THR HB H 1 4.343 0.001 . 1 . . 353 . . 32 THR HB . 25684 2 161 . 1 1 28 28 THR HG21 H 1 1.262 0.008 . 1 . . 250 . . 32 THR HG21 . 25684 2 162 . 1 1 28 28 THR HG22 H 1 1.262 0.008 . 1 . . 250 . . 32 THR HG22 . 25684 2 163 . 1 1 28 28 THR HG23 H 1 1.262 0.008 . 1 . . 250 . . 32 THR HG23 . 25684 2 164 . 1 1 28 28 THR CA C 13 61.583 0.0 . 1 . . 121 . . 32 THR CA . 25684 2 165 . 1 1 28 28 THR CB C 13 69.329 0.016 . 1 . . 125 . . 32 THR CB . 25684 2 166 . 1 1 28 28 THR CG2 C 13 21.416 . . 1 . . 168 . . 32 THR CG2 . 25684 2 167 . 1 1 29 29 SER HA H 1 4.584 0.0 . 1 . . 251 . . 33 SER HA . 25684 2 168 . 1 1 29 29 SER HB2 H 1 3.945 0.002 . 2 . . 252 . . 33 SER HB2 . 25684 2 169 . 1 1 29 29 SER HB3 H 1 3.904 . . 2 . . 253 . . 33 SER HB3 . 25684 2 170 . 1 1 29 29 SER CA C 13 58.031 . . 1 . . 122 . . 33 SER CA . 25684 2 171 . 1 1 29 29 SER CB C 13 63.434 0.021 . 1 . . 120 . . 33 SER CB . 25684 2 172 . 1 1 30 30 THR HA H 1 4.302 . . 1 . . 255 . . 34 THR HA . 25684 2 173 . 1 1 30 30 THR HB H 1 4.351 0.006 . 1 . . 254 . . 34 THR HB . 25684 2 174 . 1 1 30 30 THR HG21 H 1 1.256 0.001 . 1 . . 256 . . 34 THR HG21 . 25684 2 175 . 1 1 30 30 THR HG22 H 1 1.256 0.001 . 1 . . 256 . . 34 THR HG22 . 25684 2 176 . 1 1 30 30 THR HG23 H 1 1.256 0.001 . 1 . . 256 . . 34 THR HG23 . 25684 2 177 . 1 1 30 30 THR CA C 13 61.625 . . 1 . . 101 . . 34 THR CA . 25684 2 178 . 1 1 30 30 THR CB C 13 69.128 . . 1 . . 130 . . 34 THR CB . 25684 2 179 . 1 1 30 30 THR CG2 C 13 21.121 . . 1 . . 169 . . 34 THR CG2 . 25684 2 180 . 1 1 31 31 SER HB2 H 1 3.870 . . 1 . . 291 . . 35 SER HB2 . 25684 2 181 . 1 1 31 31 SER CB C 13 63.649 . . 1 . . 100 . . 35 SER CB . 25684 2 182 . 1 1 32 32 HIS HA H 1 4.733 0.0 . 1 . . 257 . . 36 HIS HA . 25684 2 183 . 1 1 32 32 HIS HB2 H 1 3.276 0.025 . 2 . . 258 . . 36 HIS HB2 . 25684 2 184 . 1 1 32 32 HIS HB3 H 1 3.168 0.003 . 2 . . 259 . . 36 HIS HB3 . 25684 2 185 . 1 1 32 32 HIS CA C 13 55.490 . . 1 . . 83 . . 36 HIS CA . 25684 2 186 . 1 1 32 32 HIS CB C 13 29.437 . . 1 . . 63 . . 36 HIS CB . 25684 2 187 . 1 1 33 33 LEU HA H 1 4.374 0.001 . 1 . . 260 . . 37 LEU HA . 25684 2 188 . 1 1 33 33 LEU HB2 H 1 1.675 0.001 . 2 . . 261 . . 37 LEU HB2 . 25684 2 189 . 1 1 33 33 LEU HB3 H 1 1.616 0.003 . 2 . . 262 . . 37 LEU HB3 . 25684 2 190 . 1 1 33 33 LEU HG H 1 1.523 0.009 . 1 . . 263 . . 37 LEU HG . 25684 2 191 . 1 1 33 33 LEU HD11 H 1 0.961 0.004 . 2 . . 264 . . 37 LEU HD11 . 25684 2 192 . 1 1 33 33 LEU HD12 H 1 0.961 0.004 . 2 . . 264 . . 37 LEU HD12 . 25684 2 193 . 1 1 33 33 LEU HD13 H 1 0.961 0.004 . 2 . . 264 . . 37 LEU HD13 . 25684 2 194 . 1 1 33 33 LEU HD21 H 1 0.896 0.01 . 2 . . 265 . . 37 LEU HD21 . 25684 2 195 . 1 1 33 33 LEU HD22 H 1 0.896 0.01 . 2 . . 265 . . 37 LEU HD22 . 25684 2 196 . 1 1 33 33 LEU HD23 H 1 0.896 0.01 . 2 . . 265 . . 37 LEU HD23 . 25684 2 197 . 1 1 33 33 LEU CA C 13 54.820 0.041 . 1 . . 82 . . 37 LEU CA . 25684 2 198 . 1 1 33 33 LEU CB C 13 42.017 0.011 . 1 . . 64 . . 37 LEU CB . 25684 2 199 . 1 1 33 33 LEU CG C 13 26.595 . . 1 . . 173 . . 37 LEU CG . 25684 2 200 . 1 1 33 33 LEU CD1 C 13 24.638 0.0 . 2 . . 174 . . 37 LEU CD1 . 25684 2 201 . 1 1 33 33 LEU CD2 C 13 23.197 0.009 . 2 . . 175 . . 37 LEU CD2 . 25684 2 202 . 1 1 34 34 LYS HA H 1 4.350 0.001 . 1 . . 266 . . 38 LYS HA . 25684 2 203 . 1 1 34 34 LYS HB2 H 1 1.895 0.001 . 2 . . 272 . . 38 LYS HB2 . 25684 2 204 . 1 1 34 34 LYS HB3 H 1 1.813 0.002 . 2 . . 273 . . 38 LYS HB3 . 25684 2 205 . 1 1 34 34 LYS HG2 H 1 1.494 0.0 . 2 . . 268 . . 38 LYS HG2 . 25684 2 206 . 1 1 34 34 LYS HG3 H 1 1.477 . . 2 . . 269 . . 38 LYS HG3 . 25684 2 207 . 1 1 34 34 LYS HD2 H 1 1.711 . . 2 . . 270 . . 38 LYS HD2 . 25684 2 208 . 1 1 34 34 LYS HD3 H 1 1.745 0.0 . 2 . . 271 . . 38 LYS HD3 . 25684 2 209 . 1 1 34 34 LYS HE2 H 1 3.049 0.0 . 1 . . 267 . . 38 LYS HE2 . 25684 2 210 . 1 1 34 34 LYS CA C 13 56.073 0.0 . 1 . . 84 . . 38 LYS CA . 25684 2 211 . 1 1 34 34 LYS CB C 13 32.721 0.008 . 1 . . 65 . . 38 LYS CB . 25684 2 212 . 1 1 34 34 LYS CD C 13 28.715 0.001 . 1 . . 177 . . 38 LYS CD . 25684 2 213 . 1 1 34 34 LYS CE C 13 41.622 . . 1 . . 176 . . 38 LYS CE . 25684 2 214 . 1 1 35 35 GLU HA H 1 4.303 0.0 . 1 . . 274 . . 39 GLU HA . 25684 2 215 . 1 1 35 35 GLU HB2 H 1 2.140 0.0 . 2 . . 275 . . 39 GLU HB2 . 25684 2 216 . 1 1 35 35 GLU HB3 H 1 2.014 0.001 . 2 . . 276 . . 39 GLU HB3 . 25684 2 217 . 1 1 35 35 GLU HG2 H 1 2.358 0.0 . 1 . . 277 . . 39 GLU HG2 . 25684 2 218 . 1 1 35 35 GLU CA C 13 56.435 0.001 . 1 . . 89 . . 39 GLU CA . 25684 2 219 . 1 1 35 35 GLU CB C 13 29.861 0.001 . 1 . . 343 . . 39 GLU CB . 25684 2 220 . 1 1 35 35 GLU CG C 13 35.916 0.0 . 1 . . 179 . . 39 GLU CG . 25684 2 221 . 1 1 36 36 ALA HA H 1 4.356 0.0 . 1 . . 278 . . 40 ALA HA . 25684 2 222 . 1 1 36 36 ALA HB1 H 1 1.465 0.0 . 1 . . 279 . . 40 ALA HB1 . 25684 2 223 . 1 1 36 36 ALA HB2 H 1 1.465 0.0 . 1 . . 279 . . 40 ALA HB2 . 25684 2 224 . 1 1 36 36 ALA HB3 H 1 1.465 0.0 . 1 . . 279 . . 40 ALA HB3 . 25684 2 225 . 1 1 36 36 ALA CA C 13 52.291 0.001 . 1 . . 78 . . 40 ALA CA . 25684 2 226 . 1 1 36 36 ALA CB C 13 18.793 . . 1 . . 58 . . 40 ALA CB . 25684 2 227 . 1 1 37 37 GLU HA H 1 4.344 . . 1 . . 280 . . 41 GLU HA . 25684 2 228 . 1 1 37 37 GLU HB2 H 1 2.131 . . 2 . . 283 . . 41 GLU HB2 . 25684 2 229 . 1 1 37 37 GLU HB3 H 1 2.001 . . 2 . . 284 . . 41 GLU HB3 . 25684 2 230 . 1 1 37 37 GLU HG2 H 1 2.352 . . 2 . . 281 . . 41 GLU HG2 . 25684 2 231 . 1 1 37 37 GLU HG3 H 1 2.252 . . 2 . . 282 . . 41 GLU HG3 . 25684 2 232 . 1 1 37 37 GLU CA C 13 56.247 . . 1 . . 91 . . 41 GLU CA . 25684 2 233 . 1 1 37 37 GLU CB C 13 30.203 0.003 . 1 . . 345 . . 41 GLU CB . 25684 2 234 . 1 1 37 37 GLU CG C 13 36.425 0.003 . 1 . . 349 . . 41 GLU CG . 25684 2 235 . 1 1 38 38 GLU HA H 1 4.358 . . 1 . . 285 . . 42 GLU HA . 25684 2 236 . 1 1 38 38 GLU HB2 H 1 2.119 . . 2 . . 287 . . 42 GLU HB2 . 25684 2 237 . 1 1 38 38 GLU HB3 H 1 1.999 . . 2 . . 288 . . 42 GLU HB3 . 25684 2 238 . 1 1 38 38 GLU HG2 H 1 2.327 . . 1 . . 286 . . 42 GLU HG2 . 25684 2 239 . 1 1 38 38 GLU CA C 13 56.258 . . 1 . . 90 . . 42 GLU CA . 25684 2 240 . 1 1 38 38 GLU CB C 13 30.008 . . 1 . . 344 . . 42 GLU CB . 25684 2 241 . 1 1 38 38 GLU CG C 13 35.765 . . 1 . . 186 . . 42 GLU CG . 25684 2 242 . 1 1 39 39 LYS HA H 1 4.239 0.003 . 1 . . 299 . . 43 LYS HA . 25684 2 243 . 1 1 39 39 LYS HB2 H 1 1.901 . . 2 . . 300 . . 43 LYS HB2 . 25684 2 244 . 1 1 39 39 LYS HB3 H 1 1.775 . . 2 . . 303 . . 43 LYS HB3 . 25684 2 245 . 1 1 39 39 LYS CA C 13 57.186 . . 1 . . 85 . . 43 LYS CA . 25684 2 246 . 1 1 39 39 LYS CB C 13 33.504 0.004 . 1 . . 66 . . 43 LYS CB . 25684 2 stop_ save_ save_assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $wr10_43_1 isotropic 25684 3 4 '3D 1H-15N NOESY' 1 $wr10_43_1 isotropic 25684 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25684 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 ALA HA H 1 4.364 . . 1 . . 193 . . 6 ALA HA . 25684 3 2 . 1 1 2 2 ALA HB1 H 1 1.401 . . 1 . . 194 . . 6 ALA HB1 . 25684 3 3 . 1 1 2 2 ALA HB2 H 1 1.401 . . 1 . . 194 . . 6 ALA HB2 . 25684 3 4 . 1 1 2 2 ALA HB3 H 1 1.401 . . 1 . . 194 . . 6 ALA HB3 . 25684 3 5 . 1 1 3 3 MET H H 1 8.560 0.003 . 1 . . 7 . . 7 MET H . 25684 3 6 . 1 1 3 3 MET HA H 1 4.460 0.001 . 1 . . 195 . . 7 MET HA . 25684 3 7 . 1 1 3 3 MET HB2 H 1 2.589 0.032 . 1 . . 198 . . 7 MET HB2 . 25684 3 8 . 1 1 3 3 MET HG2 H 1 2.127 0.004 . 2 . . 196 . . 7 MET HG2 . 25684 3 9 . 1 1 3 3 MET HG3 H 1 2.030 . . 2 . . 197 . . 7 MET HG3 . 25684 3 10 . 1 1 3 3 MET N N 15 119.619 0.0 . 1 . . 8 . . 7 MET N . 25684 3 11 . 1 1 4 4 GLY H H 1 8.414 0.003 . 1 . . 25 . . 8 GLY H . 25684 3 12 . 1 1 4 4 GLY HA2 H 1 3.992 . . 1 . . 199 . . 8 GLY HA2 . 25684 3 13 . 1 1 4 4 GLY N N 15 110.213 . . 1 . . 26 . . 8 GLY N . 25684 3 14 . 1 1 5 5 SER H H 1 8.156 0.001 . 1 . . 49 . . 9 SER H . 25684 3 15 . 1 1 5 5 SER HA H 1 4.510 . . 1 . . 200 . . 9 SER HA . 25684 3 16 . 1 1 5 5 SER HB2 H 1 3.878 0.003 . 1 . . 201 . . 9 SER HB2 . 25684 3 17 . 1 1 5 5 SER N N 15 115.680 0.0 . 1 . . 50 . . 9 SER N . 25684 3 18 . 1 1 6 6 VAL H H 1 8.218 0.002 . 1 . . 11 . . 10 VAL H . 25684 3 19 . 1 1 6 6 VAL HA H 1 4.173 0.006 . 1 . . 202 . . 10 VAL HA . 25684 3 20 . 1 1 6 6 VAL HB H 1 2.122 0.002 . 1 . . 203 . . 10 VAL HB . 25684 3 21 . 1 1 6 6 VAL HG11 H 1 0.935 0.011 . 1 . . 204 . . 10 VAL HG11 . 25684 3 22 . 1 1 6 6 VAL HG12 H 1 0.935 0.011 . 1 . . 204 . . 10 VAL HG12 . 25684 3 23 . 1 1 6 6 VAL HG13 H 1 0.935 0.011 . 1 . . 204 . . 10 VAL HG13 . 25684 3 24 . 1 1 6 6 VAL N N 15 120.988 . . 1 . . 12 . . 10 VAL N . 25684 3 25 . 1 1 7 7 ASP H H 1 8.377 0.003 . 1 . . 35 . . 11 ASP H . 25684 3 26 . 1 1 7 7 ASP HA H 1 4.640 0.001 . 1 . . 207 . . 11 ASP HA . 25684 3 27 . 1 1 7 7 ASP HB2 H 1 2.724 0.002 . 2 . . 205 . . 11 ASP HB2 . 25684 3 28 . 1 1 7 7 ASP HB3 H 1 2.619 . . 2 . . 206 . . 11 ASP HB3 . 25684 3 29 . 1 1 7 7 ASP N N 15 123.609 0.0 . 1 . . 36 . . 11 ASP N . 25684 3 30 . 1 1 8 8 SER H H 1 8.191 0.002 . 1 . . 51 . . 12 SER H . 25684 3 31 . 1 1 8 8 SER HA H 1 4.413 0.006 . 1 . . 208 . . 12 SER HA . 25684 3 32 . 1 1 8 8 SER HB2 H 1 3.917 0.0 . 2 . . 209 . . 12 SER HB2 . 25684 3 33 . 1 1 8 8 SER HB3 H 1 3.852 . . 2 . . 210 . . 12 SER HB3 . 25684 3 34 . 1 1 8 8 SER N N 15 116.317 0.0 . 1 . . 52 . . 12 SER N . 25684 3 35 . 1 1 9 9 ALA H H 1 8.380 0.003 . 1 . . 15 . . 13 ALA H . 25684 3 36 . 1 1 9 9 ALA HA H 1 4.309 . . 1 . . 211 . . 13 ALA HA . 25684 3 37 . 1 1 9 9 ALA HB1 H 1 1.401 . . 1 . . 212 . . 13 ALA HB1 . 25684 3 38 . 1 1 9 9 ALA HB2 H 1 1.401 . . 1 . . 212 . . 13 ALA HB2 . 25684 3 39 . 1 1 9 9 ALA HB3 H 1 1.401 . . 1 . . 212 . . 13 ALA HB3 . 25684 3 40 . 1 1 9 9 ALA N N 15 125.738 0.004 . 1 . . 16 . . 13 ALA N . 25684 3 41 . 1 1 10 10 ASP H H 1 8.155 0.002 . 1 . . 9 . . 14 ASP H . 25684 3 42 . 1 1 10 10 ASP HA H 1 4.580 0.002 . 1 . . 213 . . 14 ASP HA . 25684 3 43 . 1 1 10 10 ASP HB2 H 1 2.712 . . 2 . . 214 . . 14 ASP HB2 . 25684 3 44 . 1 1 10 10 ASP HB3 H 1 2.628 0.003 . 2 . . 215 . . 14 ASP HB3 . 25684 3 45 . 1 1 10 10 ASP N N 15 118.889 0.0 . 1 . . 10 . . 14 ASP N . 25684 3 46 . 1 1 11 11 ALA H H 1 8.195 0.002 . 1 . . 37 . . 15 ALA H . 25684 3 47 . 1 1 11 11 ALA HB1 H 1 1.419 0.004 . 1 . . 216 . . 15 ALA HB1 . 25684 3 48 . 1 1 11 11 ALA HB2 H 1 1.419 0.004 . 1 . . 216 . . 15 ALA HB2 . 25684 3 49 . 1 1 11 11 ALA HB3 H 1 1.419 0.004 . 1 . . 216 . . 15 ALA HB3 . 25684 3 50 . 1 1 11 11 ALA N N 15 124.672 0.0 . 1 . . 38 . . 15 ALA N . 25684 3 51 . 1 1 12 12 GLY H H 1 8.398 0.003 . 1 . . 47 . . 16 GLY H . 25684 3 52 . 1 1 12 12 GLY HA3 H 1 3.977 0.004 . 1 . . 219 . . 16 GLY HA3 . 25684 3 53 . 1 1 12 12 GLY N N 15 107.549 0.013 . 1 . . 48 . . 16 GLY N . 25684 3 54 . 1 1 13 13 GLY H H 1 8.240 0.003 . 1 . . 45 . . 17 GLY H . 25684 3 55 . 1 1 13 13 GLY HA3 H 1 3.984 . . 1 . . 221 . . 17 GLY HA3 . 25684 3 56 . 1 1 13 13 GLY N N 15 108.423 0.004 . 1 . . 46 . . 17 GLY N . 25684 3 57 . 1 1 14 14 GLY H H 1 8.374 0.005 . 1 . . 13 . . 18 GLY H . 25684 3 58 . 1 1 14 14 GLY HA3 H 1 4.006 0.003 . 1 . . 223 . . 18 GLY HA3 . 25684 3 59 . 1 1 14 14 GLY N N 15 108.762 0.009 . 1 . . 14 . . 18 GLY N . 25684 3 60 . 1 1 15 15 SER H H 1 8.294 0.003 . 1 . . 33 . . 19 SER H . 25684 3 61 . 1 1 15 15 SER HA H 1 4.468 0.001 . 1 . . 224 . . 19 SER HA . 25684 3 62 . 1 1 15 15 SER HB2 H 1 3.852 . . 1 . . 225 . . 19 SER HB2 . 25684 3 63 . 1 1 15 15 SER N N 15 115.066 0.007 . 1 . . 34 . . 19 SER N . 25684 3 64 . 1 1 16 16 GLY H H 1 8.478 0.002 . 1 . . 23 . . 20 GLY H . 25684 3 65 . 1 1 16 16 GLY HA3 H 1 3.996 0.002 . 1 . . 312 . . 20 GLY HA3 . 25684 3 66 . 1 1 16 16 GLY N N 15 110.645 0.01 . 1 . . 24 . . 20 GLY N . 25684 3 67 . 1 1 17 17 TRP H H 1 8.243 0.001 . 1 . . 21 . . 21 TRP H . 25684 3 68 . 1 1 17 17 TRP HA H 1 4.509 0.003 . 1 . . 227 . . 21 TRP HA . 25684 3 69 . 1 1 17 17 TRP HB2 H 1 3.263 0.034 . 2 . . 228 . . 21 TRP HB2 . 25684 3 70 . 1 1 17 17 TRP HB3 H 1 3.339 0.0 . 2 . . 386 . . 21 TRP HB3 . 25684 3 71 . 1 1 17 17 TRP HD1 H 1 7.414 0.001 . 1 . . 311 . . 21 TRP HD1 . 25684 3 72 . 1 1 17 17 TRP HE1 H 1 10.316 0.005 . 1 . . 310 . . 21 TRP HE1 . 25684 3 73 . 1 1 17 17 TRP HE3 H 1 6.781 . . 1 . . 330 . . 21 TRP HE3 . 25684 3 74 . 1 1 17 17 TRP N N 15 121.301 0.0 . 1 . . 22 . . 21 TRP N . 25684 3 75 . 1 1 17 17 TRP NE1 N 15 129.844 0.018 . 1 . . 321 . . 21 TRP NE1 . 25684 3 76 . 1 1 18 18 LEU H H 1 7.859 0.003 . 1 . . 17 . . 22 LEU H . 25684 3 77 . 1 1 18 18 LEU HA H 1 4.029 . . 1 . . 229 . . 22 LEU HA . 25684 3 78 . 1 1 18 18 LEU HB2 H 1 1.406 0.005 . 2 . . 230 . . 22 LEU HB2 . 25684 3 79 . 1 1 18 18 LEU HB3 H 1 1.459 0.003 . 2 . . 355 . . 22 LEU HB3 . 25684 3 80 . 1 1 18 18 LEU HG H 1 1.290 0.001 . 1 . . 231 . . 22 LEU HG . 25684 3 81 . 1 1 18 18 LEU HD11 H 1 0.676 0.002 . 1 . . 289 . . 22 LEU HD11 . 25684 3 82 . 1 1 18 18 LEU HD12 H 1 0.676 0.002 . 1 . . 289 . . 22 LEU HD12 . 25684 3 83 . 1 1 18 18 LEU HD13 H 1 0.676 0.002 . 1 . . 289 . . 22 LEU HD13 . 25684 3 84 . 1 1 18 18 LEU HD21 H 1 0.529 0.003 . 1 . . 381 . . 22 LEU HD21 . 25684 3 85 . 1 1 18 18 LEU HD22 H 1 0.529 0.003 . 1 . . 381 . . 22 LEU HD22 . 25684 3 86 . 1 1 18 18 LEU HD23 H 1 0.529 0.003 . 1 . . 381 . . 22 LEU HD23 . 25684 3 87 . 1 1 18 18 LEU N N 15 119.225 0.015 . 1 . . 18 . . 22 LEU N . 25684 3 88 . 1 1 19 19 THR H H 1 7.695 0.002 . 1 . . 1 . . 23 THR H . 25684 3 89 . 1 1 19 19 THR HA H 1 4.020 . . 1 . . 233 . . 23 THR HA . 25684 3 90 . 1 1 19 19 THR HB H 1 4.175 0.002 . 1 . . 314 . . 23 THR HB . 25684 3 91 . 1 1 19 19 THR HG21 H 1 1.165 0.002 . 1 . . 317 . . 23 THR HG21 . 25684 3 92 . 1 1 19 19 THR HG22 H 1 1.165 0.002 . 1 . . 317 . . 23 THR HG22 . 25684 3 93 . 1 1 19 19 THR HG23 H 1 1.165 0.002 . 1 . . 317 . . 23 THR HG23 . 25684 3 94 . 1 1 19 19 THR N N 15 111.186 0.004 . 1 . . 2 . . 23 THR N . 25684 3 95 . 1 1 20 20 GLY H H 1 8.284 0.004 . 1 . . 313 . . 24 GLY H . 25684 3 96 . 1 1 20 20 GLY HA3 H 1 3.894 0.001 . 1 . . 315 . . 24 GLY HA3 . 25684 3 97 . 1 1 20 20 GLY N N 15 109.672 0.035 . 1 . . 107 . . 24 GLY N . 25684 3 98 . 1 1 21 21 TRP H H 1 7.744 0.002 . 1 . . 3 . . 25 TRP H . 25684 3 99 . 1 1 21 21 TRP HA H 1 4.546 0.002 . 1 . . 238 . . 25 TRP HA . 25684 3 100 . 1 1 21 21 TRP HB2 H 1 3.138 0.0 . 2 . . 236 . . 25 TRP HB2 . 25684 3 101 . 1 1 21 21 TRP HB3 H 1 3.251 0.001 . 2 . . 237 . . 25 TRP HB3 . 25684 3 102 . 1 1 21 21 TRP HD1 H 1 7.222 0.001 . 1 . . 363 . . 25 TRP HD1 . 25684 3 103 . 1 1 21 21 TRP HE1 H 1 10.021 0.005 . 1 . . 155 . . 25 TRP HE1 . 25684 3 104 . 1 1 21 21 TRP HZ2 H 1 7.328 . . 1 . . 391 . . 25 TRP HZ2 . 25684 3 105 . 1 1 21 21 TRP HH2 H 1 6.966 . . 1 . . 382 . . 25 TRP HH2 . 25684 3 106 . 1 1 21 21 TRP N N 15 119.299 0.025 . 1 . . 4 . . 25 TRP N . 25684 3 107 . 1 1 21 21 TRP NE1 N 15 129.169 0.001 . 1 . . 380 . . 25 TRP NE1 . 25684 3 108 . 1 1 22 22 LEU H H 1 7.438 0.001 . 1 . . 5 . . 26 LEU H . 25684 3 109 . 1 1 22 22 LEU HB2 H 1 1.419 . . 1 . . 309 . . 26 LEU HB2 . 25684 3 110 . 1 1 22 22 LEU HD11 H 1 0.705 . . 1 . . 316 . . 26 LEU HD11 . 25684 3 111 . 1 1 22 22 LEU HD12 H 1 0.705 . . 1 . . 316 . . 26 LEU HD12 . 25684 3 112 . 1 1 22 22 LEU HD13 H 1 0.705 . . 1 . . 316 . . 26 LEU HD13 . 25684 3 113 . 1 1 22 22 LEU HD21 H 1 0.657 . . 1 . . 378 . . 26 LEU HD21 . 25684 3 114 . 1 1 22 22 LEU HD22 H 1 0.657 . . 1 . . 378 . . 26 LEU HD22 . 25684 3 115 . 1 1 22 22 LEU HD23 H 1 0.657 . . 1 . . 378 . . 26 LEU HD23 . 25684 3 116 . 1 1 22 22 LEU N N 15 120.415 0.008 . 1 . . 6 . . 26 LEU N . 25684 3 117 . 1 1 23 23 PRO HG2 H 1 1.692 . . 1 . . 331 . . 27 PRO HG2 . 25684 3 118 . 1 1 24 24 THR H H 1 7.798 0.005 . 1 . . 318 . . 28 THR H . 25684 3 119 . 1 1 24 24 THR HA H 1 4.228 0.0 . 1 . . 240 . . 28 THR HA . 25684 3 120 . 1 1 24 24 THR HG21 H 1 1.148 . . 1 . . 320 . . 28 THR HG21 . 25684 3 121 . 1 1 24 24 THR HG22 H 1 1.148 . . 1 . . 320 . . 28 THR HG22 . 25684 3 122 . 1 1 24 24 THR HG23 H 1 1.148 . . 1 . . 320 . . 28 THR HG23 . 25684 3 123 . 1 1 24 24 THR N N 15 111.222 0.023 . 1 . . 319 . . 28 THR N . 25684 3 124 . 1 1 25 25 TRP H H 1 7.742 0.002 . 1 . . 335 . . 29 TRP H . 25684 3 125 . 1 1 25 25 TRP HA H 1 4.691 . . 1 . . 241 . . 29 TRP HA . 25684 3 126 . 1 1 25 25 TRP HB2 H 1 3.298 0.002 . 2 . . 242 . . 29 TRP HB2 . 25684 3 127 . 1 1 25 25 TRP HB3 H 1 3.215 0.0 . 2 . . 243 . . 29 TRP HB3 . 25684 3 128 . 1 1 25 25 TRP HD1 H 1 7.288 . . 1 . . 390 . . 29 TRP HD1 . 25684 3 129 . 1 1 25 25 TRP HE3 H 1 7.484 . . 1 . . 336 . . 29 TRP HE3 . 25684 3 130 . 1 1 25 25 TRP N N 15 121.050 0.015 . 1 . . 334 . . 29 TRP N . 25684 3 131 . 1 1 26 26 CYS H H 1 7.955 0.001 . 1 . . 332 . . 30 CYS H . 25684 3 132 . 1 1 26 26 CYS HA H 1 4.692 . . 1 . . 398 . . 30 CYS HA . 25684 3 133 . 1 1 26 26 CYS HB2 H 1 2.804 . . 1 . . 290 . . 30 CYS HB2 . 25684 3 134 . 1 1 26 26 CYS N N 15 119.070 0.015 . 1 . . 333 . . 30 CYS N . 25684 3 135 . 1 1 27 27 PRO HA H 1 4.438 0.003 . 1 . . 324 . . 31 PRO HA . 25684 3 136 . 1 1 27 27 PRO HB2 H 1 1.941 0.004 . 2 . . 246 . . 31 PRO HB2 . 25684 3 137 . 1 1 27 27 PRO HB3 H 1 2.255 0.004 . 2 . . 247 . . 31 PRO HB3 . 25684 3 138 . 1 1 27 27 PRO HD2 H 1 3.619 0.0 . 1 . . 245 . . 31 PRO HD2 . 25684 3 139 . 1 1 28 28 THR H H 1 8.188 0.002 . 1 . . 124 . . 32 THR H . 25684 3 140 . 1 1 28 28 THR HA H 1 4.237 0.002 . 1 . . 323 . . 32 THR HA . 25684 3 141 . 1 1 28 28 THR HB H 1 4.351 0.002 . 1 . . 322 . . 32 THR HB . 25684 3 142 . 1 1 28 28 THR HG21 H 1 1.207 0.002 . 1 . . 250 . . 32 THR HG21 . 25684 3 143 . 1 1 28 28 THR HG22 H 1 1.207 0.002 . 1 . . 250 . . 32 THR HG22 . 25684 3 144 . 1 1 28 28 THR HG23 H 1 1.207 0.002 . 1 . . 250 . . 32 THR HG23 . 25684 3 145 . 1 1 28 28 THR N N 15 113.618 0.009 . 1 . . 123 . . 32 THR N . 25684 3 146 . 1 1 29 29 SER H H 1 8.281 0.001 . 1 . . 119 . . 33 SER H . 25684 3 147 . 1 1 29 29 SER HA H 1 4.535 0.0 . 1 . . 251 . . 33 SER HA . 25684 3 148 . 1 1 29 29 SER HB3 H 1 3.876 . . 1 . . 253 . . 33 SER HB3 . 25684 3 149 . 1 1 29 29 SER N N 15 117.677 0.0 . 1 . . 118 . . 33 SER N . 25684 3 150 . 1 1 30 30 THR H H 1 8.194 0.002 . 1 . . 129 . . 34 THR H . 25684 3 151 . 1 1 30 30 THR HA H 1 4.263 0.0 . 1 . . 325 . . 34 THR HA . 25684 3 152 . 1 1 30 30 THR HG21 H 1 1.188 0.005 . 1 . . 256 . . 34 THR HG21 . 25684 3 153 . 1 1 30 30 THR HG22 H 1 1.188 0.005 . 1 . . 256 . . 34 THR HG22 . 25684 3 154 . 1 1 30 30 THR HG23 H 1 1.188 0.005 . 1 . . 256 . . 34 THR HG23 . 25684 3 155 . 1 1 30 30 THR N N 15 115.410 0.0 . 1 . . 128 . . 34 THR N . 25684 3 156 . 1 1 31 31 SER H H 1 8.216 0.003 . 1 . . 99 . . 35 SER H . 25684 3 157 . 1 1 31 31 SER HA H 1 4.375 . . 1 . . 326 . . 35 SER HA . 25684 3 158 . 1 1 31 31 SER HB2 H 1 3.819 . . 1 . . 291 . . 35 SER HB2 . 25684 3 159 . 1 1 31 31 SER N N 15 117.746 0.0 . 1 . . 98 . . 35 SER N . 25684 3 160 . 1 1 32 32 HIS H H 1 8.447 0.004 . 1 . . 337 . . 36 HIS H . 25684 3 161 . 1 1 32 32 HIS HB2 H 1 3.249 . . 2 . . 258 . . 36 HIS HB2 . 25684 3 162 . 1 1 32 32 HIS HB3 H 1 3.128 . . 2 . . 259 . . 36 HIS HB3 . 25684 3 163 . 1 1 32 32 HIS N N 15 120.607 0.017 . 1 . . 338 . . 36 HIS N . 25684 3 164 . 1 1 33 33 LEU H H 1 8.153 0.001 . 1 . . 27 . . 37 LEU H . 25684 3 165 . 1 1 33 33 LEU HA H 1 4.303 . . 1 . . 327 . . 37 LEU HA . 25684 3 166 . 1 1 33 33 LEU HB2 H 1 1.578 . . 2 . . 261 . . 37 LEU HB2 . 25684 3 167 . 1 1 33 33 LEU HB3 H 1 1.629 . . 2 . . 262 . . 37 LEU HB3 . 25684 3 168 . 1 1 33 33 LEU HG H 1 1.519 . . 1 . . 263 . . 37 LEU HG . 25684 3 169 . 1 1 33 33 LEU HD11 H 1 0.912 0.001 . 2 . . 264 . . 37 LEU HD11 . 25684 3 170 . 1 1 33 33 LEU HD12 H 1 0.912 0.001 . 2 . . 264 . . 37 LEU HD12 . 25684 3 171 . 1 1 33 33 LEU HD13 H 1 0.912 0.001 . 2 . . 264 . . 37 LEU HD13 . 25684 3 172 . 1 1 33 33 LEU HD21 H 1 0.848 0.001 . 2 . . 265 . . 37 LEU HD21 . 25684 3 173 . 1 1 33 33 LEU HD22 H 1 0.848 0.001 . 2 . . 265 . . 37 LEU HD22 . 25684 3 174 . 1 1 33 33 LEU HD23 H 1 0.848 0.001 . 2 . . 265 . . 37 LEU HD23 . 25684 3 175 . 1 1 33 33 LEU N N 15 123.242 0.0 . 1 . . 28 . . 37 LEU N . 25684 3 176 . 1 1 34 34 LYS H H 1 8.282 0.001 . 1 . . 29 . . 38 LYS H . 25684 3 177 . 1 1 34 34 LYS HA H 1 4.301 . . 1 . . 266 . . 38 LYS HA . 25684 3 178 . 1 1 34 34 LYS HB2 H 1 1.850 0.002 . 2 . . 272 . . 38 LYS HB2 . 25684 3 179 . 1 1 34 34 LYS HB3 H 1 1.805 0.0 . 2 . . 273 . . 38 LYS HB3 . 25684 3 180 . 1 1 34 34 LYS HG3 H 1 1.431 0.0 . 1 . . 269 . . 38 LYS HG3 . 25684 3 181 . 1 1 34 34 LYS HD2 H 1 1.720 0.001 . 2 . . 270 . . 38 LYS HD2 . 25684 3 182 . 1 1 34 34 LYS HD3 H 1 1.749 0.002 . 2 . . 271 . . 38 LYS HD3 . 25684 3 183 . 1 1 34 34 LYS N N 15 122.166 0.0 . 1 . . 30 . . 38 LYS N . 25684 3 184 . 1 1 35 35 GLU H H 1 8.451 0.002 . 1 . . 39 . . 39 GLU H . 25684 3 185 . 1 1 35 35 GLU HA H 1 4.283 . . 1 . . 274 . . 39 GLU HA . 25684 3 186 . 1 1 35 35 GLU HB2 H 1 2.070 0.002 . 2 . . 275 . . 39 GLU HB2 . 25684 3 187 . 1 1 35 35 GLU HB3 H 1 1.950 . . 2 . . 276 . . 39 GLU HB3 . 25684 3 188 . 1 1 35 35 GLU HG2 H 1 2.299 0.002 . 1 . . 277 . . 39 GLU HG2 . 25684 3 189 . 1 1 35 35 GLU N N 15 122.287 0.002 . 1 . . 40 . . 39 GLU N . 25684 3 190 . 1 1 36 36 ALA H H 1 8.254 0.003 . 1 . . 19 . . 40 ALA H . 25684 3 191 . 1 1 36 36 ALA HA H 1 4.259 . . 1 . . 328 . . 40 ALA HA . 25684 3 192 . 1 1 36 36 ALA HB1 H 1 1.402 0.0 . 1 . . 279 . . 40 ALA HB1 . 25684 3 193 . 1 1 36 36 ALA HB2 H 1 1.402 0.0 . 1 . . 279 . . 40 ALA HB2 . 25684 3 194 . 1 1 36 36 ALA HB3 H 1 1.402 0.0 . 1 . . 279 . . 40 ALA HB3 . 25684 3 195 . 1 1 36 36 ALA N N 15 124.163 0.0 . 1 . . 20 . . 40 ALA N . 25684 3 196 . 1 1 37 37 GLU H H 1 8.253 0.003 . 1 . . 43 . . 41 GLU H . 25684 3 197 . 1 1 37 37 GLU HA H 1 4.291 . . 1 . . 280 . . 41 GLU HA . 25684 3 198 . 1 1 37 37 GLU HB2 H 1 2.069 0.003 . 2 . . 283 . . 41 GLU HB2 . 25684 3 199 . 1 1 37 37 GLU HB3 H 1 1.946 0.0 . 2 . . 284 . . 41 GLU HB3 . 25684 3 200 . 1 1 37 37 GLU HG3 H 1 2.283 0.0 . 1 . . 282 . . 41 GLU HG3 . 25684 3 201 . 1 1 37 37 GLU N N 15 119.567 . . 1 . . 44 . . 41 GLU N . 25684 3 202 . 1 1 38 38 GLU H H 1 8.313 0.003 . 1 . . 41 . . 42 GLU H . 25684 3 203 . 1 1 38 38 GLU HA H 1 4.289 . . 1 . . 329 . . 42 GLU HA . 25684 3 204 . 1 1 38 38 GLU HB2 H 1 2.065 . . 2 . . 287 . . 42 GLU HB2 . 25684 3 205 . 1 1 38 38 GLU HB3 H 1 1.948 . . 2 . . 288 . . 42 GLU HB3 . 25684 3 206 . 1 1 38 38 GLU HG2 H 1 2.283 . . 1 . . 286 . . 42 GLU HG2 . 25684 3 207 . 1 1 38 38 GLU N N 15 122.512 0.005 . 1 . . 42 . . 42 GLU N . 25684 3 208 . 1 1 39 39 LYS H H 1 7.932 0.002 . 1 . . 31 . . 43 LYS H . 25684 3 209 . 1 1 39 39 LYS HA H 1 4.305 . . 1 . . 292 . . 43 LYS HA . 25684 3 210 . 1 1 39 39 LYS HB2 H 1 1.832 . . 2 . . 300 . . 43 LYS HB2 . 25684 3 211 . 1 1 39 39 LYS HB3 H 1 1.710 . . 2 . . 303 . . 43 LYS HB3 . 25684 3 212 . 1 1 39 39 LYS HE2 H 1 2.589 . . 1 . . 340 . . 43 LYS HE2 . 25684 3 213 . 1 1 39 39 LYS N N 15 127.795 0.0 . 1 . . 32 . . 43 LYS N . 25684 3 stop_ save_ save_assigned_chem_shift_list_1_2_3_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3_4 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $wr10_43_1 isotropic 25684 4 2 'HNCACB (H[N[ca[CB]]])' 1 $wr10_43_1 isotropic 25684 4 3 '3D HNCA' 1 $wr10_43_1 isotropic 25684 4 5 'HNCACO (H[N[ca[CO]]])' 1 $wr10_43_1 isotropic 25684 4 6 'HCCONH (HccoNH)' 1 $wr10_43_1 isotropic 25684 4 7 'CCONH (hC_cacoNH.relayed)' 1 $wr10_43_1 isotropic 25684 4 8 '3D HCCH-TOCSY' 1 $wr10_43_1 isotropic 25684 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25684 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 ALA HA H 1 4.415 . . 1 . . 193 . . 6 ALA HA . 25684 4 2 . 1 1 2 2 ALA HB1 H 1 1.451 . . 1 . . 194 . . 6 ALA HB1 . 25684 4 3 . 1 1 2 2 ALA HB2 H 1 1.451 . . 1 . . 194 . . 6 ALA HB2 . 25684 4 4 . 1 1 2 2 ALA HB3 H 1 1.451 . . 1 . . 194 . . 6 ALA HB3 . 25684 4 5 . 1 1 2 2 ALA C C 13 177.833 . . 1 . . 192 . . 6 ALA C . 25684 4 6 . 1 1 2 2 ALA CA C 13 52.253 . . 1 . . 73 . . 6 ALA CA . 25684 4 7 . 1 1 2 2 ALA CB C 13 19.149 0.005 . 1 . . 159 . . 6 ALA CB . 25684 4 8 . 1 1 3 3 MET H H 1 8.560 0.004 . 1 . . 7 . . 7 MET H . 25684 4 9 . 1 1 3 3 MET HA H 1 4.501 0.008 . 1 . . 195 . . 7 MET HA . 25684 4 10 . 1 1 3 3 MET HB2 H 1 2.633 0.03 . 1 . . 198 . . 7 MET HB2 . 25684 4 11 . 1 1 3 3 MET HG2 H 1 2.161 0.009 . 2 . . 196 . . 7 MET HG2 . 25684 4 12 . 1 1 3 3 MET HG3 H 1 2.074 0.003 . 2 . . 197 . . 7 MET HG3 . 25684 4 13 . 1 1 3 3 MET C C 13 176.651 0.001 . 1 . . 132 . . 7 MET C . 25684 4 14 . 1 1 3 3 MET CA C 13 55.205 0.029 . 1 . . 72 . . 7 MET CA . 25684 4 15 . 1 1 3 3 MET CB C 13 32.401 0.007 . 1 . . 56 . . 7 MET CB . 25684 4 16 . 1 1 3 3 MET CG C 13 31.512 . . 1 . . 160 . . 7 MET CG . 25684 4 17 . 1 1 3 3 MET N N 15 119.291 0.0 . 1 . . 8 . . 7 MET N . 25684 4 18 . 1 1 4 4 GLY H H 1 8.407 0.007 . 1 . . 25 . . 8 GLY H . 25684 4 19 . 1 1 4 4 GLY HA2 H 1 4.045 0.031 . 1 . . 199 . . 8 GLY HA2 . 25684 4 20 . 1 1 4 4 GLY C C 13 174.067 . . 1 . . 131 . . 8 GLY C . 25684 4 21 . 1 1 4 4 GLY CA C 13 44.876 0.011 . 1 . . 81 . . 8 GLY CA . 25684 4 22 . 1 1 4 4 GLY N N 15 109.980 0.007 . 1 . . 26 . . 8 GLY N . 25684 4 23 . 1 1 5 5 SER H H 1 8.168 0.005 . 1 . . 49 . . 9 SER H . 25684 4 24 . 1 1 5 5 SER HA H 1 4.562 . . 1 . . 200 . . 9 SER HA . 25684 4 25 . 1 1 5 5 SER HB2 H 1 3.925 . . 1 . . 201 . . 9 SER HB2 . 25684 4 26 . 1 1 5 5 SER C C 13 174.726 0.003 . 1 . . 133 . . 9 SER C . 25684 4 27 . 1 1 5 5 SER CA C 13 57.836 0.147 . 1 . . 76 . . 9 SER CA . 25684 4 28 . 1 1 5 5 SER CB C 13 63.683 0.013 . 1 . . 106 . . 9 SER CB . 25684 4 29 . 1 1 5 5 SER N N 15 115.641 0.004 . 1 . . 50 . . 9 SER N . 25684 4 30 . 1 1 6 6 VAL H H 1 8.203 0.006 . 1 . . 11 . . 10 VAL H . 25684 4 31 . 1 1 6 6 VAL HA H 1 4.222 0.01 . 1 . . 202 . . 10 VAL HA . 25684 4 32 . 1 1 6 6 VAL HB H 1 2.162 0.008 . 1 . . 203 . . 10 VAL HB . 25684 4 33 . 1 1 6 6 VAL HG11 H 1 0.964 0.016 . 1 . . 204 . . 10 VAL HG11 . 25684 4 34 . 1 1 6 6 VAL HG12 H 1 0.964 0.016 . 1 . . 204 . . 10 VAL HG12 . 25684 4 35 . 1 1 6 6 VAL HG13 H 1 0.964 0.016 . 1 . . 204 . . 10 VAL HG13 . 25684 4 36 . 1 1 6 6 VAL C C 13 175.850 0.007 . 1 . . 134 . . 10 VAL C . 25684 4 37 . 1 1 6 6 VAL CA C 13 61.960 0.068 . 1 . . 75 . . 10 VAL CA . 25684 4 38 . 1 1 6 6 VAL CB C 13 32.286 0.202 . 1 . . 59 . . 10 VAL CB . 25684 4 39 . 1 1 6 6 VAL CG1 C 13 20.766 . . 2 . . 162 . . 10 VAL CG1 . 25684 4 40 . 1 1 6 6 VAL CG2 C 13 19.756 0.015 . 2 . . 161 . . 10 VAL CG2 . 25684 4 41 . 1 1 6 6 VAL N N 15 120.804 0.007 . 1 . . 12 . . 10 VAL N . 25684 4 42 . 1 1 7 7 ASP H H 1 8.355 0.022 . 1 . . 35 . . 11 ASP H . 25684 4 43 . 1 1 7 7 ASP HA H 1 4.677 0.012 . 1 . . 207 . . 11 ASP HA . 25684 4 44 . 1 1 7 7 ASP HB2 H 1 2.761 0.013 . 2 . . 205 . . 11 ASP HB2 . 25684 4 45 . 1 1 7 7 ASP HB3 H 1 2.657 0.009 . 2 . . 206 . . 11 ASP HB3 . 25684 4 46 . 1 1 7 7 ASP C C 13 176.315 0.005 . 1 . . 135 . . 11 ASP C . 25684 4 47 . 1 1 7 7 ASP CA C 13 53.867 0.058 . 1 . . 87 . . 11 ASP CA . 25684 4 48 . 1 1 7 7 ASP CB C 13 41.116 0.023 . 1 . . 163 . . 11 ASP CB . 25684 4 49 . 1 1 7 7 ASP N N 15 123.132 0.17 . 1 . . 36 . . 11 ASP N . 25684 4 50 . 1 1 8 8 SER H H 1 8.181 0.009 . 1 . . 51 . . 12 SER H . 25684 4 51 . 1 1 8 8 SER HA H 1 4.431 0.015 . 1 . . 208 . . 12 SER HA . 25684 4 52 . 1 1 8 8 SER HB2 H 1 3.948 0.013 . 2 . . 209 . . 12 SER HB2 . 25684 4 53 . 1 1 8 8 SER HB3 H 1 3.874 0.024 . 2 . . 210 . . 12 SER HB3 . 25684 4 54 . 1 1 8 8 SER C C 13 174.588 0.004 . 1 . . 136 . . 12 SER C . 25684 4 55 . 1 1 8 8 SER CA C 13 58.009 0.071 . 1 . . 94 . . 12 SER CA . 25684 4 56 . 1 1 8 8 SER CB C 13 63.565 0.089 . 1 . . 93 . . 12 SER CB . 25684 4 57 . 1 1 8 8 SER N N 15 116.170 0.064 . 1 . . 52 . . 12 SER N . 25684 4 58 . 1 1 9 9 ALA H H 1 8.375 0.007 . 1 . . 15 . . 13 ALA H . 25684 4 59 . 1 1 9 9 ALA HA H 1 4.340 0.012 . 1 . . 211 . . 13 ALA HA . 25684 4 60 . 1 1 9 9 ALA HB1 H 1 1.438 0.008 . 1 . . 212 . . 13 ALA HB1 . 25684 4 61 . 1 1 9 9 ALA HB2 H 1 1.438 0.008 . 1 . . 212 . . 13 ALA HB2 . 25684 4 62 . 1 1 9 9 ALA HB3 H 1 1.438 0.008 . 1 . . 212 . . 13 ALA HB3 . 25684 4 63 . 1 1 9 9 ALA C C 13 177.615 0.004 . 1 . . 137 . . 13 ALA C . 25684 4 64 . 1 1 9 9 ALA CA C 13 52.459 0.012 . 1 . . 77 . . 13 ALA CA . 25684 4 65 . 1 1 9 9 ALA CB C 13 18.858 0.01 . 1 . . 60 . . 13 ALA CB . 25684 4 66 . 1 1 9 9 ALA N N 15 125.705 0.003 . 1 . . 16 . . 13 ALA N . 25684 4 67 . 1 1 10 10 ASP H H 1 8.163 0.006 . 1 . . 9 . . 14 ASP H . 25684 4 68 . 1 1 10 10 ASP HA H 1 4.600 0.014 . 1 . . 213 . . 14 ASP HA . 25684 4 69 . 1 1 10 10 ASP HB2 H 1 2.745 0.022 . 2 . . 214 . . 14 ASP HB2 . 25684 4 70 . 1 1 10 10 ASP HB3 H 1 2.666 0.009 . 2 . . 215 . . 14 ASP HB3 . 25684 4 71 . 1 1 10 10 ASP C C 13 176.271 0.007 . 1 . . 138 . . 14 ASP C . 25684 4 72 . 1 1 10 10 ASP CA C 13 53.771 0.086 . 1 . . 74 . . 14 ASP CA . 25684 4 73 . 1 1 10 10 ASP CB C 13 41.060 0.028 . 1 . . 57 . . 14 ASP CB . 25684 4 74 . 1 1 10 10 ASP N N 15 118.864 0.028 . 1 . . 10 . . 14 ASP N . 25684 4 75 . 1 1 11 11 ALA H H 1 8.189 0.007 . 1 . . 37 . . 15 ALA H . 25684 4 76 . 1 1 11 11 ALA HA H 1 4.381 0.004 . 1 . . 217 . . 15 ALA HA . 25684 4 77 . 1 1 11 11 ALA HB1 H 1 1.452 0.017 . 1 . . 216 . . 15 ALA HB1 . 25684 4 78 . 1 1 11 11 ALA HB2 H 1 1.452 0.017 . 1 . . 216 . . 15 ALA HB2 . 25684 4 79 . 1 1 11 11 ALA HB3 H 1 1.452 0.017 . 1 . . 216 . . 15 ALA HB3 . 25684 4 80 . 1 1 11 11 ALA C C 13 178.378 . . 1 . . 139 . . 15 ALA C . 25684 4 81 . 1 1 11 11 ALA CA C 13 52.406 0.004 . 1 . . 88 . . 15 ALA CA . 25684 4 82 . 1 1 11 11 ALA CB C 13 18.903 0.013 . 1 . . 103 . . 15 ALA CB . 25684 4 83 . 1 1 11 11 ALA N N 15 124.558 0.004 . 1 . . 38 . . 15 ALA N . 25684 4 84 . 1 1 12 12 GLY H H 1 8.401 0.005 . 1 . . 47 . . 16 GLY H . 25684 4 85 . 1 1 12 12 GLY HA2 H 1 4.052 . . 2 . . 218 . . 16 GLY HA2 . 25684 4 86 . 1 1 12 12 GLY HA3 H 1 4.004 . . 2 . . 219 . . 16 GLY HA3 . 25684 4 87 . 1 1 12 12 GLY C C 13 174.968 0.001 . 1 . . 140 . . 16 GLY C . 25684 4 88 . 1 1 12 12 GLY CA C 13 45.063 0.009 . 1 . . 92 . . 16 GLY CA . 25684 4 89 . 1 1 12 12 GLY N N 15 107.563 0.016 . 1 . . 48 . . 16 GLY N . 25684 4 90 . 1 1 13 13 GLY H H 1 8.263 0.004 . 1 . . 45 . . 17 GLY H . 25684 4 91 . 1 1 13 13 GLY HA2 H 1 4.072 . . 2 . . 220 . . 17 GLY HA2 . 25684 4 92 . 1 1 13 13 GLY HA3 H 1 4.021 . . 2 . . 221 . . 17 GLY HA3 . 25684 4 93 . 1 1 13 13 GLY C C 13 174.877 0.001 . 1 . . 141 . . 17 GLY C . 25684 4 94 . 1 1 13 13 GLY CA C 13 44.958 0.001 . 1 . . 104 . . 17 GLY CA . 25684 4 95 . 1 1 13 13 GLY N N 15 108.445 0.003 . 1 . . 46 . . 17 GLY N . 25684 4 96 . 1 1 14 14 GLY H H 1 8.411 0.003 . 1 . . 13 . . 18 GLY H . 25684 4 97 . 1 1 14 14 GLY HA2 H 1 4.093 . . 2 . . 222 . . 18 GLY HA2 . 25684 4 98 . 1 1 14 14 GLY HA3 H 1 4.051 . . 2 . . 223 . . 18 GLY HA3 . 25684 4 99 . 1 1 14 14 GLY C C 13 174.354 . . 1 . . 142 . . 18 GLY C . 25684 4 100 . 1 1 14 14 GLY CA C 13 44.901 0.022 . 1 . . 105 . . 18 GLY CA . 25684 4 101 . 1 1 14 14 GLY N N 15 108.770 0.008 . 1 . . 14 . . 18 GLY N . 25684 4 102 . 1 1 15 15 SER H H 1 8.365 0.005 . 1 . . 33 . . 19 SER H . 25684 4 103 . 1 1 15 15 SER HA H 1 4.493 0.013 . 1 . . 224 . . 19 SER HA . 25684 4 104 . 1 1 15 15 SER HB2 H 1 3.910 0.011 . 2 . . 225 . . 19 SER HB2 . 25684 4 105 . 1 1 15 15 SER HB3 H 1 3.808 . . 2 . . 404 . . 19 SER HB3 . 25684 4 106 . 1 1 15 15 SER C C 13 175.212 0.001 . 1 . . 143 . . 19 SER C . 25684 4 107 . 1 1 15 15 SER CA C 13 58.194 0.048 . 1 . . 86 . . 19 SER CA . 25684 4 108 . 1 1 15 15 SER CB C 13 63.638 0.008 . 1 . . 67 . . 19 SER CB . 25684 4 109 . 1 1 15 15 SER N N 15 115.273 0.011 . 1 . . 34 . . 19 SER N . 25684 4 110 . 1 1 16 16 GLY H H 1 8.515 0.004 . 1 . . 23 . . 20 GLY H . 25684 4 111 . 1 1 16 16 GLY HA2 H 1 4.079 . . 2 . . 226 . . 20 GLY HA2 . 25684 4 112 . 1 1 16 16 GLY HA3 H 1 3.973 . . 2 . . 312 . . 20 GLY HA3 . 25684 4 113 . 1 1 16 16 GLY C C 13 174.950 0.005 . 1 . . 144 . . 20 GLY C . 25684 4 114 . 1 1 16 16 GLY CA C 13 45.342 0.01 . 1 . . 80 . . 20 GLY CA . 25684 4 115 . 1 1 16 16 GLY N N 15 110.641 0.01 . 1 . . 24 . . 20 GLY N . 25684 4 116 . 1 1 17 17 TRP H H 1 8.470 0.004 . 1 . . 21 . . 21 TRP H . 25684 4 117 . 1 1 17 17 TRP HA H 1 4.559 . . 1 . . 227 . . 21 TRP HA . 25684 4 118 . 1 1 17 17 TRP HB2 H 1 3.366 0.04 . 2 . . 228 . . 21 TRP HB2 . 25684 4 119 . 1 1 17 17 TRP HB3 H 1 3.195 . . 2 . . 386 . . 21 TRP HB3 . 25684 4 120 . 1 1 17 17 TRP HD1 H 1 7.408 . . 1 . . 403 . . 21 TRP HD1 . 25684 4 121 . 1 1 17 17 TRP HE1 H 1 10.635 . . 1 . . 406 . . 21 TRP HE1 . 25684 4 122 . 1 1 17 17 TRP HZ2 H 1 7.371 . . 1 . . 392 . . 21 TRP HZ2 . 25684 4 123 . 1 1 17 17 TRP C C 13 176.720 0.01 . 1 . . 145 . . 21 TRP C . 25684 4 124 . 1 1 17 17 TRP CA C 13 58.473 0.005 . 1 . . 79 . . 21 TRP CA . 25684 4 125 . 1 1 17 17 TRP CB C 13 28.961 0.006 . 1 . . 62 . . 21 TRP CB . 25684 4 126 . 1 1 17 17 TRP N N 15 121.655 0.003 . 1 . . 22 . . 21 TRP N . 25684 4 127 . 1 1 18 18 LEU H H 1 8.158 0.036 . 1 . . 17 . . 22 LEU H . 25684 4 128 . 1 1 18 18 LEU HA H 1 4.115 . . 1 . . 229 . . 22 LEU HA . 25684 4 129 . 1 1 18 18 LEU HB2 H 1 1.553 . . 2 . . 230 . . 22 LEU HB2 . 25684 4 130 . 1 1 18 18 LEU HB3 H 1 1.441 . . 2 . . 355 . . 22 LEU HB3 . 25684 4 131 . 1 1 18 18 LEU HG H 1 1.293 . . 1 . . 231 . . 22 LEU HG . 25684 4 132 . 1 1 18 18 LEU HD11 H 1 0.697 0.071 . 1 . . 289 . . 22 LEU HD11 . 25684 4 133 . 1 1 18 18 LEU HD12 H 1 0.697 0.071 . 1 . . 289 . . 22 LEU HD12 . 25684 4 134 . 1 1 18 18 LEU HD13 H 1 0.697 0.071 . 1 . . 289 . . 22 LEU HD13 . 25684 4 135 . 1 1 18 18 LEU HD21 H 1 0.767 0.001 . 1 . . 381 . . 22 LEU HD21 . 25684 4 136 . 1 1 18 18 LEU HD22 H 1 0.767 0.001 . 1 . . 381 . . 22 LEU HD22 . 25684 4 137 . 1 1 18 18 LEU HD23 H 1 0.767 0.001 . 1 . . 381 . . 22 LEU HD23 . 25684 4 138 . 1 1 18 18 LEU C C 13 177.419 0.003 . 1 . . 146 . . 22 LEU C . 25684 4 139 . 1 1 18 18 LEU CA C 13 55.793 0.226 . 1 . . 69 . . 22 LEU CA . 25684 4 140 . 1 1 18 18 LEU CB C 13 41.505 0.088 . 1 . . 61 . . 22 LEU CB . 25684 4 141 . 1 1 18 18 LEU CG C 13 26.543 . . 1 . . 166 . . 22 LEU CG . 25684 4 142 . 1 1 18 18 LEU CD1 C 13 23.714 0.055 . 1 . . 164 . . 22 LEU CD1 . 25684 4 143 . 1 1 18 18 LEU CD2 C 13 24.663 0.012 . 1 . . 165 . . 22 LEU CD2 . 25684 4 144 . 1 1 18 18 LEU N N 15 118.878 0.36 . 1 . . 18 . . 22 LEU N . 25684 4 145 . 1 1 19 19 THR H H 1 7.747 0.026 . 1 . . 1 . . 23 THR H . 25684 4 146 . 1 1 19 19 THR HA H 1 4.057 . . 1 . . 233 . . 23 THR HA . 25684 4 147 . 1 1 19 19 THR HB H 1 4.231 . . 1 . . 314 . . 23 THR HB . 25684 4 148 . 1 1 19 19 THR HG21 H 1 1.254 . . 1 . . 317 . . 23 THR HG21 . 25684 4 149 . 1 1 19 19 THR HG22 H 1 1.254 . . 1 . . 317 . . 23 THR HG22 . 25684 4 150 . 1 1 19 19 THR HG23 H 1 1.254 . . 1 . . 317 . . 23 THR HG23 . 25684 4 151 . 1 1 19 19 THR C C 13 175.755 . . 1 . . 147 . . 23 THR C . 25684 4 152 . 1 1 19 19 THR CA C 13 63.781 0.019 . 1 . . 68 . . 23 THR CA . 25684 4 153 . 1 1 19 19 THR CB C 13 68.894 0.058 . 1 . . 53 . . 23 THR CB . 25684 4 154 . 1 1 19 19 THR N N 15 111.294 0.383 . 1 . . 2 . . 23 THR N . 25684 4 155 . 1 1 20 20 GLY H H 1 8.351 . . 1 . . 313 . . 24 GLY H . 25684 4 156 . 1 1 20 20 GLY HA2 H 1 3.955 . . 2 . . 235 . . 24 GLY HA2 . 25684 4 157 . 1 1 20 20 GLY HA3 H 1 3.818 . . 2 . . 315 . . 24 GLY HA3 . 25684 4 158 . 1 1 20 20 GLY C C 13 174.084 0.003 . 1 . . 148 . . 24 GLY C . 25684 4 159 . 1 1 20 20 GLY CA C 13 45.503 0.001 . 1 . . 109 . . 24 GLY CA . 25684 4 160 . 1 1 20 20 GLY N N 15 109.671 0.034 . 1 . . 107 . . 24 GLY N . 25684 4 161 . 1 1 21 21 TRP H H 1 7.835 0.003 . 1 . . 3 . . 25 TRP H . 25684 4 162 . 1 1 21 21 TRP HA H 1 4.574 . . 1 . . 238 . . 25 TRP HA . 25684 4 163 . 1 1 21 21 TRP HB2 H 1 3.359 . . 2 . . 236 . . 25 TRP HB2 . 25684 4 164 . 1 1 21 21 TRP HB3 H 1 3.228 . . 2 . . 237 . . 25 TRP HB3 . 25684 4 165 . 1 1 21 21 TRP HD1 H 1 7.170 . . 1 . . 405 . . 25 TRP HD1 . 25684 4 166 . 1 1 21 21 TRP HE1 H 1 10.184 . . 1 . . 407 . . 25 TRP HE1 . 25684 4 167 . 1 1 21 21 TRP HZ2 H 1 7.381 . . 1 . . 391 . . 25 TRP HZ2 . 25684 4 168 . 1 1 21 21 TRP C C 13 175.364 0.014 . 1 . . 149 . . 25 TRP C . 25684 4 169 . 1 1 21 21 TRP CA C 13 57.410 0.031 . 1 . . 70 . . 25 TRP CA . 25684 4 170 . 1 1 21 21 TRP CB C 13 30.052 0.032 . 1 . . 54 . . 25 TRP CB . 25684 4 171 . 1 1 21 21 TRP N N 15 119.612 0.033 . 1 . . 4 . . 25 TRP N . 25684 4 172 . 1 1 22 22 LEU H H 1 7.470 0.03 . 1 . . 5 . . 26 LEU H . 25684 4 173 . 1 1 22 22 LEU HA H 1 4.197 . . 1 . . 387 . . 26 LEU HA . 25684 4 174 . 1 1 22 22 LEU HB2 H 1 1.472 . . 2 . . 309 . . 26 LEU HB2 . 25684 4 175 . 1 1 22 22 LEU HB3 H 1 1.515 . . 2 . . 362 . . 26 LEU HB3 . 25684 4 176 . 1 1 22 22 LEU HG H 1 1.262 . . 1 . . 370 . . 26 LEU HG . 25684 4 177 . 1 1 22 22 LEU HD11 H 1 0.765 . . 2 . . 408 . . 26 LEU HD11 . 25684 4 178 . 1 1 22 22 LEU HD12 H 1 0.765 . . 2 . . 408 . . 26 LEU HD12 . 25684 4 179 . 1 1 22 22 LEU HD13 H 1 0.765 . . 2 . . 408 . . 26 LEU HD13 . 25684 4 180 . 1 1 22 22 LEU HD21 H 1 0.699 . . 1 . . 414 . . 26 LEU HD21 . 25684 4 181 . 1 1 22 22 LEU HD22 H 1 0.699 . . 1 . . 414 . . 26 LEU HD22 . 25684 4 182 . 1 1 22 22 LEU HD23 H 1 0.699 . . 1 . . 414 . . 26 LEU HD23 . 25684 4 183 . 1 1 22 22 LEU C C 13 174.672 . . 1 . . 150 . . 26 LEU C . 25684 4 184 . 1 1 22 22 LEU CA C 13 52.103 . . 1 . . 71 . . 26 LEU CA . 25684 4 185 . 1 1 22 22 LEU CB C 13 41.671 . . 1 . . 55 . . 26 LEU CB . 25684 4 186 . 1 1 22 22 LEU N N 15 119.606 0.484 . 1 . . 6 . . 26 LEU N . 25684 4 187 . 1 1 23 23 PRO HA H 1 4.321 . . 1 . . 371 . . 27 PRO HA . 25684 4 188 . 1 1 23 23 PRO HB2 H 1 1.728 . . 1 . . 372 . . 27 PRO HB2 . 25684 4 189 . 1 1 23 23 PRO HB3 H 1 1.728 . . 1 . . 373 . . 27 PRO HB3 . 25684 4 190 . 1 1 23 23 PRO HG2 H 1 1.369 . . 1 . . 331 . . 27 PRO HG2 . 25684 4 191 . 1 1 23 23 PRO HG3 H 1 1.369 . . 1 . . 342 . . 27 PRO HG3 . 25684 4 192 . 1 1 23 23 PRO HD2 H 1 3.588 . . 1 . . 375 . . 27 PRO HD2 . 25684 4 193 . 1 1 23 23 PRO HD3 H 1 3.588 . . 1 . . 388 . . 27 PRO HD3 . 25684 4 194 . 1 1 23 23 PRO C C 13 176.235 . . 1 . . 191 . . 27 PRO C . 25684 4 195 . 1 1 23 23 PRO CA C 13 62.766 0.096 . 1 . . 112 . . 27 PRO CA . 25684 4 196 . 1 1 23 23 PRO CB C 13 31.238 . . 1 . . 113 . . 27 PRO CB . 25684 4 197 . 1 1 24 24 THR H H 1 7.941 0.001 . 1 . . 111 . . 28 THR H . 25684 4 198 . 1 1 24 24 THR HA H 1 4.241 . . 1 . . 240 . . 28 THR HA . 25684 4 199 . 1 1 24 24 THR HB H 1 4.170 . . 1 . . 296 . . 28 THR HB . 25684 4 200 . 1 1 24 24 THR HG21 H 1 1.226 . . 1 . . 239 . . 28 THR HG21 . 25684 4 201 . 1 1 24 24 THR HG22 H 1 1.226 . . 1 . . 239 . . 28 THR HG22 . 25684 4 202 . 1 1 24 24 THR HG23 H 1 1.226 . . 1 . . 239 . . 28 THR HG23 . 25684 4 203 . 1 1 24 24 THR C C 13 174.484 . . 1 . . 190 . . 28 THR C . 25684 4 204 . 1 1 24 24 THR CA C 13 62.015 0.117 . 1 . . 167 . . 28 THR CA . 25684 4 205 . 1 1 24 24 THR CB C 13 69.059 0.052 . 1 . . 116 . . 28 THR CB . 25684 4 206 . 1 1 24 24 THR N N 15 111.325 0.007 . 1 . . 110 . . 28 THR N . 25684 4 207 . 1 1 25 25 TRP H H 1 7.854 0.008 . 1 . . 115 . . 29 TRP H . 25684 4 208 . 1 1 25 25 TRP HA H 1 4.363 . . 1 . . 241 . . 29 TRP HA . 25684 4 209 . 1 1 25 25 TRP HB2 H 1 3.412 . . 2 . . 242 . . 29 TRP HB2 . 25684 4 210 . 1 1 25 25 TRP HB3 H 1 3.316 . . 2 . . 243 . . 29 TRP HB3 . 25684 4 211 . 1 1 25 25 TRP HD1 H 1 7.287 . . 1 . . 390 . . 29 TRP HD1 . 25684 4 212 . 1 1 25 25 TRP HE1 H 1 10.716 . . 1 . . 385 . . 29 TRP HE1 . 25684 4 213 . 1 1 25 25 TRP HZ2 H 1 7.392 . . 1 . . 409 . . 29 TRP HZ2 . 25684 4 214 . 1 1 25 25 TRP C C 13 175.333 0.001 . 1 . . 189 . . 29 TRP C . 25684 4 215 . 1 1 25 25 TRP CA C 13 56.999 0.001 . 1 . . 117 . . 29 TRP CA . 25684 4 216 . 1 1 25 25 TRP CB C 13 29.825 0.008 . 1 . . 347 . . 29 TRP CB . 25684 4 217 . 1 1 25 25 TRP N N 15 121.829 0.005 . 1 . . 114 . . 29 TRP N . 25684 4 218 . 1 1 26 26 CYS H H 1 8.095 0.004 . 1 . . 157 . . 30 CYS H . 25684 4 219 . 1 1 26 26 CYS HA H 1 4.463 . . 1 . . 398 . . 30 CYS HA . 25684 4 220 . 1 1 26 26 CYS HB2 H 1 2.713 . . 2 . . 290 . . 30 CYS HB2 . 25684 4 221 . 1 1 26 26 CYS HB3 H 1 2.275 . . 2 . . 396 . . 30 CYS HB3 . 25684 4 222 . 1 1 26 26 CYS C C 13 172.496 . . 1 . . 188 . . 30 CYS C . 25684 4 223 . 1 1 26 26 CYS N N 15 118.755 0.063 . 1 . . 156 . . 30 CYS N . 25684 4 224 . 1 1 27 27 PRO HA H 1 4.492 . . 1 . . 244 . . 31 PRO HA . 25684 4 225 . 1 1 27 27 PRO HB2 H 1 1.982 0.016 . 2 . . 246 . . 31 PRO HB2 . 25684 4 226 . 1 1 27 27 PRO HB3 H 1 2.307 0.01 . 2 . . 247 . . 31 PRO HB3 . 25684 4 227 . 1 1 27 27 PRO HG2 H 1 2.093 . . 2 . . 394 . . 31 PRO HG2 . 25684 4 228 . 1 1 27 27 PRO HG3 H 1 1.937 . . 2 . . 395 . . 31 PRO HG3 . 25684 4 229 . 1 1 27 27 PRO HD2 H 1 3.696 . . 2 . . 245 . . 31 PRO HD2 . 25684 4 230 . 1 1 27 27 PRO HD3 H 1 3.736 . . 2 . . 357 . . 31 PRO HD3 . 25684 4 231 . 1 1 27 27 PRO C C 13 176.934 . . 1 . . 151 . . 31 PRO C . 25684 4 232 . 1 1 27 27 PRO CA C 13 62.956 0.025 . 1 . . 127 . . 31 PRO CA . 25684 4 233 . 1 1 27 27 PRO CB C 13 31.581 0.0 . 1 . . 294 . . 31 PRO CB . 25684 4 234 . 1 1 27 27 PRO CG C 13 26.963 . . 1 . . 359 . . 31 PRO CG . 25684 4 235 . 1 1 28 28 THR H H 1 8.218 0.004 . 1 . . 124 . . 32 THR H . 25684 4 236 . 1 1 28 28 THR HA H 1 4.298 . . 1 . . 248 . . 32 THR HA . 25684 4 237 . 1 1 28 28 THR HB H 1 4.398 . . 1 . . 249 . . 32 THR HB . 25684 4 238 . 1 1 28 28 THR HG21 H 1 1.258 . . 1 . . 250 . . 32 THR HG21 . 25684 4 239 . 1 1 28 28 THR HG22 H 1 1.258 . . 1 . . 250 . . 32 THR HG22 . 25684 4 240 . 1 1 28 28 THR HG23 H 1 1.258 . . 1 . . 250 . . 32 THR HG23 . 25684 4 241 . 1 1 28 28 THR C C 13 174.777 0.005 . 1 . . 152 . . 32 THR C . 25684 4 242 . 1 1 28 28 THR CA C 13 61.415 . . 1 . . 121 . . 32 THR CA . 25684 4 243 . 1 1 28 28 THR CB C 13 69.568 0.019 . 1 . . 125 . . 32 THR CB . 25684 4 244 . 1 1 28 28 THR CG2 C 13 21.585 . . 1 . . 168 . . 32 THR CG2 . 25684 4 245 . 1 1 28 28 THR N N 15 113.528 0.005 . 1 . . 123 . . 32 THR N . 25684 4 246 . 1 1 29 29 SER H H 1 8.291 0.003 . 1 . . 119 . . 33 SER H . 25684 4 247 . 1 1 29 29 SER HA H 1 4.579 . . 1 . . 251 . . 33 SER HA . 25684 4 248 . 1 1 29 29 SER HB2 H 1 3.966 . . 2 . . 252 . . 33 SER HB2 . 25684 4 249 . 1 1 29 29 SER HB3 H 1 3.908 . . 2 . . 253 . . 33 SER HB3 . 25684 4 250 . 1 1 29 29 SER C C 13 174.829 0.002 . 1 . . 153 . . 33 SER C . 25684 4 251 . 1 1 29 29 SER CA C 13 57.896 0.059 . 1 . . 122 . . 33 SER CA . 25684 4 252 . 1 1 29 29 SER CB C 13 63.639 0.016 . 1 . . 120 . . 33 SER CB . 25684 4 253 . 1 1 29 29 SER N N 15 117.608 0.01 . 1 . . 118 . . 33 SER N . 25684 4 254 . 1 1 30 30 THR H H 1 8.208 0.002 . 1 . . 129 . . 34 THR H . 25684 4 255 . 1 1 30 30 THR HA H 1 4.320 . . 1 . . 255 . . 34 THR HA . 25684 4 256 . 1 1 30 30 THR HB H 1 4.425 . . 1 . . 254 . . 34 THR HB . 25684 4 257 . 1 1 30 30 THR HG21 H 1 1.230 . . 1 . . 256 . . 34 THR HG21 . 25684 4 258 . 1 1 30 30 THR HG22 H 1 1.230 . . 1 . . 256 . . 34 THR HG22 . 25684 4 259 . 1 1 30 30 THR HG23 H 1 1.230 . . 1 . . 256 . . 34 THR HG23 . 25684 4 260 . 1 1 30 30 THR C C 13 174.741 0.004 . 1 . . 154 . . 34 THR C . 25684 4 261 . 1 1 30 30 THR CA C 13 61.508 0.084 . 1 . . 101 . . 34 THR CA . 25684 4 262 . 1 1 30 30 THR CB C 13 69.262 0.109 . 1 . . 130 . . 34 THR CB . 25684 4 263 . 1 1 30 30 THR CG2 C 13 21.292 . . 1 . . 169 . . 34 THR CG2 . 25684 4 264 . 1 1 30 30 THR N N 15 115.134 0.005 . 1 . . 128 . . 34 THR N . 25684 4 265 . 1 1 31 31 SER H H 1 8.223 0.005 . 1 . . 99 . . 35 SER H . 25684 4 266 . 1 1 31 31 SER HA H 1 4.269 . . 1 . . 326 . . 35 SER HA . 25684 4 267 . 1 1 31 31 SER HB2 H 1 3.736 . . 1 . . 291 . . 35 SER HB2 . 25684 4 268 . 1 1 31 31 SER C C 13 174.768 . . 1 . . 187 . . 35 SER C . 25684 4 269 . 1 1 31 31 SER CA C 13 58.407 . . 1 . . 102 . . 35 SER CA . 25684 4 270 . 1 1 31 31 SER CB C 13 63.538 . . 1 . . 100 . . 35 SER CB . 25684 4 271 . 1 1 31 31 SER N N 15 117.691 0.011 . 1 . . 98 . . 35 SER N . 25684 4 272 . 1 1 32 32 HIS H H 1 8.357 . . 1 . . 337 . . 36 HIS H . 25684 4 273 . 1 1 32 32 HIS HA H 1 4.746 . . 1 . . 257 . . 36 HIS HA . 25684 4 274 . 1 1 32 32 HIS HB2 H 1 3.295 . . 2 . . 258 . . 36 HIS HB2 . 25684 4 275 . 1 1 32 32 HIS HB3 H 1 3.173 . . 2 . . 259 . . 36 HIS HB3 . 25684 4 276 . 1 1 32 32 HIS C C 13 174.693 . . 1 . . 172 . . 36 HIS C . 25684 4 277 . 1 1 32 32 HIS CA C 13 55.423 . . 1 . . 83 . . 36 HIS CA . 25684 4 278 . 1 1 32 32 HIS CB C 13 29.382 . . 1 . . 63 . . 36 HIS CB . 25684 4 279 . 1 1 33 33 LEU H H 1 8.111 0.021 . 1 . . 27 . . 37 LEU H . 25684 4 280 . 1 1 33 33 LEU HA H 1 4.355 . . 1 . . 260 . . 37 LEU HA . 25684 4 281 . 1 1 33 33 LEU HB2 H 1 1.662 . . 2 . . 261 . . 37 LEU HB2 . 25684 4 282 . 1 1 33 33 LEU HB3 H 1 1.606 . . 2 . . 262 . . 37 LEU HB3 . 25684 4 283 . 1 1 33 33 LEU HG H 1 1.552 . . 1 . . 263 . . 37 LEU HG . 25684 4 284 . 1 1 33 33 LEU HD11 H 1 0.954 . . 2 . . 264 . . 37 LEU HD11 . 25684 4 285 . 1 1 33 33 LEU HD12 H 1 0.954 . . 2 . . 264 . . 37 LEU HD12 . 25684 4 286 . 1 1 33 33 LEU HD13 H 1 0.954 . . 2 . . 264 . . 37 LEU HD13 . 25684 4 287 . 1 1 33 33 LEU HD21 H 1 0.899 . . 2 . . 265 . . 37 LEU HD21 . 25684 4 288 . 1 1 33 33 LEU HD22 H 1 0.899 . . 2 . . 265 . . 37 LEU HD22 . 25684 4 289 . 1 1 33 33 LEU HD23 H 1 0.899 . . 2 . . 265 . . 37 LEU HD23 . 25684 4 290 . 1 1 33 33 LEU C C 13 177.088 0.005 . 1 . . 171 . . 37 LEU C . 25684 4 291 . 1 1 33 33 LEU CA C 13 54.856 0.02 . 1 . . 82 . . 37 LEU CA . 25684 4 292 . 1 1 33 33 LEU CB C 13 41.981 0.131 . 1 . . 64 . . 37 LEU CB . 25684 4 293 . 1 1 33 33 LEU CG C 13 26.405 . . 1 . . 173 . . 37 LEU CG . 25684 4 294 . 1 1 33 33 LEU CD1 C 13 24.488 . . 2 . . 174 . . 37 LEU CD1 . 25684 4 295 . 1 1 33 33 LEU CD2 C 13 22.988 . . 2 . . 175 . . 37 LEU CD2 . 25684 4 296 . 1 1 33 33 LEU N N 15 123.020 0.0 . 1 . . 28 . . 37 LEU N . 25684 4 297 . 1 1 34 34 LYS H H 1 8.248 0.014 . 1 . . 29 . . 38 LYS H . 25684 4 298 . 1 1 34 34 LYS HA H 1 4.351 0.004 . 1 . . 266 . . 38 LYS HA . 25684 4 299 . 1 1 34 34 LYS HB2 H 1 1.858 0.007 . 2 . . 272 . . 38 LYS HB2 . 25684 4 300 . 1 1 34 34 LYS HB3 H 1 1.802 0.006 . 2 . . 273 . . 38 LYS HB3 . 25684 4 301 . 1 1 34 34 LYS HG2 H 1 1.504 . . 2 . . 268 . . 38 LYS HG2 . 25684 4 302 . 1 1 34 34 LYS HG3 H 1 1.459 0.005 . 2 . . 269 . . 38 LYS HG3 . 25684 4 303 . 1 1 34 34 LYS HD2 H 1 1.720 0.001 . 2 . . 270 . . 38 LYS HD2 . 25684 4 304 . 1 1 34 34 LYS HD3 H 1 1.756 . . 2 . . 271 . . 38 LYS HD3 . 25684 4 305 . 1 1 34 34 LYS HE2 H 1 3.033 0.009 . 1 . . 267 . . 38 LYS HE2 . 25684 4 306 . 1 1 34 34 LYS C C 13 176.563 0.008 . 1 . . 170 . . 38 LYS C . 25684 4 307 . 1 1 34 34 LYS CA C 13 55.971 0.005 . 1 . . 84 . . 38 LYS CA . 25684 4 308 . 1 1 34 34 LYS CB C 13 32.642 0.122 . 1 . . 65 . . 38 LYS CB . 25684 4 309 . 1 1 34 34 LYS CG C 13 24.285 . . 1 . . 178 . . 38 LYS CG . 25684 4 310 . 1 1 34 34 LYS CD C 13 28.565 0.0 . 1 . . 177 . . 38 LYS CD . 25684 4 311 . 1 1 34 34 LYS CE C 13 41.489 . . 1 . . 176 . . 38 LYS CE . 25684 4 312 . 1 1 34 34 LYS N N 15 121.958 0.0 . 1 . . 30 . . 38 LYS N . 25684 4 313 . 1 1 35 35 GLU H H 1 8.449 0.007 . 1 . . 39 . . 39 GLU H . 25684 4 314 . 1 1 35 35 GLU HA H 1 4.267 0.015 . 1 . . 274 . . 39 GLU HA . 25684 4 315 . 1 1 35 35 GLU HB2 H 1 2.109 0.0 . 2 . . 275 . . 39 GLU HB2 . 25684 4 316 . 1 1 35 35 GLU HB3 H 1 1.982 0.002 . 2 . . 276 . . 39 GLU HB3 . 25684 4 317 . 1 1 35 35 GLU HG2 H 1 2.328 0.003 . 2 . . 277 . . 39 GLU HG2 . 25684 4 318 . 1 1 35 35 GLU HG3 H 1 1.998 . . 2 . . 413 . . 39 GLU HG3 . 25684 4 319 . 1 1 35 35 GLU C C 13 176.271 0.0 . 1 . . 180 . . 39 GLU C . 25684 4 320 . 1 1 35 35 GLU CA C 13 56.333 0.004 . 1 . . 89 . . 39 GLU CA . 25684 4 321 . 1 1 35 35 GLU CB C 13 29.979 0.029 . 1 . . 97 . . 39 GLU CB . 25684 4 322 . 1 1 35 35 GLU CG C 13 35.588 . . 1 . . 179 . . 39 GLU CG . 25684 4 323 . 1 1 35 35 GLU N N 15 122.104 0.0 . 1 . . 40 . . 39 GLU N . 25684 4 324 . 1 1 36 36 ALA H H 1 8.239 0.007 . 1 . . 19 . . 40 ALA H . 25684 4 325 . 1 1 36 36 ALA HA H 1 4.349 . . 1 . . 278 . . 40 ALA HA . 25684 4 326 . 1 1 36 36 ALA HB1 H 1 1.451 . . 1 . . 279 . . 40 ALA HB1 . 25684 4 327 . 1 1 36 36 ALA HB2 H 1 1.451 . . 1 . . 279 . . 40 ALA HB2 . 25684 4 328 . 1 1 36 36 ALA HB3 H 1 1.451 . . 1 . . 279 . . 40 ALA HB3 . 25684 4 329 . 1 1 36 36 ALA C C 13 177.535 0.002 . 1 . . 181 . . 40 ALA C . 25684 4 330 . 1 1 36 36 ALA CA C 13 52.133 0.002 . 1 . . 78 . . 40 ALA CA . 25684 4 331 . 1 1 36 36 ALA CB C 13 19.006 0.152 . 1 . . 58 . . 40 ALA CB . 25684 4 332 . 1 1 36 36 ALA N N 15 124.046 . . 1 . . 20 . . 40 ALA N . 25684 4 333 . 1 1 37 37 GLU H H 1 8.248 0.005 . 1 . . 43 . . 41 GLU H . 25684 4 334 . 1 1 37 37 GLU HA H 1 4.325 0.007 . 1 . . 280 . . 41 GLU HA . 25684 4 335 . 1 1 37 37 GLU HB2 H 1 2.104 0.005 . 2 . . 283 . . 41 GLU HB2 . 25684 4 336 . 1 1 37 37 GLU HB3 H 1 1.982 0.005 . 2 . . 284 . . 41 GLU HB3 . 25684 4 337 . 1 1 37 37 GLU HG2 H 1 2.347 0.004 . 2 . . 281 . . 41 GLU HG2 . 25684 4 338 . 1 1 37 37 GLU HG3 H 1 2.281 0.01 . 2 . . 282 . . 41 GLU HG3 . 25684 4 339 . 1 1 37 37 GLU C C 13 176.315 0.001 . 1 . . 184 . . 41 GLU C . 25684 4 340 . 1 1 37 37 GLU CA C 13 56.038 0.016 . 1 . . 91 . . 41 GLU CA . 25684 4 341 . 1 1 37 37 GLU CB C 13 30.289 0.017 . 1 . . 96 . . 41 GLU CB . 25684 4 342 . 1 1 37 37 GLU CG C 13 35.689 . . 1 . . 182 . . 41 GLU CG . 25684 4 343 . 1 1 37 37 GLU N N 15 119.561 0.0 . 1 . . 44 . . 41 GLU N . 25684 4 344 . 1 1 38 38 GLU H H 1 8.313 0.005 . 1 . . 41 . . 42 GLU H . 25684 4 345 . 1 1 38 38 GLU HA H 1 4.366 . . 1 . . 285 . . 42 GLU HA . 25684 4 346 . 1 1 38 38 GLU HB2 H 1 2.107 . . 2 . . 287 . . 42 GLU HB2 . 25684 4 347 . 1 1 38 38 GLU HB3 H 1 1.986 . . 2 . . 288 . . 42 GLU HB3 . 25684 4 348 . 1 1 38 38 GLU HG2 H 1 2.318 0.033 . 1 . . 286 . . 42 GLU HG2 . 25684 4 349 . 1 1 38 38 GLU C C 13 175.311 0.0 . 1 . . 183 . . 42 GLU C . 25684 4 350 . 1 1 38 38 GLU CA C 13 56.110 0.003 . 1 . . 90 . . 42 GLU CA . 25684 4 351 . 1 1 38 38 GLU CB C 13 30.088 0.008 . 1 . . 95 . . 42 GLU CB . 25684 4 352 . 1 1 38 38 GLU CG C 13 35.531 . . 1 . . 186 . . 42 GLU CG . 25684 4 353 . 1 1 38 38 GLU N N 15 122.451 0.0 . 1 . . 42 . . 42 GLU N . 25684 4 354 . 1 1 39 39 LYS H H 1 7.917 0.007 . 1 . . 31 . . 43 LYS H . 25684 4 355 . 1 1 39 39 LYS HA H 1 4.198 0.002 . 1 . . 299 . . 43 LYS HA . 25684 4 356 . 1 1 39 39 LYS HB2 H 1 1.860 0.001 . 2 . . 300 . . 43 LYS HB2 . 25684 4 357 . 1 1 39 39 LYS HB3 H 1 1.725 0.019 . 2 . . 303 . . 43 LYS HB3 . 25684 4 358 . 1 1 39 39 LYS HG2 H 1 1.414 0.001 . 2 . . 302 . . 43 LYS HG2 . 25684 4 359 . 1 1 39 39 LYS HG3 H 1 1.463 0.0 . 2 . . 305 . . 43 LYS HG3 . 25684 4 360 . 1 1 39 39 LYS HD2 H 1 1.574 0.002 . 1 . . 301 . . 43 LYS HD2 . 25684 4 361 . 1 1 39 39 LYS HE2 H 1 3.015 . . 1 . . 340 . . 43 LYS HE2 . 25684 4 362 . 1 1 39 39 LYS C C 13 181.185 . . 1 . . 185 . . 43 LYS C . 25684 4 363 . 1 1 39 39 LYS CA C 13 56.963 0.057 . 1 . . 85 . . 43 LYS CA . 25684 4 364 . 1 1 39 39 LYS CB C 13 33.307 0.093 . 1 . . 66 . . 43 LYS CB . 25684 4 365 . 1 1 39 39 LYS CG C 13 24.133 . . 1 . . 304 . . 43 LYS CG . 25684 4 366 . 1 1 39 39 LYS N N 15 127.711 . . 1 . . 32 . . 43 LYS N . 25684 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $wr10_43_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $1 _Spectral_peak_list.Experiment_ID 4 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 5580.35693359 Hz . . . . . . 25684 1 2 . . H 1 1H . . 8396.57910156 Hz . . . . . . 25684 1 3 . . N 15 15N . . 1772.50000000 Hz . . . . . . 25684 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25684 1 2 1.0 . . 25684 1 3 1.0 . . 25684 1 4 1.0 . . 25684 1 5 1.0 . . 25684 1 6 1.0 . . 25684 1 7 1.0 . . 25684 1 8 1.0 . . 25684 1 9 1.0 . . 25684 1 10 1.0 . . 25684 1 11 1.0 . . 25684 1 12 1.0 . . 25684 1 13 1.0 . . 25684 1 14 1.0 . . 25684 1 15 1.0 . . 25684 1 16 1.0 . . 25684 1 17 1.0 . . 25684 1 18 1.0 . . 25684 1 19 1.0 . . 25684 1 20 1.0 . . 25684 1 21 1.0 . . 25684 1 22 1.0 . . 25684 1 23 1.0 . . 25684 1 24 1.0 . . 25684 1 25 1.0 . . 25684 1 26 1.0 . . 25684 1 27 1.0 . . 25684 1 28 1.0 . . 25684 1 29 1.0 . . 25684 1 30 1.0 . . 25684 1 31 1.0 . . 25684 1 32 1.0 . . 25684 1 33 1.0 . . 25684 1 34 1.0 . . 25684 1 35 1.0 . . 25684 1 36 1.0 . . 25684 1 37 1.0 . . 25684 1 38 1.0 . . 25684 1 39 1.0 . . 25684 1 40 1.0 . . 25684 1 41 1.0 . . 25684 1 42 1.0 . . 25684 1 43 1.0 . . 25684 1 44 1.0 . . 25684 1 45 1.0 . . 25684 1 46 1.0 . . 25684 1 47 1.0 . . 25684 1 48 1.0 . . 25684 1 49 1.0 . . 25684 1 50 1.0 . . 25684 1 51 1.0 . . 25684 1 52 1.0 . . 25684 1 53 1.0 . . 25684 1 54 1.0 . . 25684 1 55 1.0 . . 25684 1 56 1.0 . . 25684 1 57 1.0 . . 25684 1 58 1.0 . . 25684 1 59 1.0 . . 25684 1 60 1.0 . . 25684 1 61 1.0 . . 25684 1 62 1.0 . . 25684 1 63 1.0 . . 25684 1 64 1.0 . . 25684 1 65 1.0 . . 25684 1 66 1.0 . . 25684 1 67 1.0 . . 25684 1 68 1.0 . . 25684 1 69 1.0 . . 25684 1 70 1.0 . . 25684 1 71 1.0 . . 25684 1 72 1.0 . . 25684 1 73 1.0 . . 25684 1 74 1.0 . . 25684 1 75 1.0 . . 25684 1 76 1.0 . . 25684 1 77 1.0 . . 25684 1 78 1.0 . . 25684 1 79 1.0 . . 25684 1 80 1.0 . . 25684 1 81 1.0 . . 25684 1 82 1.0 . . 25684 1 83 1.0 . . 25684 1 84 1.0 . . 25684 1 85 1.0 . . 25684 1 86 1.0 . . 25684 1 87 1.0 . . 25684 1 88 1.0 . . 25684 1 89 1.0 . . 25684 1 90 1.0 . . 25684 1 91 1.0 . . 25684 1 92 1.0 . . 25684 1 93 1.0 . . 25684 1 94 1.0 . . 25684 1 95 1.0 . . 25684 1 96 1.0 . . 25684 1 97 1.0 . . 25684 1 98 1.0 . . 25684 1 99 1.0 . . 25684 1 100 1.0 . . 25684 1 101 1.0 . . 25684 1 102 1.0 . . 25684 1 103 1.0 . . 25684 1 104 1.0 . . 25684 1 105 1.0 . . 25684 1 106 1.0 . . 25684 1 107 1.0 . . 25684 1 108 1.0 . . 25684 1 109 1.0 . . 25684 1 110 1.0 . . 25684 1 111 1.0 . . 25684 1 112 1.0 . . 25684 1 113 1.0 . . 25684 1 114 1.0 . . 25684 1 115 1.0 . . 25684 1 116 1.0 . . 25684 1 117 1.0 . . 25684 1 118 1.0 . . 25684 1 119 1.0 . . 25684 1 120 1.0 . . 25684 1 121 1.0 . . 25684 1 122 1.0 . . 25684 1 123 1.0 . . 25684 1 124 1.0 . . 25684 1 125 1.0 . . 25684 1 126 1.0 . . 25684 1 127 1.0 . . 25684 1 128 1.0 . . 25684 1 129 1.0 . . 25684 1 130 1.0 . . 25684 1 131 1.0 . . 25684 1 132 1.0 . . 25684 1 133 1.0 . . 25684 1 134 1.0 . . 25684 1 135 1.0 . . 25684 1 136 1.0 . . 25684 1 137 1.0 . . 25684 1 138 1.0 . . 25684 1 139 1.0 . . 25684 1 140 1.0 . . 25684 1 141 1.0 . . 25684 1 142 1.0 . . 25684 1 143 1.0 . . 25684 1 144 1.0 . . 25684 1 145 1.0 . . 25684 1 146 1.0 . . 25684 1 147 1.0 . . 25684 1 148 1.0 . . 25684 1 149 1.0 . . 25684 1 150 1.0 . . 25684 1 151 1.0 . . 25684 1 152 1.0 . . 25684 1 153 1.0 . . 25684 1 154 1.0 . . 25684 1 155 1.0 . . 25684 1 156 1.0 . . 25684 1 157 1.0 . . 25684 1 158 1.0 . . 25684 1 159 1.0 . . 25684 1 160 1.0 . . 25684 1 161 1.0 . . 25684 1 162 1.0 . . 25684 1 163 1.0 . . 25684 1 164 1.0 . . 25684 1 165 1.0 . . 25684 1 166 1.0 . . 25684 1 167 1.0 . . 25684 1 168 1.0 . . 25684 1 169 1.0 . . 25684 1 170 1.0 . . 25684 1 171 1.0 . . 25684 1 172 1.0 . . 25684 1 173 1.0 . . 25684 1 174 1.0 . . 25684 1 175 1.0 . . 25684 1 176 1.0 . . 25684 1 177 1.0 . . 25684 1 178 1.0 . . 25684 1 179 1.0 . . 25684 1 180 1.0 . . 25684 1 181 1.0 . . 25684 1 182 1.0 . . 25684 1 183 1.0 . . 25684 1 184 1.0 . . 25684 1 185 1.0 . . 25684 1 186 1.0 . . 25684 1 187 1.0 . . 25684 1 188 1.0 . . 25684 1 189 1.0 . . 25684 1 190 1.0 . . 25684 1 191 1.0 . . 25684 1 192 1.0 . . 25684 1 193 1.0 . . 25684 1 194 1.0 . . 25684 1 195 1.0 . . 25684 1 196 1.0 . . 25684 1 197 1.0 . . 25684 1 198 1.0 . . 25684 1 199 1.0 . . 25684 1 200 1.0 . . 25684 1 201 1.0 . . 25684 1 202 1.0 . . 25684 1 203 1.0 . . 25684 1 204 1.0 . . 25684 1 205 1.0 . . 25684 1 206 1.0 . . 25684 1 207 1.0 . . 25684 1 208 1.0 . . 25684 1 209 1.0 . . 25684 1 210 1.0 . . 25684 1 211 1.0 . . 25684 1 212 1.0 . . 25684 1 213 1.0 . . 25684 1 214 1.0 . . 25684 1 215 1.0 . . 25684 1 216 1.0 . . 25684 1 217 1.0 . . 25684 1 218 1.0 . . 25684 1 219 1.0 . . 25684 1 220 1.0 . . 25684 1 221 1.0 . . 25684 1 222 1.0 . . 25684 1 223 1.0 . . 25684 1 224 1.0 . . 25684 1 225 1.0 . . 25684 1 226 1.0 . . 25684 1 227 1.0 . . 25684 1 228 1.0 . . 25684 1 229 1.0 . . 25684 1 230 1.0 . . 25684 1 231 1.0 . . 25684 1 232 1.0 . . 25684 1 233 1.0 . . 25684 1 234 1.0 . . 25684 1 235 1.0 . . 25684 1 236 1.0 . . 25684 1 237 1.0 . . 25684 1 238 1.0 . . 25684 1 239 1.0 . . 25684 1 240 1.0 . . 25684 1 241 1.0 . . 25684 1 242 1.0 . . 25684 1 243 1.0 . . 25684 1 244 1.0 . . 25684 1 245 1.0 . . 25684 1 246 1.0 . . 25684 1 247 1.0 . . 25684 1 248 1.0 . . 25684 1 249 1.0 . . 25684 1 250 1.0 . . 25684 1 251 1.0 . . 25684 1 252 1.0 . . 25684 1 253 1.0 . . 25684 1 254 1.0 . . 25684 1 255 1.0 . . 25684 1 256 1.0 . . 25684 1 257 1.0 . . 25684 1 258 1.0 . . 25684 1 259 1.0 . . 25684 1 260 1.0 . . 25684 1 261 1.0 . . 25684 1 262 1.0 . . 25684 1 263 1.0 . . 25684 1 264 1.0 . . 25684 1 265 1.0 . . 25684 1 266 1.0 . . 25684 1 267 1.0 . . 25684 1 268 1.0 . . 25684 1 269 1.0 . . 25684 1 270 1.0 . . 25684 1 271 1.0 . . 25684 1 272 1.0 . . 25684 1 273 1.0 . . 25684 1 274 1.0 . . 25684 1 275 1.0 . . 25684 1 276 1.0 . . 25684 1 277 1.0 . . 25684 1 278 1.0 . . 25684 1 279 1.0 . . 25684 1 280 1.0 . . 25684 1 281 1.0 . . 25684 1 282 1.0 . . 25684 1 283 1.0 . . 25684 1 284 1.0 . . 25684 1 285 1.0 . . 25684 1 286 1.0 . . 25684 1 287 1.0 . . 25684 1 288 1.0 . . 25684 1 289 1.0 . . 25684 1 290 1.0 . . 25684 1 291 1.0 . . 25684 1 292 1.0 . . 25684 1 293 1.0 . . 25684 1 294 1.0 . . 25684 1 295 1.0 . . 25684 1 296 1.0 . . 25684 1 297 1.0 . . 25684 1 298 1.0 . . 25684 1 299 1.0 . . 25684 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 36210.26562500 . height 25684 1 1 666443.85058600 . volume 25684 1 2 359584.62500000 . height 25684 1 2 4349338.61328000 . volume 25684 1 3 343309.65625000 . height 25684 1 3 4339926.32422000 . volume 25684 1 4 55739.60937500 . height 25684 1 4 797302.52246100 . volume 25684 1 5 43344.40625000 . height 25684 1 5 710623.03710900 . volume 25684 1 6 71423.64843750 . height 25684 1 6 941444.14941400 . volume 25684 1 7 209752.00000000 . height 25684 1 7 2939179.57812000 . volume 25684 1 8 100584.89062500 . height 25684 1 8 1303308.89062000 . volume 25684 1 9 17487194.00000000 . height 25684 1 9 216950614.75000000 . volume 25684 1 10 168817.04687500 . height 25684 1 10 2386220.99609000 . volume 25684 1 11 616313.00000000 . height 25684 1 11 8388936.45312000 . volume 25684 1 12 584472.31250000 . height 25684 1 12 8974946.17188000 . volume 25684 1 13 69788.17187500 . height 25684 1 13 982132.50976600 . volume 25684 1 14 44775.07421880 . height 25684 1 14 690850.73144500 . volume 25684 1 15 81650.29687500 . height 25684 1 15 1167180.16211000 . volume 25684 1 16 26342.24218750 . height 25684 1 16 245209.86035200 . volume 25684 1 17 148599.60937500 . height 25684 1 17 2015205.35742000 . volume 25684 1 18 19084542.00000000 . height 25684 1 18 219805001.75000000 . volume 25684 1 19 178089.90625000 . height 25684 1 19 2124226.55811000 . volume 25684 1 20 1781812.00000000 . height 25684 1 20 28333674.21880000 . volume 25684 1 21 662403.25000000 . height 25684 1 21 9831028.34375000 . volume 25684 1 22 441308.56250000 . height 25684 1 22 6520069.22656000 . volume 25684 1 23 32922.85937500 . height 25684 1 23 515449.91894500 . volume 25684 1 24 815492.25000000 . height 25684 1 24 12270136.16410000 . volume 25684 1 25 585823.50000000 . height 25684 1 25 9122242.53906000 . volume 25684 1 26 410787.50000000 . height 25684 1 26 6546467.29688000 . volume 25684 1 27 612393.37500000 . height 25684 1 27 9715599.85547000 . volume 25684 1 28 503888.28125000 . height 25684 1 28 9084325.10938000 . volume 25684 1 29 35837272.00000000 . height 25684 1 29 538386557.50000000 . volume 25684 1 30 25189.16796880 . height 25684 1 30 425783.36132800 . volume 25684 1 31 21351.17968750 . height 25684 1 31 347397.43139600 . volume 25684 1 32 434500.37500000 . height 25684 1 32 6268031.52734000 . volume 25684 1 33 121513.29687500 . height 25684 1 33 1623061.99609000 . volume 25684 1 34 305055.53125000 . height 25684 1 34 4489112.49805000 . volume 25684 1 35 858136.43750000 . height 25684 1 35 12118757.71090000 . volume 25684 1 36 666504.43750000 . height 25684 1 36 9098062.73438000 . volume 25684 1 37 243919.10937500 . height 25684 1 37 3322675.09766000 . volume 25684 1 38 254255.96875000 . height 25684 1 38 3326909.97656000 . volume 25684 1 39 2203563.25000000 . height 25684 1 39 30933691.46880000 . volume 25684 1 40 409506.56250000 . height 25684 1 40 5738075.81836000 . volume 25684 1 41 650020.87500000 . height 25684 1 41 10671837.13280000 . volume 25684 1 42 678408.12500000 . height 25684 1 42 11898121.09380000 . volume 25684 1 43 48536572.00000000 . height 25684 1 43 646865397.50000000 . volume 25684 1 44 42969760.00000000 . height 25684 1 44 532482317.00000000 . volume 25684 1 45 1967671.62500000 . height 25684 1 45 23908116.31250000 . volume 25684 1 46 506576.21875000 . height 25684 1 46 7269425.56250000 . volume 25684 1 47 111281.75781200 . height 25684 1 47 1330788.98828000 . volume 25684 1 48 570987.12500000 . height 25684 1 48 9144851.64844000 . volume 25684 1 49 125763.40625000 . height 25684 1 49 1464248.24268000 . volume 25684 1 50 2159923.25000000 . height 25684 1 50 26996081.12500000 . volume 25684 1 51 99125.87500000 . height 25684 1 51 1363171.32031000 . volume 25684 1 52 120398.87500000 . height 25684 1 52 1640559.74219000 . volume 25684 1 53 192628.04687500 . height 25684 1 53 2807038.20312000 . volume 25684 1 54 280150.62500000 . height 25684 1 54 3963742.75781000 . volume 25684 1 55 943613.87500000 . height 25684 1 55 11515026.25780000 . volume 25684 1 56 1947412.00000000 . height 25684 1 56 24467809.18750000 . volume 25684 1 57 1296627.50000000 . height 25684 1 57 17392278.40620000 . volume 25684 1 58 47190512.00000000 . height 25684 1 58 572905272.75000000 . volume 25684 1 59 693591.37500000 . height 25684 1 59 11496479.64060000 . volume 25684 1 60 57761912.00000000 . height 25684 1 60 758600692.50000000 . volume 25684 1 61 759706.43750000 . height 25684 1 61 12461002.82030000 . volume 25684 1 62 1432430.00000000 . height 25684 1 62 21936555.75780000 . volume 25684 1 63 717386.68750000 . height 25684 1 63 11321030.11330000 . volume 25684 1 64 944680.87500000 . height 25684 1 64 15130120.85160000 . volume 25684 1 65 637005.56250000 . height 25684 1 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24.3538385630 . . . . . . . . . . 2 25684 1 24 1 8.218 . 19.1030883650 . . . . . . . . . . 2 25684 1 24 2 0.944 . 43.3511544333 . . . . . . . . . . 2 25684 1 24 3 120.988 . 23.3703850706 . . . . . . . . . . 2 25684 1 25 1 8.218 . 19.7294027730 . . . . . . . . . . 2 25684 1 25 2 2.120 . 47.3914900341 . . . . . . . . . . 2 25684 1 25 3 120.988 . 22.9042606552 . . . . . . . . . . 2 25684 1 26 1 8.218 . 20.3354276542 . . . . . . . . . . 2 25684 1 26 2 3.880 . 49.3063078229 . . . . . . . . . . 2 25684 1 26 3 120.988 . 23.9268747966 . . . . . . . . . . 2 25684 1 27 1 8.218 . 20.5167029342 . . . . . . . . . . 2 25684 1 27 2 4.178 . 43.5883796377 . . . . . . . . . . 2 25684 1 27 3 120.988 . 24.3527820706 . . . . . . . . . . 2 25684 1 28 1 8.218 . 18.9963188882 . . . . . . . . . . 2 25684 1 28 2 8.375 . 65.3631760458 . . . . . . . . . . 2 25684 1 28 3 120.988 . 22.9516619444 . . . . . . . . . . 2 25684 1 29 1 8.218 . 19.1183886639 . . . . . . . . . . 2 25684 1 29 2 8.218 . 40.5077050693 . . . . . . . . . . 2 25684 1 29 3 120.988 . 23.5555529594 . . . . . . . . . . 2 25684 1 30 1 8.218 . 22.0969577149 . . . . . . . . . . 2 25684 1 30 2 2.726 . 44.8380659990 . . . . . . . . . . 2 25684 1 30 3 120.988 . 29.8342868686 . . . . . . . . . . 2 25684 1 31 1 8.218 . 20.5572819877 . . . . . . . . . . 2 25684 1 31 2 2.619 . 40.9758995391 . . . . . . . . . . 2 25684 1 31 3 120.988 . 29.2148301999 . . . . . . . . . . 2 25684 1 32 1 8.377 . 16.8566053532 . . . . . . . . . . 2 25684 1 32 2 0.944 . 47.9630326151 . . . . . . . . . . 2 25684 1 32 3 123.609 . 22.7218396465 . . . . . . . . . . 2 25684 1 33 1 8.190 . 16.4158902228 . . . . . . . . . . 2 25684 1 33 2 0.944 . 49.9499188203 . . . . . . . . . . 2 25684 1 33 3 116.317 . 20.8917132020 . . . . . . . . . . 2 25684 1 34 1 8.375 . 16.7724537094 . . . . . . . . . . 2 25684 1 34 2 2.124 . 49.0465612384 . . . . . . . . . . 2 25684 1 34 3 123.609 . 22.9151425262 . . . . . . . . . . 2 25684 1 35 1 8.376 . 16.9826665113 . . . . . . . . . . 2 25684 1 35 2 2.619 . 45.4606570417 . . . . . . . . . . 2 25684 1 35 3 123.609 . 22.7147963643 . . . . . . . . . . 2 25684 1 36 1 8.376 . 16.9377634602 . . . . . . . . . . 2 25684 1 36 2 2.726 . 44.5047495727 . . . . . . . . . . 2 25684 1 36 3 123.609 . 22.3339308798 . . . . . . . . . . 2 25684 1 37 1 8.189 . 17.0358849421 . . . . . . . . . . 2 25684 1 37 2 2.619 . 48.5335742458 . . . . . . . . . . 2 25684 1 37 3 116.317 . 21.4100987713 . . . . . . . . . . 2 25684 1 38 1 8.189 . 17.1077298237 . . . . . . . . . . 2 25684 1 38 2 2.721 . 45.8510276311 . . . . . . . . . . 2 25684 1 38 3 116.317 . 20.9634138147 . . . . . . . . . . 2 25684 1 39 1 8.376 . 16.9377634602 . . . . . . . . . . 2 25684 1 39 2 4.177 . 44.7039386683 . . . . . . . . . . 2 25684 1 39 3 123.609 . 22.5820657114 . . . . . . . . . . 2 25684 1 40 1 8.375 . 15.0046039600 . . . . . . . . . . 2 25684 1 40 2 4.639 . 116.0176387090 . . . . . . . . . . 2 25684 1 40 3 123.609 . 22.2467702627 . . . . . . . . . . 2 25684 1 41 1 8.376 . 16.9361003843 . . . . . . . . . . 2 25684 1 41 2 8.193 . 71.0114130713 . . . . . . . . . . 2 25684 1 41 3 123.609 . 23.8298183680 . . . . . . . . . . 2 25684 1 42 1 8.376 . 17.0102735723 . . . . . . . . . . 2 25684 1 42 2 8.218 . 69.6016997920 . . . . . . . . . . 2 25684 1 42 3 123.609 . 23.3559463422 . . . . . . . . . . 2 25684 1 43 1 8.376 . 16.9064976321 . . . . . . . . . . 2 25684 1 43 2 8.376 . 38.8683988312 . . . . . . . . . . 2 25684 1 43 3 123.609 . 22.6301008960 . . . . . . . . . . 2 25684 1 44 1 8.191 . 18.2323017904 . . . . . . . . . . 2 25684 1 44 2 8.191 . 38.0317295582 . . . . . . . . . . 2 25684 1 44 3 116.317 . 20.5703986684 . . . . . . . . . . 2 25684 1 45 1 8.191 . 17.8361570959 . . . . . . . . . . 2 25684 1 45 2 4.641 . 37.2723836905 . . . . . . . . . . 2 25684 1 45 3 116.317 . 20.7317602634 . . . . . . . . . . 2 25684 1 46 1 8.191 . 16.2129949552 . . . . . . . . . . 2 25684 1 46 2 4.420 . 48.0476129095 . . . . . . . . . . 2 25684 1 46 3 116.317 . 22.6890179515 . . . . . . . . . . 2 25684 1 47 1 8.191 . 16.7934084666 . . . . . . . . . . 2 25684 1 47 2 4.164 . 33.7855735665 . . . . . . . . . . 2 25684 1 47 3 116.317 . 22.8694668412 . . . . . . . . . . 2 25684 1 48 1 8.190 . 17.1885553156 . . . . . . . . . . 2 25684 1 48 2 3.852 . 87.1347193657 . . . . . . . . . . 2 25684 1 48 3 116.317 . 21.9324285785 . . . . . . . . . . 2 25684 1 49 1 8.191 . 15.9139738970 . . . . . . . . . . 2 25684 1 49 2 1.401 . 31.0299575851 . . . . . . . . . . 2 25684 1 49 3 116.317 . 21.8069877227 . . . . . . . . . . 2 25684 1 50 1 8.379 . 15.9721815557 . . . . . . . . . . 2 25684 1 50 2 1.401 . 41.2231342457 . . . . . . . . . . 2 25684 1 50 3 125.737 . 20.1868919532 . . . . . . . . . . 2 25684 1 51 1 8.379 . 14.6021395768 . . . . . . . . . . 2 25684 1 51 2 2.627 . 51.2151199103 . . . . . . . . . . 2 25684 1 51 3 125.737 . 26.2268585960 . . . . . . . . . . 2 25684 1 52 1 8.379 . 15.7845865870 . . . . . . . . . . 2 25684 1 52 2 2.722 . 46.6337707105 . . . . . . . . . . 2 25684 1 52 3 125.749 . 24.3729962905 . . . . . . . . . . 2 25684 1 53 1 8.379 . 15.9572138720 . . . . . . . . . . 2 25684 1 53 2 3.852 . 100.2046269860 . . . . . . . . . . 2 25684 1 53 3 125.737 . 20.7624337574 . . . . . . . . . . 2 25684 1 54 1 8.379 . 16.2875007584 . . . . . . . . . . 2 25684 1 54 2 3.917 . 86.8114124417 . . . . . . . . . . 2 25684 1 54 3 125.737 . 20.1959777872 . . . . . . . . . . 2 25684 1 55 1 8.379 . 16.1694223650 . . . . . . . . . . 2 25684 1 55 2 4.309 . 43.7710530545 . . . . . . . . . . 2 25684 1 55 3 125.737 . 21.4415118098 . . . . . . . . . . 2 25684 1 56 1 8.379 . 15.9538877201 . . . . . . . . . . 2 25684 1 56 2 4.407 . 47.1252372731 . . . . . . . . . . 2 25684 1 56 3 125.737 . 20.3873437643 . . . . . . . . . . 2 25684 1 57 1 8.379 . 15.7972259643 . . . . . . . . . . 2 25684 1 57 2 8.155 . 55.5363471692 . . . . . . . . . . 2 25684 1 57 3 125.737 . 20.6057911615 . . . . . . . . . . 2 25684 1 58 1 8.379 . 16.0589941210 . . . . . . . . . . 2 25684 1 58 2 8.379 . 39.7240861585 . . . . . . . . . . 2 25684 1 58 3 125.737 . 20.6074463328 . . . . . . . . . . 2 25684 1 59 1 8.155 . 17.1014101351 . . . . . . . . . . 2 25684 1 59 2 8.379 . 50.5348491106 . . . . . . . . . . 2 25684 1 59 3 118.889 . 24.3574306369 . . . . . . . . . . 2 25684 1 60 1 8.155 . 17.7360399228 . . . . . . . . . . 2 25684 1 60 2 8.155 . 35.2056717044 . . . . . . . . . . 2 25684 1 60 3 118.889 . 23.7627663215 . . . . . . . . . . 2 25684 1 61 1 8.155 . 17.2138340702 . . . . . . . . . . 2 25684 1 61 2 4.581 . 48.5205618928 . . . . . . . . . . 2 25684 1 61 3 118.889 . 24.1223963102 . . . . . . . . . . 2 25684 1 62 1 8.155 . 17.1310128872 . . . . . . . . . . 2 25684 1 62 2 4.309 . 44.8410688497 . . . . . . . . . . 2 25684 1 62 3 118.889 . 24.1127470136 . . . . . . . . . . 2 25684 1 63 1 8.155 . 16.7352008079 . . . . . . . . . . 2 25684 1 63 2 2.712 . 109.5249750460 . . . . . . . . . . 2 25684 1 63 3 118.889 . 24.1919839382 . . . . . . . . . . 2 25684 1 64 1 8.155 . 16.8732361128 . . . . . . . . . . 2 25684 1 64 2 2.630 . 100.5624666930 . . . . . . . . . . 2 25684 1 64 3 118.889 . 24.3663051724 . . . . . . . . . . 2 25684 1 65 1 8.155 . 16.8442985911 . . . . . . . . . . 2 25684 1 65 2 1.401 . 44.2249839836 . . . . . . . . . . 2 25684 1 65 3 118.889 . 24.2664314310 . . . . . . . . . . 2 25684 1 66 1 8.194 . 16.9933101974 . . . . . . . . . . 2 25684 1 66 2 8.398 . 48.4950376620 . . . . . . . . . . 2 25684 1 66 3 124.672 . 18.6317352454 . . . . . . . . . . 2 25684 1 67 1 8.194 . 17.5833695494 . . . . . . . . . . 2 25684 1 67 2 8.194 . 42.4157664440 . . . . . . . . . . 2 25684 1 67 3 124.672 . 20.8944952985 . . . . . . . . . . 2 25684 1 68 1 8.194 . 16.3234231992 . . . . . . . . . . 2 25684 1 68 2 4.578 . 43.8256048420 . . . . . . . . . . 2 25684 1 68 3 124.672 . 21.3898845514 . . . . . . . . . . 2 25684 1 69 1 8.194 . 16.2964813686 . . . . . . . . . . 2 25684 1 69 2 4.309 . 47.9410117100 . . . . . . . . . . 2 25684 1 69 3 124.672 . 20.6973186135 . . . . . . . . . . 2 25684 1 70 1 8.194 . 16.7937410818 . . . . . . . . . . 2 25684 1 70 2 3.982 . 48.2703243355 . . . . . . . . . . 2 25684 1 70 3 124.672 . 20.9715135892 . . . . . . . . . . 2 25684 1 71 1 8.194 . 15.9229545072 . . . . . . . . . . 2 25684 1 71 2 2.712 . 112.4392416390 . . . . . . . . . . 2 25684 1 71 3 124.672 . 21.6376672188 . . . . . . . . . . 2 25684 1 72 1 8.194 . 16.1145408582 . . . . . . . . . . 2 25684 1 72 2 2.628 . 103.0263056820 . . . . . . . . . . 2 25684 1 72 3 124.672 . 21.6863010824 . . . . . . . . . . 2 25684 1 73 1 8.194 . 15.6408968237 . . . . . . . . . . 2 25684 1 73 2 1.420 . 37.2033181246 . . . . . . . . . . 2 25684 1 73 3 124.672 . 20.7805702090 . . . . . . . . . . 2 25684 1 74 1 8.398 . 18.1787507444 . . . . . . . . . . 2 25684 1 74 2 8.194 . 69.0270292416 . . . . . . . . . . 2 25684 1 74 3 107.544 . 23.2102912664 . . . . . . . . . . 2 25684 1 75 1 8.398 . 18.3390712673 . . . . . . . . . . 2 25684 1 75 2 8.398 . 37.0947150248 . . . . . . . . . . 2 25684 1 75 3 107.544 . 22.8982738654 . . . . . . . . . . 2 25684 1 76 1 8.398 . 17.9738597856 . . . . . . . . . . 2 25684 1 76 2 4.309 . 46.4641096466 . . . . . . . . . . 2 25684 1 76 3 107.544 . 22.9543383916 . . . . . . . . . . 2 25684 1 77 1 8.398 . 18.2605740818 . . . . . . . . . . 2 25684 1 77 2 3.973 . 40.1486141745 . . . . . . . . . . 2 25684 1 77 3 107.544 . 22.6824676991 . . . . . . . . . . 2 25684 1 78 1 8.398 . 17.7237331607 . . . . . . . . . . 2 25684 1 78 2 2.712 . 104.1698913190 . . . . . . . . . . 2 25684 1 78 3 107.544 . 24.6982550621 . . . . . . . . . . 2 25684 1 79 1 8.398 . 15.2128210707 . . . . . . . . . . 2 25684 1 79 2 2.624 . 112.2986081320 . . . . . . . . . . 2 25684 1 79 3 107.544 . 23.2800197601 . . . . . . . . . . 2 25684 1 80 1 8.398 . 18.8456442058 . . . . . . . . . . 2 25684 1 80 2 1.413 . 42.5483923494 . . . . . . . . . . 2 25684 1 80 3 107.544 . 23.2008532683 . . . . . . . . . . 2 25684 1 81 1 8.239 . 19.3113054757 . . . . . . . . . . 2 25684 1 81 2 1.424 . 47.6652499218 . . . . . . . . . . 2 25684 1 81 3 108.422 . 22.6879614592 . . . . . . . . . . 2 25684 1 82 1 8.239 . 17.2311300602 . . . . . . . . . . 2 25684 1 82 2 2.632 . 118.4969924270 . . . . . . . . . . 2 25684 1 82 3 108.422 . 22.1949317058 . . . . . . . . . . 2 25684 1 83 1 8.239 . 18.9886687387 . . . . . . . . . . 2 25684 1 83 2 2.712 . 105.3550163910 . . . . . . . . . . 2 25684 1 83 3 108.422 . 24.2181849480 . . . . . . . . . . 2 25684 1 84 1 8.239 . 18.7408704201 . . . . . . . . . . 2 25684 1 84 2 3.984 . 40.5119591078 . . . . . . . . . . 2 25684 1 84 3 108.422 . 20.0003858407 . . . . . . . . . . 2 25684 1 85 1 8.239 . 18.9683792120 . . . . . . . . . . 2 25684 1 85 2 8.239 . 41.8071887046 . . . . . . . . . . 2 25684 1 85 3 108.422 . 20.4903165499 . . . . . . . . . . 2 25684 1 86 1 8.239 . 18.2309713296 . . . . . . . . . . 2 25684 1 86 2 8.394 . 189.8713750750 . . . . . . . . . . 2 25684 1 86 3 108.422 . 21.7726165056 . . . . . . . . . . 2 25684 1 87 1 8.372 . 20.9038670186 . . . . . . . . . . 2 25684 1 87 2 4.004 . 71.2015936149 . . . . . . . . . . 2 25684 1 87 3 108.775 . 22.1901422739 . . . . . . . . . . 2 25684 1 88 1 8.371 . 19.3309297721 . . . . . . . . . . 2 25684 1 88 2 8.372 . 37.7050444271 . . . . . . . . . . 2 25684 1 88 3 108.755 . 22.3342478275 . . . . . . . . . . 2 25684 1 89 1 8.293 . 20.5196964709 . . . . . . . . . . 2 25684 1 89 2 8.477 . 54.2118397782 . . . . . . . . . . 2 25684 1 89 3 115.064 . 20.7842327158 . . . . . . . . . . 2 25684 1 90 1 8.293 . 20.6490837809 . . . . . . . . . . 2 25684 1 90 2 8.293 . 37.7278160448 . . . . . . . . . . 2 25684 1 90 3 115.064 . 21.2440886100 . . . . . . . . . . 2 25684 1 91 1 8.293 . 20.6248028718 . . . . . . . . . . 2 25684 1 91 2 4.467 . 46.8214488785 . . . . . . . . . . 2 25684 1 91 3 115.064 . 21.1105479797 . . . . . . . . . . 2 25684 1 92 1 8.293 . 20.7116154371 . . . . . . . . . . 2 25684 1 92 2 4.009 . 50.8222469452 . . . . . . . . . . 2 25684 1 92 3 115.064 . 21.2301429113 . . . . . . . . . . 2 25684 1 93 1 8.293 . 20.7102849764 . . . . . . . . . . 2 25684 1 93 2 3.852 . 56.8124335928 . . . . . . . . . . 2 25684 1 93 3 115.064 . 21.2852918108 . . . . . . . . . . 2 25684 1 94 1 7.858 . 35.0982203690 . . . . . . . . . . 2 25684 1 94 2 7.858 . 59.9205091737 . . . . . . . . . . 2 25684 1 94 3 119.225 . 50.5421704054 . . . . . . . . . . 2 25684 1 95 1 7.858 . 31.3612886785 . . . . . . . . . . 2 25684 1 95 2 8.243 . 61.4258131999 . . . . . . . . . . 2 25684 1 95 3 119.213 . 47.1557603280 . . . . . . . . . . 2 25684 1 96 1 7.858 . 44.2477990911 . . . . . . . . . . 2 25684 1 96 2 8.477 . 49.2819096610 . . . . . . . . . . 2 25684 1 96 3 119.225 . 32.1926594774 . . . . . . . . . . 2 25684 1 97 1 7.858 . 34.7366676545 . . . . . . . . . . 2 25684 1 97 2 7.413 . 56.6164975854 . . . . . . . . . . 2 25684 1 97 3 119.225 . 29.0514964859 . . . . . . . . . . 2 25684 1 98 1 8.243 . 30.2882720667 . . . . . . . . . . 2 25684 1 98 2 8.477 . 58.3626552605 . . . . . . . . . . 2 25684 1 98 3 121.301 . 28.4831036131 . . . . . . . . . . 2 25684 1 99 1 8.243 . 35.1254948148 . . . . . . . . . . 2 25684 1 99 2 8.243 . 47.0011194447 . . . . . . . . . . 2 25684 1 99 3 121.301 . 52.2629851103 . . . . . . . . . . 2 25684 1 100 1 8.243 . 33.0363387892 . . . . . . . . . . 2 25684 1 100 2 7.858 . 72.8540373248 . . . . . . . . . . 2 25684 1 100 3 121.301 . 26.0540868839 . . . . . . . . . . 2 25684 1 101 1 8.243 . 30.5716602109 . . . . . . . . . . 2 25684 1 101 2 7.413 . 49.8565802115 . . . . . . . . . . 2 25684 1 101 3 121.301 . 26.7134789626 . . . . . . . . . . 2 25684 1 102 1 7.858 . 27.5215788934 . . . . . . . . . . 2 25684 1 102 2 6.781 . 50.4851769555 . . . . . . . . . . 2 25684 1 102 3 119.225 . 23.3134753505 . . . . . . . . . . 2 25684 1 103 1 8.243 . 29.6150589166 . . . . . . . . . . 2 25684 1 103 2 10.321 . 46.8962699081 . . . . . . . . . . 2 25684 1 103 3 121.301 . 23.9341998100 . . . . . . . . . . 2 25684 1 104 1 8.477 . 22.7425638041 . . . . . . . . . . 2 25684 1 104 2 8.477 . 41.3869147270 . . . . . . . . . . 2 25684 1 104 3 110.647 . 27.0714185635 . . . . . . . . . . 2 25684 1 105 1 8.477 . 21.2740677281 . . . . . . . . . . 2 25684 1 105 2 4.469 . 51.4203147073 . . . . . . . . . . 2 25684 1 105 3 110.647 . 22.5583650668 . . . . . . . . . . 2 25684 1 106 1 8.477 . 21.9283218122 . . . . . . . . . . 2 25684 1 106 2 3.995 . 54.1804349647 . . . . . . . . . . 2 25684 1 106 3 110.647 . 22.9467316469 . . . . . . . . . . 2 25684 1 107 1 8.477 . 21.5178746644 . . . . . . . . . . 2 25684 1 107 2 3.852 . 200.0654275670 . . . . . . . . . . 2 25684 1 107 3 110.647 . 22.8746084372 . . . . . . . . . . 2 25684 1 108 1 8.477 . 22.8117477641 . . . . . . . . . . 2 25684 1 108 2 3.247 . 117.2943507260 . . . . . . . . . . 2 25684 1 108 3 110.647 . 22.3497430484 . . . . . . . . . . 2 25684 1 109 1 8.477 . 20.1192277789 . . . . . . . . . . 2 25684 1 109 2 3.339 . 121.7786077540 . . . . . . . . . . 2 25684 1 109 3 110.647 . 21.3948148489 . . . . . . . . . . 2 25684 1 110 1 8.243 . 33.0812418402 . . . . . . . . . . 2 25684 1 110 2 0.678 . 49.8288038426 . . . . . . . . . . 2 25684 1 110 3 121.301 . 26.1153634389 . . . . . . . . . . 2 25684 1 111 1 8.243 . 29.4770236116 . . . . . . . . . . 2 25684 1 111 2 0.678 . 61.5699500329 . . . . . . . . . . 2 25684 1 111 3 121.301 . 25.7362939914 . . . . . . . . . . 2 25684 1 112 1 8.243 . 29.8415698629 . . . . . . . . . . 2 25684 1 112 2 1.404 . 197.8883608180 . . . . . . . . . . 2 25684 1 112 3 121.301 . 26.2740485867 . . . . . . . . . . 2 25684 1 113 1 8.243 . 31.7008887903 . . . . . . . . . . 2 25684 1 113 2 1.456 . 50.1040651557 . . . . . . . . . . 2 25684 1 113 3 121.301 . 28.7831474344 . . . . . . . . . . 2 25684 1 114 1 8.243 . 31.1813438592 . . . . . . . . . . 2 25684 1 114 2 3.247 . 117.5135588270 . . . . . . . . . . 2 25684 1 114 3 121.301 . 26.8099014958 . . . . . . . . . . 2 25684 1 115 1 8.243 . 30.1159773969 . . . . . . . . . . 2 25684 1 115 2 3.995 . 52.8882082186 . . . . . . . . . . 2 25684 1 115 3 121.301 . 26.2705973784 . . . . . . . . . . 2 25684 1 116 1 8.243 . 35.0609674674 . . . . . . . . . . 2 25684 1 116 2 4.507 . 56.7293547238 . . . . . . . . . . 2 25684 1 116 3 121.301 . 36.3095987837 . . . . . . . . . . 2 25684 1 117 1 7.858 . 38.9196363185 . . . . . . . . . . 2 25684 1 117 2 4.507 . 55.4931811905 . . . . . . . . . . 2 25684 1 117 3 119.225 . 31.1950489879 . . . . . . . . . . 2 25684 1 118 1 7.858 . 34.2583670073 . . . . . . . . . . 2 25684 1 118 2 4.029 . 75.1368294416 . . . . . . . . . . 2 25684 1 118 3 119.225 . 29.1308038433 . . . . . . . . . . 2 25684 1 119 1 7.858 . 39.0337233296 . . . . . . . . . . 2 25684 1 119 2 3.247 . 111.7410788540 . . . . . . . . . . 2 25684 1 119 3 119.225 . 39.9572441975 . . . . . . . . . . 2 25684 1 120 1 7.858 . 39.0337233296 . . . . . . . . . . 2 25684 1 120 2 3.339 . 111.7410788540 . . . . . . . . . . 2 25684 1 120 3 119.225 . 39.9572441975 . . . . . . . . . . 2 25684 1 121 1 7.858 . 38.9728547493 . . . . . . . . . . 2 25684 1 121 2 0.531 . 59.0730796858 . . . . . . . . . . 2 25684 1 121 3 119.225 . 30.6546883782 . . . . . . . . . . 2 25684 1 122 1 7.695 . 29.9995620794 . . . . . . . . . . 2 25684 1 122 2 7.695 . 59.9163802540 . . . . . . . . . . 2 25684 1 122 3 111.184 . 38.8934268554 . . . . . . . . . . 2 25684 1 123 1 7.695 . 30.0531131254 . . . . . . . . . . 2 25684 1 123 2 7.858 . 69.1481442194 . . . . . . . . . . 2 25684 1 123 3 111.184 . 36.6657775640 . . . . . . . . . . 2 25684 1 124 1 7.695 . 33.8605592368 . . . . . . . . . . 2 25684 1 124 2 8.285 . 75.9091876623 . . . . . . . . . . 2 25684 1 124 3 111.184 . 31.6622298956 . . . . . . . . . . 2 25684 1 125 1 7.695 . 30.5660057527 . . . . . . . . . . 2 25684 1 125 2 4.173 . 56.7303556740 . . . . . . . . . . 2 25684 1 125 3 111.184 . 36.1989488204 . . . . . . . . . . 2 25684 1 126 1 7.695 . 29.4517448570 . . . . . . . . . . 2 25684 1 126 2 4.020 . 67.8924521566 . . . . . . . . . . 2 25684 1 126 3 111.184 . 35.5239206553 . . . . . . . . . . 2 25684 1 127 1 7.695 . 26.4884761048 . . . . . . . . . . 2 25684 1 127 2 3.339 . 129.6711003120 . . . . . . . . . . 2 25684 1 127 3 111.184 . 32.1877996127 . . . . . . . . . . 2 25684 1 128 1 7.695 . 29.2086031511 . . . . . . . . . . 2 25684 1 128 2 3.247 . 125.9370554820 . . . . . . . . . . 2 25684 1 128 3 111.184 . 36.0580831766 . . . . . . . . . . 2 25684 1 129 1 7.695 . 31.4494317046 . . . . . . . . . . 2 25684 1 129 2 1.164 . 61.4828673630 . . . . . . . . . . 2 25684 1 129 3 111.184 . 37.3061527809 . . . . . . . . . . 2 25684 1 130 1 8.285 . 52.0695779637 . . . . . . . . . . 2 25684 1 130 2 8.285 . 74.3593413509 . . . . . . . . . . 2 25684 1 130 3 109.641 . 47.0629298687 . . . . . . . . . . 2 25684 1 131 1 8.285 . 39.9776852466 . . . . . . . . . . 2 25684 1 131 2 4.176 . 65.2674601802 . . . . . . . . . . 2 25684 1 131 3 109.641 . 31.9934050242 . . . . . . . . . . 2 25684 1 132 1 8.285 . 48.5189107812 . . . . . . . . . . 2 25684 1 132 2 4.020 . 156.8724232700 . . . . . . . . . . 2 25684 1 132 3 109.641 . 34.8911521832 . . . . . . . . . . 2 25684 1 133 1 8.285 . 40.0195947609 . . . . . . . . . . 2 25684 1 133 2 3.893 . 152.9401902940 . . . . . . . . . . 2 25684 1 133 3 109.641 . 31.6867405176 . . . . . . . . . . 2 25684 1 134 1 8.285 . 37.8925206033 . . . . . . . . . . 2 25684 1 134 2 1.164 . 61.1515528371 . . . . . . . . . . 2 25684 1 134 3 109.641 . 32.9201600949 . . . . . . . . . . 2 25684 1 135 1 7.743 . 40.5248372387 . . . . . . . . . . 2 25684 1 135 2 7.743 . 68.7156086015 . . . . . . . . . . 2 25684 1 135 3 119.314 . 37.7197343111 . . . . . . . . . . 2 25684 1 136 1 7.743 . 29.9017732127 . . . . . . . . . . 2 25684 1 136 2 10.019 . 51.3115864886 . . . . . . . . . . 2 25684 1 136 3 119.314 . 25.7592550914 . . . . . . . . . . 2 25684 1 137 1 7.743 . 46.5418460755 . . . . . . . . . . 2 25684 1 137 2 7.437 . 51.2819333381 . . . . . . . . . . 2 25684 1 137 3 119.314 . 32.1478642027 . . . . . . . . . . 2 25684 1 138 1 7.743 . 37.0919158343 . . . . . . . . . . 2 25684 1 138 2 7.221 . 50.9844008824 . . . . . . . . . . 2 25684 1 138 3 119.314 . 34.0406758587 . . . . . . . . . . 2 25684 1 139 1 7.695 . 30.5660057527 . . . . . . . . . . 2 25684 1 139 2 4.513 . 56.7303556740 . . . . . . . . . . 2 25684 1 139 3 111.184 . 36.1989488204 . . . . . . . . . . 2 25684 1 140 1 7.743 . 45.2040677702 . . . . . . . . . . 2 25684 1 140 2 4.548 . 59.1421452516 . . . . . . . . . . 2 25684 1 140 3 119.314 . 34.0794843435 . . . . . . . . . . 2 25684 1 141 1 7.743 . 42.6658812344 . . . . . . . . . . 2 25684 1 141 2 3.250 . 159.4468672600 . . . . . . . . . . 2 25684 1 141 3 119.314 . 31.5946143866 . . . . . . . . . . 2 25684 1 142 1 7.743 . 34.6671510792 . . . . . . . . . . 2 25684 1 142 2 3.137 . 164.8890336570 . . . . . . . . . . 2 25684 1 142 3 119.314 . 33.4848904610 . . . . . . . . . . 2 25684 1 143 1 7.437 . 39.3769822085 . . . . . . . . . . 2 25684 1 143 2 7.437 . 56.6570360697 . . . . . . . . . . 2 25684 1 143 3 120.411 . 40.7408797741 . . . . . . . . . . 2 25684 1 144 1 7.437 . 39.9790157074 . . . . . . . . . . 2 25684 1 144 2 4.544 . 49.2937959450 . . . . . . . . . . 2 25684 1 144 3 120.411 . 33.1238518159 . . . . . . . . . . 2 25684 1 145 1 7.437 . 46.6020494254 . . . . . . . . . . 2 25684 1 145 2 3.250 . 193.6253137920 . . . . . . . . . . 2 25684 1 145 3 120.411 . 28.2442659140 . . . . . . . . . . 2 25684 1 146 1 7.437 . 32.9831203583 . . . . . . . . . . 2 25684 1 146 2 3.137 . 177.9519346250 . . . . . . . . . . 2 25684 1 146 3 120.411 . 44.5064297318 . . . . . . . . . . 2 25684 1 147 1 7.437 . 50.9470016882 . . . . . . . . . . 2 25684 1 147 2 1.419 . 73.8080680121 . . . . . . . . . . 2 25684 1 147 3 120.411 . 37.2115615010 . . . . . . . . . . 2 25684 1 148 1 7.437 . 44.0901394897 . . . . . . . . . . 2 25684 1 148 2 0.705 . 75.8770321362 . . . . . . . . . . 2 25684 1 148 3 120.411 . 36.6021062930 . . . . . . . . . . 2 25684 1 149 1 7.797 . 42.5102173242 . . . . . . . . . . 2 25684 1 149 2 4.228 . 91.3056789715 . . . . . . . . . . 2 25684 1 149 3 111.214 . 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56.6012330944 . . . . . . . . . . 2 25684 1 155 3 113.615 . 26.1886135737 . . . . . . . . . . 2 25684 1 156 1 8.187 . 28.5367204617 . . . . . . . . . . 2 25684 1 156 2 4.235 . 120.4333306460 . . . . . . . . . . 2 25684 1 156 3 113.615 . 25.7589733601 . . . . . . . . . . 2 25684 1 157 1 8.187 . 27.3762260542 . . . . . . . . . . 2 25684 1 157 2 2.251 . 55.5707548333 . . . . . . . . . . 2 25684 1 157 3 113.615 . 26.8209594488 . . . . . . . . . . 2 25684 1 158 1 8.187 . 29.1989573105 . . . . . . . . . . 2 25684 1 158 2 1.945 . 70.3948277300 . . . . . . . . . . 2 25684 1 158 3 113.615 . 25.8605374893 . . . . . . . . . . 2 25684 1 159 1 8.187 . 28.2829350696 . . . . . . . . . . 2 25684 1 159 2 1.209 . 51.0664788012 . . . . . . . . . . 2 25684 1 159 3 113.615 . 26.2973618507 . . . . . . . . . . 2 25684 1 160 1 8.187 . 26.7971430036 . . . . . . . . . . 2 25684 1 160 2 8.281 . 126.1831641190 . . . . . . . . . . 2 25684 1 160 3 113.615 . 30.6568717957 . . . . . . . . . . 2 25684 1 161 1 8.281 . 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113.0272998990 . . . . . . . . . . 2 25684 1 189 3 123.242 . 21.8449862301 . . . . . . . . . . 2 25684 1 190 1 8.153 . 17.6282726004 . . . . . . . . . . 2 25684 1 190 2 0.912 . 86.5776905631 . . . . . . . . . . 2 25684 1 190 3 123.242 . 21.8155100942 . . . . . . . . . . 2 25684 1 191 1 8.153 . 18.4628041190 . . . . . . . . . . 2 25684 1 191 2 0.849 . 77.8659202419 . . . . . . . . . . 2 25684 1 191 3 123.242 . 23.0545642972 . . . . . . . . . . 2 25684 1 192 1 8.282 . 17.9209739700 . . . . . . . . . . 2 25684 1 192 2 0.847 . 72.6169372392 . . . . . . . . . . 2 25684 1 192 3 122.166 . 21.8264271816 . . . . . . . . . . 2 25684 1 193 1 8.282 . 18.5901957378 . . . . . . . . . . 2 25684 1 193 2 0.913 . 93.7384885039 . . . . . . . . . . 2 25684 1 193 3 122.166 . 23.0172349016 . . . . . . . . . . 2 25684 1 194 1 8.282 . 18.6054960367 . . . . . . . . . . 2 25684 1 194 2 1.432 . 52.9177362504 . . . . . . . . . . 2 25684 1 194 3 122.166 . 22.6600700617 . . . . . . . . . . 2 25684 1 195 1 8.282 . 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29.7918158770 . . . . . . . . . . 2 25684 1 252 1 7.955 . 205.0206786570 . . . . . . . . . . 2 25684 1 252 2 7.741 . 90.2729485723 . . . . . . . . . . 2 25684 1 252 3 119.083 . 31.7318175236 . . . . . . . . . . 2 25684 1 253 1 7.741 . 54.3566400291 . . . . . . . . . . 2 25684 1 253 2 7.741 . 97.9076964467 . . . . . . . . . . 2 25684 1 253 3 121.065 . 53.5751485825 . . . . . . . . . . 2 25684 1 254 1 7.741 . 61.8258467974 . . . . . . . . . . 2 25684 1 254 2 4.691 . 76.3194521376 . . . . . . . . . . 2 25684 1 254 3 121.065 . 32.5481339296 . . . . . . . . . . 2 25684 1 255 1 7.741 . 47.2679450412 . . . . . . . . . . 2 25684 1 255 2 1.148 . 51.4253194584 . . . . . . . . . . 2 25684 1 255 3 121.065 . 31.7392834028 . . . . . . . . . . 2 25684 1 256 1 7.741 . 58.8489408223 . . . . . . . . . . 2 25684 1 256 2 4.228 . 64.4466809921 . . . . . . . . . . 2 25684 1 256 3 121.065 . 37.7196638783 . . . . . . . . . . 2 25684 1 257 1 7.955 . 34.7117215151 . . . . . . . . . . 2 25684 1 257 2 4.692 . 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. 16.4624563498 . . . . . . . . . . 2 25684 1 263 2 8.312 . 42.0867040561 . . . . . . . . . . 2 25684 1 263 3 122.510 . 19.9681628247 . . . . . . . . . . 2 25684 1 264 1 7.932 . 15.8680730004 . . . . . . . . . . 2 25684 1 264 2 2.589 . 42.3497037289 . . . . . . . . . . 2 25684 1 264 3 127.795 . 21.4393283923 . . . . . . . . . . 2 25684 1 265 1 7.797 . 49.8959376791 . . . . . . . . . . 2 25684 1 265 2 3.299 . 120.7951741540 . . . . . . . . . . 2 25684 1 265 3 111.214 . 32.8025372823 . . . . . . . . . . 2 25684 1 266 1 7.437 . 38.6791555341 . . . . . . . . . . 2 25684 1 266 2 0.657 . 80.1430820137 . . . . . . . . . . 2 25684 1 266 3 120.411 . 37.4222965042 . . . . . . . . . . 2 25684 1 267 1 7.797 . 40.2494318591 . . . . . . . . . . 2 25684 1 267 2 0.657 . 64.9896964915 . . . . . . . . . . 2 25684 1 267 3 111.214 . 31.1789198716 . . . . . . . . . . 2 25684 1 268 1 7.955 . 49.1312553510 . . . . . . . . . . 2 25684 1 268 2 1.935 . 99.2702399464 . . . . . . . . . . 2 25684 1 268 3 119.060 . 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35.5419290361 . . . . . . . . . . 2 25684 1 280 2 7.288 . 79.4401647151 . . . . . . . . . . 2 25684 1 280 3 121.041 . 33.6981610457 . . . . . . . . . . 2 25684 1 281 1 7.742 . 75.7773910571 . . . . . . . . . . 2 25684 1 281 2 3.215 . 186.1211899220 . . . . . . . . . . 2 25684 1 281 3 121.041 . 42.1817240119 . . . . . . . . . . 2 25684 1 282 1 8.280 . 26.7648793299 . . . . . . . . . . 2 25684 1 282 2 8.187 . 130.8509703950 . . . . . . . . . . 2 25684 1 282 3 117.677 . 27.9440107942 . . . . . . . . . . 2 25684 1 283 1 8.187 . 29.7950037359 . . . . . . . . . . 2 25684 1 283 2 3.619 . 83.7730280205 . . . . . . . . . . 2 25684 1 283 3 113.615 . 25.4658319553 . . . . . . . . . . 2 25684 1 284 1 7.956 . 32.1296297738 . . . . . . . . . . 2 25684 1 284 2 3.619 . 93.3326031859 . . . . . . . . . . 2 25684 1 284 3 119.055 . 29.3256210287 . . . . . . . . . . 2 25684 1 285 1 8.283 . 21.6489250503 . . . . . . . . . . 2 25684 1 285 2 3.619 . 66.2068519704 . . . . . . . . . . 2 25684 1 285 3 117.677 . 22.8528446953 . . . . . . . . . . 2 25684 1 286 1 7.742 . 38.3222594323 . . . . . . . . . . 2 25684 1 286 2 3.895 . 159.9813746830 . . . . . . . . . . 2 25684 1 286 3 119.251 . 32.8799429536 . . . . . . . . . . 2 25684 1 287 1 7.742 . 32.0115513803 . . . . . . . . . . 2 25684 1 287 2 8.286 . 72.6380823128 . . . . . . . . . . 2 25684 1 287 3 119.251 . 44.0496024489 . . . . . . . . . . 2 25684 1 288 1 7.857 . 36.0914093346 . . . . . . . . . . 2 25684 1 288 2 0.672 . 57.1097158109 . . . . . . . . . . 2 25684 1 288 3 119.215 . 29.1952498754 . . . . . . . . . . 2 25684 1 289 1 7.857 . 40.3379075004 . . . . . . . . . . 2 25684 1 289 2 1.289 . 62.8291454214 . . . . . . . . . . 2 25684 1 289 3 119.215 . 31.9195914268 . . . . . . . . . . 2 25684 1 290 1 7.857 . 36.9565414509 . . . . . . . . . . 2 25684 1 290 2 1.412 . 69.2747644234 . . . . . . . . . . 2 25684 1 290 3 119.215 . 30.0284701586 . . . . . . . . . . 2 25684 1 291 1 7.857 . 39.7342109255 . . . . . . . . . . 2 25684 1 291 2 1.460 . 74.8860914091 . . . . . . . . . . 2 25684 1 291 3 119.215 . 33.1361775597 . . . . . . . . . . 2 25684 1 292 1 7.695 . 37.8422957092 . . . . . . . . . . 2 25684 1 292 2 7.220 . 52.5416292017 . . . . . . . . . . 2 25684 1 292 3 111.194 . 44.5201641321 . . . . . . . . . . 2 25684 1 293 1 7.695 . 32.9272410060 . . . . . . . . . . 2 25684 1 293 2 0.532 . 52.7891141459 . . . . . . . . . . 2 25684 1 293 3 111.194 . 35.7092998425 . . . . . . . . . . 2 25684 1 294 1 8.279 . 25.7530639136 . . . . . . . . . . 2 25684 1 294 2 10.031 . 53.7398604653 . . . . . . . . . . 2 25684 1 294 3 109.691 . 27.4764072895 . . . . . . . . . . 2 25684 1 295 1 8.279 . 36.8384630575 . . . . . . . . . . 2 25684 1 295 2 7.436 . 56.7463708777 . . . . . . . . . . 2 25684 1 295 3 109.691 . 31.4975579580 . . . . . . . . . . 2 25684 1 296 1 8.279 . 29.1347625783 . . . . . . . . . . 2 25684 1 296 2 7.223 . 47.0799442752 . . . . . . . . . . 2 25684 1 296 3 109.691 . 27.9925390085 . . . . . . . . . . 2 25684 1 297 1 8.279 . 32.7971884656 . . . . . . . . . . 2 25684 1 297 2 0.523 . 61.6450213001 . . . . . . . . . . 2 25684 1 297 3 109.691 . 29.0353673697 . . . . . . . . . . 2 25684 1 298 1 7.953 . 30.3265228139 . . . . . . . . . . 2 25684 1 298 2 2.804 . 86.6547637308 . . . . . . . . . . 2 25684 1 298 3 119.044 . 43.3909851313 . . . . . . . . . . 2 25684 1 299 1 8.189 . 23.0439131687 . . . . . . . . . . 2 25684 1 299 2 2.804 . 76.8839880669 . . . . . . . . . . 2 25684 1 299 3 113.645 . 27.1596004566 . . . . . . . . . . 2 25684 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 1 2 2 . . 7.749 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 1 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 2 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 2 2 1 . . 4.459 . . 4 . 1 1 3 MET HA . . . . . . . . . . 195 . 25684 1 2 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 3 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 3 2 1 . . 4.364 . . 4 . 1 1 2 ALA HA . . . . . . . . . . 193 . 25684 1 3 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 4 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 4 2 1 . . 2.622 . . 4 . 1 1 3 MET HB2 . . . . . . . . . . 198 . 25684 1 4 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 5 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 5 2 1 . . 2.557 . . 4 . 1 1 3 MET HB2 . . . . . . . . . . 198 . 25684 1 5 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 6 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 6 2 1 . . 2.131 . . 4 . 1 1 3 MET HG2 . . . . . . . . . . 196 . 25684 1 6 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 7 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 7 2 1 . . 2.030 . . 4 . 1 1 3 MET HG3 . . . . . . . . . . 197 . 25684 1 7 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 8 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 8 2 1 . . 1.401 . . 4 . 1 1 2 ALA MB . . . . . . . . . . 194 . 25684 1 8 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 9 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 9 2 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 9 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 10 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 10 2 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 10 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 11 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 11 2 1 . . 4.461 . . 4 . 1 1 3 MET HA . . . . . . . . . . 195 . 25684 1 11 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 12 1 2 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 12 2 2 . . 3.992 . . 4 . 1 1 4 GLY HA2 . . . . . . . . . . 199 . 25684 1 12 3 2 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 13 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 13 2 1 . . 2.123 . . 4 . 1 1 3 MET HG2 . . . . . . . . . . 196 . 25684 1 13 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 14 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 14 2 1 . . 2.030 . . 4 . 1 1 3 MET HG3 . . . . . . . . . . 197 . 25684 1 14 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 15 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 15 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 16 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 16 2 1 . . 0.944 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 16 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 17 1 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 17 2 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 17 3 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 1 18 1 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 18 2 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 18 3 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 1 19 1 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 19 2 1 . . 4.510 . . 4 . 1 1 5 SER HA . . . . . . . . . . 200 . 25684 1 19 3 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 1 20 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 20 2 1 . . 4.510 . . 4 . 1 1 5 SER HA . . . . . . . . . . 200 . 25684 1 20 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 21 1 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 21 2 1 . . 3.992 . . 4 . 1 1 4 GLY HA2 . . . . . . . . . . 199 . 25684 1 21 3 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 1 22 1 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 22 2 1 . . 3.875 . . 4 . 1 1 5 SER HB2 . . . . . . . . . . 201 . 25684 1 22 3 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 1 23 1 1 . . 8.155 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 1 23 2 1 . . 0.944 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 23 3 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 1 24 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 24 2 1 . . 0.944 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 24 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 25 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 25 2 1 . . 2.120 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 1 25 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 26 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 26 2 1 . . 3.880 . . 4 . 1 1 5 SER HB2 . . . . . . . . . . 201 . 25684 1 26 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 27 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 27 2 1 . . 4.178 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 1 27 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 28 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 28 2 1 . . 8.375 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 28 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 29 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 29 2 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 29 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 30 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 30 2 1 . . 2.726 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 1 30 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 31 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 31 2 1 . . 2.619 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 1 31 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 32 1 1 . . 8.377 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 32 2 1 . . 0.944 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 32 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 33 1 1 . . 8.190 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 33 2 1 . . 0.944 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 33 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 34 1 1 . . 8.375 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 34 2 1 . . 2.124 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 1 34 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 35 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 35 2 1 . . 2.619 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 1 35 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 36 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 36 2 1 . . 2.726 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 1 36 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 37 1 1 . . 8.189 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 37 2 1 . . 2.619 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 1 37 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 38 1 1 . . 8.189 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 38 2 1 . . 2.721 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 1 38 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 39 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 39 2 1 . . 4.177 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 1 39 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 40 1 1 . . 8.375 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 40 2 1 . . 4.639 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 1 40 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 41 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 41 2 1 . . 8.193 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 41 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 42 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 42 2 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 42 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 43 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 43 2 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 43 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 44 1 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 44 2 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 44 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 45 1 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 45 2 1 . . 4.641 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 1 45 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 46 1 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 46 2 1 . . 4.420 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 1 46 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 47 1 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 47 2 1 . . 4.164 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 1 47 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 48 1 1 . . 8.190 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 48 2 1 . . 3.852 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 1 48 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 49 1 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 49 2 1 . . 1.401 . . 4 . 1 1 9 ALA MB . . . . . . . . . . 212 . 25684 1 49 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 50 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 50 2 1 . . 1.401 . . 4 . 1 1 9 ALA MB . . . . . . . . . . 212 . 25684 1 50 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 51 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 51 2 1 . . 2.627 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 1 51 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 52 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 52 2 4 . . 2.722 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 1 52 3 1 . . 125.749 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 53 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 53 2 1 . . 3.852 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 1 53 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 54 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 54 2 1 . . 3.917 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 1 54 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 55 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 55 2 1 . . 4.309 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 1 55 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 56 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 56 2 1 . . 4.407 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 1 56 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 57 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 57 2 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 57 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 58 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 58 2 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 58 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 59 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 59 2 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 59 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 60 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 60 2 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 60 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 61 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 61 2 1 . . 4.581 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 1 61 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 62 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 62 2 1 . . 4.309 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 1 62 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 63 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 63 2 1 . . 2.712 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 1 63 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 64 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 64 2 1 . . 2.630 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 1 64 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 65 1 1 . . 8.155 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 1 65 2 1 . . 1.401 . . 4 . 1 1 9 ALA MB . . . . . . . . . . 212 . 25684 1 65 3 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 1 66 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 66 2 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 66 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 67 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 67 2 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 67 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 68 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 68 2 1 . . 4.578 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 1 68 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 69 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 69 2 1 . . 4.309 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 1 69 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 70 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 70 2 1 . . 3.982 . . 4 . 1 1 12 GLY HA3 . . . . . . . . . . 219 . 25684 1 70 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 71 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 71 2 1 . . 2.712 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 1 71 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 72 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 72 2 1 . . 2.628 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 1 72 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 73 1 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 73 2 1 . . 1.420 . . 4 . 1 1 11 ALA MB . . . . . . . . . . 216 . 25684 1 73 3 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 1 74 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 74 2 1 . . 8.194 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 1 74 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 75 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 75 2 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 75 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 76 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 76 2 1 . . 4.309 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 1 76 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 77 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 77 2 1 . . 3.973 . . 4 . 1 1 12 GLY HA3 . . . . . . . . . . 219 . 25684 1 77 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 78 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 78 2 1 . . 2.712 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 1 78 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 79 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 79 2 1 . . 2.624 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 1 79 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 80 1 1 . . 8.398 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 80 2 1 . . 1.413 . . 4 . 1 1 11 ALA MB . . . . . . . . . . 216 . 25684 1 80 3 1 . . 107.544 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 1 81 1 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 81 2 1 . . 1.424 . . 4 . 1 1 11 ALA MB . . . . . . . . . . 216 . 25684 1 81 3 1 . . 108.422 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 1 82 1 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 82 2 1 . . 2.632 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 1 82 3 1 . . 108.422 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 1 83 1 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 83 2 1 . . 2.712 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 1 83 3 1 . . 108.422 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 1 84 1 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 84 2 1 . . 3.984 . . 4 . 1 1 13 GLY HA3 . . . . . . . . . . 221 . 25684 1 84 3 1 . . 108.422 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 1 85 1 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 85 2 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 85 3 1 . . 108.422 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 1 86 1 1 . . 8.239 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 1 86 2 1 . . 8.394 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 1 86 3 1 . . 108.422 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 1 87 1 1 . . 8.372 . . 4 . 1 1 14 GLY H . . . . . . . . . . 13 . 25684 1 87 2 1 . . 4.004 . . 4 . 1 1 14 GLY HA3 . . . . . . . . . . 223 . 25684 1 87 3 1 . . 108.775 . . 4 . 1 1 14 GLY N . . . . . . . . . . 14 . 25684 1 88 1 1 . . 8.371 . . 4 . 1 1 14 GLY H . . . . . . . . . . 13 . 25684 1 88 2 1 . . 8.372 . . 4 . 1 1 14 GLY H . . . . . . . . . . 13 . 25684 1 88 3 1 . . 108.755 . . 4 . 1 1 14 GLY N . . . . . . . . . . 14 . 25684 1 89 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 1 89 2 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 89 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 1 90 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 1 90 2 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 1 90 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 1 91 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 1 91 2 1 . . 4.467 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 1 91 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 1 92 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 1 92 2 1 . . 4.009 . . 4 . 1 1 14 GLY HA3 . . . . . . . . . . 223 . 25684 1 92 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 1 93 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 1 93 2 1 . . 3.852 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 1 93 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 1 94 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 94 2 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 94 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 95 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 95 2 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 95 3 1 . . 119.213 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 96 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 96 2 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 96 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 97 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 97 2 2 . . 7.413 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 1 97 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 98 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 98 2 2 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 98 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 99 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 99 2 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 99 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 100 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 100 2 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 100 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 101 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 101 2 2 . . 7.413 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 1 101 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 102 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 102 2 1 . . 6.781 . . 4 . 1 1 17 TRP HE3 . . . . . . . . . . 330 . 25684 1 102 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 103 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 103 2 1 . . 10.321 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 1 103 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 104 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 104 2 2 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 104 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 1 105 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 105 2 1 . . 4.469 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 1 105 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 1 106 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 106 2 2 . . 3.995 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 1 106 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 1 107 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 107 2 1 . . 3.852 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 1 107 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 1 108 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 108 2 1 . . 3.247 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 1 108 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 1 109 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 1 109 2 2 . . 3.339 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 1 109 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 1 110 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 110 2 1 . . 0.678 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 1 110 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 111 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 111 2 1 . . 0.678 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 1 111 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 112 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 112 2 1 . . 1.404 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 1 112 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 113 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 113 2 1 . . 1.456 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 1 113 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 114 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 114 2 1 . . 3.247 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 1 114 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 115 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 115 2 1 . . 3.995 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 1 115 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 116 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 116 2 1 . . 4.507 . . 4 . 1 1 17 TRP HA . . . . . . . . . . 227 . 25684 1 116 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 117 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 117 2 1 . . 4.507 . . 4 . 1 1 17 TRP HA . . . . . . . . . . 227 . 25684 1 117 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 118 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 118 2 1 . . 4.029 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 1 118 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 119 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 119 2 1 . . 3.247 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 1 119 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 120 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 120 2 2 . . 3.339 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 1 120 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 121 1 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 121 2 3 . . 0.531 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 1 121 3 1 . . 119.225 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 122 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 122 2 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 122 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 123 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 123 2 1 . . 7.858 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 123 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 124 1 2 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 124 2 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 124 3 2 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 125 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 125 2 2 . . 4.173 . . 4 . 1 1 19 THR HB . . . . . . . . . . 314 . 25684 1 125 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 126 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 126 2 1 . . 4.020 . . 4 . 1 1 19 THR HA . . . . . . . . . . 233 . 25684 1 126 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 127 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 127 2 1 . . 3.339 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 1 127 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 128 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 128 2 1 . . 3.247 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 1 128 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 129 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 129 2 2 . . 1.164 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 1 129 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 130 1 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 130 2 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 130 3 1 . . 109.641 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 131 1 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 131 2 1 . . 4.176 . . 4 . 1 1 19 THR HB . . . . . . . . . . 314 . 25684 1 131 3 1 . . 109.641 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 132 1 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 132 2 3 . . 4.020 . . 4 . 1 1 19 THR HA . . . . . . . . . . 233 . 25684 1 132 3 1 . . 109.641 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 133 1 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 133 2 1 . . 3.893 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 1 133 3 1 . . 109.641 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 134 1 1 . . 8.285 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 134 2 2 . . 1.164 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 1 134 3 1 . . 109.641 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 135 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 135 2 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 135 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 136 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 136 2 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 1 136 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 137 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 137 2 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 137 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 138 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 138 2 1 . . 7.221 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 1 138 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 139 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 139 2 1 . . 4.513 . . 4 . 1 1 17 TRP HA . . . . . . . . . . 227 . 25684 1 139 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 140 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 140 2 3 . . 4.548 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 1 140 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 141 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 141 2 1 . . 3.250 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 1 141 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 142 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 142 2 1 . . 3.137 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 1 142 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 143 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 143 2 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 143 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 144 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 144 2 2 . . 4.544 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 1 144 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 145 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 145 2 1 . . 3.250 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 1 145 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 146 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 146 2 1 . . 3.137 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 1 146 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 147 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 147 2 1 . . 1.419 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 1 147 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 148 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 148 2 1 . . 0.705 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 316 . 25684 1 148 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 149 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 149 2 1 . . 4.228 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 1 149 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 150 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 150 2 2 . . 1.692 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 1 150 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 151 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 151 2 1 . . 1.419 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 1 151 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 152 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 152 2 1 . . 1.148 . . 4 . 1 1 24 THR MG . . . . . . . . . . 320 . 25684 1 152 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 153 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 153 2 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 153 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 154 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 154 2 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 154 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 155 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 155 2 1 . . 4.353 . . 4 . 1 1 28 THR HB . . . . . . . . . . 322 . 25684 1 155 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 156 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 156 2 1 . . 4.235 . . 4 . 1 1 28 THR HA . . . . . . . . . . 323 . 25684 1 156 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 157 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 157 2 1 . . 2.251 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 1 157 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 158 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 158 2 1 . . 1.945 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 1 158 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 159 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 159 2 1 . . 1.209 . . 4 . 1 1 28 THR MG . . . . . . . . . . 250 . 25684 1 159 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 160 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 160 2 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 160 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 161 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 161 2 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 161 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 162 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 162 2 1 . . 4.535 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 1 162 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 163 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 163 2 1 . . 4.435 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 324 . 25684 1 163 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 164 1 1 . . 8.194 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 164 2 1 . . 4.535 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 1 164 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 165 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 165 2 1 . . 4.348 . . 4 . 1 1 28 THR HB . . . . . . . . . . 322 . 25684 1 165 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 166 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 166 2 1 . . 4.239 . . 4 . 1 1 28 THR HA . . . . . . . . . . 323 . 25684 1 166 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 167 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 167 2 1 . . 3.876 . . 4 . 1 1 29 SER HB3 . . . . . . . . . . 253 . 25684 1 167 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 168 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 168 2 1 . . 2.259 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 1 168 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 169 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 169 2 1 . . 1.943 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 1 169 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 170 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 170 2 1 . . 1.205 . . 4 . 1 1 28 THR MG . . . . . . . . . . 250 . 25684 1 170 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 171 1 1 . . 8.193 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 171 2 1 . . 1.184 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 1 171 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 172 1 1 . . 8.193 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 172 2 1 . . 1.943 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 1 172 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 173 1 1 . . 8.194 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 173 2 1 . . 3.876 . . 4 . 1 1 29 SER HB3 . . . . . . . . . . 253 . 25684 1 173 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 174 1 1 . . 8.193 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 174 2 1 . . 4.263 . . 4 . 1 1 30 THR HA . . . . . . . . . . 325 . 25684 1 174 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 175 1 1 . . 8.193 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 175 2 1 . . 4.375 . . 4 . 1 1 31 SER HA . . . . . . . . . . 326 . 25684 1 175 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 176 1 1 . . 8.192 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 176 2 1 . . 8.194 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 1 176 3 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 1 177 1 1 . . 8.214 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 1 177 2 1 . . 8.214 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 1 177 3 1 . . 117.746 . . 4 . 1 1 31 SER N . . . . . . . . . . 98 . 25684 1 178 1 1 . . 8.214 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 1 178 2 1 . . 4.375 . . 4 . 1 1 31 SER HA . . . . . . . . . . 326 . 25684 1 178 3 1 . . 117.746 . . 4 . 1 1 31 SER N . . . . . . . . . . 98 . 25684 1 179 1 1 . . 8.214 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 1 179 2 2 . . 4.262 . . 4 . 1 1 30 THR HA . . . . . . . . . . 325 . 25684 1 179 3 1 . . 117.746 . . 4 . 1 1 31 SER N . . . . . . . . . . 98 . 25684 1 180 1 1 . . 8.214 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 1 180 2 1 . . 3.819 . . 4 . 1 1 31 SER HB2 . . . . . . . . . . 291 . 25684 1 180 3 1 . . 117.746 . . 4 . 1 1 31 SER N . . . . . . . . . . 98 . 25684 1 181 1 1 . . 8.215 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 1 181 2 1 . . 1.184 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 1 181 3 1 . . 117.746 . . 4 . 1 1 31 SER N . . . . . . . . . . 98 . 25684 1 182 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 182 2 2 . . 8.450 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 1 182 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 183 1 1 . . 8.155 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 183 2 2 . . 4.303 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 327 . 25684 1 183 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 184 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 184 2 1 . . 3.819 . . 4 . 1 1 31 SER HB2 . . . . . . . . . . 291 . 25684 1 184 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 185 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 185 2 1 . . 3.249 . . 4 . 1 1 32 HIS HB2 . . . . . . . . . . 258 . 25684 1 185 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 186 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 186 2 1 . . 3.128 . . 4 . 1 1 32 HIS HB3 . . . . . . . . . . 259 . 25684 1 186 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 187 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 187 2 2 . . 1.578 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 1 187 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 188 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 188 2 1 . . 1.519 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 1 188 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 189 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 189 2 2 . . 1.629 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 1 189 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 190 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 190 2 2 . . 0.912 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 1 190 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 191 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 191 2 1 . . 0.849 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 1 191 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 192 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 192 2 1 . . 0.847 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 1 192 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 193 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 193 2 1 . . 0.913 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 1 193 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 194 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 194 2 1 . . 1.432 . . 4 . 1 1 34 LYS HG3 . . . . . . . . . . 269 . 25684 1 194 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 195 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 195 2 1 . . 1.720 . . 4 . 1 1 34 LYS HD2 . . . . . . . . . . 270 . 25684 1 195 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 196 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 196 2 1 . . 1.748 . . 4 . 1 1 34 LYS HD3 . . . . . . . . . . 271 . 25684 1 196 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 197 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 197 2 1 . . 1.805 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 1 197 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 198 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 198 2 1 . . 1.848 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 1 198 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 199 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 199 2 1 . . 4.301 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 1 199 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 200 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 200 2 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 200 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 201 1 1 . . 8.282 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 1 201 2 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 201 3 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 1 202 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 202 2 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 202 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 203 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 203 2 1 . . 4.283 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 1 203 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 204 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 204 2 1 . . 2.297 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 1 204 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 205 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 205 2 1 . . 2.072 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 1 205 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 206 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 206 2 1 . . 1.950 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 1 206 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 207 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 207 2 1 . . 1.852 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 1 207 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 208 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 208 2 1 . . 1.805 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 1 208 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 209 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 209 2 1 . . 1.751 . . 4 . 1 1 34 LYS HD3 . . . . . . . . . . 271 . 25684 1 209 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 210 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 210 2 1 . . 1.719 . . 4 . 1 1 34 LYS HD2 . . . . . . . . . . 270 . 25684 1 210 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 211 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 211 2 1 . . 1.431 . . 4 . 1 1 34 LYS HG3 . . . . . . . . . . 269 . 25684 1 211 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 212 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 212 2 1 . . 0.910 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 1 212 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 213 1 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 213 2 1 . . 0.849 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 1 213 3 1 . . 122.287 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 1 214 1 1 . . 8.253 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 214 2 1 . . 1.402 . . 4 . 1 1 36 ALA MB . . . . . . . . . . 279 . 25684 1 214 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 215 1 1 . . 8.253 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 215 2 1 . . 2.283 . . 4 . 1 1 37 GLU HG3 . . . . . . . . . . 282 . 25684 1 215 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 216 1 1 . . 8.253 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 216 2 1 . . 2.302 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 1 216 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 217 1 1 . . 8.252 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 217 2 2 . . 4.259 . . 4 . 1 1 36 ALA HA . . . . . . . . . . 328 . 25684 1 217 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 218 1 1 . . 8.252 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 218 2 1 . . 8.450 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 1 218 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 219 1 1 . . 8.252 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 219 2 2 . . 8.253 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 219 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 220 1 1 . . 8.250 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 220 2 1 . . 1.402 . . 4 . 1 1 36 ALA MB . . . . . . . . . . 279 . 25684 1 220 3 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 1 221 1 1 . . 8.251 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 221 2 1 . . 1.945 . . 4 . 1 1 37 GLU HB3 . . . . . . . . . . 284 . 25684 1 221 3 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 1 222 1 1 . . 8.251 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 222 2 1 . . 2.066 . . 4 . 1 1 37 GLU HB2 . . . . . . . . . . 283 . 25684 1 222 3 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 1 223 1 1 . . 8.252 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 223 2 1 . . 2.283 . . 4 . 1 1 37 GLU HG3 . . . . . . . . . . 282 . 25684 1 223 3 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 1 224 1 1 . . 8.252 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 224 2 1 . . 4.291 . . 4 . 1 1 37 GLU HA . . . . . . . . . . 280 . 25684 1 224 3 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 1 225 1 1 . . 8.251 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 225 2 1 . . 8.251 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 1 225 3 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 1 226 1 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 226 2 2 . . 1.948 . . 4 . 1 1 38 GLU HB3 . . . . . . . . . . 288 . 25684 1 226 3 1 . . 122.510 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 1 227 1 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 227 2 1 . . 2.065 . . 4 . 1 1 38 GLU HB2 . . . . . . . . . . 287 . 25684 1 227 3 1 . . 122.510 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 1 228 1 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 228 2 1 . . 2.283 . . 4 . 1 1 38 GLU HG2 . . . . . . . . . . 286 . 25684 1 228 3 1 . . 122.510 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 1 229 1 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 229 2 1 . . 4.289 . . 4 . 1 1 38 GLU HA . . . . . . . . . . 329 . 25684 1 229 3 1 . . 122.510 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 1 230 1 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 230 2 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 230 3 1 . . 122.510 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 1 231 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 231 2 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 231 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 232 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 232 2 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 232 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 233 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 233 2 1 . . 4.305 . . 4 . 1 1 39 LYS HA . . . . . . . . . . 292 . 25684 1 233 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 234 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 234 2 2 . . 2.072 . . 4 . 1 1 37 GLU HB2 . . . . . . . . . . 283 . 25684 1 234 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 235 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 235 2 2 . . 1.946 . . 4 . 1 1 37 GLU HB3 . . . . . . . . . . 284 . 25684 1 235 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 236 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 236 2 1 . . 1.832 . . 4 . 1 1 39 LYS HB2 . . . . . . . . . . 300 . 25684 1 236 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 237 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 237 2 1 . . 1.710 . . 4 . 1 1 39 LYS HB3 . . . . . . . . . . 303 . 25684 1 237 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 238 1 1 . . 8.254 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 238 2 1 . . 1.950 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 1 238 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 239 1 1 . . 8.252 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 1 239 2 1 . . 2.068 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 1 239 3 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 1 240 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 240 2 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 240 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 241 1 1 . . 8.560 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 241 2 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 241 3 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 1 242 1 1 . . 8.413 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 1 242 2 1 . . 8.555 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 1 242 3 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 1 243 1 1 . . 8.190 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 243 2 1 . . 3.917 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 1 243 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 244 1 1 . . 8.218 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 1 244 2 1 . . 0.921 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 244 3 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 1 245 1 1 . . 8.190 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 245 2 1 . . 0.921 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 245 3 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 246 1 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 246 2 1 . . 0.921 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 1 246 3 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 1 247 1 1 . . 8.379 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 1 247 2 1 . . 8.191 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 247 3 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 1 248 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 248 2 2 . . 3.339 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 1 248 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 249 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 249 2 3 . . 6.781 . . 4 . 1 1 17 TRP HE3 . . . . . . . . . . 330 . 25684 1 249 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 250 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 250 2 4 . . 4.229 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 1 250 3 1 . . 119.083 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 251 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 251 2 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 251 3 1 . . 119.083 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 252 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 252 2 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 252 3 1 . . 119.083 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 253 1 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 253 2 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 253 3 1 . . 121.065 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 254 1 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 254 2 2 . . 4.691 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 241 . 25684 1 254 3 1 . . 121.065 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 255 1 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 255 2 1 . . 1.148 . . 4 . 1 1 24 THR MG . . . . . . . . . . 320 . 25684 1 255 3 1 . . 121.065 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 256 1 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 256 2 1 . . 4.228 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 1 256 3 1 . . 121.065 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 257 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 257 2 3 . . 4.692 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 1 257 3 1 . . 119.083 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 258 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 258 2 1 . . 3.299 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 1 258 3 1 . . 119.083 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 259 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 259 2 1 . . 3.214 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 1 259 3 1 . . 119.083 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 260 1 1 . . 8.281 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 260 2 1 . . 4.440 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 324 . 25684 1 260 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 261 1 1 . . 8.443 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 1 261 2 1 . . 8.442 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 1 261 3 1 . . 120.624 . . 4 . 1 1 32 HIS N . . . . . . . . . . 338 . 25684 1 262 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 262 2 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 262 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 263 1 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 263 2 1 . . 8.312 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 1 263 3 1 . . 122.510 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 1 264 1 1 . . 7.932 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 1 264 2 2 . . 2.589 . . 4 . 1 1 39 LYS HE2 . . . . . . . . . . 340 . 25684 1 264 3 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 1 265 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 265 2 1 . . 3.299 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 1 265 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 266 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 266 2 1 . . 0.657 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 378 . 25684 1 266 3 1 . . 120.411 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 267 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 267 2 1 . . 0.657 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 378 . 25684 1 267 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 268 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 268 2 1 . . 1.935 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 1 268 3 1 . . 119.060 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 269 1 1 . . 7.954 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 269 2 1 . . 1.148 . . 4 . 1 1 24 THR MG . . . . . . . . . . 320 . 25684 1 269 3 1 . . 119.060 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 270 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 270 2 1 . . 3.215 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 1 270 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 271 1 1 . . 7.797 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 1 271 2 1 . . 0.705 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 316 . 25684 1 271 3 1 . . 111.214 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 1 272 1 1 . . 8.243 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 1 272 2 1 . . 0.527 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 1 272 3 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 1 273 1 1 . . 7.743 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 273 2 1 . . 0.534 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 1 273 3 1 . . 119.314 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 274 1 1 . . 7.747 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 274 2 1 . . 3.295 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 1 274 3 1 . . 121.024 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 275 1 1 . . 7.437 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 275 2 1 . . 7.222 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 1 275 3 1 . . 120.432 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 1 276 1 1 . . 7.743 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 276 2 1 . . 7.484 . . 4 . 1 1 25 TRP HE3 . . . . . . . . . . 336 . 25684 1 276 3 1 . . 121.041 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 277 1 1 . . 8.153 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 1 277 2 1 . . 1.195 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 1 277 3 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 1 278 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 278 2 1 . . 7.413 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 1 278 3 1 . . 111.184 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 279 1 1 . . 8.192 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 1 279 2 1 . . 8.376 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 1 279 3 1 . . 116.316 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 1 280 1 1 . . 7.741 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 280 2 1 . . 7.288 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 1 280 3 1 . . 121.041 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 281 1 1 . . 7.742 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 1 281 2 1 . . 3.215 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 1 281 3 1 . . 121.041 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 1 282 1 1 . . 8.280 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 282 2 2 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 282 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 283 1 1 . . 8.187 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 283 2 1 . . 3.619 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 1 283 3 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 284 1 1 . . 7.956 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 284 2 1 . . 3.619 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 1 284 3 1 . . 119.055 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 285 1 1 . . 8.283 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 1 285 2 1 . . 3.619 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 1 285 3 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 1 286 1 1 . . 7.742 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 286 2 1 . . 3.895 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 1 286 3 1 . . 119.251 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 287 1 1 . . 7.742 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 1 287 2 1 . . 8.286 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 287 3 1 . . 119.251 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 1 288 1 1 . . 7.857 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 288 2 1 . . 0.672 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 1 288 3 1 . . 119.215 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 289 1 1 . . 7.857 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 289 2 1 . . 1.289 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 231 . 25684 1 289 3 1 . . 119.215 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 290 1 1 . . 7.857 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 290 2 2 . . 1.412 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 1 290 3 1 . . 119.215 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 291 1 1 . . 7.857 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 1 291 2 1 . . 1.460 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 1 291 3 1 . . 119.215 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 1 292 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 292 2 1 . . 7.220 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 1 292 3 1 . . 111.194 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 293 1 1 . . 7.695 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 1 293 2 1 . . 0.532 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 1 293 3 1 . . 111.194 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 1 294 1 1 . . 8.279 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 294 2 1 . . 10.031 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 1 294 3 1 . . 109.691 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 295 1 1 . . 8.279 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 295 2 1 . . 7.436 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 1 295 3 1 . . 109.691 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 296 1 1 . . 8.279 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 296 2 1 . . 7.223 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 1 296 3 1 . . 109.691 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 297 1 1 . . 8.279 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 1 297 2 1 . . 0.523 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 1 297 3 1 . . 109.691 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 1 298 1 1 . . 7.953 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 1 298 2 1 . . 2.804 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 1 298 3 1 . . 119.044 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 1 299 1 1 . . 8.189 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 1 299 2 1 . . 2.804 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 1 299 3 1 . . 113.645 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 1 stop_ save_ save_peak_list_1_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $wr10_43_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $1 _Spectral_peak_list.Experiment_ID 4 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'New list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 5580.35693359 Hz . . . . . . 25684 2 2 . . H 1 1H . . 8396.57910156 Hz . . . . . . 25684 2 3 . . N 15 15N . . 1772.50000000 Hz . . . . . . 25684 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25684 2 2 1.0 . . 25684 2 3 1.0 . . 25684 2 4 1.0 . . 25684 2 5 1.0 . . 25684 2 6 1.0 . . 25684 2 7 1.0 . . 25684 2 8 1.0 . . 25684 2 9 1.0 . . 25684 2 10 1.0 . . 25684 2 11 1.0 . . 25684 2 12 1.0 . . 25684 2 13 1.0 . . 25684 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 103290.9687500 . height 25684 2 1 1507414.0175800 . volume 25684 2 2 105234.8671880 . height 25684 2 2 1587971.0683600 . volume 25684 2 3 131463.4531250 . height 25684 2 3 2061118.2656200 . volume 25684 2 4 101924.5937500 . height 25684 2 4 1550294.8105500 . volume 25684 2 5 62299.0820312 . height 25684 2 5 882011.9023440 . volume 25684 2 6 70974.7812500 . height 25684 2 6 1181696.8222700 . volume 25684 2 7 103301.7734380 . height 25684 2 7 1614562.9902300 . volume 25684 2 8 253286.7500000 . height 25684 2 8 4089343.3125000 . volume 25684 2 9 59065.6601562 . height 25684 2 9 934999.9042970 . volume 25684 2 10 144802.4687500 . height 25684 2 10 2357905.6113300 . volume 25684 2 11 300204.3750000 . height 25684 2 11 4436895.3984400 . volume 25684 2 12 79622.9687500 . height 25684 2 12 1114676.7116100 . volume 25684 2 13 37151.6054688 . height 25684 2 13 509672.7441410 . volume 25684 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.293 . 19.5996828478 . . . . . . . . . . 2 25684 2 1 2 7.417 . 51.9200391093 . . . . . . . . . . 2 25684 2 1 3 115.064 . 20.6467478474 . . . . . . . . . . 2 25684 2 2 1 8.293 . 19.0655028482 . . . . . . . . . . 2 25684 2 2 2 1.399 . 62.4888223435 . . . . . . . . . . 2 25684 2 2 3 115.064 . 22.8376312057 . . . . . . . . . . 2 25684 2 3 1 8.293 . 20.9627399077 . . . . . . . . . . 2 25684 2 3 2 1.167 . 76.3474787440 . . . . . . . . . . 2 25684 2 3 3 115.064 . 22.6261918743 . . . . . . . . . . 2 25684 2 4 1 8.291 . 21.2294972923 . . . . . . . . . . 2 25684 2 4 2 0.673 . 58.6691962683 . . . . . . . . . . 2 25684 2 4 3 115.064 . 22.2570534547 . . . . . . . . . . 2 25684 2 5 1 8.293 . 18.2848549909 . . . . . . . . . . 2 25684 2 5 2 0.528 . 49.0500645642 . . . . . . . . . . 2 25684 2 5 3 115.064 . 19.4532636801 . . . . . . . . . . 2 25684 2 6 1 8.478 . 21.2926941789 . . . . . . . . . . 2 25684 2 6 2 0.524 . 58.8728896399 . . . . . . . . . . 2 25684 2 6 3 110.647 . 24.8733510574 . . . . . . . . . . 2 25684 2 7 1 8.478 . 22.0201236054 . . . . . . . . . . 2 25684 2 7 2 0.678 . 58.5851164490 . . . . . . . . . . 2 25684 2 7 3 110.647 . 22.8613670667 . . . . . . . . . . 2 25684 2 8 1 8.478 . 20.7382246526 . . . . . . . . . . 2 25684 2 8 2 1.168 . 65.6623350456 . . . . . . . . . . 2 25684 2 8 3 110.647 . 24.1185929378 . . . . . . . . . . 2 25684 2 9 1 8.292 . 18.4538235088 . . . . . . . . . . 2 25684 2 9 2 1.292 . 275.9004197940 . . . . . . . . . . 2 25684 2 9 3 115.064 . 22.6714097460 . . . . . . . . . . 2 25684 2 10 1 8.477 . 20.3134750514 . . . . . . . . . . 2 25684 2 10 2 7.866 . 71.3100715960 . . . . . . . . . . 2 25684 2 10 3 110.615 . 22.4569418033 . . . . . . . . . . 2 25684 2 11 1 8.477 . 21.3934765823 . . . . . . . . . . 2 25684 2 11 2 7.412 . 49.8132891140 . . . . . . . . . . 2 25684 2 11 3 110.647 . 22.7189519008 . . . . . . . . . . 2 25684 2 12 1 8.475 . 19.5112072065 . . . . . . . . . . 2 25684 2 12 2 10.324 . 50.9922520857 . . . . . . . . . . 2 25684 2 12 3 110.647 . 21.0885729392 . . . . . . . . . . 2 25684 2 13 1 8.293 . 15.7223875459 . . . . . . . . . . 2 25684 2 13 2 10.320 . 46.5069315486 . . . . . . . . . . 2 25684 2 13 3 115.090 . 22.9980771740 . . . . . . . . . . 2 25684 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 1 2 1 . . 7.417 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 2 1 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 2 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 2 2 2 . . 1.399 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 2 2 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 3 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 3 2 1 . . 1.167 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 2 3 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 4 1 1 . . 8.291 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 4 2 1 . . 0.673 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 2 4 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 5 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 5 2 1 . . 0.528 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 2 5 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 6 1 1 . . 8.478 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 2 6 2 1 . . 0.524 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 2 6 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 2 7 1 1 . . 8.478 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 2 7 2 1 . . 0.678 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 2 7 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 2 8 1 1 . . 8.478 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 2 8 2 1 . . 1.168 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 2 8 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 2 9 1 1 . . 8.292 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 9 2 1 . . 1.292 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 231 . 25684 2 9 3 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 10 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 2 10 2 1 . . 7.866 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 2 10 3 1 . . 110.615 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 2 11 1 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 2 11 2 1 . . 7.412 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 2 11 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 2 12 1 1 . . 8.475 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 2 12 2 1 . . 10.324 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 2 12 3 1 . . 110.647 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 2 13 1 1 . . 8.293 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 2 13 2 1 . . 10.320 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 2 13 3 1 . . 115.090 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 2 stop_ save_ save_peak_list_1_2_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $wr10_43_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $1 _Spectral_peak_list.Experiment_ID 4 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'New list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 5580.35693359 Hz . . . . . . 25684 3 2 . . H 1 1H . . 8396.57910156 Hz . . . . . . 25684 3 3 . . N 15 15N . . 1772.50000000 Hz . . . . . . 25684 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25684 3 2 1.0 . . 25684 3 3 1.0 . . 25684 3 4 1.0 . . 25684 3 5 1.0 . . 25684 3 6 1.0 . . 25684 3 7 1.0 . . 25684 3 8 1.0 . . 25684 3 9 1.0 . . 25684 3 10 1.0 . . 25684 3 11 1.0 . . 25684 3 12 1.0 . . 25684 3 13 1.0 . . 25684 3 14 1.0 . . 25684 3 15 1.0 . . 25684 3 16 1.0 . . 25684 3 17 1.0 . . 25684 3 18 1.0 . . 25684 3 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 161681.1093750 . height 25684 3 1 2589457.6367200 . volume 25684 3 2 212100.0312500 . height 25684 3 2 3517881.6679700 . volume 25684 3 3 95746.8281250 . height 25684 3 3 1561904.0488300 . volume 25684 3 4 77744.8906250 . height 25684 3 4 1474972.8847700 . volume 25684 3 5 238630.6562500 . height 25684 3 5 4231147.2421900 . volume 25684 3 6 196809.4375000 . height 25684 3 6 3396099.2421900 . volume 25684 3 7 4110030.5000000 . height 25684 3 7 55881876.6875000 . volume 25684 3 8 270153.4062500 . height 25684 3 8 4394962.8437500 . volume 25684 3 9 118948.3203120 . height 25684 3 9 2192650.1464800 . volume 25684 3 10 100889.0312500 . height 25684 3 10 2101170.9648400 . volume 25684 3 11 132961.1718750 . height 25684 3 11 2692589.1484400 . volume 25684 3 12 244023.8281250 . height 25684 3 12 4404936.9765600 . volume 25684 3 13 1433459.6250000 . height 25684 3 13 23793211.0000000 . volume 25684 3 14 877232.4375000 . height 25684 3 14 14351101.8359000 . volume 25684 3 15 50502.0742188 . height 25684 3 15 1014249.5937500 . volume 25684 3 16 137716.3437500 . height 25684 3 16 2600759.1132800 . volume 25684 3 17 82967.0234375 . height 25684 3 17 1142556.8105500 . volume 25684 3 18 332980.7500000 . height 25684 3 18 5366901.1406200 . volume 25684 3 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 10.314 . 21.2213482200 . . . . . . . . . . 2 25684 3 1 2 0.531 . 55.4916797652 . . . . . . . . . . 2 25684 3 1 3 129.832 . 23.8928161251 . . . . . . . . . . 2 25684 3 2 1 10.313 . 22.3567301805 . . . . . . . . . . 2 25684 3 2 2 0.678 . 64.0362913980 . . . . . . . . . . 2 25684 3 2 3 129.832 . 23.8202218960 . . . . . . . . . . 2 25684 3 3 1 10.313 . 20.7018032890 . . . . . . . . . . 2 25684 3 3 2 1.408 . 86.8684666047 . . . . . . . . . . 2 25684 3 3 3 129.832 . 22.2451987304 . . . . . . . . . . 2 25684 3 4 1 10.313 . 21.4816196084 . . . . . . . . . . 2 25684 3 4 2 1.462 . 109.3438030550 . . . . . . . . . . 2 25684 3 4 3 129.832 . 24.3680880032 . . . . . . . . . . 2 25684 3 5 1 10.313 . 21.7212688547 . . . . . . . . . . 2 25684 3 5 2 3.250 . 117.7442778550 . . . . . . . . . . 2 25684 3 5 3 129.832 . 23.1404351133 . . . . . . . . . . 2 25684 3 6 1 10.313 . 20.8644521182 . . . . . . . . . . 2 25684 3 6 2 3.338 . 127.6697003290 . . . . . . . . . . 2 25684 3 6 3 129.832 . 23.3427181778 . . . . . . . . . . 2 25684 3 7 1 10.313 . 21.1609785625 . . . . . . . . . . 2 25684 3 7 2 7.413 . 40.5149619585 . . . . . . . . . . 2 25684 3 7 3 129.832 . 23.0641563671 . . . . . . . . . . 2 25684 3 8 1 10.314 . 22.5291911579 . . . . . . . . . . 2 25684 3 8 2 8.246 . 60.1742500569 . . . . . . . . . . 2 25684 3 8 3 129.832 . 23.4842045108 . . . . . . . . . . 2 25684 3 9 1 10.020 . 27.4884836818 . . . . . . . . . . 2 25684 3 9 2 0.532 . 55.2639635880 . . . . . . . . . . 2 25684 3 9 3 129.169 . 29.4100347658 . . . . . . . . . . 2 25684 3 10 1 10.019 . 28.8355752124 . . . . . . . . . . 2 25684 3 10 2 3.138 . 190.0148863140 . . . . . . . . . . 2 25684 3 10 3 129.169 . 28.4610229234 . . . . . . . . . . 2 25684 3 11 1 10.019 . 28.6641120805 . . . . . . . . . . 2 25684 3 11 2 3.253 . 157.2968261670 . . . . . . . . . . 2 25684 3 11 3 129.169 . 28.2605799163 . . . . . . . . . . 2 25684 3 12 1 10.019 . 27.7096727849 . . . . . . . . . . 2 25684 3 12 2 6.966 . 56.3617557520 . . . . . . . . . . 2 25684 3 12 3 129.169 . 27.8105229884 . . . . . . . . . . 2 25684 3 13 1 10.019 . 27.2628042735 . . . . . . . . . . 2 25684 3 13 2 7.221 . 44.9319050830 . . . . . . . . . . 2 25684 3 13 3 129.169 . 27.5915473451 . . . . . . . . . . 2 25684 3 14 1 10.020 . 26.7123261295 . . . . . . . . . . 2 25684 3 14 2 7.328 . 44.2872931353 . . . . . . . . . . 2 25684 3 14 3 129.169 . 27.5031629577 . . . . . . . . . . 2 25684 3 15 1 10.016 . 31.4875161442 . . . . . . . . . . 2 25684 3 15 2 8.279 . 79.5004719665 . . . . . . . . . . 2 25684 3 15 3 129.169 . 27.1952658768 . . . . . . . . . . 2 25684 3 16 1 10.015 . 27.4630386195 . . . . . . . . . . 2 25684 3 16 2 7.741 . 68.4139472261 . . . . . . . . . . 2 25684 3 16 3 129.169 . 26.9455991313 . . . . . . . . . . 2 25684 3 17 1 10.314 . 18.7787885521 . . . . . . . . . . 2 25684 3 17 2 8.477 . 47.8130151995 . . . . . . . . . . 2 25684 3 17 3 129.869 . 20.8365599004 . . . . . . . . . . 2 25684 3 18 1 10.314 . 22.3442571107 . . . . . . . . . . 2 25684 3 18 2 3.998 . 63.9271878231 . . . . . . . . . . 2 25684 3 18 3 129.879 . 23.8099827245 . . . . . . . . . . 2 25684 3 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 1 2 1 . . 0.531 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 3 1 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 2 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 2 2 1 . . 0.678 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 3 2 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 3 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 3 2 1 . . 1.408 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 3 3 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 4 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 4 2 1 . . 1.462 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 3 4 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 5 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 5 2 1 . . 3.250 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 3 5 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 6 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 6 2 1 . . 3.338 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 3 6 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 7 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 7 2 1 . . 7.413 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 3 7 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 8 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 8 2 1 . . 8.246 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 3 8 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 9 1 1 . . 10.020 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 9 2 1 . . 0.532 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 3 9 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 10 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 10 2 1 . . 3.138 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 3 10 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 11 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 11 2 1 . . 3.253 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 3 11 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 12 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 12 2 1 . . 6.966 . . 4 . 1 1 21 TRP HH2 . . . . . . . . . . 382 . 25684 3 12 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 13 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 13 2 1 . . 7.221 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 3 13 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 14 1 1 . . 10.020 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 14 2 1 . . 7.328 . . 4 . 1 1 21 TRP HZ2 . . . . . . . . . . 391 . 25684 3 14 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 15 1 1 . . 10.016 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 15 2 1 . . 8.279 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 3 15 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 16 1 1 . . 10.015 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3 16 2 1 . . 7.741 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 3 16 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3 17 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 17 2 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 3 17 3 1 . . 129.869 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 18 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3 18 2 1 . . 3.998 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 3 18 3 1 . . 129.879 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3 stop_ save_ save_peak_list_1_2_3_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $wr10_43_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C 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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 12626.26269530 Hz . . . . . . 25684 4 2 . . C 13 13C . . 13586.95703120 Hz . . . . . . 25684 4 3 . . H 1 1H . . 9000.90039062 Hz . . . . . . 25684 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25684 4 2 1.0 . . 25684 4 3 1.0 . . 25684 4 4 1.0 . . 25684 4 5 1.0 . . 25684 4 6 1.0 . . 25684 4 7 1.0 . . 25684 4 8 1.0 . . 25684 4 9 1.0 . . 25684 4 10 1.0 . . 25684 4 11 1.0 . . 25684 4 12 1.0 . . 25684 4 13 1.0 . . 25684 4 14 1.0 . . 25684 4 15 1.0 . . 25684 4 16 1.0 . . 25684 4 17 1.0 . . 25684 4 18 1.0 . . 25684 4 19 1.0 . . 25684 4 20 1.0 . . 25684 4 21 1.0 . . 25684 4 22 1.0 . . 25684 4 23 1.0 . . 25684 4 24 1.0 . . 25684 4 25 1.0 . . 25684 4 26 1.0 . . 25684 4 27 1.0 . . 25684 4 28 1.0 . . 25684 4 29 1.0 . . 25684 4 30 1.0 . . 25684 4 31 1.0 . . 25684 4 32 1.0 . . 25684 4 33 1.0 . . 25684 4 34 1.0 . . 25684 4 35 1.0 . . 25684 4 36 1.0 . . 25684 4 37 1.0 . . 25684 4 38 1.0 . . 25684 4 39 1.0 . . 25684 4 40 1.0 . . 25684 4 41 1.0 . . 25684 4 42 1.0 . . 25684 4 43 1.0 . . 25684 4 44 1.0 . . 25684 4 45 1.0 . . 25684 4 46 1.0 . . 25684 4 47 1.0 . . 25684 4 48 1.0 . . 25684 4 49 1.0 . . 25684 4 50 1.0 . . 25684 4 51 1.0 . . 25684 4 52 1.0 . . 25684 4 53 1.0 . . 25684 4 54 1.0 . . 25684 4 55 1.0 . . 25684 4 56 1.0 . . 25684 4 57 1.0 . . 25684 4 58 1.0 . . 25684 4 59 1.0 . . 25684 4 60 1.0 . . 25684 4 61 1.0 . . 25684 4 62 1.0 . . 25684 4 63 1.0 . . 25684 4 64 1.0 . . 25684 4 65 1.0 . . 25684 4 66 1.0 . . 25684 4 67 1.0 . . 25684 4 68 1.0 . . 25684 4 69 1.0 . . 25684 4 70 1.0 . . 25684 4 71 1.0 . . 25684 4 72 1.0 . . 25684 4 73 1.0 . . 25684 4 74 1.0 . . 25684 4 75 1.0 . . 25684 4 76 1.0 . . 25684 4 77 1.0 . . 25684 4 78 1.0 . . 25684 4 79 1.0 . . 25684 4 80 1.0 . . 25684 4 81 1.0 . . 25684 4 82 1.0 . . 25684 4 83 1.0 . . 25684 4 84 1.0 . . 25684 4 85 1.0 . . 25684 4 86 1.0 . . 25684 4 87 1.0 . . 25684 4 88 1.0 . . 25684 4 89 1.0 . . 25684 4 90 1.0 . . 25684 4 91 1.0 . . 25684 4 92 1.0 . . 25684 4 93 1.0 . . 25684 4 94 1.0 . . 25684 4 95 1.0 . . 25684 4 96 1.0 . . 25684 4 97 1.0 . . 25684 4 98 1.0 . . 25684 4 99 1.0 . . 25684 4 100 1.0 . . 25684 4 101 1.0 . . 25684 4 102 1.0 . . 25684 4 103 1.0 . . 25684 4 104 1.0 . . 25684 4 105 1.0 . . 25684 4 106 1.0 . . 25684 4 107 1.0 . . 25684 4 108 1.0 . . 25684 4 109 1.0 . . 25684 4 110 1.0 . . 25684 4 111 1.0 . . 25684 4 112 1.0 . . 25684 4 113 1.0 . . 25684 4 114 1.0 . . 25684 4 115 1.0 . . 25684 4 116 1.0 . . 25684 4 117 1.0 . . 25684 4 118 1.0 . . 25684 4 119 1.0 . . 25684 4 120 1.0 . . 25684 4 121 1.0 . . 25684 4 122 1.0 . . 25684 4 123 1.0 . . 25684 4 124 1.0 . . 25684 4 125 1.0 . . 25684 4 126 1.0 . . 25684 4 127 1.0 . . 25684 4 128 1.0 . . 25684 4 129 1.0 . . 25684 4 130 1.0 . . 25684 4 131 1.0 . . 25684 4 132 1.0 . . 25684 4 133 1.0 . . 25684 4 134 1.0 . . 25684 4 135 1.0 . . 25684 4 136 1.0 . . 25684 4 137 1.0 . . 25684 4 138 1.0 . . 25684 4 139 1.0 . . 25684 4 140 1.0 . . 25684 4 141 1.0 . . 25684 4 142 1.0 . . 25684 4 143 1.0 . . 25684 4 144 1.0 . . 25684 4 145 1.0 . . 25684 4 146 1.0 . . 25684 4 147 1.0 . . 25684 4 148 1.0 . . 25684 4 149 1.0 . . 25684 4 150 1.0 . . 25684 4 151 1.0 . . 25684 4 152 1.0 . . 25684 4 153 1.0 . . 25684 4 154 1.0 . . 25684 4 155 1.0 . . 25684 4 156 1.0 . . 25684 4 157 1.0 . . 25684 4 158 1.0 . . 25684 4 159 1.0 . . 25684 4 160 1.0 . . 25684 4 161 1.0 . . 25684 4 162 1.0 . . 25684 4 163 1.0 . . 25684 4 164 1.0 . . 25684 4 165 1.0 . . 25684 4 166 1.0 . . 25684 4 167 1.0 . . 25684 4 168 1.0 . . 25684 4 169 1.0 . . 25684 4 170 1.0 . . 25684 4 171 1.0 . . 25684 4 172 1.0 . . 25684 4 173 1.0 . . 25684 4 174 1.0 . . 25684 4 175 1.0 . . 25684 4 176 1.0 . . 25684 4 177 1.0 . . 25684 4 178 1.0 . . 25684 4 179 1.0 . . 25684 4 180 1.0 . . 25684 4 181 1.0 . . 25684 4 182 1.0 . . 25684 4 183 1.0 . . 25684 4 184 1.0 . . 25684 4 185 1.0 . . 25684 4 186 1.0 . . 25684 4 187 1.0 . . 25684 4 188 1.0 . . 25684 4 189 1.0 . . 25684 4 190 1.0 . . 25684 4 191 1.0 . . 25684 4 192 1.0 . . 25684 4 193 1.0 . . 25684 4 194 1.0 . . 25684 4 195 1.0 . . 25684 4 196 1.0 . . 25684 4 197 1.0 . . 25684 4 198 1.0 . . 25684 4 199 1.0 . . 25684 4 200 1.0 . . 25684 4 201 1.0 . . 25684 4 202 1.0 . . 25684 4 203 1.0 . . 25684 4 204 1.0 . . 25684 4 205 1.0 . . 25684 4 206 1.0 . . 25684 4 207 1.0 . . 25684 4 208 1.0 . . 25684 4 209 1.0 . . 25684 4 210 1.0 . . 25684 4 211 1.0 . . 25684 4 212 1.0 . . 25684 4 213 1.0 . . 25684 4 214 1.0 . . 25684 4 215 1.0 . . 25684 4 216 1.0 . . 25684 4 217 1.0 . . 25684 4 218 1.0 . . 25684 4 219 1.0 . . 25684 4 220 1.0 . . 25684 4 221 1.0 . . 25684 4 222 1.0 . . 25684 4 223 1.0 . . 25684 4 224 1.0 . . 25684 4 225 1.0 . . 25684 4 226 1.0 . . 25684 4 227 1.0 . . 25684 4 228 1.0 . . 25684 4 229 1.0 . . 25684 4 230 1.0 . . 25684 4 231 1.0 . . 25684 4 232 1.0 . . 25684 4 233 1.0 . . 25684 4 234 1.0 . . 25684 4 235 1.0 . . 25684 4 236 1.0 . . 25684 4 237 1.0 . . 25684 4 238 1.0 . . 25684 4 239 1.0 . . 25684 4 240 1.0 . . 25684 4 241 1.0 . . 25684 4 242 1.0 . . 25684 4 243 1.0 . . 25684 4 244 1.0 . . 25684 4 245 1.0 . . 25684 4 246 1.0 . . 25684 4 247 1.0 . . 25684 4 248 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_Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 4.627 . 21.9799654650 . . . . . . . . . . 2 25684 4 1 2 53.932 . 99.1469853201 . . . . . . . . . . 2 25684 4 1 3 2.683 . 132.0084659710 . . . . . . . . . . 2 25684 4 2 1 4.627 . 19.4317163702 . . . . . . . . . . 2 25684 4 2 2 53.944 . 105.3868468040 . . . . . . . . . . 2 25684 4 2 3 2.763 . 129.5175175010 . . . . . . . . . . 2 25684 4 3 1 4.274 . 29.1904718377 . . . . . . . . . . 2 25684 4 3 2 69.189 . 116.4413551410 . . . . . . . . . . 2 25684 4 3 3 1.240 . 70.0233888021 . . . . . . . . . . 2 25684 4 4 1 4.274 . 24.7637733215 . . . . . . . . . . 2 25684 4 4 2 69.189 . 121.0871997710 . . . . . . . . . . 2 25684 4 4 3 4.274 . 68.8109090389 . . . . . . . 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50.372 . 82.1458935444 . . . . . . . . . . 2 25684 4 22 3 1.999 . 99.3434027572 . . . . . . . . . . 2 25684 4 23 1 3.440 . 30.2252747040 . . . . . . . . . . 2 25684 4 23 2 50.372 . 81.4972071007 . . . . . . . . . . 2 25684 4 23 3 1.999 . 102.9132436180 . . . . . . . . . . 2 25684 4 24 1 3.689 . 38.1070859180 . . . . . . . . . . 2 25684 4 24 2 50.372 . 83.5525956077 . . . . . . . . . . 2 25684 4 24 3 2.808 . 165.3972615730 . . . . . . . . . . 2 25684 4 25 1 3.440 . 29.0730687489 . . . . . . . . . . 2 25684 4 25 2 50.372 . 90.3978167878 . . . . . . . . . . 2 25684 4 25 3 2.808 . 142.0967267970 . . . . . . . . . . 2 25684 4 26 1 3.443 . 29.3703393905 . . . . . . . . . . 2 25684 4 26 2 50.373 . 81.8426063120 . . . . . . . . . . 2 25684 4 26 3 4.664 . 72.4386914100 . . . . . . . . . . 2 25684 4 27 1 3.689 . 28.3987535720 . . . . . . . . . . 2 25684 4 27 2 50.372 . 81.7891564927 . . . . . . . . . . 2 25684 4 27 3 4.664 . 73.0765845244 . . . . . . . . . . 2 25684 4 28 1 4.703 . 32.0585690913 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4.422 . 63.2383305874 . . . . . . . . . . 2 25684 4 40 1 4.527 . 27.1825779850 . . . . . . . . . . 2 25684 4 40 2 55.311 . 98.6813240154 . . . . . . . . . . 2 25684 4 40 3 4.526 . 70.1226404641 . . . . . . . . . . 2 25684 4 41 1 2.681 . 32.2120962074 . . . . . . . . . . 2 25684 4 41 2 31.735 . 89.6280584049 . . . . . . . . . . 2 25684 4 41 3 2.680 . 116.1072767220 . . . . . . . . . . 2 25684 4 42 1 2.615 . 38.7181840471 . . . . . . . . . . 2 25684 4 42 2 31.749 . 99.3235316931 . . . . . . . . . . 2 25684 4 42 3 2.614 . 130.0116298300 . . . . . . . . . . 2 25684 4 43 1 4.577 . 21.8452529464 . . . . . . . . . . 2 25684 4 43 2 57.743 . 148.0138875660 . . . . . . . . . . 2 25684 4 43 3 3.923 . 85.0286306149 . . . . . . . . . . 2 25684 4 44 1 4.577 . 20.9353790079 . . . . . . . . . . 2 25684 4 44 2 57.743 . 112.6242357870 . . . . . . . . . . 2 25684 4 44 3 4.577 . 60.0161387919 . . . . . . . . . . 2 25684 4 45 1 3.923 . 78.9520720744 . . . . . . . . . . 2 25684 4 45 2 63.556 . 97.6471509959 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. . . . . . . 2 25684 4 80 2 58.159 . 108.1717038680 . . . . . . . . . . 2 25684 4 80 3 3.898 . 134.1168931690 . . . . . . . . . . 2 25684 4 81 1 4.464 . 31.0275291444 . . . . . . . . . . 2 25684 4 81 2 58.159 . 104.6583905540 . . . . . . . . . . 2 25684 4 81 3 4.464 . 55.7053976869 . . . . . . . . . . 2 25684 4 82 1 4.511 . 29.1483271391 . . . . . . . . . . 2 25684 4 82 2 52.218 . 109.1007994020 . . . . . . . . . . 2 25684 4 82 3 1.428 . 111.9338784580 . . . . . . . . . . 2 25684 4 83 1 4.511 . 26.8943383503 . . . . . . . . . . 2 25684 4 83 2 52.218 . 105.5496257990 . . . . . . . . . . 2 25684 4 83 3 1.383 . 156.2253350110 . . . . . . . . . . 2 25684 4 84 1 1.428 . 68.8870149584 . . . . . . . . . . 2 25684 4 84 2 42.426 . 102.6876309280 . . . . . . . . . . 2 25684 4 84 3 1.428 . 92.8657564471 . . . . . . . . . . 2 25684 4 85 1 1.384 . 72.8696889720 . . . . . . . . . . 2 25684 4 85 2 42.426 . 110.9691135410 . . . . . . . . . . 2 25684 4 85 3 1.384 . 111.6087622020 . . . . . . . . . . 2 25684 4 86 1 1.384 . 78.6992038831 . . . . . . . . . . 2 25684 4 86 2 42.426 . 106.9478244820 . . . . . . . . . . 2 25684 4 86 3 0.884 . 75.9489812731 . . . . . . . . . . 2 25684 4 87 1 1.429 . 70.0286847390 . . . . . . . . . . 2 25684 4 87 2 42.426 . 98.9404746545 . . . . . . . . . . 2 25684 4 87 3 0.884 . 69.2358134515 . . . . . . . . . . 2 25684 4 88 1 1.390 . 65.9835462614 . . . . . . . . . . 2 25684 4 88 2 42.426 . 99.1992203709 . . . . . . . . . . 2 25684 4 88 3 3.514 . 78.7661189884 . . . . . . . . . . 2 25684 4 89 1 1.423 . 66.9408329858 . . . . . . . . . . 2 25684 4 89 2 42.426 . 109.0785286440 . . . . . . . . . . 2 25684 4 89 3 3.514 . 88.8688651923 . . . . . . . . . . 2 25684 4 90 1 1.390 . 71.8950928179 . . . . . . . . . . 2 25684 4 90 2 42.426 . 107.3292618290 . . . . . . . . . . 2 25684 4 90 3 4.511 . 82.9164479477 . . . . . . . . . . 2 25684 4 91 1 1.425 . 69.2708327489 . . . . . . . . . . 2 25684 4 91 2 42.426 . 93.5327296761 . . . . . . . . . . 2 25684 4 91 3 4.511 . 74.3008671879 . . . . . . . . . . 2 25684 4 92 1 0.793 . 21.2431858242 . . . . . . . . . . 2 25684 4 92 2 23.197 . 92.4722366699 . . . . . . . . . . 2 25684 4 92 3 1.514 . 75.3980004250 . . . . . . . . . . 2 25684 4 93 1 0.793 . 21.7022620049 . . . . . . . . . . 2 25684 4 93 2 23.197 . 82.2746590183 . . . . . . . . . . 2 25684 4 93 3 1.541 . 78.3728678086 . . . . . . . . . . 2 25684 4 94 1 0.792 . 21.0572976002 . . . . . . . . . . 2 25684 4 94 2 23.197 . 91.9482664713 . . . . . . . . . . 2 25684 4 94 3 1.384 . 78.4157874462 . . . . . . . . . . 2 25684 4 95 1 0.790 . 27.0885049972 . . . . . . . . . . 2 25684 4 95 2 23.197 . 83.5307297725 . . . . . . . . . . 2 25684 4 95 3 0.792 . 63.6632350000 . . . . . . . . . . 2 25684 4 96 1 0.792 . 24.0578496206 . . . . . . . . . . 2 25684 4 96 2 23.197 . 86.7093743312 . . . . . . . . . . 2 25684 4 96 3 4.321 . 72.1130386594 . . . . . . . . . . 2 25684 4 97 1 4.318 . 40.2639913834 . . . . . . . . . . 2 25684 4 97 2 55.083 . 119.0286984190 . . . . . . . . . . 2 25684 4 97 3 4.322 . 63.4373704069 . . . . . . . . . . 2 25684 4 98 1 4.320 . 25.6465542394 . . . . . . . . . . 2 25684 4 98 2 55.083 . 99.0040475457 . . . . . . . . . . 2 25684 4 98 3 3.304 . 195.4656867100 . . . . . . . . . . 2 25684 4 99 1 4.321 . 24.3799555310 . . . . . . . . . . 2 25684 4 99 2 55.083 . 89.8114884667 . . . . . . . . . . 2 25684 4 99 3 3.241 . 165.6585348680 . . . . . . . . . . 2 25684 4 100 1 4.320 . 33.2860334367 . . . . . . . . . . 2 25684 4 100 2 55.083 . 102.4616839640 . . . . . . . . . . 2 25684 4 100 3 1.541 . 99.0386733300 . . . . . . . . . . 2 25684 4 101 1 4.320 . 24.9112797664 . . . . . . . . . . 2 25684 4 101 2 55.083 . 111.1177202360 . . . . . . . . . . 2 25684 4 101 3 1.516 . 97.0032095151 . . . . . . . . . . 2 25684 4 102 1 4.320 . 31.8199999941 . . . . . . . . . . 2 25684 4 102 2 55.083 . 117.7535962900 . . . . . . . . . . 2 25684 4 102 3 1.387 . 254.8643192150 . . . . . . . . . . 2 25684 4 103 1 4.319 . 24.2429852607 . . . . . . . . . . 2 25684 4 103 2 55.083 . 98.2334793170 . . . . . . . . . . 2 25684 4 103 3 0.875 . 152.6007716120 . . . . . . . . . . 2 25684 4 104 1 4.319 . 28.7900972014 . . . . . . . . . . 2 25684 4 104 2 55.083 . 115.4009943940 . . . . . . . . . . 2 25684 4 104 3 0.795 . 115.3749604050 . . . . . . . . . . 2 25684 4 105 1 1.388 . 35.2796281952 . . . . . . . . . . 2 25684 4 105 2 26.481 . 107.4041725610 . . . . . . . . . . 2 25684 4 105 3 1.388 . 62.1814345106 . . . . . . . . . . 2 25684 4 106 1 1.388 . 34.9499964458 . . . . . . . . . . 2 25684 4 106 2 26.481 . 81.8745952190 . . . . . . . . . . 2 25684 4 106 3 0.876 . 143.1219696410 . . . . . . . . . . 2 25684 4 107 1 1.388 . 38.1228901800 . . . . . . . . . . 2 25684 4 107 2 26.481 . 95.5982412549 . . . . . . . . . . 2 25684 4 107 3 0.796 . 136.4173857470 . . . . . . . . . . 2 25684 4 108 1 1.389 . 35.2051223888 . . . . . . . . . . 2 25684 4 108 2 26.481 . 125.2215888500 . . . . . . . . . . 2 25684 4 108 3 4.322 . 64.5441605625 . . . . . . . . . . 2 25684 4 109 1 3.224 . 72.3556741664 . . . . . . . . . . 2 25684 4 109 2 29.550 . 140.3284514230 . . . . . . . . . . 2 25684 4 109 3 4.567 . 75.6329854410 . . . . . . . . . . 2 25684 4 110 1 3.265 . 75.8845400866 . . . . . . . . . . 2 25684 4 110 2 29.550 . 144.0229677220 . . . . . . . . . . 2 25684 4 110 3 4.567 . 75.7923245957 . . . . . . . . . . 2 25684 4 111 1 3.224 . 76.8139812066 . . . . . . . . . . 2 25684 4 111 2 29.550 . 142.5830619830 . . . . . . . . . . 2 25684 4 111 3 3.224 . 85.6541843334 . . . . . . . . . . 2 25684 4 112 1 3.266 . 65.5575837725 . . . . . . . . . . 2 25684 4 112 2 29.550 . 142.9264365800 . . . . . . . . . . 2 25684 4 112 3 3.265 . 112.2831370090 . . . . . . . . . . 2 25684 4 113 1 3.265 . 40.0615463136 . . . . . . . . . . 2 25684 4 113 2 29.550 . 157.9425964290 . . . . . . . . . . 2 25684 4 113 3 0.884 . 70.7884313429 . . . . . . . . . . 2 25684 4 114 1 0.876 . 27.8839861825 . . . . . . . . . . 2 25684 4 114 2 24.614 . 91.9344990936 . . . . . . . . . . 2 25684 4 114 3 1.387 . 74.5691149231 . . . . . . . . . . 2 25684 4 115 1 0.876 . 22.2373491598 . . . . . . . . . . 2 25684 4 115 2 24.614 . 86.4332169313 . . . . . . . . . . 2 25684 4 115 3 1.503 . 97.1078261319 . . . . . . . . . . 2 25684 4 116 1 0.876 . 22.7701785630 . . . . . . . . . . 2 25684 4 116 2 24.614 . 82.4787401466 . . . . . . . . . . 2 25684 4 116 3 1.541 . 91.2637809723 . . . . . . . . . . 2 25684 4 117 1 0.875 . 27.4474875188 . . . . . . . . . . 2 25684 4 117 2 24.614 . 106.8802023620 . . . . . . . . . . 2 25684 4 117 3 0.877 . 66.0694171849 . . . . . . . . . . 2 25684 4 118 1 0.876 . 20.6185411849 . . . . . . . . . . 2 25684 4 118 2 24.614 . 83.4764701074 . . . . . . . . . . 2 25684 4 118 3 4.316 . 71.3351202273 . . . . . . . . . . 2 25684 4 119 1 1.933 . 32.4506653046 . . . . . . . . . . 2 25684 4 119 2 26.906 . 96.0226004266 . . . . . . . . . . 2 25684 4 119 3 3.514 . 89.0298138334 . . . . . . . . . . 2 25684 4 120 1 1.933 . 32.4687273183 . . . . . . . . . . 2 25684 4 120 2 26.906 . 89.2822542707 . . . . . . . . . . 2 25684 4 120 3 4.235 . 82.0086976117 . . . . . . . . . . 2 25684 4 121 1 1.933 . 36.4867727753 . . . . . . . . . . 2 25684 4 121 2 26.906 . 108.7282703580 . . . . . . . . . . 2 25684 4 121 3 1.933 . 73.1951500233 . . . . . . . . . . 2 25684 4 122 1 1.933 . 27.2247226836 . . . . . . . . . . 2 25684 4 122 2 26.906 . 103.8295134320 . . . . . . . . . . 2 25684 4 122 3 0.884 . 67.5168819642 . . . . . . . . . . 2 25684 4 123 1 1.933 . 31.2472836440 . . . . . . . . . . 2 25684 4 123 2 26.906 . 104.6239721100 . . . . . . . . . . 2 25684 4 123 3 4.511 . 73.3754125014 . . . . . . . . . . 2 25684 4 124 1 4.235 . 26.5014895530 . . . . . . . . . . 2 25684 4 124 2 62.850 . 122.3852053500 . . . . . . . . . . 2 25684 4 124 3 1.933 . 75.8443646564 . . . . . . . . . . 2 25684 4 125 1 4.235 . 26.6663054277 . . . . . . . . . . 2 25684 4 125 2 62.850 . 123.7344083660 . . . . . . . . . . 2 25684 4 125 3 2.155 . 75.5707519664 . . . . . . . . . . 2 25684 4 126 1 1.933 . 32.7419152750 . . . . . . . . . . 2 25684 4 126 2 26.906 . 90.3787854128 . . . . . . . . . . 2 25684 4 126 3 2.155 . 108.6575006200 . . . . . . . . . . 2 25684 4 127 1 4.235 . 26.7167285492 . . . . . . . . . . 2 25684 4 127 2 62.850 . 124.4947522920 . . . . . . . . . . 2 25684 4 127 3 1.717 . 77.9206021270 . . . . . . . . . . 2 25684 4 128 1 1.933 . 31.6070187496 . . . . . . . . . . 2 25684 4 128 2 26.906 . 89.4158788191 . . . . . . . . . . 2 25684 4 128 3 1.717 . 84.2786099472 . . . . . . . . . . 2 25684 4 129 1 4.235 . 31.2698611611 . . . . . . . . . . 2 25684 4 129 2 62.850 . 125.6623473980 . . . . . . . . . . 2 25684 4 129 3 3.514 . 93.0985954812 . . . . . . . . . . 2 25684 4 130 1 4.235 . 27.0448551308 . . . . . . . . . . 2 25684 4 130 2 62.850 . 389.6552567600 . . . . . . . . . . 2 25684 4 130 3 4.235 . 66.9573171885 . . . . . . . . . . 2 25684 4 131 1 2.155 . 33.3266729675 . . . . . . . . . . 2 25684 4 131 2 31.533 . 117.4535484410 . . . . . . . . . . 2 25684 4 131 3 1.719 . 77.3186542091 . . . . . . . . . . 2 25684 4 132 1 2.155 . 37.7804645042 . . . . . . . . . . 2 25684 4 132 2 31.533 . 125.1608504190 . . . . . . . . . . 2 25684 4 132 3 1.933 . 77.0584539060 . . . . . . . . . . 2 25684 4 133 1 2.155 . 39.0884553273 . . . . . . . . . . 2 25684 4 133 2 31.533 . 126.9627572070 . . . . . . . . . . 2 25684 4 133 3 2.155 . 67.3033567669 . . . . . . . . . . 2 25684 4 134 1 2.155 . 33.2468990738 . . . . . . . . . . 2 25684 4 134 2 31.533 . 105.6103642300 . . . . . . . . . . 2 25684 4 134 3 3.514 . 83.9035996133 . . . . . . . . . . 2 25684 4 135 1 2.155 . 34.3464241558 . . . . . . . . . . 2 25684 4 135 2 31.533 . 116.0630432920 . . . . . . . . . . 2 25684 4 135 3 4.235 . 72.4451293556 . . . . . . . . . . 2 25684 4 136 1 1.715 . 36.3490499211 . . . . . . . . . . 2 25684 4 136 2 31.533 . 100.0070415040 . . . . . . . . . . 2 25684 4 136 3 4.235 . 78.7757759069 . . . . . . . . . . 2 25684 4 137 1 1.715 . 36.2203580737 . . . . . . . . . . 2 25684 4 137 2 31.533 . 86.7919785974 . . . . . . . . . . 2 25684 4 137 3 3.514 . 107.7062941500 . . . . . . . . . . 2 25684 4 138 1 1.714 . 32.7840599736 . . . . . . . . . . 2 25684 4 138 2 31.533 . 97.1158921856 . . . . . . . . . . 2 25684 4 138 3 2.155 . 75.8212953511 . . . . . . . . . . 2 25684 4 139 1 1.714 . 35.0004195673 . . . . . . . . . . 2 25684 4 139 2 31.533 . 92.5556507818 . . . . . . . . . . 2 25684 4 139 3 1.933 . 80.6980391775 . . . . . . . . . . 2 25684 4 140 1 1.714 . 34.3419086523 . . . . . . . . . . 2 25684 4 140 2 31.533 . 103.1743482220 . . . . . . . . . . 2 25684 4 140 3 1.714 . 72.1629327382 . . . . . . . . . . 2 25684 4 141 1 4.235 . 29.1964925089 . . . . . . . . . . 2 25684 4 141 2 62.850 . 99.0850321205 . . . . . . . . . . 2 25684 4 141 3 1.240 . 70.7074205269 . . . . . . . . . . 2 25684 4 142 1 3.545 . 60.4768898447 . . . . . . . . . . 2 25684 4 142 2 49.991 . 85.1577098791 . . . . . . . . . . 2 25684 4 142 3 4.511 . 74.0240355252 . . . . . . . . . . 2 25684 4 143 1 3.514 . 62.9333237034 . . . . . . . . . . 2 25684 4 143 2 49.991 . 82.9035042411 . . . . . . . . . . 2 25684 4 143 3 4.511 . 76.3647652627 . . . . . . . . . . 2 25684 4 144 1 3.545 . 59.5700262418 . . . . . . . . . . 2 25684 4 144 2 49.990 . 94.3680855646 . . . . . . . . . . 2 25684 4 144 3 4.244 . 77.9517188643 . . . . . . . . . . 2 25684 4 145 1 3.545 . 62.7707655804 . . . . . . . . . . 2 25684 4 145 2 49.991 . 111.7850331320 . . . . . . . . . . 2 25684 4 145 3 3.545 . 70.6923986537 . . . . . . . . . . 2 25684 4 146 1 3.514 . 54.2703303983 . . . . . . . . . . 2 25684 4 146 2 49.990 . 70.6335313219 . . . . . . . . . . 2 25684 4 146 3 4.242 . 93.5057955433 . . . . . . . . . . 2 25684 4 147 1 3.514 . 61.7735919092 . . . . . . . . . . 2 25684 4 147 2 49.991 . 85.6330893328 . . . . . . . . . . 2 25684 4 147 3 3.514 . 77.9742516740 . . . . . . . . . . 2 25684 4 148 1 2.155 . 33.7293053555 . . . . . . . . . . 2 25684 4 148 2 31.533 . 110.3439126240 . . . . . . . . . . 2 25684 4 148 3 3.545 . 87.5067031928 . . . . . . . . . . 2 25684 4 149 1 1.933 . 32.6403164481 . . . . . . . . . . 2 25684 4 149 2 26.906 . 95.9902065967 . . . . . . . . . . 2 25684 4 149 3 3.545 . 91.8099333612 . . . . . . . . . . 2 25684 4 150 1 4.235 . 31.2698611611 . . . . . . . . . . 2 25684 4 150 2 62.850 . 125.6623473980 . . . . . . . . . . 2 25684 4 150 3 3.545 . 93.0985954812 . . . . . . . . . . 2 25684 4 151 1 3.544 . 56.8230949966 . . . . . . . . . . 2 25684 4 151 2 49.991 . 79.7965310311 . . . . . . . . . . 2 25684 4 151 3 2.155 . 74.3609546806 . . . . . . . . . . 2 25684 4 152 1 3.544 . 61.6900550960 . . . . . . . . . . 2 25684 4 152 2 49.991 . 90.6735692648 . . . . . . . . . . 2 25684 4 152 3 1.933 . 76.9994394042 . . . . . . . . . . 2 25684 4 153 1 3.544 . 61.7186532843 . . . . . . . . . . 2 25684 4 153 2 49.991 . 82.8512691904 . . . . . . . . . . 2 25684 4 153 3 1.722 . 76.7826952342 . . . . . . . . . . 2 25684 4 154 1 3.546 . 64.3286142592 . . . . . . . . . . 2 25684 4 154 2 49.991 . 86.0975358690 . . . . . . . . . . 2 25684 4 154 3 1.423 . 101.0306810120 . . . . . . . . . . 2 25684 4 155 1 3.546 . 61.8616442258 . . . . . . . . . . 2 25684 4 155 2 49.991 . 84.4770345284 . . . . . . . . . . 2 25684 4 155 3 0.884 . 68.6086502465 . . . . . . . . . . 2 25684 4 156 1 3.514 . 61.7269317072 . . . . . . . . . . 2 25684 4 156 2 49.991 . 79.8560546936 . . . . . . . . . . 2 25684 4 156 3 0.884 . 75.3717121469 . . . . . . . . . . 2 25684 4 157 1 3.514 . 61.4499808310 . . . . . . . . . . 2 25684 4 157 2 49.991 . 80.5889650950 . . . . . . . . . . 2 25684 4 157 3 1.421 . 100.9829329150 . . . . . . . . . . 2 25684 4 158 1 3.514 . 61.6223225447 . . . . . . . . . . 2 25684 4 158 2 49.991 . 83.9729055506 . . . . . . . . . . 2 25684 4 158 3 1.724 . 65.6305638901 . . . . . . . . . . 2 25684 4 159 1 3.514 . 62.1295640952 . . . . . . . . . . 2 25684 4 159 2 49.991 . 83.6335801824 . . . . . . . . . . 2 25684 4 159 3 1.933 . 77.3814241792 . . . . . . . . . . 2 25684 4 160 1 3.514 . 56.3534826413 . . . . . . . . . . 2 25684 4 160 2 49.991 . 75.0010294378 . . . . . . . . . . 2 25684 4 160 3 2.155 . 71.8249405918 . . . . . . . . . . 2 25684 4 161 1 4.281 . 24.6764735887 . . . . . . . . . . 2 25684 4 161 2 61.974 . 153.6619542700 . . . . . . . . . . 2 25684 4 161 3 1.240 . 67.9240820262 . . . . . . . . . . 2 25684 4 162 1 4.282 . 23.5581339092 . . . . . . . . . . 2 25684 4 162 2 61.974 . 110.8024877790 . . . . . . . . . . 2 25684 4 162 3 0.884 . 71.8179661507 . . . . . . . . . . 2 25684 4 163 1 4.280 . 34.1816082810 . . . . . . . . . . 2 25684 4 163 2 61.974 . 171.5067028530 . . . . . . . . . . 2 25684 4 163 3 4.279 . 63.3021735484 . . . . . . . . . . 2 25684 4 164 1 4.703 . 28.7998807922 . . . . . . . . . . 2 25684 4 164 2 57.041 . 106.6574947820 . . . . . . . . . . 2 25684 4 164 3 4.703 . 61.9174787392 . . . . . . . . . . 2 25684 4 165 1 2.312 . 33.0271445742 . . . . . . . . . . 2 25684 4 165 2 31.879 . 91.9442172425 . . . . . . . . . . 2 25684 4 165 3 4.321 . 73.7370104485 . . . . . . . . . . 2 25684 4 166 1 1.994 . 40.7110262217 . . . . . . . . . . 2 25684 4 166 2 31.879 . 124.2141407400 . . . . . . . . . . 2 25684 4 166 3 4.321 . 77.1099574711 . . . . . . . . . . 2 25684 4 167 1 2.311 . 29.6653522804 . . . . . . . . . . 2 25684 4 167 2 31.879 . 72.4463710275 . . . . . . . . . . 2 25684 4 167 3 3.689 . 95.4747339198 . . . . . . . . . . 2 25684 4 168 1 2.311 . 37.8421763842 . . . . . . . . . . 2 25684 4 168 2 31.879 . 99.1769496128 . . . . . . . . . . 2 25684 4 168 3 3.440 . 82.6567841400 . . . . . . . . . . 2 25684 4 169 1 2.312 . 34.3968472772 . . . . . . . . . . 2 25684 4 169 2 31.879 . 100.7010793090 . . . . . . . . . . 2 25684 4 169 3 2.313 . 66.9787770073 . . . . . . . . . . 2 25684 4 170 1 2.311 . 33.3936529348 . . . . . . . . . . 2 25684 4 170 2 31.879 . 90.8128627334 . . . . . . . . . . 2 25684 4 170 3 1.998 . 81.3037425636 . . . . . . . . . . 2 25684 4 171 1 1.991 . 42.4306804396 . . . . . . . . . . 2 25684 4 171 2 31.879 . 118.4350814870 . . . . . . . . . . 2 25684 4 171 3 1.991 . 68.8371973169 . . . . . . . . . . 2 25684 4 172 1 1.991 . 34.7761495642 . . . . . . . . . . 2 25684 4 172 2 31.879 . 105.3860369580 . . . . . . . . . . 2 25684 4 172 3 2.313 . 76.5761444781 . . . . . . . . . . 2 25684 4 173 1 1.992 . 37.2416144298 . . . . . . . . . . 2 25684 4 173 2 31.879 . 100.9075899750 . . . . . . . . . . 2 25684 4 173 3 3.440 . 73.9194189084 . . . . . . . . . . 2 25684 4 174 1 1.992 . 36.9782100638 . . . . . . . . . . 2 25684 4 174 2 31.879 . 96.8777975359 . . . . . . . . . . 2 25684 4 174 3 3.689 . 84.9889299501 . . . . . . . . . . 2 25684 4 175 1 2.722 . 30.6497320252 . . . . . . . . . . 2 25684 4 175 2 27.389 . 89.4984830853 . . . . . . . . . . 2 25684 4 175 3 4.664 . 70.0341187115 . . . . . . . . . . 2 25684 4 176 1 4.664 . 28.5793737086 . . . . . . . . . . 2 25684 4 176 2 55.616 . 131.1387268040 . . . . . . . . . . 2 25684 4 176 3 4.664 . 64.9368752468 . . . . . . . . . . 2 25684 4 177 1 2.808 . 30.1597999045 . . . . . . . . . . 2 25684 4 177 2 27.389 . 89.8953075015 . . . . . . . . . . 2 25684 4 177 3 4.664 . 72.0749474810 . . . . . . . . . . 2 25684 4 178 1 4.664 . 22.6941675888 . . . . . . . . . . 2 25684 4 178 2 55.616 . 110.6678509230 . . . . . . . . . . 2 25684 4 178 3 3.689 . 80.0445876945 . . . . . . . . . . 2 25684 4 179 1 4.664 . 22.2576689252 . . . . . . . . . . 2 25684 4 179 2 55.616 . 106.9919610750 . . . . . . . . . . 2 25684 4 179 3 3.440 . 82.8354371317 . . . . . . . . . . 2 25684 4 180 1 4.664 . 24.1684794544 . . . . . . . . . . 2 25684 4 180 2 55.616 . 119.0718227060 . . . . . . . . . . 2 25684 4 180 3 2.808 . 154.5262538560 . . . . . . . . . . 2 25684 4 181 1 4.664 . 24.6538960717 . . . . . . . . . . 2 25684 4 181 2 55.616 . 122.8205986700 . . . . . . . . . . 2 25684 4 181 3 2.722 . 148.8951973980 . . . . . . . . . . 2 25684 4 182 1 4.664 . 22.1440287558 . . . . . . . . . . 2 25684 4 182 2 55.616 . 102.7943281050 . . . . . . . . . . 2 25684 4 182 3 1.993 . 105.8580672550 . . . . . . . . . . 2 25684 4 183 1 2.722 . 32.3069217792 . . . . . . . . . . 2 25684 4 183 2 27.389 . 87.1726060987 . . . . . . . . . . 2 25684 4 183 3 3.689 . 74.0197435614 . . . . . . . . . . 2 25684 4 184 1 4.664 . 16.9271171417 . . . . . . . . . . 2 25684 4 184 2 55.616 . 78.0237786900 . . . . . . . . . . 2 25684 4 184 3 4.324 . 203.3489511530 . . . . . . . . . . 2 25684 4 185 1 2.808 . 28.4672387071 . . . . . . . . . . 2 25684 4 185 2 27.389 . 85.8476984559 . . . . . . . . . . 2 25684 4 185 3 3.691 . 74.8432641085 . . . . . . . . . . 2 25684 4 186 1 4.343 . 35.3706908475 . . . . . . . . . . 2 25684 4 186 2 69.340 . 113.5968605300 . . . . . . . . . . 2 25684 4 186 3 4.342 . 63.1498088348 . . . . . . . . . . 2 25684 4 187 1 4.448 . 19.7538222806 . . . . . . . . . . 2 25684 4 187 2 61.583 . 110.4678190230 . . . . . . . . . . 2 25684 4 187 3 1.257 . 66.7915400881 . . . . . . . . . . 2 25684 4 188 1 4.511 . 32.4137886934 . . . . . . . . . . 2 25684 4 188 2 52.218 . 97.8617601190 . . . . . . . . . . 2 25684 4 188 3 1.519 . 188.6430738120 . . . . . . . . . . 2 25684 4 189 1 4.447 . 18.5203372639 . . . . . . . . . . 2 25684 4 189 2 61.583 . 109.6099899150 . . . . . . . . . . 2 25684 4 189 3 4.447 . 64.5119708342 . . . . . . . . . . 2 25684 4 190 1 4.511 . 28.3039280002 . . . . . . . . . . 2 25684 4 190 2 52.218 . 96.8312314054 . . . . . . . . . . 2 25684 4 190 3 0.850 . 95.2896429825 . . . . . . . . . . 2 25684 4 191 1 4.584 . 29.8933852029 . . . . . . . . . . 2 25684 4 191 2 58.031 . 94.3921784756 . . . . . . . . . . 2 25684 4 191 3 3.943 . 113.9076452930 . . . . . . . . . . 2 25684 4 192 1 4.584 . 31.9012790556 . . . . . . . . . . 2 25684 4 192 2 58.031 . 136.8598820860 . . . . . . . . . . 2 25684 4 192 3 4.584 . 58.8471151618 . . . . . . . . . . 2 25684 4 193 1 4.348 . 34.5112400305 . . . . . . . . . . 2 25684 4 193 2 69.128 . 123.5385775410 . . . . . . . . . . 2 25684 4 193 3 1.257 . 68.3924425719 . . . . . . . . . . 2 25684 4 194 1 4.347 . 30.8371254170 . . . . . . . . . . 2 25684 4 194 2 69.128 . 130.3624010780 . . . . . . . . . . 2 25684 4 194 3 4.346 . 65.8634029243 . . . . . . . . . . 2 25684 4 195 1 1.255 . 49.9602823870 . . . . . . . . . . 2 25684 4 195 2 21.121 . 125.3916564570 . . . . . . . . . . 2 25684 4 195 3 1.255 . 59.9061572205 . . . . . . . . . . 2 25684 4 196 1 4.732 . 21.9566353640 . . . . . . . . . . 2 25684 4 196 2 55.490 . 85.4638315716 . . . . . . . . . . 2 25684 4 196 3 3.171 . 149.5786926270 . . . . . . . . . . 2 25684 4 197 1 4.732 . 21.3673621682 . . . . . . . . . . 2 25684 4 197 2 55.490 . 90.9853598776 . . . . . . . . . . 2 25684 4 197 3 3.250 . 140.7039845550 . . . . . . . . . . 2 25684 4 198 1 4.733 . 24.3475944232 . . . . . . . . . . 2 25684 4 198 2 55.490 . 105.8205192020 . . . . . . . . . . 2 25684 4 198 3 4.732 . 64.0291249108 . . . . . . . . . . 2 25684 4 199 1 4.375 . 30.6143605818 . . . . . . . . . . 2 25684 4 199 2 54.804 . 123.8128621720 . . . . . . . . . . 2 25684 4 199 3 4.375 . 61.9528874402 . . . . . . . . . . 2 25684 4 200 1 4.375 . 27.9547290693 . . . . . . . . . . 2 25684 4 200 2 54.804 . 120.0041576220 . . . . . . . . . . 2 25684 4 200 3 1.617 . 119.7747597580 . . . . . . . . . . 2 25684 4 201 1 4.374 . 29.5855783867 . . . . . . . . . . 2 25684 4 201 2 54.804 . 105.6549057460 . . . . . . . . . . 2 25684 4 201 3 0.905 . 71.6119518901 . . . . . . . . . . 2 25684 4 202 1 4.374 . 29.1265022060 . . . . . . . . . . 2 25684 4 202 2 54.804 . 104.4615980380 . . . . . . . . . . 2 25684 4 202 3 0.958 . 77.3358220642 . . . . . . . . . . 2 25684 4 203 1 4.375 . 27.3564248666 . . . . . . . . . . 2 25684 4 203 2 54.804 . 117.6013452900 . . . . . . . . . . 2 25684 4 203 3 1.676 . 119.9974053780 . . . . . . . . . . 2 25684 4 204 1 4.375 . 93.5853134803 . . . . . . . . . . 2 25684 4 204 2 54.804 . 113.2658360810 . . . . . . . . . . 2 25684 4 204 3 1.542 . 215.4871611710 . . . . . . . . . . 2 25684 4 205 1 1.617 . 40.1985165839 . . . . . . . . . . 2 25684 4 205 2 42.013 . 102.8690363750 . . . . . . . . . . 2 25684 4 205 3 0.957 . 103.3156152200 . . . . . . . . . . 2 25684 4 206 1 1.617 . 130.8096184800 . . . . . . . . . . 2 25684 4 206 2 42.013 . 90.3974118649 . . . . . . . . . . 2 25684 4 206 3 0.884 . 125.1960464870 . . . . . . . . . . 2 25684 4 207 1 1.617 . 41.9693465072 . . . . . . . . . . 2 25684 4 207 2 42.013 . 103.6452735240 . . . . . . . . . . 2 25684 4 207 3 1.617 . 102.1412266360 . . . . . . . . . . 2 25684 4 208 1 1.617 . 38.5721827699 . . . . . . . . . . 2 25684 4 208 2 42.013 . 98.5614668448 . . . . . . . . . . 2 25684 4 208 3 4.375 . 69.8136190731 . . . . . . . . . . 2 25684 4 209 1 1.676 . 31.0636531718 . . . . . . . . . . 2 25684 4 209 2 42.013 . 93.6242422456 . . . . . . . . . . 2 25684 4 209 3 4.375 . 65.3161775444 . . . . . . . . . . 2 25684 4 210 1 1.676 . 34.7708814769 . . . . . . . . . . 2 25684 4 210 2 42.013 . 101.7963956830 . . . . . . . . . . 2 25684 4 210 3 1.676 . 103.5570381820 . . . . . . . . . . 2 25684 4 211 1 1.676 . 34.8310881892 . . . . . . . . . . 2 25684 4 211 2 42.013 . 100.4277563700 . . . . . . . . . . 2 25684 4 211 3 0.957 . 102.8858823490 . . . . . . . . . . 2 25684 4 212 1 1.676 . 33.6871606569 . . . . . . . . . . 2 25684 4 212 2 42.013 . 89.9248668713 . . . . . . . . . . 2 25684 4 212 3 0.884 . 114.1624806420 . . . . . . . . . . 2 25684 4 213 1 1.518 . 54.3990222457 . . . . . . . . . . 2 25684 4 213 2 26.595 . 131.2687070460 . . . . . . . . . . 2 25684 4 213 3 0.884 . 83.9942673479 . . . . . . . . . . 2 25684 4 214 1 1.517 . 36.9149930160 . . . . . . . . . . 2 25684 4 214 2 26.595 . 81.2016134029 . . . . . . . . . . 2 25684 4 214 3 0.957 . 146.9144561210 . . . . . . . . . . 2 25684 4 215 1 1.518 . 41.7480868397 . . . . . . . . . . 2 25684 4 215 2 26.595 . 114.6166587870 . . . . . . . . . . 2 25684 4 215 3 1.518 . 71.7895318908 . . . . . . . . . . 2 25684 4 216 1 4.350 . 34.7151902681 . . . . . . . . . . 2 25684 4 216 2 56.073 . 107.5390118780 . . . . . . . . . . 2 25684 4 216 3 4.350 . 57.4989020446 . . . . . . . . . . 2 25684 4 217 1 4.349 . 50.3147494053 . . . . . . . . . . 2 25684 4 217 2 56.073 . 81.4042773012 . . . . . . . . . . 2 25684 4 217 3 2.140 . 69.7170498885 . . . . . . . . . . 2 25684 4 218 1 4.349 . 34.6685300661 . . . . . . . . . . 2 25684 4 218 2 56.073 . 76.0483624506 . . . . . . . . . . 2 25684 4 218 3 2.012 . 59.2924064023 . . . . . . . . . . 2 25684 4 219 1 4.350 . 22.6836314141 . . . . . . . . . . 2 25684 4 219 2 56.073 . 106.0335086330 . . . . . . . . . . 2 25684 4 219 3 1.897 . 144.1515044480 . . . . . . . . . . 2 25684 4 220 1 4.350 . 25.2582209456 . . . . . . . . . . 2 25684 4 220 2 56.073 . 110.7263622780 . . . . . . . . . . 2 25684 4 220 3 1.816 . 147.7277832540 . . . . . . . . . . 2 25684 4 221 1 4.350 . 23.5724330033 . . . . . . . . . . 2 25684 4 221 2 56.073 . 86.0568411202 . . . . . . . . . . 2 25684 4 221 3 1.493 . 69.1746529678 . . . . . . . . . . 2 25684 4 222 1 4.350 . 20.4672718204 . . . . . . . . . . 2 25684 4 222 2 56.073 . 90.8835217748 . . . . . . . . . . 2 25684 4 222 3 1.477 . 64.8698133130 . . . . . . . . . . 2 25684 4 223 1 4.303 . 19.6198623459 . . . . . . . . . . 2 25684 4 223 2 56.436 . 87.5925111187 . . . . . . . . . . 2 25684 4 223 3 2.140 . 61.5709026653 . . . . . . . . . . 2 25684 4 224 1 4.303 . 20.6877789039 . . . . . . . . . . 2 25684 4 224 2 56.436 . 99.9544015303 . . . . . . . . . . 2 25684 4 224 3 2.013 . 56.0911379302 . . . . . . . . . . 2 25684 4 225 1 2.140 . 32.8277098399 . . . . . . . . . . 2 25684 4 225 2 29.862 . 153.3345741260 . . . . . . . . . . 2 25684 4 225 3 2.140 . 57.9302444028 . . . . . . . . . . 2 25684 4 226 1 2.140 . 37.1648508717 . . . . . . . . . . 2 25684 4 226 2 29.862 . 142.6494693350 . . . . . . . . . . 2 25684 4 226 3 4.303 . 72.6956727403 . . . . . . . . . . 2 25684 4 227 1 2.015 . 33.7917698194 . . . . . . . . . . 2 25684 4 227 2 29.862 . 162.3441080660 . . . . . . . . . . 2 25684 4 227 3 2.015 . 61.0531845363 . . . . . . . . . . 2 25684 4 228 1 1.896 . 31.3105006919 . . . . . . . . . . 2 25684 4 228 2 32.724 . 81.2421056903 . . . . . . . . . . 2 25684 4 228 3 4.351 . 62.8273750570 . . . . . . . . . . 2 25684 4 229 1 1.813 . 30.3915957466 . . . . . . . . . . 2 25684 4 229 2 32.724 . 78.4368000212 . . . . . . . . . . 2 25684 4 229 3 4.351 . 75.2633400619 . . . . . . . . . . 2 25684 4 230 1 1.895 . 49.2904827135 . . . . . . . . . . 2 25684 4 230 2 32.724 . 111.5870258460 . . . . . . . . . . 2 25684 4 230 3 1.895 . 119.3466363730 . . . . . . . . . . 2 25684 4 231 1 1.895 . 30.6422061862 . . . . . . . . . . 2 25684 4 231 2 32.724 . 100.4751323460 . . . . . . . . . . 2 25684 4 231 3 1.811 . 146.0893260880 . . . . . . . . . . 2 25684 4 232 1 1.895 . 31.5340181110 . . . . . . . . . . 2 25684 4 232 2 32.724 . 78.7340134105 . . . . . . . . . . 2 25684 4 232 3 1.494 . 70.8807085638 . . . . . . . . . . 2 25684 4 233 1 1.813 . 28.3250003495 . . . . . . . . . . 2 25684 4 233 2 32.724 . 92.2884016852 . . . . . . . . . . 2 25684 4 233 3 1.894 . 157.0826547730 . . . . . . . . . . 2 25684 4 234 1 1.813 . 36.0367276014 . . . . . . . . . . 2 25684 4 234 2 32.724 . 98.0998547687 . . . . . . . . . . 2 25684 4 234 3 1.813 . 91.6935138442 . . . . . . . . . . 2 25684 4 235 1 1.814 . 39.1403836166 . . . . . . . . . . 2 25684 4 235 2 32.724 . 115.2224234070 . . . . . . . . . . 2 25684 4 235 3 1.494 . 83.9170120001 . . . . . . . . . . 2 25684 4 236 1 4.303 . 23.3978335379 . . . . . . . . . . 2 25684 4 236 2 56.436 . 103.3498822880 . . . . . . . . . . 2 25684 4 236 3 4.303 . 55.0127820346 . . . . . . . . . . 2 25684 4 237 1 2.358 . 48.1668749467 . . . . . . . . . . 2 25684 4 237 2 35.916 . 108.1087383610 . . . . . . . . . . 2 25684 4 237 3 4.303 . 119.8112414500 . . . . . . . . . . 2 25684 4 238 1 2.358 . 37.2641919469 . . . . . . . . . . 2 25684 4 238 2 35.916 . 112.1668754020 . . . . . . . . . . 2 25684 4 238 3 2.358 . 76.3679842355 . . . . . . . . . . 2 25684 4 239 1 4.237 . 23.2315124954 . . . . . . . . . . 2 25684 4 239 2 57.186 . 97.5874248720 . . . . . . . . . . 2 25684 4 239 3 4.237 . 56.5707648807 . . . . . . . . . . 2 25684 4 240 1 4.567 . 25.3598197725 . . . . . . . . . . 2 25684 4 240 2 57.311 . 79.5424419279 . . . . . . . . . . 2 25684 4 240 3 0.850 . 120.4630834470 . . . . . . . . . . 2 25684 4 241 1 4.355 . 29.3011016714 . . . . . . . . . . 2 25684 4 241 2 52.290 . 169.2326559940 . . . . . . . . . . 2 25684 4 241 3 1.465 . 60.4083169808 . . . . . . . . . . 2 25684 4 242 1 4.356 . 26.3464572690 . . . . . . . . . . 2 25684 4 242 2 52.290 . 169.4747998720 . . . . . . . . . . 2 25684 4 242 3 4.356 . 59.8240734135 . . . . . . . . . . 2 25684 4 243 1 4.303 . 15.7613646762 . . . . . . . . . . 2 25684 4 243 2 56.436 . 90.3860740245 . . . . . . . . . . 2 25684 4 243 3 2.358 . 82.2216863135 . . . . . . . . . . 2 25684 4 244 1 0.884 . 19.3346330467 . . . . . . . . . . 2 25684 4 244 2 23.577 . 141.6509295280 . . . . . . . . . . 2 25684 4 244 3 4.511 . 92.2235713690 . . . . . . . . . . 2 25684 4 245 1 4.511 . 27.9246257132 . . . . . . . . . . 2 25684 4 245 2 52.218 . 105.8982643940 . . . . . . . . . . 2 25684 4 245 3 3.529 . 83.7941545374 . . . . . . . . . . 2 25684 4 246 1 0.966 . 13.7143364606 . . . . . . . . . . 2 25684 4 246 2 24.638 . 65.8072555901 . . . . . . . . . . 2 25684 4 246 3 1.671 . 77.5010626691 . . . . . . . . . . 2 25684 4 247 1 0.965 . 16.9654989207 . . . . . . . . . . 2 25684 4 247 2 24.638 . 49.0782719855 . . . . . . . . . . 2 25684 4 247 3 1.530 . 70.4590231241 . . . . . . . . . . 2 25684 4 248 1 0.965 . 20.9203273299 . . . . . . . . . . 2 25684 4 248 2 24.638 . 86.0695961907 . . . . . . . . . . 2 25684 4 248 3 0.965 . 62.7742620055 . . . . . . . . . . 2 25684 4 249 1 1.744 . 34.3991050289 . . . . . . . . . . 2 25684 4 249 2 28.715 . 95.2678241900 . . . . . . . . . . 2 25684 4 249 3 1.745 . 61.8885079838 . . . . . . . . . . 2 25684 4 250 1 1.744 . 36.9006939218 . . . . . . . . . . 2 25684 4 250 2 28.715 . 96.4704451249 . . . . . . . . . . 2 25684 4 250 3 3.049 . 62.4384158410 . . . . . . . . . . 2 25684 4 251 1 4.457 . 20.3190127916 . . . . . . . . . . 2 25684 4 251 2 58.159 . 61.4405673200 . . . . . . . . . . 2 25684 4 251 3 2.769 . 171.2563286060 . . . . . . . . . . 2 25684 4 252 1 4.457 . 18.3630472282 . . . . . . . . . . 2 25684 4 252 2 58.159 . 56.2575545365 . . . . . . . . . . 2 25684 4 252 3 2.787 . 159.5280011270 . . . . . . . . . . 2 25684 4 253 1 1.541 . 44.3196660356 . . . . . . . . . . 2 25684 4 253 2 41.901 . 103.1666546870 . . . . . . . . . . 2 25684 4 253 3 4.322 . 73.4526678491 . . . . . . . . . . 2 25684 4 254 1 4.567 . 27.1133402660 . . . . . . . . . . 2 25684 4 254 2 57.300 . 133.4020432060 . . . . . . . . . . 2 25684 4 254 3 3.225 . 96.0772183331 . . . . . . . . . . 2 25684 4 255 1 1.717 . 36.2203580737 . . . . . . . . . . 2 25684 4 255 2 31.531 . 86.7919785974 . . . . . . . . . . 2 25684 4 255 3 3.546 . 107.7062941500 . . . . . . . . . . 2 25684 4 256 1 0.904 . 27.8102329600 . . . . . . . . . . 2 25684 4 256 2 23.205 . 90.4460026098 . . . . . . . . . . 2 25684 4 256 3 0.904 . 59.8331938365 . . . . . . . . . . 2 25684 4 257 1 4.703 . 32.7584721209 . . . . . . . . . . 2 25684 4 257 2 57.036 . 108.1459912660 . . . . . . . . . . 2 25684 4 257 3 7.266 . 71.6618459688 . . . . . . . . . . 2 25684 4 258 1 1.541 . 47.2208769809 . . . . . . . . . . 2 25684 4 258 2 41.901 . 104.3607722420 . . . . . . . . . . 2 25684 4 258 3 1.390 . 68.7175588270 . . . . . . . . . . 2 25684 4 259 1 1.541 . 43.2336874639 . . . . . . . . . . 2 25684 4 259 2 41.901 . 102.7714499630 . . . . . . . . . . 2 25684 4 259 3 0.876 . 136.5026885260 . . . . . . . . . . 2 25684 4 260 1 1.541 . 44.4792138230 . . . . . . . . . . 2 25684 4 260 2 41.901 . 97.5677861127 . . . . . . . . . . 2 25684 4 260 3 0.794 . 144.1472124850 . . . . . . . . . . 2 25684 4 261 1 1.541 . 46.5292523742 . . . . . . . . . . 2 25684 4 261 2 41.901 . 104.7247979060 . . . . . . . . . . 2 25684 4 261 3 1.541 . 68.1290232959 . . . . . . . . . . 2 25684 4 262 1 2.017 . 30.8393831687 . . . . . . . . . . 2 25684 4 262 2 26.874 . 98.8011811860 . . . . . . . . . . 2 25684 4 262 3 2.308 . 72.7337639187 . . . . . . . . . . 2 25684 4 263 1 2.017 . 41.9309647281 . . . . . . . . . . 2 25684 4 263 2 26.874 . 102.9143877370 . . . . . . . . . . 2 25684 4 263 3 2.017 . 81.4593262500 . . . . . . . . . . 2 25684 4 264 1 2.017 . 117.1697878260 . . . . . . . . . . 2 25684 4 264 2 26.874 . 125.3414460210 . . . . . . . . . . 2 25684 4 264 3 3.444 . 72.4488848239 . . . . . . . . . . 2 25684 4 265 1 2.017 . 37.4056777206 . . . . . . . . . . 2 25684 4 265 2 26.874 . 96.5635773859 . . . . . . . . . . 2 25684 4 265 3 3.688 . 77.8320803744 . . . . . . . . . . 2 25684 4 266 1 2.017 . 35.0365435946 . . . . . . . . . . 2 25684 4 266 2 26.874 . 92.3896324036 . . . . . . . . . . 2 25684 4 266 3 4.312 . 76.2365428453 . . . . . . . . . . 2 25684 4 267 1 2.805 . 31.8109689872 . . . . . . . . . . 2 25684 4 267 2 27.388 . 89.9309407144 . . . . . . . . . . 2 25684 4 267 3 2.807 . 128.6972159270 . . . . . . . . . . 2 25684 4 268 1 2.805 . 27.1434436221 . . . . . . . . . . 2 25684 4 268 2 27.388 . 81.8592081498 . . . . . . . . . . 2 25684 4 268 3 2.723 . 150.2477024790 . . . . . . . . . . 2 25684 4 269 1 2.718 . 36.0713464610 . . . . . . . . . . 2 25684 4 269 2 27.388 . 87.7929479412 . . . . . . . . . . 2 25684 4 269 3 2.717 . 130.6564973850 . . . . . . . . . . 2 25684 4 270 1 2.718 . 29.3462567056 . . . . . . . . . . 2 25684 4 270 2 27.388 . 82.6925394239 . . . . . . . . . . 2 25684 4 270 3 2.806 . 161.4379250020 . . . . . . . . . . 2 25684 4 271 1 2.717 . 27.0425973791 . . . . . . . . . . 2 25684 4 271 2 27.388 . 66.2551002884 . . . . . . . . . . 2 25684 4 271 3 3.441 . 138.8047905900 . . . . . . . . . . 2 25684 4 272 1 2.806 . 28.6117348165 . . . . . . . . . . 2 25684 4 272 2 27.388 . 91.8680917423 . . . . . . . . . . 2 25684 4 272 3 3.445 . 108.6333583230 . . . . . . . . . . 2 25684 4 273 1 2.805 . 39.7559972490 . . . . . . . . . . 2 25684 4 273 2 27.388 . 60.2500940713 . . . . . . . . . . 2 25684 4 273 3 0.894 . 82.1685732619 . . . . . . . . . . 2 25684 4 274 1 2.718 . 34.4261980494 . . . . . . . . . . 2 25684 4 274 2 27.388 . 60.9336038821 . . . . . . . . . . 2 25684 4 274 3 0.895 . 101.4126657870 . . . . . . . . . . 2 25684 4 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 4.627 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 4 1 2 1 . . 53.932 . . 4 . 1 1 10 ASP CA . . . . . . . . . . 74 . 25684 4 1 3 1 . . 2.683 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 4 2 1 1 . . 4.627 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 4 2 2 1 . . 53.944 . . 4 . 1 1 10 ASP CA . . . . . . . . . . 74 . 25684 4 2 3 1 . . 2.763 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 4 3 1 1 . . 4.274 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 4 3 2 1 . . 69.189 . . 4 . 1 1 24 THR CB . . . . . . . . . . 116 . 25684 4 3 3 1 . . 1.240 . . 4 . 1 1 24 THR MG . . . . . . . . . . 239 . 25684 4 4 1 1 . . 4.274 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 4 4 2 1 . . 69.189 . . 4 . 1 1 24 THR CB . . . . . . . . . . 116 . 25684 4 4 3 1 . . 4.274 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 4 5 1 3 . . 4.345 . . 4 . 1 1 28 THR HB . . . . . . . . . . 353 . 25684 4 5 2 4 . . 69.306 . . 4 . 1 1 28 THR CB . . . . . . . . . . 125 . 25684 4 5 3 3 . . 1.257 . . 4 . 1 1 28 THR MG . . . . . . . . . . 250 . 25684 4 6 1 1 . . 4.211 . . 4 . 1 1 19 THR HB . . . . . . . . . . 234 . 25684 4 6 2 1 . . 69.219 . . 4 . 1 1 19 THR CB . . . . . . . . . . 352 . 25684 4 6 3 1 . . 1.229 . . 4 . 1 1 19 THR MG . . . . . . . . . . 232 . 25684 4 7 1 1 . . 4.212 . . 4 . 1 1 19 THR HB . . . . . . . . . . 234 . 25684 4 7 2 1 . . 69.219 . . 4 . 1 1 19 THR CB . . . . . . . . . . 352 . 25684 4 7 3 1 . . 4.211 . . 4 . 1 1 19 THR HB . . . . . . . . . . 234 . 25684 4 8 1 1 . . 4.321 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 8 2 1 . . 63.155 . . 4 . 1 1 27 PRO CA . . . . . . . . . . 127 . 25684 4 8 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 9 1 1 . . 4.320 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 9 2 1 . . 63.155 . . 4 . 1 1 27 PRO CA . . . . . . . . . . 127 . 25684 4 9 3 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 10 1 1 . . 4.322 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 10 2 1 . . 63.155 . . 4 . 1 1 27 PRO CA . . . . . . . . . . 127 . 25684 4 10 3 1 . . 4.321 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 11 1 1 . . 4.320 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 11 2 1 . . 63.155 . . 4 . 1 1 27 PRO CA . . . . . . . . . . 127 . 25684 4 11 3 1 . . 2.315 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 12 1 1 . . 4.320 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 12 2 1 . . 63.155 . . 4 . 1 1 27 PRO CA . . . . . . . . . . 127 . 25684 4 12 3 1 . . 1.992 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 13 1 1 . . 4.320 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 13 2 1 . . 63.148 . . 4 . 1 1 27 PRO CA . . . . . . . . . . 127 . 25684 4 13 3 1 . . 1.275 . . 4 . 1 1 28 THR MG . . . . . . . . . . 250 . 25684 4 14 1 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 14 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 14 3 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 15 1 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 15 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 15 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 16 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 16 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 16 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 17 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 17 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 17 3 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 18 1 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 18 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 19 1 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 19 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 19 3 1 . . 2.309 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 20 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 20 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 20 3 1 . . 2.312 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 21 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 21 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 22 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 22 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 22 3 1 . . 1.999 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 23 1 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 23 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 23 3 1 . . 1.999 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 24 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 24 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 25 1 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 25 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 26 1 1 . . 3.443 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 26 2 1 . . 50.373 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 26 3 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 27 1 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 27 2 1 . . 50.372 . . 4 . 1 1 27 PRO CD . . . . . . . . . . 358 . 25684 4 27 3 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 28 1 1 . . 4.703 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 241 . 25684 4 28 2 1 . . 57.041 . . 4 . 1 1 25 TRP CA . . . . . . . . . . 117 . 25684 4 28 3 1 . . 3.297 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 4 29 1 1 . . 4.703 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 241 . 25684 4 29 2 1 . . 57.041 . . 4 . 1 1 25 TRP CA . . . . . . . . . . 117 . 25684 4 29 3 1 . . 7.573 . . 4 . 1 1 25 TRP HE3 . . . . . . . . . . 336 . 25684 4 30 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 30 2 1 . . 57.300 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 30 3 1 . . 3.266 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 31 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 31 2 1 . . 57.311 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 31 3 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 32 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 32 2 1 . . 57.311 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 32 3 1 . . 7.209 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 4 33 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 33 2 1 . . 57.311 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 33 3 6 . . 7.545 . . 4 . 1 1 21 TRP HE3 . . . . . . . . . . 389 . 25684 4 34 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 34 2 1 . . 57.311 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 34 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 35 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 35 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 35 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 36 1 1 . . 4.510 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 36 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 36 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 37 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 37 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 37 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 38 1 1 . . 4.424 . . 4 . 1 1 2 ALA HA . . . . . . . . . . 193 . 25684 4 38 2 1 . . 52.208 . . 4 . 1 1 2 ALA CA . . . . . . . . . . 73 . 25684 4 38 3 1 . . 1.439 . . 4 . 1 1 2 ALA MB . . . . . . . . . . 194 . 25684 4 39 1 1 . . 4.423 . . 4 . 1 1 2 ALA HA . . . . . . . . . . 193 . 25684 4 39 2 1 . . 52.208 . . 4 . 1 1 2 ALA CA . . . . . . . . . . 73 . 25684 4 39 3 1 . . 4.422 . . 4 . 1 1 2 ALA HA . . . . . . . . . . 193 . 25684 4 40 1 1 . . 4.527 . . 4 . 1 1 3 MET HA . . . . . . . . . . 195 . 25684 4 40 2 1 . . 55.311 . . 4 . 1 1 3 MET CA . . . . . . . . . . 72 . 25684 4 40 3 1 . . 4.526 . . 4 . 1 1 3 MET HA . . . . . . . . . . 195 . 25684 4 41 1 1 . . 2.681 . . 4 . 1 1 3 MET HB2 . . . . . . . . . . 198 . 25684 4 41 2 1 . . 31.735 . . 4 . 1 1 3 MET CB . . . . . . . . . . 56 . 25684 4 41 3 1 . . 2.680 . . 4 . 1 1 3 MET HB2 . . . . . . . . . . 198 . 25684 4 42 1 2 . . 2.615 . . 4 . 1 1 3 MET HB3 . . . . . . . . . . 361 . 25684 4 42 2 1 . . 31.749 . . 4 . 1 1 3 MET CB . . . . . . . . . . 56 . 25684 4 42 3 1 . . 2.614 . . 4 . 1 1 3 MET HB2 . . . . . . . . . . 198 . 25684 4 43 1 1 . . 4.577 . . 4 . 1 1 5 SER HA . . . . . . . . . . 200 . 25684 4 43 2 1 . . 57.743 . . 4 . 1 1 5 SER CA . . . . . . . . . . 76 . 25684 4 43 3 1 . . 3.923 . . 4 . 1 1 5 SER HB2 . . . . . . . . . . 201 . 25684 4 44 1 1 . . 4.577 . . 4 . 1 1 5 SER HA . . . . . . . . . . 200 . 25684 4 44 2 1 . . 57.743 . . 4 . 1 1 5 SER CA . . . . . . . . . . 76 . 25684 4 44 3 2 . . 4.577 . . 4 . 1 1 5 SER HA . . . . . . . . . . 200 . 25684 4 45 1 1 . . 3.923 . . 4 . 1 1 5 SER HB2 . . . . . . . . . . 201 . 25684 4 45 2 1 . . 63.556 . . 4 . 1 1 5 SER CB . . . . . . . . . . 106 . 25684 4 45 3 1 . . 3.923 . . 4 . 1 1 5 SER HB2 . . . . . . . . . . 201 . 25684 4 46 1 1 . . 3.923 . . 4 . 1 1 5 SER HB2 . . . . . . . . . . 201 . 25684 4 46 2 1 . . 63.556 . . 4 . 1 1 5 SER CB . . . . . . . . . . 106 . 25684 4 46 3 1 . . 4.577 . . 4 . 1 1 5 SER HA . . . . . . . . . . 200 . 25684 4 47 1 1 . . 4.239 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 4 47 2 1 . . 61.968 . . 4 . 1 1 6 VAL CA . . . . . . . . . . 75 . 25684 4 47 3 1 . . 2.178 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 4 48 1 1 . . 4.239 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 4 48 2 1 . . 61.968 . . 4 . 1 1 6 VAL CA . . . . . . . . . . 75 . 25684 4 48 3 1 . . 0.989 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 4 49 1 1 . . 4.239 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 4 49 2 1 . . 61.968 . . 4 . 1 1 6 VAL CA . . . . . . . . . . 75 . 25684 4 49 3 1 . . 4.239 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 4 50 1 1 . . 2.178 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 4 50 2 1 . . 32.414 . . 4 . 1 1 6 VAL CB . . . . . . . . . . 59 . 25684 4 50 3 1 . . 4.239 . . 4 . 1 1 6 VAL HA . . . . . . . . . . 202 . 25684 4 51 1 1 . . 2.179 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 4 51 2 1 . . 32.414 . . 4 . 1 1 6 VAL CB . . . . . . . . . . 59 . 25684 4 51 3 1 . . 2.178 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 4 52 1 1 . . 2.178 . . 4 . 1 1 6 VAL HB . . . . . . . . . . 203 . 25684 4 52 2 1 . . 32.414 . . 4 . 1 1 6 VAL CB . . . . . . . . . . 59 . 25684 4 52 3 1 . . 0.997 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 4 53 1 1 . . 0.990 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 4 53 2 1 . . 19.967 . . 4 . 1 1 6 VAL CG2 . . . . . . . . . . 161 . 25684 4 53 3 1 . . 0.990 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 4 54 1 1 . . 1.000 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 4 54 2 1 . . 20.870 . . 4 . 1 1 6 VAL CG1 . . . . . . . . . . 162 . 25684 4 54 3 1 . . 0.996 . . 4 . 1 1 6 VAL MG1 . . . . . . . . . . 204 . 25684 4 55 1 1 . . 4.704 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 4 55 2 1 . . 53.989 . . 4 . 1 1 7 ASP CA . . . . . . . . . . 87 . 25684 4 55 3 1 . . 4.704 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 4 56 1 1 . . 4.704 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 4 56 2 1 . . 53.989 . . 4 . 1 1 7 ASP CA . . . . . . . . . . 87 . 25684 4 56 3 1 . . 2.786 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 4 57 1 1 . . 4.704 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 4 57 2 1 . . 53.989 . . 4 . 1 1 7 ASP CA . . . . . . . . . . 87 . 25684 4 57 3 1 . . 2.678 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 4 58 1 1 . . 2.678 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 4 58 2 1 . . 41.056 . . 4 . 1 1 7 ASP CB . . . . . . . . . . 163 . 25684 4 58 3 1 . . 2.678 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 4 59 1 1 . . 2.678 . . 4 . 1 1 7 ASP HB3 . . . . . . . . . . 206 . 25684 4 59 2 1 . . 41.056 . . 4 . 1 1 7 ASP CB . . . . . . . . . . 163 . 25684 4 59 3 1 . . 4.704 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 4 60 1 2 . . 2.679 . . 4 . 1 1 10 ASP HB3 . . . . . . . . . . 215 . 25684 4 60 2 2 . . 41.019 . . 4 . 1 1 10 ASP CB . . . . . . . . . . 57 . 25684 4 60 3 1 . . 4.627 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 4 61 1 1 . . 2.786 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 4 61 2 1 . . 41.061 . . 4 . 1 1 7 ASP CB . . . . . . . . . . 163 . 25684 4 61 3 1 . . 4.704 . . 4 . 1 1 7 ASP HA . . . . . . . . . . 207 . 25684 4 62 1 2 . . 2.772 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 4 62 2 2 . . 41.020 . . 4 . 1 1 10 ASP CB . . . . . . . . . . 57 . 25684 4 62 3 1 . . 4.627 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 4 63 1 1 . . 2.787 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 4 63 2 1 . . 41.061 . . 4 . 1 1 7 ASP CB . . . . . . . . . . 163 . 25684 4 63 3 1 . . 2.786 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 4 64 1 1 . . 4.457 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 64 2 1 . . 58.121 . . 4 . 1 1 8 SER CA . . . . . . . . . . 94 . 25684 4 64 3 1 . . 4.457 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 65 1 1 . . 4.457 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 65 2 1 . . 58.121 . . 4 . 1 1 8 SER CA . . . . . . . . . . 94 . 25684 4 65 3 1 . . 3.874 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 4 66 1 1 . . 3.874 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 4 66 2 1 . . 63.338 . . 4 . 1 1 8 SER CB . . . . . . . . . . 93 . 25684 4 66 3 1 . . 4.457 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 67 1 1 . . 3.873 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 4 67 2 1 . . 63.338 . . 4 . 1 1 8 SER CB . . . . . . . . . . 93 . 25684 4 67 3 1 . . 3.874 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 4 68 1 1 . . 3.972 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 4 68 2 1 . . 63.366 . . 4 . 1 1 8 SER CB . . . . . . . . . . 93 . 25684 4 68 3 1 . . 4.460 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 69 1 1 . . 3.973 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 4 69 2 1 . . 63.366 . . 4 . 1 1 8 SER CB . . . . . . . . . . 93 . 25684 4 69 3 1 . . 3.972 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 4 70 1 1 . . 3.973 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 4 70 2 1 . . 63.366 . . 4 . 1 1 8 SER CB . . . . . . . . . . 93 . 25684 4 70 3 1 . . 3.874 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 4 71 1 1 . . 3.873 . . 4 . 1 1 8 SER HB3 . . . . . . . . . . 210 . 25684 4 71 2 1 . . 63.366 . . 4 . 1 1 8 SER CB . . . . . . . . . . 93 . 25684 4 71 3 1 . . 3.972 . . 4 . 1 1 8 SER HB2 . . . . . . . . . . 209 . 25684 4 72 1 1 . . 4.355 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 4 72 2 1 . . 52.639 . . 4 . 1 1 9 ALA CA . . . . . . . . . . 77 . 25684 4 72 3 1 . . 1.453 . . 4 . 1 1 9 ALA MB . . . . . . . . . . 212 . 25684 4 73 1 1 . . 4.355 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 4 73 2 1 . . 52.639 . . 4 . 1 1 9 ALA CA . . . . . . . . . . 77 . 25684 4 73 3 1 . . 4.355 . . 4 . 1 1 9 ALA HA . . . . . . . . . . 211 . 25684 4 74 1 1 . . 1.453 . . 4 . 1 1 9 ALA MB . . . . . . . . . . 212 . 25684 4 74 2 1 . . 18.975 . . 4 . 1 1 9 ALA CB . . . . . . . . . . 60 . 25684 4 74 3 1 . . 1.453 . . 4 . 1 1 9 ALA MB . . . . . . . . . . 212 . 25684 4 75 1 1 . . 4.627 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 4 75 2 1 . . 53.943 . . 4 . 1 1 10 ASP CA . . . . . . . . . . 74 . 25684 4 75 3 1 . . 4.626 . . 4 . 1 1 10 ASP HA . . . . . . . . . . 213 . 25684 4 76 1 1 . . 4.374 . . 4 . 1 1 11 ALA HA . . . . . . . . . . 217 . 25684 4 76 2 1 . . 52.535 . . 4 . 1 1 11 ALA CA . . . . . . . . . . 88 . 25684 4 76 3 1 . . 4.373 . . 4 . 1 1 11 ALA HA . . . . . . . . . . 217 . 25684 4 77 1 1 . . 4.374 . . 4 . 1 1 11 ALA HA . . . . . . . . . . 217 . 25684 4 77 2 1 . . 52.535 . . 4 . 1 1 11 ALA CA . . . . . . . . . . 88 . 25684 4 77 3 1 . . 1.465 . . 4 . 1 1 11 ALA MB . . . . . . . . . . 216 . 25684 4 78 1 1 . . 3.900 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 4 78 2 1 . . 63.480 . . 4 . 1 1 15 SER CB . . . . . . . . . . 67 . 25684 4 78 3 1 . . 4.464 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 4 79 1 1 . . 3.900 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 4 79 2 1 . . 63.480 . . 4 . 1 1 15 SER CB . . . . . . . . . . 67 . 25684 4 79 3 1 . . 3.900 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 4 80 1 1 . . 4.464 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 4 80 2 1 . . 58.159 . . 4 . 1 1 15 SER CA . . . . . . . . . . 86 . 25684 4 80 3 1 . . 3.898 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 4 81 1 1 . . 4.464 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 4 81 2 1 . . 58.159 . . 4 . 1 1 15 SER CA . . . . . . . . . . 86 . 25684 4 81 3 1 . . 4.464 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 4 82 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 82 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 82 3 1 . . 1.428 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 83 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 83 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 83 3 2 . . 1.383 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 4 84 1 1 . . 1.428 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 84 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 84 3 1 . . 1.428 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 85 1 1 . . 1.384 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 4 85 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 85 3 1 . . 1.384 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 4 86 1 1 . . 1.384 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 4 86 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 86 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 87 1 1 . . 1.429 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 87 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 87 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 88 1 1 . . 1.390 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 4 88 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 88 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 89 1 1 . . 1.423 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 89 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 89 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 90 1 1 . . 1.390 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 4 90 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 90 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 91 1 1 . . 1.425 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 91 2 1 . . 42.426 . . 4 . 1 1 22 LEU CB . . . . . . . . . . 55 . 25684 4 91 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 92 1 1 . . 0.793 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 92 2 1 . . 23.197 . . 4 . 1 1 18 LEU CD2 . . . . . . . . . . 364 . 25684 4 92 3 1 . . 1.514 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 4 93 1 1 . . 0.793 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 93 2 1 . . 23.197 . . 4 . 1 1 18 LEU CD2 . . . . . . . . . . 364 . 25684 4 93 3 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 94 1 1 . . 0.792 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 94 2 1 . . 23.197 . . 4 . 1 1 18 LEU CD2 . . . . . . . . . . 364 . 25684 4 94 3 1 . . 1.384 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 95 1 1 . . 0.790 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 95 2 1 . . 23.197 . . 4 . 1 1 18 LEU CD2 . . . . . . . . . . 364 . 25684 4 95 3 1 . . 0.792 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 96 1 1 . . 0.792 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 96 2 1 . . 23.197 . . 4 . 1 1 18 LEU CD2 . . . . . . . . . . 364 . 25684 4 96 3 1 . . 4.321 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 97 1 1 . . 4.318 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 97 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 97 3 2 . . 4.322 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 98 1 1 . . 4.320 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 98 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 98 3 1 . . 3.304 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 4 99 1 1 . . 4.321 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 99 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 99 3 1 . . 3.241 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 4 100 1 1 . . 4.320 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 100 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 100 3 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 101 1 1 . . 4.320 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 101 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 101 3 1 . . 1.516 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 4 102 1 1 . . 4.320 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 102 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 102 3 1 . . 1.387 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 103 1 1 . . 4.319 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 103 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 103 3 1 . . 0.875 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 104 1 1 . . 4.319 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 104 2 1 . . 55.083 . . 4 . 1 1 18 LEU CA . . . . . . . . . . 368 . 25684 4 104 3 1 . . 0.795 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 105 1 1 . . 1.388 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 105 2 1 . . 26.481 . . 4 . 1 1 18 LEU CG . . . . . . . . . . 166 . 25684 4 105 3 1 . . 1.388 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 106 1 1 . . 1.388 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 106 2 1 . . 26.481 . . 4 . 1 1 18 LEU CG . . . . . . . . . . 166 . 25684 4 106 3 1 . . 0.876 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 107 1 1 . . 1.388 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 107 2 1 . . 26.481 . . 4 . 1 1 18 LEU CG . . . . . . . . . . 166 . 25684 4 107 3 1 . . 0.796 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 108 1 1 . . 1.389 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 108 2 1 . . 26.481 . . 4 . 1 1 18 LEU CG . . . . . . . . . . 166 . 25684 4 108 3 1 . . 4.322 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 109 1 1 . . 3.224 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 109 2 1 . . 29.550 . . 4 . 1 1 21 TRP CB . . . . . . . . . . 346 . 25684 4 109 3 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 110 1 1 . . 3.265 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 110 2 1 . . 29.550 . . 4 . 1 1 21 TRP CB . . . . . . . . . . 346 . 25684 4 110 3 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 111 1 1 . . 3.224 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 111 2 1 . . 29.550 . . 4 . 1 1 21 TRP CB . . . . . . . . . . 346 . 25684 4 111 3 1 . . 3.224 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 112 1 1 . . 3.266 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 112 2 1 . . 29.550 . . 4 . 1 1 21 TRP CB . . . . . . . . . . 346 . 25684 4 112 3 1 . . 3.265 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 113 1 1 . . 3.265 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 113 2 1 . . 29.550 . . 4 . 1 1 21 TRP CB . . . . . . . . . . 346 . 25684 4 113 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 114 1 1 . . 0.876 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 114 2 1 . . 24.614 . . 4 . 1 1 18 LEU CD1 . . . . . . . . . . 366 . 25684 4 114 3 1 . . 1.387 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 115 1 1 . . 0.876 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 115 2 1 . . 24.614 . . 4 . 1 1 18 LEU CD1 . . . . . . . . . . 366 . 25684 4 115 3 1 . . 1.503 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 4 116 1 1 . . 0.876 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 116 2 1 . . 24.614 . . 4 . 1 1 18 LEU CD1 . . . . . . . . . . 366 . 25684 4 116 3 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 117 1 1 . . 0.875 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 117 2 1 . . 24.614 . . 4 . 1 1 18 LEU CD1 . . . . . . . . . . 366 . 25684 4 117 3 1 . . 0.877 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 118 1 1 . . 0.876 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 118 2 1 . . 24.614 . . 4 . 1 1 18 LEU CD1 . . . . . . . . . . 366 . 25684 4 118 3 1 . . 4.316 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 119 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 119 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 119 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 120 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 120 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 120 3 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 121 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 121 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 121 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 122 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 122 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 122 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 123 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 123 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 123 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 124 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 124 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 124 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 125 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 125 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 125 3 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 126 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 126 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 126 3 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 127 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 127 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 127 3 2 . . 1.717 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 128 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 128 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 128 3 2 . . 1.717 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 129 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 129 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 129 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 130 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 130 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 130 3 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 131 1 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 131 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 131 3 1 . . 1.719 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 132 1 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 132 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 132 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 133 1 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 133 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 133 3 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 134 1 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 134 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 134 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 135 1 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 135 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 135 3 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 136 1 1 . . 1.715 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 136 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 136 3 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 137 1 1 . . 1.715 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 137 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 137 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 138 1 1 . . 1.714 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 138 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 138 3 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 139 1 1 . . 1.714 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 139 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 139 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 140 1 1 . . 1.714 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 140 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 140 3 1 . . 1.714 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 141 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 141 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 141 3 1 . . 1.240 . . 4 . 1 1 24 THR MG . . . . . . . . . . 239 . 25684 4 142 1 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 142 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 142 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 143 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 143 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 143 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 144 1 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 144 2 1 . . 49.990 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 144 3 1 . . 4.244 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 145 1 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 145 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 145 3 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 146 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 146 2 1 . . 49.990 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 146 3 1 . . 4.242 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 147 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 147 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 147 3 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 148 1 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 148 2 1 . . 31.533 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 148 3 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 149 1 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 149 2 1 . . 26.906 . . 4 . 1 1 23 PRO CG . . . . . . . . . . 295 . 25684 4 149 3 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 150 1 1 . . 4.235 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 4 150 2 1 . . 62.850 . . 4 . 1 1 23 PRO CA . . . . . . . . . . 112 . 25684 4 150 3 1 . . 3.545 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 151 1 1 . . 3.544 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 151 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 151 3 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 152 1 1 . . 3.544 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 152 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 152 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 153 1 1 . . 3.544 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 153 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 153 3 1 . . 1.722 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 154 1 1 . . 3.546 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 154 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 154 3 1 . . 1.423 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 155 1 1 . . 3.546 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 155 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 155 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 156 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 156 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 156 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 157 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 157 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 157 3 1 . . 1.421 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 4 158 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 158 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 158 3 1 . . 1.724 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 159 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 159 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 159 3 1 . . 1.933 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 4 160 1 1 . . 3.514 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 160 2 1 . . 49.991 . . 4 . 1 1 23 PRO CD . . . . . . . . . . 374 . 25684 4 160 3 1 . . 2.155 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 4 161 1 1 . . 4.281 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 4 161 2 1 . . 61.974 . . 4 . 1 1 24 THR CA . . . . . . . . . . 167 . 25684 4 161 3 1 . . 1.240 . . 4 . 1 1 24 THR MG . . . . . . . . . . 239 . 25684 4 162 1 1 . . 4.282 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 4 162 2 1 . . 61.974 . . 4 . 1 1 24 THR CA . . . . . . . . . . 167 . 25684 4 162 3 1 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 163 1 1 . . 4.280 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 4 163 2 1 . . 61.974 . . 4 . 1 1 24 THR CA . . . . . . . . . . 167 . 25684 4 163 3 1 . . 4.279 . . 4 . 1 1 24 THR HA . . . . . . . . . . 240 . 25684 4 164 1 1 . . 4.703 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 241 . 25684 4 164 2 1 . . 57.041 . . 4 . 1 1 25 TRP CA . . . . . . . . . . 117 . 25684 4 164 3 1 . . 4.703 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 241 . 25684 4 165 1 1 . . 2.312 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 165 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 165 3 1 . . 4.321 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 166 1 1 . . 1.994 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 166 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 166 3 1 . . 4.321 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 167 1 1 . . 2.311 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 167 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 167 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 168 1 1 . . 2.311 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 168 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 168 3 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 169 1 1 . . 2.312 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 169 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 169 3 1 . . 2.313 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 170 1 1 . . 2.311 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 170 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 170 3 1 . . 1.998 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 171 1 1 . . 1.991 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 171 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 171 3 1 . . 1.991 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 172 1 1 . . 1.991 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 172 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 172 3 1 . . 2.313 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 173 1 1 . . 1.992 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 173 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 173 3 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 174 1 1 . . 1.992 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 174 2 1 . . 31.879 . . 4 . 1 1 27 PRO CB . . . . . . . . . . 126 . 25684 4 174 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 175 1 2 . . 2.722 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 175 2 2 . . 27.389 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 175 3 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 176 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 176 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 176 3 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 177 1 2 . . 2.808 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 177 2 2 . . 27.389 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 177 3 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 178 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 178 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 178 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 179 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 179 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 179 3 1 . . 3.440 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 180 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 180 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 180 3 2 . . 2.808 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 181 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 181 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 181 3 2 . . 2.722 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 182 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 182 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 182 3 1 . . 1.993 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 4 183 1 2 . . 2.722 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 183 2 2 . . 27.389 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 183 3 1 . . 3.689 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 184 1 1 . . 4.664 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 4 184 2 1 . . 55.616 . . 4 . 1 1 26 CYS CA . . . . . . . . . . 377 . 25684 4 184 3 1 . . 4.324 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 185 1 2 . . 2.808 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 185 2 2 . . 27.389 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 185 3 1 . . 3.691 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 186 1 1 . . 4.343 . . 4 . 1 1 28 THR HB . . . . . . . . . . 353 . 25684 4 186 2 1 . . 69.340 . . 4 . 1 1 28 THR CB . . . . . . . . . . 125 . 25684 4 186 3 1 . . 4.342 . . 4 . 1 1 28 THR HB . . . . . . . . . . 353 . 25684 4 187 1 1 . . 4.448 . . 4 . 1 1 28 THR HA . . . . . . . . . . 248 . 25684 4 187 2 1 . . 61.583 . . 4 . 1 1 28 THR CA . . . . . . . . . . 121 . 25684 4 187 3 1 . . 1.257 . . 4 . 1 1 28 THR MG . . . . . . . . . . 250 . 25684 4 188 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 188 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 188 3 1 . . 1.519 . . 4 . 1 1 22 LEU HG . . . . . . . . . . 370 . 25684 4 189 1 1 . . 4.447 . . 4 . 1 1 28 THR HA . . . . . . . . . . 248 . 25684 4 189 2 1 . . 61.583 . . 4 . 1 1 28 THR CA . . . . . . . . . . 121 . 25684 4 189 3 1 . . 4.447 . . 4 . 1 1 28 THR HA . . . . . . . . . . 248 . 25684 4 190 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 190 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 190 3 1 . . 0.850 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 383 . 25684 4 191 1 1 . . 4.584 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 4 191 2 1 . . 58.031 . . 4 . 1 1 29 SER CA . . . . . . . . . . 122 . 25684 4 191 3 1 . . 3.943 . . 4 . 1 1 29 SER HB2 . . . . . . . . . . 252 . 25684 4 192 1 1 . . 4.584 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 4 192 2 1 . . 58.031 . . 4 . 1 1 29 SER CA . . . . . . . . . . 122 . 25684 4 192 3 1 . . 4.584 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 4 193 1 1 . . 4.348 . . 4 . 1 1 30 THR HB . . . . . . . . . . 254 . 25684 4 193 2 1 . . 69.128 . . 4 . 1 1 30 THR CB . . . . . . . . . . 130 . 25684 4 193 3 1 . . 1.257 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 4 194 1 1 . . 4.347 . . 4 . 1 1 30 THR HB . . . . . . . . . . 254 . 25684 4 194 2 1 . . 69.128 . . 4 . 1 1 30 THR CB . . . . . . . . . . 130 . 25684 4 194 3 1 . . 4.346 . . 4 . 1 1 30 THR HB . . . . . . . . . . 254 . 25684 4 195 1 1 . . 1.255 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 4 195 2 1 . . 21.121 . . 4 . 1 1 30 THR CG2 . . . . . . . . . . 169 . 25684 4 195 3 1 . . 1.255 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 4 196 1 1 . . 4.732 . . 4 . 1 1 32 HIS HA . . . . . . . . . . 257 . 25684 4 196 2 1 . . 55.490 . . 4 . 1 1 32 HIS CA . . . . . . . . . . 83 . 25684 4 196 3 1 . . 3.171 . . 4 . 1 1 32 HIS HB3 . . . . . . . . . . 259 . 25684 4 197 1 1 . . 4.732 . . 4 . 1 1 32 HIS HA . . . . . . . . . . 257 . 25684 4 197 2 1 . . 55.490 . . 4 . 1 1 32 HIS CA . . . . . . . . . . 83 . 25684 4 197 3 1 . . 3.250 . . 4 . 1 1 32 HIS HB2 . . . . . . . . . . 258 . 25684 4 198 1 1 . . 4.733 . . 4 . 1 1 32 HIS HA . . . . . . . . . . 257 . 25684 4 198 2 1 . . 55.490 . . 4 . 1 1 32 HIS CA . . . . . . . . . . 83 . 25684 4 198 3 1 . . 4.732 . . 4 . 1 1 32 HIS HA . . . . . . . . . . 257 . 25684 4 199 1 1 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 199 2 1 . . 54.804 . . 4 . 1 1 33 LEU CA . . . . . . . . . . 82 . 25684 4 199 3 2 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 200 1 1 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 200 2 1 . . 54.804 . . 4 . 1 1 33 LEU CA . . . . . . . . . . 82 . 25684 4 200 3 1 . . 1.617 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 4 201 1 1 . . 4.374 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 201 2 1 . . 54.804 . . 4 . 1 1 33 LEU CA . . . . . . . . . . 82 . 25684 4 201 3 1 . . 0.905 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 4 202 1 1 . . 4.374 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 202 2 1 . . 54.804 . . 4 . 1 1 33 LEU CA . . . . . . . . . . 82 . 25684 4 202 3 1 . . 0.958 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 203 1 1 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 203 2 1 . . 54.804 . . 4 . 1 1 33 LEU CA . . . . . . . . . . 82 . 25684 4 203 3 1 . . 1.676 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 204 1 1 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 204 2 1 . . 54.804 . . 4 . 1 1 33 LEU CA . . . . . . . . . . 82 . 25684 4 204 3 1 . . 1.542 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 4 205 1 1 . . 1.617 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 4 205 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 205 3 1 . . 0.957 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 206 1 1 . . 1.617 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 4 206 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 206 3 1 . . 0.884 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 4 207 1 1 . . 1.617 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 4 207 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 207 3 1 . . 1.617 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 4 208 1 1 . . 1.617 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 4 208 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 208 3 1 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 209 1 1 . . 1.676 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 209 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 209 3 2 . . 4.375 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 260 . 25684 4 210 1 1 . . 1.676 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 210 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 210 3 1 . . 1.676 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 211 1 1 . . 1.676 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 211 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 211 3 1 . . 0.957 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 212 1 1 . . 1.676 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 212 2 1 . . 42.013 . . 4 . 1 1 33 LEU CB . . . . . . . . . . 64 . 25684 4 212 3 1 . . 0.884 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 4 213 1 1 . . 1.518 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 4 213 2 1 . . 26.595 . . 4 . 1 1 33 LEU CG . . . . . . . . . . 173 . 25684 4 213 3 1 . . 0.884 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 4 214 1 1 . . 1.517 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 4 214 2 1 . . 26.595 . . 4 . 1 1 33 LEU CG . . . . . . . . . . 173 . 25684 4 214 3 1 . . 0.957 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 215 1 1 . . 1.518 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 4 215 2 1 . . 26.595 . . 4 . 1 1 33 LEU CG . . . . . . . . . . 173 . 25684 4 215 3 1 . . 1.518 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 4 216 1 1 . . 4.350 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 216 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 216 3 1 . . 4.350 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 217 1 1 . . 4.349 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 217 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 217 3 1 . . 2.140 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 4 218 1 1 . . 4.349 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 218 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 218 3 1 . . 2.012 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 4 219 1 1 . . 4.350 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 219 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 219 3 1 . . 1.897 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 220 1 1 . . 4.350 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 220 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 220 3 1 . . 1.816 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 221 1 1 . . 4.350 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 221 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 221 3 1 . . 1.493 . . 4 . 1 1 34 LYS HG2 . . . . . . . . . . 268 . 25684 4 222 1 1 . . 4.350 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 222 2 1 . . 56.073 . . 4 . 1 1 34 LYS CA . . . . . . . . . . 84 . 25684 4 222 3 1 . . 1.477 . . 4 . 1 1 34 LYS HG3 . . . . . . . . . . 269 . 25684 4 223 1 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 223 2 1 . . 56.436 . . 4 . 1 1 35 GLU CA . . . . . . . . . . 89 . 25684 4 223 3 1 . . 2.140 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 4 224 1 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 224 2 1 . . 56.436 . . 4 . 1 1 35 GLU CA . . . . . . . . . . 89 . 25684 4 224 3 1 . . 2.013 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 4 225 1 1 . . 2.140 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 4 225 2 1 . . 29.862 . . 4 . 1 1 35 GLU CB . . . . . . . . . . 343 . 25684 4 225 3 1 . . 2.140 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 4 226 1 1 . . 2.140 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 4 226 2 1 . . 29.862 . . 4 . 1 1 35 GLU CB . . . . . . . . . . 343 . 25684 4 226 3 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 227 1 1 . . 2.015 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 4 227 2 1 . . 29.862 . . 4 . 1 1 35 GLU CB . . . . . . . . . . 343 . 25684 4 227 3 1 . . 2.015 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 4 228 1 1 . . 1.896 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 228 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 228 3 1 . . 4.351 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 229 1 1 . . 1.813 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 229 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 229 3 1 . . 4.351 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 4 230 1 1 . . 1.895 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 230 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 230 3 1 . . 1.895 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 231 1 1 . . 1.895 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 231 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 231 3 1 . . 1.811 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 232 1 1 . . 1.895 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 232 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 232 3 1 . . 1.494 . . 4 . 1 1 34 LYS HG2 . . . . . . . . . . 268 . 25684 4 233 1 1 . . 1.813 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 233 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 233 3 1 . . 1.894 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 4 234 1 1 . . 1.813 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 234 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 234 3 1 . . 1.813 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 235 1 1 . . 1.814 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 4 235 2 1 . . 32.724 . . 4 . 1 1 34 LYS CB . . . . . . . . . . 65 . 25684 4 235 3 1 . . 1.494 . . 4 . 1 1 34 LYS HG2 . . . . . . . . . . 268 . 25684 4 236 1 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 236 2 1 . . 56.436 . . 4 . 1 1 35 GLU CA . . . . . . . . . . 89 . 25684 4 236 3 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 237 1 1 . . 2.358 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 4 237 2 1 . . 35.916 . . 4 . 1 1 35 GLU CG . . . . . . . . . . 179 . 25684 4 237 3 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 238 1 1 . . 2.358 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 4 238 2 1 . . 35.916 . . 4 . 1 1 35 GLU CG . . . . . . . . . . 179 . 25684 4 238 3 1 . . 2.358 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 4 239 1 1 . . 4.237 . . 4 . 1 1 39 LYS HA . . . . . . . . . . 299 . 25684 4 239 2 1 . . 57.186 . . 4 . 1 1 39 LYS CA . . . . . . . . . . 85 . 25684 4 239 3 1 . . 4.237 . . 4 . 1 1 39 LYS HA . . . . . . . . . . 299 . 25684 4 240 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 240 2 1 . . 57.311 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 240 3 1 . . 0.850 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 383 . 25684 4 241 1 1 . . 4.355 . . 4 . 1 1 36 ALA HA . . . . . . . . . . 278 . 25684 4 241 2 1 . . 52.290 . . 4 . 1 1 36 ALA CA . . . . . . . . . . 78 . 25684 4 241 3 1 . . 1.465 . . 4 . 1 1 36 ALA MB . . . . . . . . . . 279 . 25684 4 242 1 1 . . 4.356 . . 4 . 1 1 36 ALA HA . . . . . . . . . . 278 . 25684 4 242 2 1 . . 52.290 . . 4 . 1 1 36 ALA CA . . . . . . . . . . 78 . 25684 4 242 3 1 . . 4.356 . . 4 . 1 1 36 ALA HA . . . . . . . . . . 278 . 25684 4 243 1 1 . . 4.303 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 4 243 2 1 . . 56.436 . . 4 . 1 1 35 GLU CA . . . . . . . . . . 89 . 25684 4 243 3 1 . . 2.358 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 4 244 1 3 . . 0.884 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 244 2 1 . . 23.577 . . 4 . 1 1 22 LEU CD1 . . . . . . . . . . 298 . 25684 4 244 3 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 245 1 1 . . 4.511 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 360 . 25684 4 245 2 1 . . 52.218 . . 4 . 1 1 22 LEU CA . . . . . . . . . . 71 . 25684 4 245 3 1 . . 3.529 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 4 246 1 1 . . 0.966 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 246 2 1 . . 24.638 . . 4 . 1 1 33 LEU CD1 . . . . . . . . . . 174 . 25684 4 246 3 1 . . 1.671 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 4 247 1 1 . . 0.965 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 247 2 1 . . 24.638 . . 4 . 1 1 33 LEU CD1 . . . . . . . . . . 174 . 25684 4 247 3 1 . . 1.530 . . 4 . 1 1 33 LEU HG . . . . . . . . . . 263 . 25684 4 248 1 1 . . 0.965 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 248 2 1 . . 24.638 . . 4 . 1 1 33 LEU CD1 . . . . . . . . . . 174 . 25684 4 248 3 1 . . 0.965 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 4 249 1 1 . . 1.744 . . 4 . 1 1 34 LYS HD3 . . . . . . . . . . 271 . 25684 4 249 2 1 . . 28.715 . . 4 . 1 1 34 LYS CD . . . . . . . . . . 177 . 25684 4 249 3 1 . . 1.745 . . 4 . 1 1 34 LYS HD3 . . . . . . . . . . 271 . 25684 4 250 1 1 . . 1.744 . . 4 . 1 1 34 LYS HD3 . . . . . . . . . . 271 . 25684 4 250 2 1 . . 28.715 . . 4 . 1 1 34 LYS CD . . . . . . . . . . 177 . 25684 4 250 3 1 . . 3.049 . . 4 . 1 1 34 LYS HE2 . . . . . . . . . . 267 . 25684 4 251 1 1 . . 4.457 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 251 2 1 . . 58.159 . . 4 . 1 1 8 SER CA . . . . . . . . . . 94 . 25684 4 251 3 1 . . 2.769 . . 4 . 1 1 10 ASP HB2 . . . . . . . . . . 214 . 25684 4 252 1 1 . . 4.457 . . 4 . 1 1 8 SER HA . . . . . . . . . . 208 . 25684 4 252 2 1 . . 58.159 . . 4 . 1 1 8 SER CA . . . . . . . . . . 94 . 25684 4 252 3 1 . . 2.787 . . 4 . 1 1 7 ASP HB2 . . . . . . . . . . 205 . 25684 4 253 1 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 253 2 1 . . 41.901 . . 4 . 1 1 18 LEU CB . . . . . . . . . . 354 . 25684 4 253 3 1 . . 4.322 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 4 254 1 1 . . 4.567 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 4 254 2 1 . . 57.300 . . 4 . 1 1 21 TRP CA . . . . . . . . . . 70 . 25684 4 254 3 2 . . 3.225 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 4 255 1 1 . . 1.717 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 4 255 2 1 . . 31.531 . . 4 . 1 1 23 PRO CB . . . . . . . . . . 113 . 25684 4 255 3 1 . . 3.546 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 4 256 1 1 . . 0.904 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 4 256 2 1 . . 23.205 . . 4 . 1 1 33 LEU CD2 . . . . . . . . . . 175 . 25684 4 256 3 1 . . 0.904 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 4 257 1 1 . . 4.703 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 241 . 25684 4 257 2 1 . . 57.036 . . 4 . 1 1 25 TRP CA . . . . . . . . . . 117 . 25684 4 257 3 1 . . 7.266 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 4 258 1 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 258 2 1 . . 41.901 . . 4 . 1 1 18 LEU CB . . . . . . . . . . 354 . 25684 4 258 3 1 . . 1.390 . . 4 . 1 1 18 LEU HG . . . . . . . . . . 367 . 25684 4 259 1 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 259 2 1 . . 41.901 . . 4 . 1 1 18 LEU CB . . . . . . . . . . 354 . 25684 4 259 3 1 . . 0.876 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 365 . 25684 4 260 1 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 260 2 1 . . 41.901 . . 4 . 1 1 18 LEU CB . . . . . . . . . . 354 . 25684 4 260 3 1 . . 0.794 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 4 261 1 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 261 2 1 . . 41.901 . . 4 . 1 1 18 LEU CB . . . . . . . . . . 354 . 25684 4 261 3 1 . . 1.541 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 4 262 1 1 . . 2.017 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 4 262 2 1 . . 26.874 . . 4 . 1 1 27 PRO CG . . . . . . . . . . 359 . 25684 4 262 3 1 . . 2.308 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 4 263 1 1 . . 2.017 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 4 263 2 1 . . 26.874 . . 4 . 1 1 27 PRO CG . . . . . . . . . . 359 . 25684 4 263 3 1 . . 2.017 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 4 264 1 1 . . 2.017 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 4 264 2 1 . . 26.874 . . 4 . 1 1 27 PRO CG . . . . . . . . . . 359 . 25684 4 264 3 1 . . 3.444 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 265 1 1 . . 2.017 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 4 265 2 1 . . 26.874 . . 4 . 1 1 27 PRO CG . . . . . . . . . . 359 . 25684 4 265 3 1 . . 3.688 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 4 266 1 1 . . 2.017 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 4 266 2 1 . . 26.874 . . 4 . 1 1 27 PRO CG . . . . . . . . . . 359 . 25684 4 266 3 1 . . 4.312 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 356 . 25684 4 267 1 1 . . 2.805 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 267 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 267 3 1 . . 2.807 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 268 1 1 . . 2.805 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 268 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 268 3 1 . . 2.723 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 269 1 1 . . 2.718 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 269 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 269 3 1 . . 2.717 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 270 1 1 . . 2.718 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 270 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 270 3 1 . . 2.806 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 271 1 1 . . 2.717 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 271 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 271 3 1 . . 3.441 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 272 1 1 . . 2.806 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 272 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 272 3 1 . . 3.445 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 4 273 1 1 . . 2.805 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 4 273 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 273 3 1 . . 0.894 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 274 1 1 . . 2.718 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 4 274 2 1 . . 27.388 . . 4 . 1 1 26 CYS CB . . . . . . . . . . 397 . 25684 4 274 3 1 . . 0.895 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 293 . 25684 4 stop_ save_ save_peak_list_1_2_3_4_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $wr18_39 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $2 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; cyana format, file /Volumes/CGI/Mac_10Sep2014/wr10_43/ccpnmr/NOESY_200ms_2.peaks. ; _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 11718.75 Hz . . . . . . 25684 5 2 . . H 1 1H . . 11718.75 Hz . . . . . . 25684 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . 'Original number 36' 25684 5 2 1.0 . 'Original number 37' 25684 5 3 1.0 . 'Original number 38' 25684 5 4 1.0 . 'Original number 39' 25684 5 5 1.0 . 'Original number 40' 25684 5 6 1.0 . 'Original number 41' 25684 5 7 1.0 . 'Original number 42' 25684 5 8 1.0 . 'Original number 43' 25684 5 9 1.0 . 'Original number 44' 25684 5 10 1.0 . 'Original number 47' 25684 5 11 1.0 . 'Original number 48' 25684 5 12 1.0 . 'Original number 54' 25684 5 13 1.0 . 'Original number 55' 25684 5 14 1.0 . 'Original number 56' 25684 5 15 1.0 . 'Original number 57' 25684 5 16 1.0 . 'Original number 58' 25684 5 17 1.0 . 'Original number 59' 25684 5 18 1.0 . 'Original number 60' 25684 5 19 1.0 . 'Original number 62' 25684 5 20 1.0 . 'Original number 67' 25684 5 21 1.0 . 'Original number 69' 25684 5 22 1.0 . 'Original number 70' 25684 5 23 1.0 . 'Original number 71' 25684 5 24 1.0 . 'Original number 74' 25684 5 25 1.0 . 'Original number 75' 25684 5 26 1.0 . 'Original number 76' 25684 5 27 1.0 . 'Original number 83' 25684 5 28 1.0 . 'Original number 84' 25684 5 29 1.0 . 'Original number 85' 25684 5 30 1.0 . 'Original number 86' 25684 5 31 1.0 . 'Original number 89' 25684 5 32 1.0 . 'Original number 90' 25684 5 33 1.0 . 'Original number 94' 25684 5 34 1.0 . 'Original number 95' 25684 5 35 1.0 . 'Original number 96' 25684 5 36 1.0 . 'Original number 97' 25684 5 37 1.0 . 'Original number 98' 25684 5 38 1.0 . 'Original number 99' 25684 5 39 1.0 . 'Original number 101' 25684 5 40 1.0 . 'Original number 102' 25684 5 41 1.0 . 'Original number 104' 25684 5 42 1.0 . 'Original number 105' 25684 5 43 1.0 . 'Original number 106' 25684 5 44 1.0 . 'Original number 107' 25684 5 45 1.0 . 'Original number 108' 25684 5 46 1.0 . 'Original number 109' 25684 5 47 1.0 . 'Original number 110' 25684 5 48 1.0 . 'Original number 111' 25684 5 49 1.0 . 'Original number 113' 25684 5 50 1.0 . 'Original number 115' 25684 5 51 1.0 . 'Original number 117' 25684 5 52 1.0 . 'Original number 118' 25684 5 53 1.0 . 'Original number 119' 25684 5 54 1.0 . 'Original number 125' 25684 5 55 1.0 . 'Original number 126' 25684 5 56 1.0 . 'Original number 127' 25684 5 57 1.0 . 'Original number 128' 25684 5 58 1.0 . 'Original number 129' 25684 5 59 1.0 . 'Original number 130' 25684 5 60 1.0 . 'Original number 131' 25684 5 61 1.0 . 'Original number 132' 25684 5 62 1.0 . 'Original number 133' 25684 5 63 1.0 . 'Original number 134' 25684 5 64 1.0 . 'Original number 136' 25684 5 65 1.0 . 'Original number 137' 25684 5 66 1.0 . 'Original number 138' 25684 5 67 1.0 . 'Original number 139' 25684 5 68 1.0 . 'Original number 140' 25684 5 69 1.0 . 'Original number 144' 25684 5 70 1.0 . 'Original number 149' 25684 5 71 1.0 . 'Original number 150' 25684 5 72 1.0 . 'Original number 153' 25684 5 73 1.0 . 'Original number 154' 25684 5 74 1.0 . 'Original number 156' 25684 5 75 1.0 . 'Original number 157' 25684 5 76 1.0 . 'Original number 158' 25684 5 77 1.0 . 'Original number 160' 25684 5 78 1.0 . 'Original number 161' 25684 5 79 1.0 . 'Original number 162' 25684 5 80 1.0 . 'Original number 163' 25684 5 81 1.0 . 'Original number 164' 25684 5 82 1.0 . 'Original number 165' 25684 5 83 1.0 . 'Original number 166' 25684 5 84 1.0 . 'Original number 167' 25684 5 85 1.0 . 'Original number 169' 25684 5 86 1.0 . 'Original number 170' 25684 5 87 1.0 . 'Original number 171' 25684 5 88 1.0 . 'Original number 172' 25684 5 89 1.0 . 'Original number 173' 25684 5 90 1.0 . 'Original number 177' 25684 5 91 1.0 . 'Original number 178' 25684 5 92 1.0 . 'Original number 179' 25684 5 93 1.0 . 'Original number 180' 25684 5 94 1.0 . 'Original number 187' 25684 5 95 1.0 . 'Original number 188' 25684 5 96 1.0 . 'Original number 189' 25684 5 97 1.0 . 'Original number 190' 25684 5 98 1.0 . 'Original number 192' 25684 5 99 1.0 . 'Original number 193' 25684 5 100 1.0 . 'Original number 194' 25684 5 101 1.0 . 'Original number 196' 25684 5 102 1.0 . 'Original number 197' 25684 5 103 1.0 . 'Original number 198' 25684 5 104 1.0 . 'Original number 199' 25684 5 105 1.0 . 'Original number 212' 25684 5 106 1.0 . 'Original number 213' 25684 5 107 1.0 . 'Original number 214' 25684 5 108 1.0 . 'Original number 216' 25684 5 109 1.0 . 'Original number 219' 25684 5 110 1.0 . 'Original number 220' 25684 5 111 1.0 . 'Original number 229' 25684 5 112 1.0 . 'Original number 233' 25684 5 113 1.0 . 'Original number 234' 25684 5 114 1.0 . 'Original number 320' 25684 5 115 1.0 . 'Original number 321' 25684 5 116 1.0 . 'Original number 329' 25684 5 117 1.0 . 'Original number 331' 25684 5 118 1.0 . 'Original number 342' 25684 5 119 1.0 . 'Original number 348' 25684 5 120 1.0 . 'Original number 349' 25684 5 121 1.0 . 'Original number 395' 25684 5 122 1.0 . 'Original number 397' 25684 5 123 1.0 . 'Original number 399' 25684 5 124 1.0 . 'Original number 400' 25684 5 125 1.0 . 'Original number 401' 25684 5 126 1.0 . 'Original number 404' 25684 5 127 1.0 . 'Original number 408' 25684 5 128 1.0 . 'Original number 411' 25684 5 129 1.0 . 'Original number 413' 25684 5 130 1.0 . 'Original number 414' 25684 5 131 1.0 . 'Original number 420' 25684 5 132 1.0 . 'Original number 421' 25684 5 133 1.0 . 'Original number 422' 25684 5 134 1.0 . 'Original number 429' 25684 5 135 1.0 . 'Original number 432' 25684 5 136 1.0 . 'Original number 433' 25684 5 137 1.0 . 'Original number 434' 25684 5 138 1.0 . 'Original number 438' 25684 5 139 1.0 . 'Original number 440' 25684 5 140 1.0 . 'Original number 441' 25684 5 141 1.0 . 'Original number 444' 25684 5 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 1948713.50000 . height 25684 5 1 15244147.81250 . volume 25684 5 2 3751496.50000 . height 25684 5 2 30720945.25000 . volume 25684 5 3 18883698.00000 . height 25684 5 3 145218502.00000 . volume 25684 5 4 19937840.00000 . height 25684 5 4 147116837.00000 . volume 25684 5 5 3551434.50000 . height 25684 5 5 26413472.62500 . volume 25684 5 6 3797707.00000 . height 25684 5 6 29743260.50000 . volume 25684 5 7 4059203.75000 . height 25684 5 7 30757226.00000 . volume 25684 5 8 18624810.00000 . height 25684 5 8 142568028.00000 . volume 25684 5 9 26900644.00000 . height 25684 5 9 205710866.00000 . volume 25684 5 10 2603431.75000 . height 25684 5 10 19633419.37500 . volume 25684 5 11 7229224.50000 . height 25684 5 11 53617452.50000 . volume 25684 5 12 8765399.00000 . height 25684 5 12 75166038.50000 . volume 25684 5 13 8357019.50000 . height 25684 5 13 68499988.50000 . volume 25684 5 14 3137747.50000 . height 25684 5 14 25033101.25000 . volume 25684 5 15 3662442.25000 . height 25684 5 15 30608438.50000 . volume 25684 5 16 9567185.00000 . height 25684 5 16 76093235.50000 . volume 25684 5 17 4542952.00000 . height 25684 5 17 37495938.25000 . volume 25684 5 18 6155213.00000 . height 25684 5 18 52814153.00000 . volume 25684 5 19 5013159.50000 . height 25684 5 19 41056884.25000 . volume 25684 5 20 5122233.00000 . height 25684 5 20 43819326.50000 . volume 25684 5 21 29954714.00000 . height 25684 5 21 240159308.00000 . volume 25684 5 22 9988547.00000 . height 25684 5 22 76631102.00000 . volume 25684 5 23 15689058.00000 . height 25684 5 23 126427588.00000 . volume 25684 5 24 2241563.00000 . height 25684 5 24 18973787.25000 . volume 25684 5 25 2194177.50000 . height 25684 5 25 17871499.37500 . volume 25684 5 26 19865888.00000 . height 25684 5 26 158007989.00000 . volume 25684 5 27 13228387.00000 . height 25684 5 27 107971932.00000 . volume 25684 5 28 13789647.00000 . height 25684 5 28 111687073.00000 . volume 25684 5 29 5488932.50000 . height 25684 5 29 44698601.25000 . volume 25684 5 30 3438327.00000 . height 25684 5 30 29394591.00000 . volume 25684 5 31 13031058.00000 . height 25684 5 31 103997791.00000 . volume 25684 5 32 15771856.00000 . height 25684 5 32 126064457.00000 . volume 25684 5 33 10612773.00000 . height 25684 5 33 86276894.00000 . volume 25684 5 34 1504797.25000 . height 25684 5 34 13731392.87500 . volume 25684 5 35 1928110.75000 . height 25684 5 35 15102696.12500 . volume 25684 5 36 3379143.00000 . height 25684 5 36 26348889.50000 . volume 25684 5 37 39224432.00000 . height 25684 5 37 289697396.00000 . volume 25684 5 38 87879080.00000 . height 25684 5 38 662916152.00000 . volume 25684 5 39 5227222.00000 . height 25684 5 39 42327245.75000 . volume 25684 5 40 6362891.00000 . height 25684 5 40 50995340.00000 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15845324.00000 . height 25684 5 55 128212683.00000 . volume 25684 5 56 12082612.00000 . height 25684 5 56 98724028.00000 . volume 25684 5 57 4724004.50000 . height 25684 5 57 40627976.25000 . volume 25684 5 58 4719326.50000 . height 25684 5 58 38170022.75000 . volume 25684 5 59 18371300.00000 . height 25684 5 59 151166489.00000 . volume 25684 5 60 14313975.00000 . height 25684 5 60 112796330.00000 . volume 25684 5 61 6998270.50000 . height 25684 5 61 55899915.50000 . volume 25684 5 62 15999343.00000 . height 25684 5 62 128727469.00000 . volume 25684 5 63 3230198.50000 . height 25684 5 63 27080644.75000 . volume 25684 5 64 3343543.25000 . height 25684 5 64 27811439.50000 . volume 25684 5 65 5327291.50000 . height 25684 5 65 42955623.00000 . volume 25684 5 66 23910910.00000 . height 25684 5 66 188551531.00000 . volume 25684 5 67 20505350.00000 . height 25684 5 67 160265265.00000 . volume 25684 5 68 26010900.00000 . height 25684 5 68 202413394.00000 . volume 25684 5 69 33017472.00000 . 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. volume 25684 5 98 3250205.50000 . height 25684 5 98 27174444.25000 . volume 25684 5 99 3559489.50000 . height 25684 5 99 30363565.75000 . volume 25684 5 100 5466166.50000 . height 25684 5 100 44573689.25000 . volume 25684 5 101 6009035.00000 . height 25684 5 101 50400352.75000 . volume 25684 5 102 13926941.00000 . height 25684 5 102 117261758.00000 . volume 25684 5 103 15130194.00000 . height 25684 5 103 122809890.00000 . volume 25684 5 104 10681484.00000 . height 25684 5 104 89450424.50000 . volume 25684 5 105 8814595.00000 . height 25684 5 105 71784148.50000 . volume 25684 5 106 7582683.00000 . height 25684 5 106 62331868.00000 . volume 25684 5 107 4747477.50000 . height 25684 5 107 39633729.25000 . volume 25684 5 108 1713921.12500 . height 25684 5 108 13265365.50000 . volume 25684 5 109 1457070.00000 . height 25684 5 109 11734601.68750 . volume 25684 5 110 1585167.25000 . height 25684 5 110 13125304.62500 . volume 25684 5 111 9927230.00000 . height 25684 5 111 80438735.00000 . volume 25684 5 112 19394980.00000 . height 25684 5 112 154075022.00000 . volume 25684 5 113 1733759.12500 . height 25684 5 113 12832369.87500 . volume 25684 5 114 16667223.00000 . height 25684 5 114 147331698.00000 . volume 25684 5 115 14343025.00000 . height 25684 5 115 125371934.50000 . volume 25684 5 116 4958334.00000 . height 25684 5 116 41092612.75000 . volume 25684 5 117 21634390.00000 . height 25684 5 117 184698350.00000 . volume 25684 5 118 3445576.75000 . height 25684 5 118 27486886.37500 . volume 25684 5 119 37266020.00000 . height 25684 5 119 311831297.00000 . volume 25684 5 120 4552747.50000 . height 25684 5 120 38163386.25000 . volume 25684 5 121 6330846.00000 . height 25684 5 121 50944128.00000 . volume 25684 5 122 4782730.50000 . height 25684 5 122 37106706.75000 . volume 25684 5 123 1642499.12500 . height 25684 5 123 13024446.37500 . volume 25684 5 124 3810668.75000 . height 25684 5 124 28830380.75000 . volume 25684 5 125 106636040.00000 . height 25684 5 125 806547774.00000 . volume 25684 5 126 39476948.00000 . height 25684 5 126 320526232.00000 . volume 25684 5 127 9424767.00000 . height 25684 5 127 75031335.50000 . volume 25684 5 128 4339794.50000 . height 25684 5 128 35702108.75000 . volume 25684 5 129 15573329.00000 . height 25684 5 129 132492969.50000 . volume 25684 5 130 6518544.00000 . height 25684 5 130 56544905.00000 . volume 25684 5 131 2437081.00000 . height 25684 5 131 21331014.37500 . volume 25684 5 132 1738700.50000 . height 25684 5 132 13837615.25000 . volume 25684 5 133 1166005.87500 . height 25684 5 133 10274844.62500 . volume 25684 5 134 2315937.25000 . height 25684 5 134 20686187.31250 . volume 25684 5 135 1802548.75000 . height 25684 5 135 14718527.50000 . volume 25684 5 136 924366.93750 . height 25684 5 136 7470899.40625 . volume 25684 5 137 848143.43750 . height 25684 5 137 6856615.03125 . volume 25684 5 138 1634125.00000 . height 25684 5 138 13694787.37500 . volume 25684 5 139 2031208.12500 . height 25684 5 139 16764267.62500 . volume 25684 5 140 1621441.87500 . height 25684 5 140 13844894.87500 . volume 25684 5 141 6426891.50000 . height 25684 5 141 53916953.00000 . volume 25684 5 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.441 . 21.9501089305 . . . . . . . . . . 2 25684 5 1 2 7.289 . 26.5053240582 . . . . . . . . . . 2 25684 5 2 1 7.495 . 31.8362144753 . . . . . . . . . . 2 25684 5 2 2 7.289 . 31.8152597174 . . . . . . . . . . 2 25684 5 3 1 7.286 . 10.7728410512 . . . . . . . . . . 2 25684 5 3 2 7.148 . 36.9711779058 . . . . . . . . . . 2 25684 5 4 1 7.286 . 10.4365171865 . . . . . . . . . . 2 25684 5 4 2 4.541 . 23.8150823861 . . . . . . . . . . 2 25684 5 5 1 7.286 . 10.2535123006 . . . . . . . . . . 2 25684 5 5 2 4.321 . 21.3466119021 . . . . . . . . . . 2 25684 5 6 1 7.286 . 10.3481579572 . . . . . . . . . . 2 25684 5 6 2 4.171 . 44.7893980891 . . . . . . . . . . 2 25684 5 7 1 7.286 . 11.5195289254 . . . . . . . . . . 2 25684 5 7 2 3.970 . 23.4742183238 . . . . . . . . . . 2 25684 5 8 1 7.286 . 10.4410573840 . . . . . . . . . . 2 25684 5 8 2 3.367 . 31.1918556690 . . . . . . . . . . 2 25684 5 9 1 7.286 . 10.6425723061 . . . . . . . . . . 2 25684 5 9 2 3.157 . 31.2344636768 . . . . . . . . . . 2 25684 5 10 1 7.286 . 11.5886796266 . . . . . . . . . . 2 25684 5 10 2 1.369 . 31.4083881676 . . . . . . . . . . 2 25684 5 11 1 7.286 . 11.6976443678 . . . . . . . . . . 2 25684 5 11 2 1.177 . 24.6372073889 . . . . . . . . . . 2 25684 5 12 1 7.497 . 22.6405682042 . . . . . . . . . . 2 25684 5 12 2 7.147 . 39.3554801121 . . . . . . . . . . 2 25684 5 13 1 7.147 . 27.0567834377 . . . . . . . . . . 2 25684 5 13 2 4.541 . 25.7121864706 . . . . . . . . . . 2 25684 5 14 1 7.147 . 23.6044870690 . . . . . . . . . . 2 25684 5 14 2 4.320 . 24.4975090027 . . . . . . . . . . 2 25684 5 15 1 7.147 . 33.9103862643 . . . . . . . . . . 2 25684 5 15 2 4.169 . 23.1012236327 . . . . . . . . . . 2 25684 5 16 1 7.147 . 41.9521238655 . . . . . . . . . . 2 25684 5 16 2 3.969 . 23.6872583628 . . . . . . . . . . 2 25684 5 17 1 7.147 . 28.1328102574 . . . . . . . . . . 2 25684 5 17 2 3.368 . 29.2221084237 . . . . . . . . . . 2 25684 5 18 1 7.147 . 37.4919036403 . . . . . . . . . . 2 25684 5 18 2 3.157 . 33.2531053573 . . . . . . . . . . 2 25684 5 19 1 7.146 . 43.7849666923 . . . . . . . . . . 2 25684 5 19 2 1.176 . 25.0695738941 . . . . . . . . . . 2 25684 5 20 1 8.439 . 22.7993004955 . . . . . . . . . . 2 25684 5 20 2 7.146 . 35.7268145308 . . . . . . . . . . 2 25684 5 21 1 8.439 . 24.9434961006 . . . . . . . . . . 2 25684 5 21 2 4.321 . 24.8991418630 . . . . . . . . . . 2 25684 5 22 1 8.439 . 22.5113471970 . . . . . . . . . . 2 25684 5 22 2 4.171 . 20.7382254303 . . . . . . . . . . 2 25684 5 23 1 8.439 . 37.8902186640 . . . . . . . . . . 2 25684 5 23 2 3.974 . 24.6826093644 . . . . . . . . . . 2 25684 5 24 1 8.439 . 34.1794802807 . . . . . . . . . . 2 25684 5 24 2 1.613 . 36.8475448340 . . . . . . . . . . 2 25684 5 25 1 8.439 . 21.7700726353 . . . . . . . . . . 2 25684 5 25 2 1.371 . 30.9397000819 . . . . . . . . . . 2 25684 5 26 1 8.439 . 24.8876167461 . . . . . . . . . . 2 25684 5 26 2 1.177 . 23.0236910284 . . . . . . . . . . 2 25684 5 27 1 7.496 . 19.5483444259 . . . . . . . . . . 2 25684 5 27 2 2.269 . 30.1524996758 . . . . . . . . . . 2 25684 5 28 1 7.496 . 19.8085326701 . . . . . . . . . . 2 25684 5 28 2 2.709 . 28.3035915345 . . . . . . . . . . 2 25684 5 29 1 7.496 . 19.6555629373 . . . . . . . . . . 2 25684 5 29 2 3.157 . 30.2593689412 . . . . . . . . . . 2 25684 5 30 1 7.496 . 19.7477638721 . . . . . . . . . . 2 25684 5 30 2 3.369 . 33.9320395142 . . . . . . . . . . 2 25684 5 31 1 7.496 . 20.7598786801 . . . . . . . . . . 2 25684 5 31 2 4.463 . 25.2889003605 . . . . . . . . . . 2 25684 5 32 1 7.496 . 20.4993411899 . . . . . . . . . . 2 25684 5 32 2 4.541 . 24.2048408836 . . . . . . . . . . 2 25684 5 33 1 8.600 . 16.4653756656 . . . . . . . . . . 2 25684 5 33 2 8.362 . 28.1172688119 . . . . . . . . . . 2 25684 5 34 1 8.600 . 20.1710499823 . . . . . . . . . . 2 25684 5 34 2 7.988 . 37.8203694709 . . . . . . . . . . 2 25684 5 35 1 8.599 . 18.7527621165 . . . . . . . . . . 2 25684 5 35 2 7.677 . 29.1980104521 . . . . . . . . . . 2 25684 5 36 1 8.599 . 16.2219512276 . . . . . . . . . . 2 25684 5 36 2 7.410 . 26.9652809948 . . . . . . . . . . 2 25684 5 37 1 8.599 . 15.3518049046 . . . . . . . . . . 2 25684 5 37 2 4.445 . 21.8453351408 . . . . . . . . . . 2 25684 5 38 1 8.599 . 16.4922676049 . . . . . . . . . . 2 25684 5 38 2 3.973 . 22.2350936383 . . . . . . . . . . 2 25684 5 39 1 8.599 . 17.6196335815 . . . . . . . . . . 2 25684 5 39 2 3.808 . 47.8243455291 . . . . . . . . . . 2 25684 5 40 1 8.599 . 15.2817810886 . . . . . . . . . . 2 25684 5 40 2 3.783 . 43.9365394413 . . . . . . . . . . 2 25684 5 41 1 8.726 . 17.0802231878 . . . . . . . . . . 2 25684 5 41 2 3.783 . 46.3882461190 . . . . . . . . . . 2 25684 5 42 1 8.726 . 18.0024071597 . . . . . . . . . . 2 25684 5 42 2 3.808 . 51.1973630637 . . . . . . . . . . 2 25684 5 43 1 8.726 . 20.3254166991 . . . . . . . . . . 2 25684 5 43 2 3.974 . 24.4157854468 . . . . . . . . . . 2 25684 5 44 1 8.726 . 16.1945354193 . . . . . . . . . . 2 25684 5 44 2 4.445 . 24.1873785853 . . . . . . . . . . 2 25684 5 45 1 8.726 . 20.2178489417 . . . . . . . . . . 2 25684 5 45 2 8.602 . 23.9411601797 . . . . . . . . . . 2 25684 5 46 1 8.360 . 16.1940115504 . . . . . . . . . . 2 25684 5 46 2 7.988 . 28.0936947092 . . . . . . . . . . 2 25684 5 47 1 8.360 . 18.5233075172 . . . . . . . . . . 2 25684 5 47 2 7.675 . 24.5142728090 . . . . . . . . . . 2 25684 5 48 1 8.360 . 16.5050150827 . . . . . . . . . . 2 25684 5 48 2 7.410 . 22.4540708587 . . . . . . . . . . 2 25684 5 49 1 8.360 . 16.4837110788 . . . . . . . . . . 2 25684 5 49 2 4.439 . 23.9554792643 . . . . . . . . . . 2 25684 5 50 1 8.359 . 17.0695711859 . . . . . . . . . . 2 25684 5 50 2 3.973 . 26.4134723693 . . . . . . . . . . 2 25684 5 51 1 8.360 . 15.8234615810 . . . . . . . . . . 2 25684 5 51 2 3.312 . 29.5971985906 . . . . . . . . . . 2 25684 5 52 1 8.360 . 16.5481469594 . . . . . . . . . . 2 25684 5 52 2 3.195 . 30.9746246785 . . . . . . . . . . 2 25684 5 53 1 8.359 . 18.7305849977 . . . . . . . . . . 2 25684 5 53 2 1.266 . 36.8210021406 . . . . . . . . . . 2 25684 5 54 1 7.986 . 326.9404987800 . . . . . . . . . . 2 25684 5 54 2 1.132 . 75.5398068577 . . . . . . . . . . 2 25684 5 55 1 7.986 . 19.4526510313 . . . . . . . . . . 2 25684 5 55 2 1.266 . 29.8696104437 . . . . . . . . . . 2 25684 5 56 1 7.986 . 20.0275098905 . . . . . . . . . . 2 25684 5 56 2 1.390 . 30.2670523524 . . . . . . . . . . 2 25684 5 57 1 7.986 . 22.6438860409 . . . . . . . . . . 2 25684 5 57 2 3.194 . 32.3164276779 . . . . . . . . . . 2 25684 5 58 1 7.986 . 18.8940321095 . . . . . . . . . . 2 25684 5 58 2 3.313 . 31.1597250402 . . . . . . . . . . 2 25684 5 59 1 7.986 . 20.2140072361 . . . . . . . . . . 2 25684 5 59 2 3.959 . 31.5355136991 . . . . . . . . . . 2 25684 5 60 1 7.986 . 21.1775768548 . . . . . . . . . . 2 25684 5 60 2 4.438 . 24.1615343839 . . . . . . . . . . 2 25684 5 61 1 7.986 . 22.9327124543 . . . . . . . . . . 2 25684 5 61 2 7.409 . 24.9497825280 . . . . . . . . . . 2 25684 5 62 1 7.986 . 20.7979464903 . . . . . . . . . . 2 25684 5 62 2 7.676 . 26.0879751295 . . . . . . . . . . 2 25684 5 63 1 7.673 . 24.0452354774 . . . . . . . . . . 2 25684 5 63 2 7.407 . 37.9116972908 . . . . . . . . . . 2 25684 5 64 1 7.673 . 96.3971251622 . . . . . . . . . . 2 25684 5 64 2 7.172 . 25.5417544395 . . . . . . . . . . 2 25684 5 65 1 7.673 . 18.4597447515 . . . . . . . . . . 2 25684 5 65 2 4.438 . 24.6840063483 . . . . . . . . . . 2 25684 5 66 1 7.673 . 16.9929116964 . . . . . . . . . . 2 25684 5 66 2 4.124 . 25.2868048847 . . . . . . . . . . 2 25684 5 67 1 7.674 . 17.6215544343 . . . . . . . . . . 2 25684 5 67 2 3.958 . 27.7559738606 . . . . . . . . . . 2 25684 5 68 1 7.674 . 15.6071037054 . . . . . . . . . . 2 25684 5 68 2 3.916 . 27.1161552519 . . . . . . . . . . 2 25684 5 69 1 7.674 . 19.5455504581 . . . . . . . . . . 2 25684 5 69 2 1.132 . 24.2369715124 . . . . . . . . . . 2 25684 5 70 1 7.673 . 15.7422618940 . . . . . . . . . . 2 25684 5 70 2 8.272 . 27.1596363746 . . . . . . . . . . 2 25684 5 71 1 7.673 . 16.0796334967 . . . . . . . . . . 2 25684 5 71 2 8.362 . 24.0752706304 . . . . . . . . . . 2 25684 5 72 1 7.409 . 11.4437425509 . . . . . . . . . . 2 25684 5 72 2 8.364 . 25.3102043644 . . . . . . . . . . 2 25684 5 73 1 7.409 . 15.2753200382 . . . . . . . . . . 2 25684 5 73 2 7.988 . 29.0235620923 . . . . . . . . . . 2 25684 5 74 1 8.360 . 17.4296437763 . . . . . . . . . . 2 25684 5 74 2 8.603 . 25.1161982305 . . . . . . . . . . 2 25684 5 75 1 8.600 . 17.1366264112 . . . . . . . . . . 2 25684 5 75 2 8.729 . 22.6314878091 . . . . . . . . . . 2 25684 5 76 1 7.986 . 19.8303605430 . . . . . . . . . . 2 25684 5 76 2 8.362 . 25.7441424765 . . . . . . . . . . 2 25684 5 77 1 8.271 . 20.8807177842 . . . . . . . . . . 2 25684 5 77 2 7.727 . 26.9893789664 . . . . . . . . . . 2 25684 5 78 1 8.271 . 21.5711770579 . . . . . . . . . . 2 25684 5 78 2 7.677 . 25.2913450822 . . . . . . . . . . 2 25684 5 79 1 8.271 . 19.1804138012 . . . . . . . . . . 2 25684 5 79 2 7.260 . 26.4780828729 . . . . . . . . . . 2 25684 5 80 1 8.271 . 19.8329798877 . . . . . . . . . . 2 25684 5 80 2 7.172 . 21.8016793951 . . . . . . . . . . 2 25684 5 81 1 8.271 . 22.7020354941 . . . . . . . . . . 2 25684 5 81 2 4.126 . 26.2793619186 . . . . . . . . . . 2 25684 5 82 1 8.270 . 24.8455326073 . . . . . . . . . . 2 25684 5 82 2 3.962 . 23.6621126533 . . . . . . . . . . 2 25684 5 83 1 8.271 . 20.2492810786 . . . . . . . . . . 2 25684 5 83 2 3.915 . 30.7071022689 . . . . . . . . . . 2 25684 5 84 1 8.270 . 21.8058703467 . . . . . . . . . . 2 25684 5 84 2 3.818 . 34.4517175108 . . . . . . . . . . 2 25684 5 85 1 8.271 . 22.6571573876 . . . . . . . . . . 2 25684 5 85 2 3.091 . 35.0733753294 . . . . . . . . . . 2 25684 5 86 1 7.726 . 20.8105193451 . . . . . . . . . . 2 25684 5 86 2 8.274 . 28.4223351628 . . . . . . . . . . 2 25684 5 87 1 7.727 . 20.6638360396 . . . . . . . . . . 2 25684 5 87 2 7.259 . 26.6352435574 . . . . . . . . . . 2 25684 5 88 1 7.726 . 21.8655914068 . . . . . . . . . . 2 25684 5 88 2 7.171 . 22.8075077757 . . . . . . . . . . 2 25684 5 89 1 7.727 . 20.7441626117 . . . . . . . . . . 2 25684 5 89 2 4.402 . 26.9582960755 . . . . . . . . . . 2 25684 5 90 1 7.727 . 22.9468569160 . . . . . . . . . . 2 25684 5 90 2 3.818 . 33.1266783178 . . . . . . . . . . 2 25684 5 91 1 7.726 . 21.4555766433 . . . . . . . . . . 2 25684 5 91 2 3.230 . 31.1178155243 . . . . . . . . . . 2 25684 5 92 1 7.727 . 22.4921386689 . . . . . . . . . . 2 25684 5 92 2 3.090 . 32.2528649122 . . . . . . . . . . 2 25684 5 93 1 7.727 . 24.1199741140 . . . . . . . . . . 2 25684 5 93 2 1.515 . 68.2650133967 . . . . . . . . . . 2 25684 5 94 1 7.259 . 21.7402121052 . . . . . . . . . . 2 25684 5 94 2 7.729 . 26.7138238996 . . . . . . . . . . 2 25684 5 95 1 7.259 . 20.8870042115 . . . . . . . . . . 2 25684 5 95 2 8.273 . 27.6644714177 . . . . . . . . . . 2 25684 5 96 1 7.259 . 19.7812914848 . . . . . . . . . . 2 25684 5 96 2 4.402 . 25.2323225141 . . . . . . . . . . 2 25684 5 97 1 7.259 . 20.6027179956 . . . . . . . . . . 2 25684 5 97 2 4.196 . 27.2726174444 . . . . . . . . . . 2 25684 5 98 1 7.259 . 24.1950619966 . . . . . . . . . . 2 25684 5 98 2 3.818 . 35.1013150066 . . . . . . . . . . 2 25684 5 99 1 7.259 . 21.6277549043 . . . . . . . . . . 2 25684 5 99 2 3.586 . 28.5690184683 . . . . . . . . . . 2 25684 5 100 1 7.259 . 22.8029675782 . . . . . . . . . . 2 25684 5 100 2 3.230 . 31.7667145282 . . . . . . . . . . 2 25684 5 101 1 7.259 . 19.1770959646 . . . . . . . . . . 2 25684 5 101 2 3.093 . 36.5471933037 . . . . . . . . . . 2 25684 5 102 1 7.259 . 21.9123903662 . . . . . . . . . . 2 25684 5 102 2 1.514 . 70.8543229848 . . . . . . . . . . 2 25684 5 103 1 7.259 . 20.0330978259 . . . . . . . . . . 2 25684 5 103 2 1.472 . 69.1178720444 . . . . . . . . . . 2 25684 5 104 1 7.259 . 20.7333359867 . . . . . . . . . . 2 25684 5 104 2 1.262 . 33.7490346283 . . . . . . . . . . 2 25684 5 105 1 7.147 . 37.0818888769 . . . . . . . . . . 2 25684 5 105 2 7.287 . 27.2184843197 . . . . . . . . . . 2 25684 5 106 1 7.147 . 29.5902136713 . . . . . . . . . . 2 25684 5 106 2 7.496 . 28.7150032818 . . . . . . . . . . 2 25684 5 107 1 7.148 . 30.0141982734 . . . . . . . . . . 2 25684 5 107 2 8.444 . 28.7719303742 . . . . . . . . . . 2 25684 5 108 1 8.271 . 13.5786831379 . . . . . . . . . . 2 25684 5 108 2 3.231 . 35.8675606549 . . . . . . . . . . 2 25684 5 109 1 8.271 . 21.3981256820 . . . . . . . . . . 2 25684 5 109 2 1.393 . 30.4214190692 . . . . . . . . . . 2 25684 5 110 1 8.271 . 20.4137759283 . . . . . . . . . . 2 25684 5 110 2 1.266 . 31.6284131259 . . . . . . . . . . 2 25684 5 111 1 7.674 . 16.1858042702 . . . . . . . . . . 2 25684 5 111 2 1.392 . 30.9767201543 . . . . . . . . . . 2 25684 5 112 1 7.674 . 15.9140909091 . . . . . . . . . . 2 25684 5 112 2 7.987 . 29.1459728032 . . . . . . . . . . 2 25684 5 113 1 7.674 . 29.1347969323 . . . . . . . . . . 2 25684 5 113 2 8.603 . 24.6499548666 . . . . . . . . . . 2 25684 5 114 1 7.171 . 14.4619261846 . . . . . . . . . . 2 25684 5 114 2 3.092 . 35.1830385625 . . . . . . . . . . 2 25684 5 115 1 7.170 . 12.7467792481 . . . . . . . . . . 2 25684 5 115 2 3.230 . 33.1692863256 . . . . . . . . . . 2 25684 5 116 1 7.170 . 12.2602796182 . . . . . . . . . . 2 25684 5 116 2 8.273 . 27.8766383417 . . . . . . . . . . 2 25684 5 117 1 7.170 . 12.4422367662 . . . . . . . . . . 2 25684 5 117 2 7.730 . 29.0527241305 . . . . . . . . . . 2 25684 5 118 1 7.409 . 14.3760116771 . . . . . . . . . . 2 25684 5 118 2 8.601 . 24.7077550739 . . . . . . . . . . 2 25684 5 119 1 7.409 . 18.3741794899 . . . . . . . . . . 2 25684 5 119 2 3.195 . 34.9001493305 . . . . . . . . . . 2 25684 5 120 1 7.409 . 19.7673216462 . . . . . . . . . . 2 25684 5 120 2 1.263 . 29.9988314509 . . . . . . . . . . 2 25684 5 121 1 7.496 . 19.5965403691 . . . . . . . . . . 2 25684 5 121 2 3.734 . 27.8509687632 . . . . . . . . . . 2 25684 5 122 1 7.496 . 20.6533586606 . . . . . . . . . . 2 25684 5 122 2 3.971 . 24.2223031819 . . . . . . . . . . 2 25684 5 123 1 8.599 . 16.6646204889 . . . . . . . . . . 2 25684 5 123 2 10.638 . 28.5021815216 . . . . . . . . . . 2 25684 5 124 1 8.361 . 14.8394610733 . . . . . . . . . . 2 25684 5 124 2 10.641 . 27.1864846582 . . . . . . . . . . 2 25684 5 125 1 7.409 . 11.7507297546 . . . . . . . . . . 2 25684 5 125 2 10.641 . 18.2156654773 . . . . . . . . . . 2 25684 5 126 1 7.369 . 18.1007198989 . . . . . . . . . . 2 25684 5 126 2 10.639 . 21.9359644689 . . . . . . . . . . 2 25684 5 127 1 7.675 . 15.3612345457 . . . . . . . . . . 2 25684 5 127 2 1.263 . 30.9075694531 . . . . . . . . . . 2 25684 5 128 1 7.727 . 81.1584759504 . . . . . . . . . . 2 25684 5 128 2 3.957 . 66.2009697407 . . . . . . . . . . 2 25684 5 129 1 7.171 . 13.2825225592 . . . . . . . . . . 2 25684 5 129 2 3.958 . 29.9331732094 . . . . . . . . . . 2 25684 5 130 1 7.171 . 13.8336326927 . . . . . . . . . . 2 25684 5 130 2 3.818 . 32.6712615788 . . . . . . . . . . 2 25684 5 131 1 7.727 . 22.5214753300 . . . . . . . . . . 2 25684 5 131 2 4.199 . 30.1427207887 . . . . . . . . . . 2 25684 5 132 1 7.674 . 16.3792865351 . . . . . . . . . . 2 25684 5 132 2 3.197 . 41.3367524743 . . . . . . . . . . 2 25684 5 133 1 7.674 . 112.3318215830 . . . . . . . . . . 2 25684 5 133 2 3.091 . 27.5869388133 . . . . . . . . . . 2 25684 5 134 1 7.170 . 13.2437562570 . . . . . . . . . . 2 25684 5 134 2 1.389 . 35.9723344445 . . . . . . . . . . 2 25684 5 135 1 7.170 . 12.9577238113 . . . . . . . . . . 2 25684 5 135 2 7.990 . 27.1994504146 . . . . . . . . . . 2 25684 5 136 1 8.599 . 18.1040377356 . . . . . . . . . . 2 25684 5 136 2 3.195 . 26.5706330538 . . . . . . . . . . 2 25684 5 137 1 8.599 . 13.6871240102 . . . . . . . . . . 2 25684 5 137 2 3.312 . 19.5081811398 . . . . . . . . . . 2 25684 5 138 1 7.728 . 23.2667662203 . . . . . . . . . . 2 25684 5 138 2 1.390 . 44.8473729193 . . . . . . . . . . 2 25684 5 139 1 7.170 . 15.5522720888 . . . . . . . . . . 2 25684 5 139 2 1.515 . 80.7142350823 . . . . . . . . . . 2 25684 5 140 1 7.171 . 22.0524379984 . . . . . . . . . . 2 25684 5 140 2 1.472 . 89.3392134458 . . . . . . . . . . 2 25684 5 141 1 7.673 . 21.6591870412 . . . . . . . . . . 2 25684 5 141 2 3.820 . 37.2645445168 . . . . . . . . . . 2 25684 5 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.441 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 1 2 1 . . 7.289 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 2 1 1 . . 7.495 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 2 2 1 . . 7.289 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 3 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 3 2 1 . . 7.148 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 4 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 4 2 1 . . 4.541 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 384 . 25684 5 5 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 5 2 1 . . 4.321 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 5 6 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 6 2 1 . . 4.171 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 5 7 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 7 2 1 . . 3.970 . . 4 . 1 1 24 THR HA . . . . . . . . . . 401 . 25684 5 8 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 8 2 1 . . 3.367 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 5 9 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 9 2 1 . . 3.157 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 5 10 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 10 2 1 . . 1.369 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 5 10 2 2 . . 1.369 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 5 11 1 1 . . 7.286 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 11 2 1 . . 1.177 . . 4 . 1 1 24 THR MG . . . . . . . . . . 402 . 25684 5 12 1 1 . . 7.497 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 12 2 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 13 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 13 2 1 . . 4.541 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 384 . 25684 5 14 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 14 2 1 . . 4.320 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 5 15 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 15 2 1 . . 4.169 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 5 16 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 16 2 1 . . 3.969 . . 4 . 1 1 24 THR HA . . . . . . . . . . 401 . 25684 5 17 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 17 2 1 . . 3.368 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 5 18 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 18 2 1 . . 3.157 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 5 19 1 1 . . 7.146 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 19 2 1 . . 1.176 . . 4 . 1 1 24 THR MG . . . . . . . . . . 402 . 25684 5 20 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 20 2 1 . . 7.146 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 21 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 21 2 1 . . 4.321 . . 4 . 1 1 23 PRO HA . . . . . . . . . . 371 . 25684 5 22 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 22 2 1 . . 4.171 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 5 23 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 23 2 1 . . 3.974 . . 4 . 1 1 24 THR HA . . . . . . . . . . 401 . 25684 5 24 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 24 2 1 . . 1.613 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 5 24 2 2 . . 1.613 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 5 25 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 25 2 1 . . 1.371 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 5 25 2 2 . . 1.371 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 5 26 1 1 . . 8.439 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 26 2 1 . . 1.177 . . 4 . 1 1 24 THR MG . . . . . . . . . . 402 . 25684 5 27 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 27 2 1 . . 2.269 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 5 28 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 28 2 1 . . 2.709 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 5 29 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 29 2 1 . . 3.157 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 5 30 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 30 2 1 . . 3.369 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 5 31 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 31 2 1 . . 4.463 . . 4 . 1 1 26 CYS HA . . . . . . . . . . 398 . 25684 5 32 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 32 2 1 . . 4.541 . . 4 . 1 1 25 TRP HA . . . . . . . . . . 384 . 25684 5 33 1 1 . . 8.600 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 33 2 1 . . 8.362 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 34 1 1 . . 8.600 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 34 2 1 . . 7.988 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 35 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 35 2 1 . . 7.677 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 36 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 36 2 1 . . 7.410 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 37 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 37 2 1 . . 4.445 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 5 38 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 38 2 1 . . 3.973 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 5 38 2 2 . . 3.973 . . 4 . 1 1 16 GLY HA2 . . . . . . . . . . 226 . 25684 5 39 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 39 2 1 . . 3.808 . . 4 . 1 1 15 SER HB3 . . . . . . . . . . 404 . 25684 5 40 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 40 2 1 . . 3.783 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 5 41 1 1 . . 8.726 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 5 41 2 1 . . 3.783 . . 4 . 1 1 15 SER HB2 . . . . . . . . . . 225 . 25684 5 42 1 1 . . 8.726 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 5 42 2 1 . . 3.808 . . 4 . 1 1 15 SER HB3 . . . . . . . . . . 404 . 25684 5 43 1 1 . . 8.726 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 5 43 2 1 . . 3.974 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 5 43 2 2 . . 3.974 . . 4 . 1 1 16 GLY HA2 . . . . . . . . . . 226 . 25684 5 44 1 1 . . 8.726 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 5 44 2 1 . . 4.445 . . 4 . 1 1 15 SER HA . . . . . . . . . . 224 . 25684 5 45 1 1 . . 8.726 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 5 45 2 1 . . 8.602 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 46 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 46 2 1 . . 7.988 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 47 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 47 2 1 . . 7.675 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 48 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 48 2 1 . . 7.410 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 49 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 49 2 1 . . 4.439 . . 4 . 1 1 17 TRP HA . . . . . . . . . . 227 . 25684 5 50 1 1 . . 8.359 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 50 2 1 . . 3.973 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 5 50 2 2 . . 3.973 . . 4 . 1 1 16 GLY HA2 . . . . . . . . . . 226 . 25684 5 51 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 51 2 1 . . 3.312 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 5 52 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 52 2 1 . . 3.195 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 5 53 1 1 . . 8.359 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 53 2 1 . . 1.266 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 5 54 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 54 2 1 . . 1.132 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 5 55 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 55 2 1 . . 1.266 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 5 56 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 56 2 1 . . 1.390 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 5 57 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 57 2 1 . . 3.194 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 5 58 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 58 2 1 . . 3.313 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 5 59 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 59 2 1 . . 3.959 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 5 60 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 60 2 1 . . 4.438 . . 4 . 1 1 17 TRP HA . . . . . . . . . . 227 . 25684 5 61 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 61 2 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 62 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 62 2 1 . . 7.676 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 63 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 63 2 1 . . 7.407 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 64 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 64 2 1 . . 7.172 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 65 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 65 2 1 . . 4.438 . . 4 . 1 1 17 TRP HA . . . . . . . . . . 227 . 25684 5 66 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 66 2 1 . . 4.124 . . 4 . 1 1 19 THR HB . . . . . . . . . . 314 . 25684 5 67 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 67 2 1 . . 3.958 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 5 68 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 68 2 1 . . 3.916 . . 4 . 1 1 19 THR HA . . . . . . . . . . 233 . 25684 5 69 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 69 2 1 . . 1.132 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 5 70 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 70 2 1 . . 8.272 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 71 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 71 2 1 . . 8.362 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 72 1 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 72 2 1 . . 8.364 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 73 1 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 73 2 1 . . 7.988 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 74 1 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 74 2 1 . . 8.603 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 75 1 1 . . 8.600 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 75 2 1 . . 8.729 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 5 76 1 1 . . 7.986 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 76 2 1 . . 8.362 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 77 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 77 2 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 78 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 78 2 1 . . 7.677 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 79 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 79 2 1 . . 7.260 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 80 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 80 2 1 . . 7.172 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 81 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 81 2 1 . . 4.126 . . 4 . 1 1 19 THR HB . . . . . . . . . . 314 . 25684 5 82 1 1 . . 8.270 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 82 2 1 . . 3.962 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 5 83 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 83 2 1 . . 3.915 . . 4 . 1 1 19 THR HA . . . . . . . . . . 233 . 25684 5 84 1 1 . . 8.270 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 84 2 1 . . 3.818 . . 4 . 1 1 20 GLY HA2 . . . . . . . . . . 235 . 25684 5 84 2 2 . . 3.818 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 5 85 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 85 2 1 . . 3.091 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 5 86 1 1 . . 7.726 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 86 2 1 . . 8.274 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 87 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 87 2 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 88 1 1 . . 7.726 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 88 2 1 . . 7.171 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 89 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 89 2 1 . . 4.402 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 5 90 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 90 2 1 . . 3.818 . . 4 . 1 1 20 GLY HA2 . . . . . . . . . . 235 . 25684 5 90 2 2 . . 3.818 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 5 91 1 1 . . 7.726 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 91 2 1 . . 3.230 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 5 92 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 92 2 1 . . 3.090 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 5 93 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 93 2 1 . . 1.515 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 5 94 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 94 2 1 . . 7.729 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 95 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 95 2 1 . . 8.273 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 96 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 96 2 1 . . 4.402 . . 4 . 1 1 21 TRP HA . . . . . . . . . . 238 . 25684 5 97 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 97 2 1 . . 4.196 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 387 . 25684 5 98 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 98 2 1 . . 3.818 . . 4 . 1 1 20 GLY HA2 . . . . . . . . . . 235 . 25684 5 98 2 2 . . 3.818 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 5 99 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 99 2 1 . . 3.586 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 5 99 2 2 . . 3.586 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 5 100 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 100 2 1 . . 3.230 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 5 101 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 101 2 1 . . 3.093 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 5 102 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 102 2 1 . . 1.514 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 5 103 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 103 2 1 . . 1.472 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 5 104 1 1 . . 7.259 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 5 104 2 1 . . 1.262 . . 4 . 1 1 22 LEU HG . . . . . . . . . . 370 . 25684 5 105 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 105 2 1 . . 7.287 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 5 106 1 1 . . 7.147 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 106 2 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 107 1 1 . . 7.148 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 5 107 2 1 . . 8.444 . . 4 . 1 1 24 THR H . . . . . . . . . . 399 . 25684 5 108 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 108 2 1 . . 3.231 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 5 109 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 109 2 1 . . 1.393 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 5 110 1 1 . . 8.271 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 110 2 1 . . 1.266 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 5 111 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 111 2 1 . . 1.392 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 5 112 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 112 2 1 . . 7.987 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 113 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 113 2 1 . . 8.603 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 114 1 1 . . 7.171 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 114 2 1 . . 3.092 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 5 115 1 1 . . 7.170 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 115 2 1 . . 3.230 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 5 116 1 1 . . 7.170 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 116 2 1 . . 8.273 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 5 117 1 1 . . 7.170 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 117 2 1 . . 7.730 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 118 1 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 118 2 1 . . 8.601 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 119 1 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 119 2 1 . . 3.195 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 5 120 1 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 120 2 1 . . 1.263 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 5 121 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 121 2 1 . . 3.734 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 5 121 2 2 . . 3.734 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 5 122 1 1 . . 7.496 . . 4 . 1 1 26 CYS H . . . . . . . . . . 400 . 25684 5 122 2 1 . . 3.971 . . 4 . 1 1 24 THR HA . . . . . . . . . . 401 . 25684 5 123 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 123 2 1 . . 10.638 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 5 124 1 1 . . 8.361 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 5 124 2 1 . . 10.641 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 5 125 1 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 5 125 2 1 . . 10.641 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 5 126 1 1 . . 7.369 . . 4 . 1 1 17 TRP HZ2 . . . . . . . . . . 392 . 25684 5 126 2 1 . . 10.639 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 5 127 1 1 . . 7.675 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 127 2 1 . . 1.263 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 5 128 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 128 2 1 . . 3.957 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 5 129 1 1 . . 7.171 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 129 2 1 . . 3.958 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 5 130 1 1 . . 7.171 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 130 2 1 . . 3.818 . . 4 . 1 1 20 GLY HA2 . . . . . . . . . . 235 . 25684 5 130 2 2 . . 3.818 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 5 131 1 1 . . 7.727 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 131 2 1 . . 4.199 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 387 . 25684 5 132 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 132 2 1 . . 3.197 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 5 133 1 1 . . 7.674 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 133 2 1 . . 3.091 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 5 134 1 1 . . 7.170 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 134 2 1 . . 1.389 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 5 135 1 1 . . 7.170 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 135 2 1 . . 7.990 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 5 136 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 136 2 1 . . 3.195 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 5 137 1 1 . . 8.599 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 5 137 2 1 . . 3.312 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 5 138 1 1 . . 7.728 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 5 138 2 1 . . 1.390 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 5 139 1 1 . . 7.170 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 139 2 1 . . 1.515 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 5 140 1 1 . . 7.171 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 5 140 2 1 . . 1.472 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 5 141 1 1 . . 7.673 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 5 141 2 1 . . 3.820 . . 4 . 1 1 20 GLY HA2 . . . . . . . . . . 235 . 25684 5 141 2 2 . . 3.820 . . 4 . 1 1 20 GLY HA3 . . . . . . . . . . 315 . 25684 5 stop_ save_ save_peak_list_1_2_3_4_5_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 6 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $wr18_39 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $2 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; cyana format, file /Volumes/CGI/Mac_10Sep2014/wr10_43/ccpnmr/NOESY_200ms_3.peaks. ; _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 11718.75 Hz . . . . . . 25684 6 2 . . H 1 1H . . 11718.75 Hz . . . . . . 25684 6 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . 'Original number 1' 25684 6 2 1.0 . 'Original number 2' 25684 6 3 1.0 . 'Original number 4' 25684 6 4 1.0 . 'Original number 5' 25684 6 5 1.0 . 'Original number 6' 25684 6 6 1.0 . 'Original number 8' 25684 6 7 1.0 . 'Original number 11' 25684 6 8 1.0 . 'Original number 12' 25684 6 9 1.0 . 'Original number 13' 25684 6 10 1.0 . 'Original number 14' 25684 6 11 1.0 . 'Original number 15' 25684 6 12 1.0 . 'Original number 16' 25684 6 13 1.0 . 'Original number 20' 25684 6 14 1.0 . 'Original number 21' 25684 6 15 1.0 . 'Original number 31' 25684 6 16 1.0 . 'Original number 32' 25684 6 17 1.0 . 'Original number 33' 25684 6 18 1.0 . 'Original number 34' 25684 6 19 1.0 . 'Original number 35' 25684 6 20 1.0 . 'Original number 36' 25684 6 21 1.0 . 'Original number 37' 25684 6 22 1.0 . 'Original number 38' 25684 6 23 1.0 . 'Original number 39' 25684 6 24 1.0 . 'Original number 40' 25684 6 25 1.0 . 'Original number 47' 25684 6 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 2847561.75000 . height 25684 6 1 22066429.75000 . volume 25684 6 2 1599637.12500 . height 25684 6 2 12348915.00000 . volume 25684 6 3 1267220.50000 . height 25684 6 3 9445078.00000 . volume 25684 6 4 1655396.50000 . height 25684 6 4 11746141.87500 . volume 25684 6 5 1035269.62500 . height 25684 6 5 7997209.12500 . volume 25684 6 6 1409797.25000 . height 25684 6 6 10062117.25000 . volume 25684 6 7 2189853.25000 . height 25684 6 7 15576200.12500 . volume 25684 6 8 1939275.75000 . height 25684 6 8 14373971.62500 . volume 25684 6 9 2340683.00000 . height 25684 6 9 16402698.62500 . volume 25684 6 10 1504159.25000 . height 25684 6 10 11362037.75000 . volume 25684 6 11 1482331.75000 . height 25684 6 11 11926540.87500 . volume 25684 6 12 586510.81250 . height 25684 6 12 4888867.78125 . volume 25684 6 13 6090723.00000 . height 25684 6 13 46128325.75000 . volume 25684 6 14 1180599.62500 . height 25684 6 14 8364136.31250 . volume 25684 6 15 31573696.00000 . height 25684 6 15 239983188.00000 . volume 25684 6 16 13051134.00000 . height 25684 6 16 102176385.00000 . volume 25684 6 17 43222216.00000 . height 25684 6 17 296392120.00000 . volume 25684 6 18 117696736.00000 . height 25684 6 18 755448060.00000 . volume 25684 6 19 3879395.50000 . height 25684 6 19 28953407.50000 . volume 25684 6 20 1134936.50000 . height 25684 6 20 8165793.25000 . volume 25684 6 21 3629414.00000 . height 25684 6 21 25784784.75000 . volume 25684 6 22 1447082.87500 . height 25684 6 22 10821713.68750 . volume 25684 6 23 27195270.00000 . height 25684 6 23 203900930.00000 . volume 25684 6 24 76387496.00000 . height 25684 6 24 545538376.00000 . volume 25684 6 25 1984276.00000 . height 25684 6 25 13261418.12500 . volume 25684 6 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 10.183 . 13.04180477750 . . . . . . . . . . 2 25684 6 1 2 0.528 . 24.50798638160 . . . . . . . . . . 2 25684 6 2 1 10.184 . 11.47936563940 . . . . . . . . . . 2 25684 6 2 2 0.680 . 36.93904727700 . . . . . . . . . . 2 25684 6 3 1 10.630 . 12.12193456010 . . . . . . . . . . 2 25684 6 3 2 0.529 . 24.75944347680 . . . . . . . . . . 2 25684 6 4 1 10.630 . 8.69369250722 . . . . . . . . . . 2 25684 6 4 2 0.671 . 23.66350963710 . . . . . . . . . . 2 25684 6 5 1 10.185 . 10.44498640110 . . . . . . . . . . 2 25684 6 5 2 0.766 . 20.53636126220 . . . . . . . . . . 2 25684 6 6 1 10.184 . 9.85091901384 . . . . . . . . . . 2 25684 6 6 2 1.261 . 26.85980871320 . . . . . . . . . . 2 25684 6 7 1 10.632 . 9.71287954599 . . . . . . . . . . 2 25684 6 7 2 3.196 . 27.36691385510 . . . . . . . . . . 2 25684 6 8 1 10.631 . 10.05108060780 . . . . . . . . . . 2 25684 6 8 2 3.313 . 26.77598968150 . . . . . . . . . . 2 25684 6 9 1 10.182 . 9.57903102972 . . . . . . . . . . 2 25684 6 9 2 3.092 . 28.97554077210 . . . . . . . . . . 2 25684 6 10 1 10.184 . 11.20424713010 . . . . . . . . . . 2 25684 6 10 2 3.230 . 28.23164686560 . . . . . . . . . . 2 25684 6 11 1 10.717 . 12.43341830560 . . . . . . . . . . 2 25684 6 11 2 3.155 . 30.54575063290 . . . . . . . . . . 2 25684 6 12 1 10.717 . 11.65473076980 . . . . . . . . . . 2 25684 6 12 2 3.364 . 21.95779234170 . . . . . . . . . . 2 25684 6 13 1 10.183 . 12.32541399080 . . . . . . . . . . 2 25684 6 13 2 3.954 . 25.98529681560 . . . . . . . . . . 2 25684 6 14 1 10.183 . 8.67186463438 . . . . . . . . . . 2 25684 6 14 2 1.389 . 26.81650221350 . . . . . . . . . . 2 25684 6 15 1 10.716 . 21.05197927450 . . . . . . . . . . 2 25684 6 15 2 7.287 . 20.14241181310 . . . . . . . . . . 2 25684 6 16 1 10.716 . 20.87892789860 . . . . . . . . . . 2 25684 6 16 2 7.392 . 23.36106263100 . . . . . . . . . . 2 25684 6 17 1 10.632 . 11.07066054830 . . . . . . . . . . 2 25684 6 17 2 7.373 . 21.29073254760 . . . . . . . . . . 2 25684 6 18 1 10.632 . 11.06900162990 . . . . . . . . . . 2 25684 6 18 2 7.409 . 16.12363848840 . . . . . . . . . . 2 25684 6 19 1 10.632 . 10.57023473550 . . . . . . . . . . 2 25684 6 19 2 8.360 . 27.64875534920 . . . . . . . . . . 2 25684 6 20 1 10.184 . 10.21046773530 . . . . . . . . . . 2 25684 6 20 2 8.275 . 23.04447116330 . . . . . . . . . . 2 25684 6 21 1 10.184 . 11.36935316030 . . . . . . . . . . 2 25684 6 21 2 7.730 . 24.50693864380 . . . . . . . . . . 2 25684 6 22 1 10.184 . 11.57828955910 . . . . . . . . . . 2 25684 6 22 2 7.677 . 30.50663508470 . . . . . . . . . . 2 25684 6 23 1 10.184 . 12.91258377020 . . . . . . . . . . 2 25684 6 23 2 7.381 . 25.44920425860 . . . . . . . . . . 2 25684 6 24 1 10.184 . 12.58420525120 . . . . . . . . . . 2 25684 6 24 2 7.172 . 20.21226100620 . . . . . . . . . . 2 25684 6 25 1 10.185 . 10.44498640110 . . . . . . . . . . 2 25684 6 25 2 10.642 . 28.12490856740 . . . . . . . . . . 2 25684 6 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 10.183 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 1 2 1 . . 0.528 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 6 2 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 2 2 1 . . 0.680 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 6 3 1 1 . . 10.630 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 3 2 1 . . 0.529 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 6 4 1 1 . . 10.630 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 4 2 1 . . 0.671 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 6 5 1 1 . . 10.185 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 5 2 1 . . 0.766 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 6 5 2 2 . . 0.766 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 6 6 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 6 2 1 . . 1.261 . . 4 . 1 1 22 LEU HG . . . . . . . . . . 370 . 25684 6 7 1 1 . . 10.632 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 7 2 1 . . 3.196 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 6 8 1 1 . . 10.631 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 8 2 1 . . 3.313 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 6 9 1 1 . . 10.182 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 9 2 1 . . 3.092 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 6 10 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 10 2 1 . . 3.230 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 6 11 1 1 . . 10.717 . . 4 . 1 1 25 TRP HE1 . . . . . . . . . . 385 . 25684 6 11 2 1 . . 3.155 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 6 12 1 1 . . 10.717 . . 4 . 1 1 25 TRP HE1 . . . . . . . . . . 385 . 25684 6 12 2 1 . . 3.364 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 6 13 1 1 . . 10.183 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 13 2 1 . . 3.954 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 6 14 1 1 . . 10.183 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 14 2 1 . . 1.389 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 6 15 1 1 . . 10.716 . . 4 . 1 1 25 TRP HE1 . . . . . . . . . . 385 . 25684 6 15 2 1 . . 7.287 . . 4 . 1 1 25 TRP HD1 . . . . . . . . . . 390 . 25684 6 16 1 1 . . 10.716 . . 4 . 1 1 25 TRP HE1 . . . . . . . . . . 385 . 25684 6 16 2 1 . . 7.392 . . 4 . 1 1 25 TRP HZ2 . . . . . . . . . . 409 . 25684 6 17 1 1 . . 10.632 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 17 2 1 . . 7.373 . . 4 . 1 1 17 TRP HZ2 . . . . . . . . . . 392 . 25684 6 18 1 1 . . 10.632 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 18 2 1 . . 7.409 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 6 19 1 1 . . 10.632 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 19 2 1 . . 8.360 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 6 20 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 20 2 1 . . 8.275 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 6 21 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 21 2 1 . . 7.730 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 6 22 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 22 2 1 . . 7.677 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 6 23 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 23 2 1 . . 7.381 . . 4 . 1 1 21 TRP HZ2 . . . . . . . . . . 391 . 25684 6 24 1 1 . . 10.184 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 24 2 1 . . 7.172 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 6 25 1 1 . . 10.185 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 407 . 25684 6 25 2 1 . . 10.642 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 406 . 25684 6 stop_ save_ save_peak_list_1_2_3_4_5_6_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 7 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $wr18_39 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $2 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; cyana format, file /Volumes/CGI/Mac_10Sep2014/wr10_43/ccpnmr/NOESY_200ms_4.peaks. ; _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 11718.75 Hz . . . . . . 25684 7 2 . . H 1 1H . . 11718.75 Hz . . . . . . 25684 7 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . 'Original number 1' 25684 7 2 1.0 . 'Original number 2' 25684 7 3 1.0 . 'Original number 3' 25684 7 4 1.0 . 'Original number 4' 25684 7 5 1.0 . 'Original number 13' 25684 7 6 1.0 . 'Original number 14' 25684 7 7 1.0 . 'Original number 16' 25684 7 8 1.0 . 'Original number 18' 25684 7 9 1.0 . 'Original number 19' 25684 7 10 1.0 . 'Original number 20' 25684 7 11 1.0 . 'Original number 21' 25684 7 12 1.0 . 'Original number 22' 25684 7 13 1.0 . 'Original number 24' 25684 7 14 1.0 . 'Original number 25' 25684 7 15 1.0 . 'Original number 27' 25684 7 16 1.0 . 'Original number 38' 25684 7 17 1.0 . 'Original number 39' 25684 7 18 1.0 . 'Original number 40' 25684 7 19 1.0 . 'Original number 41' 25684 7 20 1.0 . 'Original number 42' 25684 7 21 1.0 . 'Original number 44' 25684 7 22 1.0 . 'Original number 45' 25684 7 23 1.0 . 'Original number 46' 25684 7 24 1.0 . 'Original number 48' 25684 7 25 1.0 . 'Original number 49' 25684 7 26 1.0 . 'Original number 50' 25684 7 27 1.0 . 'Original number 51' 25684 7 28 1.0 . 'Original number 52' 25684 7 29 1.0 . 'Original number 53' 25684 7 30 1.0 . 'Original number 54' 25684 7 31 1.0 . 'Original number 55' 25684 7 32 1.0 . 'Original number 57' 25684 7 33 1.0 . 'Original number 58' 25684 7 34 1.0 . 'Original number 59' 25684 7 35 1.0 . 'Original number 60' 25684 7 36 1.0 . 'Original number 61' 25684 7 37 1.0 . 'Original number 62' 25684 7 38 1.0 . 'Original number 63' 25684 7 39 1.0 . 'Original number 64' 25684 7 40 1.0 . 'Original number 65' 25684 7 41 1.0 . 'Original number 66' 25684 7 42 1.0 . 'Original number 68' 25684 7 43 1.0 . 'Original number 71' 25684 7 44 1.0 . 'Original number 72' 25684 7 45 1.0 . 'Original number 74' 25684 7 46 1.0 . 'Original number 75' 25684 7 47 1.0 . 'Original number 76' 25684 7 48 1.0 . 'Original number 77' 25684 7 49 1.0 . 'Original number 78' 25684 7 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 10077509.00 . height 25684 7 1 81789171.50 . volume 25684 7 2 6589545.50 . height 25684 7 2 52340191.50 . volume 25684 7 3 5120117.00 . height 25684 7 3 40860536.00 . volume 25684 7 4 5558398.00 . height 25684 7 4 44038428.75 . volume 25684 7 5 14651017.00 . height 25684 7 5 116377013.00 . volume 25684 7 6 10846335.00 . height 25684 7 6 85079100.00 . volume 25684 7 7 28430064.00 . height 25684 7 7 220560396.00 . volume 25684 7 8 16710960.00 . height 25684 7 8 131850632.00 . volume 25684 7 9 25661578.00 . height 25684 7 9 206179742.00 . volume 25684 7 10 7532202.50 . height 25684 7 10 58829254.00 . volume 25684 7 11 3227163.00 . height 25684 7 11 25063308.75 . volume 25684 7 12 6648053.00 . height 25684 7 12 53556045.00 . volume 25684 7 13 43975588.00 . height 25684 7 13 348372032.00 . volume 25684 7 14 7253291.00 . height 25684 7 14 58869142.50 . volume 25684 7 15 60124972.00 . height 25684 7 15 485906644.00 . volume 25684 7 16 13718938.00 . height 25684 7 16 115708836.00 . volume 25684 7 17 10683344.00 . height 25684 7 17 86169707.00 . volume 25684 7 18 41870744.00 . height 25684 7 18 314217436.00 . volume 25684 7 19 9005905.00 . height 25684 7 19 74102601.50 . volume 25684 7 20 26412254.00 . height 25684 7 20 210681090.00 . volume 25684 7 21 43160904.00 . height 25684 7 21 336891906.00 . volume 25684 7 22 66800796.00 . height 25684 7 22 537006192.00 . volume 25684 7 23 24066596.00 . height 25684 7 23 194313670.00 . volume 25684 7 24 62991008.00 . height 25684 7 24 497513876.00 . volume 25684 7 25 34578844.00 . height 25684 7 25 269674294.00 . volume 25684 7 26 26107906.00 . height 25684 7 26 213526628.00 . volume 25684 7 27 10522297.00 . height 25684 7 27 77495006.00 . volume 25684 7 28 11385360.00 . height 25684 7 28 87001492.00 . volume 25684 7 29 9323167.00 . height 25684 7 29 77999259.50 . volume 25684 7 30 14382296.00 . height 25684 7 30 122430362.00 . volume 25684 7 31 6319885.00 . height 25684 7 31 56465330.00 . volume 25684 7 32 11916642.00 . height 25684 7 32 99776179.00 . volume 25684 7 33 56633532.00 . height 25684 7 33 456000496.00 . volume 25684 7 34 21792410.00 . height 25684 7 34 172911178.00 . volume 25684 7 35 10116387.00 . height 25684 7 35 91564500.00 . volume 25684 7 36 9567995.00 . height 25684 7 36 79905403.50 . volume 25684 7 37 7036396.00 . height 25684 7 37 61533330.00 . volume 25684 7 38 15367262.00 . height 25684 7 38 135729540.00 . volume 25684 7 39 6003648.50 . height 25684 7 39 51411263.00 . volume 25684 7 40 2942382.00 . height 25684 7 40 25942390.75 . volume 25684 7 41 10771249.00 . height 25684 7 41 90122150.00 . volume 25684 7 42 7781570.00 . height 25684 7 42 61366465.50 . volume 25684 7 43 19097194.00 . height 25684 7 43 151911216.00 . volume 25684 7 44 7614244.50 . height 25684 7 44 61596718.50 . volume 25684 7 45 22399712.00 . height 25684 7 45 172654918.00 . volume 25684 7 46 8001896.50 . height 25684 7 46 62412814.00 . volume 25684 7 47 9027751.00 . height 25684 7 47 70836339.50 . volume 25684 7 48 12852860.00 . height 25684 7 48 99825316.00 . volume 25684 7 49 24995522.00 . height 25684 7 49 203847314.00 . volume 25684 7 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.355 . 17.4790620804 . . . . . . . . . . 2 25684 7 1 2 3.057 . 29.8954546452 . . . . . . . . . . 2 25684 7 2 1 8.355 . 16.5519886650 . . . . . . . . . . 2 25684 7 2 2 3.256 . 27.3480545729 . . . . . . . . . . 2 25684 7 3 1 8.076 . 17.0720159076 . . . . . . . . . . 2 25684 7 3 2 3.057 . 28.7827569991 . . . . . . . . . . 2 25684 7 4 1 8.076 . 16.0040217452 . . . . . . . . . . 2 25684 7 4 2 3.258 . 28.2281544060 . . . . . . . . . . 2 25684 7 5 1 8.053 . 17.7401234396 . . . . . . . . . . 2 25684 7 5 2 3.748 . 27.6798382401 . . . . . . . . . . 2 25684 7 6 1 8.053 . 17.8216723725 . . . . . . . . . . 2 25684 7 6 2 3.889 . 26.3568945229 . . . . . . . . . . 2 25684 7 7 1 8.053 . 17.3299340531 . . . . . . . . . . 2 25684 7 7 2 4.305 . 23.9058863372 . . . . . . . . . . 2 25684 7 8 1 8.052 . 17.0019920915 . . . . . . . . . . 2 25684 7 8 2 4.482 . 29.9268867821 . . . . . . . . . . 2 25684 7 9 1 8.053 . 18.0556671694 . . . . . . . . . . 2 25684 7 9 2 8.110 . 89.0771043487 . . . . . . . . . . 2 25684 7 10 1 8.053 . 18.2943767868 . . . . . . . . . . 2 25684 7 10 2 8.272 . 25.9163207375 . . . . . . . . . . 2 25684 7 11 1 8.053 . 20.2552182600 . . . . . . . . . . 2 25684 7 11 2 2.302 . 29.7781080008 . . . . . . . . . . 2 25684 7 12 1 8.052 . 18.4925738722 . . . . . . . . . . 2 25684 7 12 2 1.937 . 32.8563619405 . . . . . . . . . . 2 25684 7 13 1 8.125 . 14.9793340825 . . . . . . . . . . 2 25684 7 13 2 3.737 . 27.9766973108 . . . . . . . . . . 2 25684 7 14 1 8.356 . 17.7043257281 . . . . . . . . . . 2 25684 7 14 2 3.737 . 27.7245417237 . . . . . . . . . . 2 25684 7 15 1 8.125 . 15.7682807185 . . . . . . . . . . 2 25684 7 15 2 4.268 . 33.8251702487 . . . . . . . . . . 2 25684 7 16 1 8.108 . 18.4087548405 . . . . . . . . . . 2 25684 7 16 2 1.937 . 33.3725474775 . . . . . . . . . . 2 25684 7 17 1 8.107 . 17.0320272446 . . . . . . . . . . 2 25684 7 17 2 2.301 . 29.3687917292 . . . . . . . . . . 2 25684 7 18 1 8.266 . 17.7476322278 . . . . . . . . . . 2 25684 7 18 2 1.127 . 20.0229696929 . . . . . . . . . . 2 25684 7 19 1 8.266 . 17.9379712790 . . . . . . . . . . 2 25684 7 19 2 3.748 . 40.6571198255 . . . . . . . . . . 2 25684 7 20 1 8.266 . 17.9070630111 . . . . . . . . . . 2 25684 7 20 2 4.263 . 26.2437388301 . . . . . . . . . . 2 25684 7 21 1 8.266 . 16.9281265698 . . . . . . . . . . 2 25684 7 21 2 4.482 . 23.1857411563 . . . . . . . . . . 2 25684 7 22 1 8.108 . 19.8411871679 . . . . . . . . . . 2 25684 7 22 2 4.453 . 23.4162434936 . . . . . . . . . . 2 25684 7 23 1 8.107 . 20.6896802410 . . . . . . . . . . 2 25684 7 23 2 4.306 . 27.0819291472 . . . . . . . . . . 2 25684 7 24 1 8.076 . 18.6539255083 . . . . . . . . . . 2 25684 7 24 2 4.257 . 31.8631064147 . . . . . . . . . . 2 25684 7 25 1 8.076 . 16.4538505487 . . . . . . . . . . 2 25684 7 25 2 1.610 . 28.7289731205 . . . . . . . . . . 2 25684 7 26 1 8.076 . 17.3662556335 . . . . . . . . . . 2 25684 7 26 2 1.522 . 46.7018689960 . . . . . . . . . . 2 25684 7 27 1 8.076 . 17.6760368049 . . . . . . . . . . 2 25684 7 27 2 0.858 . 20.2807132155 . . . . . . . . . . 2 25684 7 28 1 8.076 . 18.0111383088 . . . . . . . . . . 2 25684 7 28 2 0.810 . 21.9396315515 . . . . . . . . . . 2 25684 7 29 1 8.080 . 16.2525102496 . . . . . . . . . . 2 25684 7 29 2 1.793 . 28.8183800876 . . . . . . . . . . 2 25684 7 30 1 8.081 . 16.7046091519 . . . . . . . . . . 2 25684 7 30 2 1.675 . 30.3753186017 . . . . . . . . . . 2 25684 7 31 1 8.081 . 20.8436977118 . . . . . . . . . . 2 25684 7 31 2 1.353 . 51.1764083058 . . . . . . . . . . 2 25684 7 32 1 8.081 . 17.0936691575 . . . . . . . . . . 2 25684 7 32 2 7.928 . 26.2547400780 . . . . . . . . . . 2 25684 7 33 1 7.923 . 15.8617040142 . . . . . . . . . . 2 25684 7 33 2 4.274 . 21.6329935938 . . . . . . . . . . 2 25684 7 34 1 8.356 . 17.0700950548 . . . . . . . . . . 2 25684 7 34 2 4.274 . 23.2758466154 . . . . . . . . . . 2 25684 7 35 1 7.923 . 19.5541069843 . . . . . . . . . . 2 25684 7 35 2 4.078 . 24.6630515903 . . . . . . . . . . 2 25684 7 36 1 7.923 . 15.9586197697 . . . . . . . . . . 2 25684 7 36 2 2.206 . 25.7010105997 . . . . . . . . . . 2 25684 7 37 1 7.923 . 16.8979167938 . . . . . . . . . . 2 25684 7 37 2 1.995 . 28.4265261143 . . . . . . . . . . 2 25684 7 38 1 7.923 . 16.8477999978 . . . . . . . . . . 2 25684 7 38 2 1.827 . 32.6056033373 . . . . . . . . . . 2 25684 7 39 1 7.924 . 16.6242825799 . . . . . . . . . . 2 25684 7 39 2 1.675 . 29.3988268822 . . . . . . . . . . 2 25684 7 40 1 7.923 . 15.8866751008 . . . . . . . . . . 2 25684 7 40 2 1.609 . 30.6400470436 . . . . . . . . . . 2 25684 7 41 1 7.923 . 16.7342950590 . . . . . . . . . . 2 25684 7 41 2 8.085 . 25.4013575613 . . . . . . . . . . 2 25684 7 42 1 8.355 . 17.9332564585 . . . . . . . . . . 2 25684 7 42 2 8.130 . 24.1367379203 . . . . . . . . . . 2 25684 7 43 1 8.267 . 17.3487933353 . . . . . . . . . . 2 25684 7 43 2 8.130 . 25.7696374319 . . . . . . . . . . 2 25684 7 44 1 8.266 . 17.9009512067 . . . . . . . . . . 2 25684 7 44 2 8.058 . 31.8910460919 . . . . . . . . . . 2 25684 7 45 1 8.126 . 14.2008648254 . . . . . . . . . . 2 25684 7 45 2 8.271 . 24.8619471677 . . . . . . . . . . 2 25684 7 46 1 8.126 . 14.6199599840 . . . . . . . . . . 2 25684 7 46 2 8.361 . 23.5809129663 . . . . . . . . . . 2 25684 7 47 1 8.073 . 15.5164743774 . . . . . . . . . . 2 25684 7 47 2 8.361 . 24.1826637648 . . . . . . . . . . 2 25684 7 48 1 8.355 . 17.7123583853 . . . . . . . . . . 2 25684 7 48 2 8.079 . 24.0162480623 . . . . . . . . . . 2 25684 7 49 1 8.108 . 26.4468253590 . . . . . . . . . . 2 25684 7 49 2 1.109 . 24.5303381234 . . . . . . . . . . 2 25684 7 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.355 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 1 2 1 . . 3.057 . . 4 . 1 1 32 HIS HB3 . . . . . . . . . . 259 . 25684 7 2 1 1 . . 8.355 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 2 2 1 . . 3.256 . . 4 . 1 1 32 HIS HB2 . . . . . . . . . . 258 . 25684 7 3 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 3 2 1 . . 3.057 . . 4 . 1 1 32 HIS HB3 . . . . . . . . . . 259 . 25684 7 4 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 4 2 1 . . 3.258 . . 4 . 1 1 32 HIS HB2 . . . . . . . . . . 258 . 25684 7 5 1 1 . . 8.053 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 5 2 1 . . 3.748 . . 4 . 1 1 29 SER HB3 . . . . . . . . . . 253 . 25684 7 6 1 1 . . 8.053 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 6 2 1 . . 3.889 . . 4 . 1 1 29 SER HB2 . . . . . . . . . . 252 . 25684 7 7 1 1 . . 8.053 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 7 2 1 . . 4.305 . . 4 . 1 1 28 THR HA . . . . . . . . . . 411 . 25684 7 8 1 1 . . 8.052 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 8 2 1 . . 4.482 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 7 9 1 1 . . 8.053 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 9 2 1 . . 8.110 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 7 10 1 1 . . 8.053 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 10 2 1 . . 8.272 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 11 1 1 . . 8.053 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 11 2 1 . . 2.302 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 7 11 2 2 . . 2.302 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 7 12 1 1 . . 8.052 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 12 2 1 . . 1.937 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 7 12 2 2 . . 1.937 . . 4 . 1 1 27 PRO HG2 . . . . . . . . . . 394 . 25684 7 13 1 1 . . 8.125 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 7 13 2 1 . . 3.737 . . 4 . 1 1 31 SER HB2 . . . . . . . . . . 291 . 25684 7 14 1 1 . . 8.356 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 14 2 1 . . 3.737 . . 4 . 1 1 31 SER HB2 . . . . . . . . . . 291 . 25684 7 15 1 1 . . 8.125 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 7 15 2 1 . . 4.268 . . 4 . 1 1 31 SER HA . . . . . . . . . . 326 . 25684 7 16 1 1 . . 8.108 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 7 16 2 1 . . 1.937 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 7 16 2 2 . . 1.937 . . 4 . 1 1 27 PRO HG2 . . . . . . . . . . 394 . 25684 7 17 1 1 . . 8.107 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 7 17 2 1 . . 2.301 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 7 17 2 2 . . 2.301 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 7 18 1 1 . . 8.266 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 18 2 1 . . 1.127 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 7 19 1 1 . . 8.266 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 19 2 1 . . 3.748 . . 4 . 1 1 29 SER HB3 . . . . . . . . . . 253 . 25684 7 20 1 1 . . 8.266 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 20 2 1 . . 4.263 . . 4 . 1 1 30 THR HA . . . . . . . . . . 325 . 25684 7 21 1 1 . . 8.266 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 21 2 1 . . 4.482 . . 4 . 1 1 29 SER HA . . . . . . . . . . 251 . 25684 7 22 1 1 . . 8.108 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 7 22 2 1 . . 4.453 . . 4 . 1 1 27 PRO HA . . . . . . . . . . 412 . 25684 7 23 1 1 . . 8.107 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 7 23 2 1 . . 4.306 . . 4 . 1 1 28 THR HA . . . . . . . . . . 411 . 25684 7 24 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 24 2 1 . . 4.257 . . 4 . 1 1 33 LEU HA . . . . . . . . . . 327 . 25684 7 25 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 25 2 1 . . 1.610 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 7 26 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 26 2 1 . . 1.522 . . 4 . 1 1 33 LEU HB2 . . . . . . . . . . 261 . 25684 7 27 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 27 2 1 . . 0.858 . . 4 . 1 1 33 LEU MD1 . . . . . . . . . . 264 . 25684 7 28 1 1 . . 8.076 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 28 2 1 . . 0.810 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 7 29 1 1 . . 8.080 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 7 29 2 1 . . 1.793 . . 4 . 1 1 34 LYS HB3 . . . . . . . . . . 273 . 25684 7 30 1 1 . . 8.081 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 7 30 2 1 . . 1.675 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 7 31 1 1 . . 8.081 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 7 31 2 1 . . 1.353 . . 4 . 1 1 34 LYS HG3 . . . . . . . . . . 269 . 25684 7 31 2 2 . . 1.353 . . 4 . 1 1 34 LYS HG2 . . . . . . . . . . 268 . 25684 7 32 1 1 . . 8.081 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 7 32 2 1 . . 7.928 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 33 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 33 2 1 . . 4.274 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 7 34 1 1 . . 8.356 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 34 2 1 . . 4.274 . . 4 . 1 1 34 LYS HA . . . . . . . . . . 266 . 25684 7 35 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 35 2 1 . . 4.078 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 7 36 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 36 2 1 . . 2.206 . . 4 . 1 1 35 GLU HG2 . . . . . . . . . . 277 . 25684 7 37 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 37 2 1 . . 1.995 . . 4 . 1 1 35 GLU HG3 . . . . . . . . . . 413 . 25684 7 38 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 38 2 1 . . 1.827 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 7 38 2 2 . . 1.827 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 7 39 1 1 . . 7.924 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 39 2 1 . . 1.675 . . 4 . 1 1 34 LYS HB2 . . . . . . . . . . 272 . 25684 7 40 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 40 2 1 . . 1.609 . . 4 . 1 1 33 LEU HB3 . . . . . . . . . . 262 . 25684 7 41 1 1 . . 7.923 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 7 41 2 1 . . 8.085 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 7 42 1 1 . . 8.355 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 42 2 1 . . 8.130 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 7 43 1 1 . . 8.267 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 43 2 1 . . 8.130 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 7 44 1 1 . . 8.266 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 44 2 1 . . 8.058 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 7 45 1 1 . . 8.126 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 7 45 2 1 . . 8.271 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 7 46 1 1 . . 8.126 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 7 46 2 1 . . 8.361 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 47 1 1 . . 8.073 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 47 2 1 . . 8.361 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 48 1 1 . . 8.355 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 7 48 2 1 . . 8.079 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 7 49 1 1 . . 8.108 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 7 49 2 1 . . 1.109 . . 4 . 1 1 28 THR MG . . . . . . . . . . 250 . 25684 7 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 8 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $wr18_39 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $2 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; cyana format, file /Volumes/CGI/Mac_10Sep2014/wr10_43/ccpnmr/NOESY_200ms_5.peaks. ; _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 11718.75 Hz . . . . . . 25684 8 2 . . H 1 1H . . 11718.75 Hz . . . . . . 25684 8 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . 'Original number 1' 25684 8 2 1.0 . 'Original number 2' 25684 8 3 1.0 . 'Original number 3' 25684 8 4 1.0 . 'Original number 4' 25684 8 5 1.0 . 'Original number 5' 25684 8 6 1.0 . 'Original number 6' 25684 8 7 1.0 . 'Original number 7' 25684 8 8 1.0 . 'Original number 8' 25684 8 9 1.0 . 'Original number 9' 25684 8 10 1.0 . 'Original number 10' 25684 8 11 1.0 . 'Original number 11' 25684 8 12 1.0 . 'Original number 12' 25684 8 13 1.0 . 'Original number 13' 25684 8 14 1.0 . 'Original number 14' 25684 8 15 1.0 . 'Original number 15' 25684 8 16 1.0 . 'Original number 17' 25684 8 17 1.0 . 'Original number 18' 25684 8 18 1.0 . 'Original number 19' 25684 8 19 1.0 . 'Original number 20' 25684 8 20 1.0 . 'Original number 21' 25684 8 21 1.0 . 'Original number 22' 25684 8 22 1.0 . 'Original number 23' 25684 8 23 1.0 . 'Original number 24' 25684 8 24 1.0 . 'Original number 25' 25684 8 25 1.0 . 'Original number 26' 25684 8 26 1.0 . 'Original number 28' 25684 8 27 1.0 . 'Original number 30' 25684 8 28 1.0 . 'Original number 31' 25684 8 29 1.0 . 'Original number 32' 25684 8 30 1.0 . 'Original number 33' 25684 8 31 1.0 . 'Original number 34' 25684 8 32 1.0 . 'Original number 35' 25684 8 33 1.0 . 'Original number 36' 25684 8 34 1.0 . 'Original number 37' 25684 8 35 1.0 . 'Original number 42' 25684 8 36 1.0 . 'Original number 43' 25684 8 37 1.0 . 'Original number 44' 25684 8 38 1.0 . 'Original number 45' 25684 8 39 1.0 . 'Original number 46' 25684 8 40 1.0 . 'Original number 50' 25684 8 41 1.0 . 'Original number 53' 25684 8 42 1.0 . 'Original number 54' 25684 8 43 1.0 . 'Original number 55' 25684 8 44 1.0 . 'Original number 56' 25684 8 45 1.0 . 'Original number 57' 25684 8 46 1.0 . 'Original number 59' 25684 8 47 1.0 . 'Original number 60' 25684 8 48 1.0 . 'Original number 62' 25684 8 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 2200867.750 . height 25684 8 1 17845407.500 . volume 25684 8 2 7421599.000 . height 25684 8 2 61400155.500 . volume 25684 8 3 4085420.500 . height 25684 8 3 33078709.250 . volume 25684 8 4 8663366.000 . height 25684 8 4 69827887.000 . volume 25684 8 5 2958596.500 . height 25684 8 5 23415301.250 . volume 25684 8 6 8211172.500 . height 25684 8 6 64108692.000 . volume 25684 8 7 2810247.750 . height 25684 8 7 18374341.625 . volume 25684 8 8 5320651.000 . height 25684 8 8 40410448.000 . volume 25684 8 9 40494648.000 . height 25684 8 9 331176338.000 . volume 25684 8 10 2972470.000 . height 25684 8 10 24386638.250 . volume 25684 8 11 2640403.000 . height 25684 8 11 21795267.500 . volume 25684 8 12 13394435.000 . height 25684 8 12 105908631.000 . volume 25684 8 13 13438678.000 . height 25684 8 13 103573027.000 . volume 25684 8 14 17022760.000 . height 25684 8 14 132296673.000 . volume 25684 8 15 19775460.000 . height 25684 8 15 164170030.000 . volume 25684 8 16 3812267.750 . height 25684 8 16 31362642.000 . volume 25684 8 17 1900173.375 . height 25684 8 17 16376190.250 . volume 25684 8 18 14006741.000 . height 25684 8 18 118225006.000 . volume 25684 8 19 6822586.500 . height 25684 8 19 57239823.000 . volume 25684 8 20 4681675.500 . height 25684 8 20 40818706.500 . volume 25684 8 21 3276141.000 . height 25684 8 21 27483443.000 . volume 25684 8 22 3146622.750 . height 25684 8 22 26550783.000 . volume 25684 8 23 6245800.000 . height 25684 8 23 52674332.500 . volume 25684 8 24 26595754.000 . height 25684 8 24 226849848.000 . volume 25684 8 25 43350392.000 . height 25684 8 25 371359460.000 . volume 25684 8 26 1977225.875 . height 25684 8 26 17605046.000 . volume 25684 8 27 9309623.000 . height 25684 8 27 77395431.000 . volume 25684 8 28 2538453.750 . height 25684 8 28 21971961.750 . volume 25684 8 29 4413604.500 . height 25684 8 29 36073394.750 . volume 25684 8 30 8016032.000 . height 25684 8 30 69144510.500 . volume 25684 8 31 6191926.000 . height 25684 8 31 51297873.500 . volume 25684 8 32 5198444.500 . height 25684 8 32 44751127.500 . volume 25684 8 33 9928585.000 . height 25684 8 33 81808849.500 . volume 25684 8 34 2026353.250 . height 25684 8 34 18352323.750 . volume 25684 8 35 8016676.500 . height 25684 8 35 67654470.000 . volume 25684 8 36 11084631.000 . height 25684 8 36 91609526.000 . volume 25684 8 37 62885572.000 . height 25684 8 37 515844020.000 . volume 25684 8 38 139821968.000 . height 25684 8 38 1106694184.000 . volume 25684 8 39 4260602.500 . height 25684 8 39 34960375.000 . volume 25684 8 40 74352504.000 . height 25684 8 40 625405800.000 . volume 25684 8 41 29812594.000 . height 25684 8 41 250152416.000 . volume 25684 8 42 3911349.250 . height 25684 8 42 31832865.250 . volume 25684 8 43 2782787.750 . height 25684 8 43 24255204.500 . volume 25684 8 44 2225821.250 . height 25684 8 44 19927048.000 . volume 25684 8 45 3048135.750 . height 25684 8 45 24387074.750 . volume 25684 8 46 1688805.750 . height 25684 8 46 15599531.125 . volume 25684 8 47 2534412.000 . height 25684 8 47 19950894.000 . volume 25684 8 48 2716680.250 . height 25684 8 48 22509053.750 . volume 25684 8 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 4.195 . 30.3257256746 . . . . . . . . . . 2 25684 8 1 2 0.699 . 26.9415322691 . . . . . . . . . . 2 25684 8 2 1 3.956 . 26.1696986854 . . . . . . . . . . 2 25684 8 2 2 0.531 . 24.1524539888 . . . . . . . . . . 2 25684 8 3 1 3.953 . 28.1939283013 . . . . . . . . . . 2 25684 8 3 2 0.675 . 29.4246710837 . . . . . . . . . . 2 25684 8 4 1 4.262 . 19.6478795260 . . . . . . . . . . 2 25684 8 4 2 1.127 . 25.6018247455 . . . . . . . . . . 2 25684 8 5 1 4.269 . 11.6808805615 . . . . . . . . . . 2 25684 8 5 2 3.735 . 32.4218999594 . . . . . . . . . . 2 25684 8 6 1 4.171 . 15.2578577399 . . . . . . . . . . 2 25684 8 6 2 1.177 . 24.2837704718 . . . . . . . . . . 2 25684 8 7 1 4.077 . 13.2455024868 . . . . . . . . . . 2 25684 8 7 2 1.996 . 28.6905560642 . . . . . . . . . . 2 25684 8 8 1 4.077 . 12.0894983411 . . . . . . . . . . 2 25684 8 8 2 1.826 . 33.1406481564 . . . . . . . . . . 2 25684 8 9 1 3.894 . 22.7694399655 . . . . . . . . . . 2 25684 8 9 2 3.751 . 33.2656782120 . . . . . . . . . . 2 25684 8 10 1 3.956 . 27.8949737549 . . . . . . . . . . 2 25684 8 10 2 1.391 . 32.0537947118 . . . . . . . . . . 2 25684 8 11 1 3.957 . 34.3420542777 . . . . . . . . . . 2 25684 8 11 2 1.263 . 32.2039704770 . . . . . . . . . . 2 25684 8 12 1 4.126 . 20.4322859645 . . . . . . . . . . 2 25684 8 12 2 1.133 . 23.2185702771 . . . . . . . . . . 2 25684 8 13 1 3.973 . 15.4604203999 . . . . . . . . . . 2 25684 8 13 2 1.177 . 22.5487165153 . . . . . . . . . . 2 25684 8 14 1 3.918 . 17.2178260982 . . . . . . . . . . 2 25684 8 14 2 1.132 . 24.4402326643 . . . . . . . . . . 2 25684 8 15 1 3.736 . 25.4921615124 . . . . . . . . . . 2 25684 8 15 2 1.939 . 32.7117741108 . . . . . . . . . . 2 25684 8 16 1 3.736 . 26.0041560978 . . . . . . . . . . 2 25684 8 16 2 2.299 . 53.8090243936 . . . . . . . . . . 2 25684 8 17 1 3.736 . 24.9131117016 . . . . . . . . . . 2 25684 8 17 2 2.710 . 26.5398994088 . . . . . . . . . . 2 25684 8 18 1 3.588 . 29.9031380564 . . . . . . . . . . 2 25684 8 18 2 3.159 . 32.4037391692 . . . . . . . . . . 2 25684 8 19 1 3.588 . 31.3636846840 . . . . . . . . . . 2 25684 8 19 2 1.614 . 31.6046644002 . . . . . . . . . . 2 25684 8 20 1 3.588 . 33.4242358804 . . . . . . . . . . 2 25684 8 20 2 1.368 . 37.8184486181 . . . . . . . . . . 2 25684 8 21 1 3.588 . 27.6581849903 . . . . . . . . . . 2 25684 8 21 2 1.263 . 35.3869982064 . . . . . . . . . . 2 25684 8 22 1 3.588 . 34.5334410667 . . . . . . . . . . 2 25684 8 22 2 0.764 . 30.4416753352 . . . . . . . . . . 2 25684 8 23 1 3.589 . 31.1052426696 . . . . . . . . . . 2 25684 8 23 2 0.701 . 30.6309666485 . . . . . . . . . . 2 25684 8 24 1 3.374 . 39.0778295696 . . . . . . . . . . 2 25684 8 24 2 3.159 . 38.5700259358 . . . . . . . . . . 2 25684 8 25 1 3.315 . 38.5330058634 . . . . . . . . . . 2 25684 8 25 2 3.196 . 34.9001493305 . . . . . . . . . . 2 25684 8 26 1 3.162 . 30.1867257804 . . . . . . . . . . 2 25684 8 26 2 2.269 . 27.2034667432 . . . . . . . . . . 2 25684 8 27 1 3.162 . 31.3580967486 . . . . . . . . . . 2 25684 8 27 2 1.614 . 30.7497102767 . . . . . . . . . . 2 25684 8 28 1 3.162 . 31.9748651236 . . . . . . . . . . 2 25684 8 28 2 1.517 . 76.5547156334 . . . . . . . . . . 2 25684 8 29 1 3.162 . 29.9799721688 . . . . . . . . . . 2 25684 8 29 2 1.471 . 64.6356493235 . . . . . . . . . . 2 25684 8 30 1 3.162 . 32.5217843056 . . . . . . . . . . 2 25684 8 30 2 1.368 . 34.2617277056 . . . . . . . . . . 2 25684 8 31 1 3.162 . 30.3012784570 . . . . . . . . . . 2 25684 8 31 2 1.262 . 32.8577589244 . . . . . . . . . . 2 25684 8 32 1 3.162 . 36.1623242497 . . . . . . . . . . 2 25684 8 32 2 0.766 . 29.5566860586 . . . . . . . . . . 2 25684 8 33 1 3.162 . 32.6531007886 . . . . . . . . . . 2 25684 8 33 2 0.699 . 27.7273356915 . . . . . . . . . . 2 25684 8 34 1 3.060 . 42.0715659857 . . . . . . . . . . 2 25684 8 34 2 0.808 . 24.4891270995 . . . . . . . . . . 2 25684 8 35 1 1.956 . 35.0943300873 . . . . . . . . . . 2 25684 8 35 2 1.368 . 34.8100438714 . . . . . . . . . . 2 25684 8 36 1 1.958 . 36.4668667316 . . . . . . . . . . 2 25684 8 36 2 1.615 . 31.1394687742 . . . . . . . . . . 2 25684 8 37 1 2.309 . 28.9867166430 . . . . . . . . . . 2 25684 8 37 2 1.937 . 33.2642812282 . . . . . . . . . . 2 25684 8 38 1 2.002 . 20.4246025532 . . . . . . . . . . 2 25684 8 38 2 1.830 . 25.5508348346 . . . . . . . . . . 2 25684 8 39 1 3.160 . 27.1706376225 . . . . . . . . . . 2 25684 8 39 2 1.952 . 31.3692726195 . . . . . . . . . . 2 25684 8 40 1 1.618 . 22.2839880735 . . . . . . . . . . 2 25684 8 40 2 1.369 . 38.6985484511 . . . . . . . . . . 2 25684 8 41 1 2.715 . 34.1618433595 . . . . . . . . . . 2 25684 8 41 2 2.268 . 30.5492430925 . . . . . . . . . . 2 25684 8 42 1 2.715 . 33.2908239216 . . . . . . . . . . 2 25684 8 42 2 0.767 . 27.9054511338 . . . . . . . . . . 2 25684 8 43 1 2.715 . 38.5532621294 . . . . . . . . . . 2 25684 8 43 2 0.699 . 35.3918876499 . . . . . . . . . . 2 25684 8 44 1 2.280 . 46.2639145553 . . . . . . . . . . 2 25684 8 44 2 0.698 . 38.0189158022 . . . . . . . . . . 2 25684 8 45 1 2.280 . 43.3777458966 . . . . . . . . . . 2 25684 8 45 2 0.767 . 27.0742457360 . . . . . . . . . . 2 25684 8 46 1 2.280 . 45.2420208603 . . . . . . . . . . 2 25684 8 46 2 1.368 . 41.4184760302 . . . . . . . . . . 2 25684 8 47 1 2.279 . 56.0148619115 . . . . . . . . . . 2 25684 8 47 2 1.613 . 27.1413009614 . . . . . . . . . . 2 25684 8 48 1 3.589 . 37.4377705157 . . . . . . . . . . 2 25684 8 48 2 1.473 . 70.1097305864 . . . . . . . . . . 2 25684 8 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 4.195 . . 4 . 1 1 22 LEU HA . . . . . . . . . . 387 . 25684 8 1 2 1 . . 0.699 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 8 2 1 1 . . 3.956 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 8 2 2 1 . . 0.531 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 8 3 1 1 . . 3.953 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 8 3 2 1 . . 0.675 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 8 4 1 1 . . 4.262 . . 4 . 1 1 30 THR HA . . . . . . . . . . 325 . 25684 8 4 2 1 . . 1.127 . . 4 . 1 1 30 THR MG . . . . . . . . . . 256 . 25684 8 5 1 1 . . 4.269 . . 4 . 1 1 31 SER HA . . . . . . . . . . 326 . 25684 8 5 2 1 . . 3.735 . . 4 . 1 1 31 SER HB2 . . . . . . . . . . 291 . 25684 8 6 1 1 . . 4.171 . . 4 . 1 1 24 THR HB . . . . . . . . . . 296 . 25684 8 6 2 1 . . 1.177 . . 4 . 1 1 24 THR MG . . . . . . . . . . 402 . 25684 8 7 1 1 . . 4.077 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 8 7 2 1 . . 1.996 . . 4 . 1 1 35 GLU HG3 . . . . . . . . . . 413 . 25684 8 8 1 1 . . 4.077 . . 4 . 1 1 35 GLU HA . . . . . . . . . . 274 . 25684 8 8 2 1 . . 1.826 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 8 8 2 2 . . 1.826 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 8 9 1 1 . . 3.894 . . 4 . 1 1 29 SER HB2 . . . . . . . . . . 252 . 25684 8 9 2 1 . . 3.751 . . 4 . 1 1 29 SER HB3 . . . . . . . . . . 253 . 25684 8 10 1 1 . . 3.956 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 8 10 2 1 . . 1.391 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 8 11 1 1 . . 3.957 . . 4 . 1 1 18 LEU HA . . . . . . . . . . 229 . 25684 8 11 2 1 . . 1.263 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 8 12 1 1 . . 4.126 . . 4 . 1 1 19 THR HB . . . . . . . . . . 314 . 25684 8 12 2 1 . . 1.133 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 8 13 1 1 . . 3.973 . . 4 . 1 1 24 THR HA . . . . . . . . . . 401 . 25684 8 13 2 1 . . 1.177 . . 4 . 1 1 24 THR MG . . . . . . . . . . 402 . 25684 8 14 1 1 . . 3.918 . . 4 . 1 1 19 THR HA . . . . . . . . . . 233 . 25684 8 14 2 1 . . 1.132 . . 4 . 1 1 19 THR MG . . . . . . . . . . 317 . 25684 8 15 1 1 . . 3.736 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 8 15 1 2 . . 3.736 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 8 15 2 1 . . 1.939 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 8 15 2 2 . . 1.939 . . 4 . 1 1 27 PRO HG2 . . . . . . . . . . 394 . 25684 8 16 1 1 . . 3.736 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 8 16 1 2 . . 3.736 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 8 16 2 1 . . 2.299 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 8 16 2 2 . . 2.299 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 8 17 1 1 . . 3.736 . . 4 . 1 1 27 PRO HD3 . . . . . . . . . . 357 . 25684 8 17 1 2 . . 3.736 . . 4 . 1 1 27 PRO HD2 . . . . . . . . . . 245 . 25684 8 17 2 1 . . 2.710 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 8 18 1 1 . . 3.588 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 18 1 2 . . 3.588 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 18 2 1 . . 3.159 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 19 1 1 . . 3.588 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 19 1 2 . . 3.588 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 19 2 1 . . 1.614 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 19 2 2 . . 1.614 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 20 1 1 . . 3.588 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 20 1 2 . . 3.588 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 20 2 1 . . 1.368 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 8 20 2 2 . . 1.368 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 8 21 1 1 . . 3.588 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 21 1 2 . . 3.588 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 21 2 1 . . 1.263 . . 4 . 1 1 22 LEU HG . . . . . . . . . . 370 . 25684 8 22 1 1 . . 3.588 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 22 1 2 . . 3.588 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 22 2 1 . . 0.764 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 8 22 2 2 . . 0.764 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 8 23 1 1 . . 3.589 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 23 1 2 . . 3.589 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 23 2 1 . . 0.701 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 8 24 1 1 . . 3.374 . . 4 . 1 1 25 TRP HB2 . . . . . . . . . . 242 . 25684 8 24 2 1 . . 3.159 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 25 1 1 . . 3.315 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 8 25 2 1 . . 3.196 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 8 26 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 26 2 1 . . 2.269 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 8 27 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 27 2 1 . . 1.614 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 27 2 2 . . 1.614 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 28 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 28 2 1 . . 1.517 . . 4 . 1 1 22 LEU HB3 . . . . . . . . . . 362 . 25684 8 29 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 29 2 1 . . 1.471 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 8 30 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 30 2 1 . . 1.368 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 8 30 2 2 . . 1.368 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 8 31 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 31 2 1 . . 1.262 . . 4 . 1 1 22 LEU HG . . . . . . . . . . 370 . 25684 8 32 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 32 2 1 . . 0.766 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 8 32 2 2 . . 0.766 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 8 33 1 1 . . 3.162 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 33 2 1 . . 0.699 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 8 34 1 1 . . 3.060 . . 4 . 1 1 32 HIS HB3 . . . . . . . . . . 259 . 25684 8 34 2 1 . . 0.808 . . 4 . 1 1 33 LEU MD2 . . . . . . . . . . 265 . 25684 8 35 1 1 . . 1.956 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 35 1 2 . . 1.956 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 35 2 1 . . 1.368 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 8 35 2 2 . . 1.368 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 8 36 1 1 . . 1.958 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 36 1 2 . . 1.958 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 36 2 1 . . 1.615 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 36 2 2 . . 1.615 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 37 1 1 . . 2.309 . . 4 . 1 1 27 PRO HB3 . . . . . . . . . . 247 . 25684 8 37 1 2 . . 2.309 . . 4 . 1 1 27 PRO HB2 . . . . . . . . . . 246 . 25684 8 37 2 1 . . 1.937 . . 4 . 1 1 27 PRO HG3 . . . . . . . . . . 395 . 25684 8 37 2 2 . . 1.937 . . 4 . 1 1 27 PRO HG2 . . . . . . . . . . 394 . 25684 8 38 1 1 . . 2.002 . . 4 . 1 1 35 GLU HG3 . . . . . . . . . . 413 . 25684 8 38 2 1 . . 1.830 . . 4 . 1 1 35 GLU HB3 . . . . . . . . . . 276 . 25684 8 38 2 2 . . 1.830 . . 4 . 1 1 35 GLU HB2 . . . . . . . . . . 275 . 25684 8 39 1 1 . . 3.160 . . 4 . 1 1 25 TRP HB3 . . . . . . . . . . 243 . 25684 8 39 2 1 . . 1.952 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 39 2 2 . . 1.952 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 40 1 1 . . 1.618 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 40 1 2 . . 1.618 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 40 2 1 . . 1.369 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 8 40 2 2 . . 1.369 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 8 41 1 1 . . 2.715 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 8 41 2 1 . . 2.268 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 8 42 1 1 . . 2.715 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 8 42 2 1 . . 0.767 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 8 42 2 2 . . 0.767 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 8 43 1 1 . . 2.715 . . 4 . 1 1 26 CYS HB2 . . . . . . . . . . 290 . 25684 8 43 2 1 . . 0.699 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 8 44 1 1 . . 2.280 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 8 44 2 1 . . 0.698 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 8 45 1 1 . . 2.280 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 8 45 2 1 . . 0.767 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 8 45 2 2 . . 0.767 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 8 46 1 1 . . 2.280 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 8 46 2 1 . . 1.368 . . 4 . 1 1 23 PRO HG2 . . . . . . . . . . 331 . 25684 8 46 2 2 . . 1.368 . . 4 . 1 1 23 PRO HG3 . . . . . . . . . . 342 . 25684 8 47 1 1 . . 2.279 . . 4 . 1 1 26 CYS HB3 . . . . . . . . . . 396 . 25684 8 47 2 1 . . 1.613 . . 4 . 1 1 23 PRO HB2 . . . . . . . . . . 372 . 25684 8 47 2 2 . . 1.613 . . 4 . 1 1 23 PRO HB3 . . . . . . . . . . 373 . 25684 8 48 1 1 . . 3.589 . . 4 . 1 1 23 PRO HD3 . . . . . . . . . . 388 . 25684 8 48 1 2 . . 3.589 . . 4 . 1 1 23 PRO HD2 . . . . . . . . . . 375 . 25684 8 48 2 1 . . 1.473 . . 4 . 1 1 22 LEU HB2 . . . . . . . . . . 309 . 25684 8 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 9 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $wr18_39 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $2 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; cyana format, file /Volumes/CGI/Mac_10Sep2014/wr10_43/ccpnmr/NOESY_200ms_6.peaks. ; _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 11718.75 Hz . . . . . . 25684 9 2 . . H 1 1H . . 11718.75 Hz . . . . . . 25684 9 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . 'Original number 1' 25684 9 2 1.0 . 'Original number 2' 25684 9 3 1.0 . 'Original number 3' 25684 9 4 1.0 . 'Original number 4' 25684 9 5 1.0 . 'Original number 5' 25684 9 6 1.0 . 'Original number 7' 25684 9 7 1.0 . 'Original number 8' 25684 9 8 1.0 . 'Original number 9' 25684 9 9 1.0 . 'Original number 10' 25684 9 10 1.0 . 'Original number 11' 25684 9 11 1.0 . 'Original number 12' 25684 9 12 1.0 . 'Original number 13' 25684 9 13 1.0 . 'Original number 14' 25684 9 14 1.0 . 'Original number 15' 25684 9 15 1.0 . 'Original number 16' 25684 9 16 1.0 . 'Original number 17' 25684 9 17 1.0 . 'Original number 18' 25684 9 18 1.0 . 'Original number 19' 25684 9 19 1.0 . 'Original number 20' 25684 9 20 1.0 . 'Original number 22' 25684 9 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 2259896.000 . height 25684 9 1 17056784.125 . volume 25684 9 2 2269223.250 . height 25684 9 2 18091388.500 . volume 25684 9 3 8182308.500 . height 25684 9 3 63711782.000 . volume 25684 9 4 9186619.000 . height 25684 9 4 70636152.000 . volume 25684 9 5 2315121.500 . height 25684 9 5 18805776.500 . volume 25684 9 6 3489491.750 . height 25684 9 6 29463883.000 . volume 25684 9 7 3361936.000 . height 25684 9 7 27967492.500 . volume 25684 9 8 11279039.000 . height 25684 9 8 89514078.000 . volume 25684 9 9 11108512.000 . height 25684 9 9 87976489.500 . volume 25684 9 10 10891087.000 . height 25684 9 10 81549519.000 . volume 25684 9 11 12260803.000 . height 25684 9 11 87443139.000 . volume 25684 9 12 10553473.000 . height 25684 9 12 73059444.500 . volume 25684 9 13 3393611.500 . height 25684 9 13 27054747.000 . volume 25684 9 14 5096278.000 . height 25684 9 14 40495583.750 . volume 25684 9 15 6396971.500 . height 25684 9 15 49866160.500 . volume 25684 9 16 6145651.500 . height 25684 9 16 44948482.250 . volume 25684 9 17 3253346.000 . height 25684 9 17 23042259.000 . volume 25684 9 18 2098633.750 . height 25684 9 18 17611833.625 . volume 25684 9 19 4807763.000 . height 25684 9 19 35200783.500 . volume 25684 9 20 1890770.875 . height 25684 9 20 15703446.500 . volume 25684 9 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.359 . 13.9452167787 . . . . . . . . . . 2 25684 9 1 2 0.675 . 27.0616728812 . . . . . . . . . . 2 25684 9 2 1 8.359 . 17.2871514224 . . . . . . . . . . 2 25684 9 2 2 0.529 . 27.7440994978 . . . . . . . . . . 2 25684 9 3 1 7.983 . 20.2655210160 . . . . . . . . . . 2 25684 9 3 2 0.672 . 24.7091520578 . . . . . . . . . . 2 25684 9 4 1 7.982 . 18.4827949852 . . . . . . . . . . 2 25684 9 4 2 0.528 . 23.9233486354 . . . . . . . . . . 2 25684 9 5 1 7.722 . 27.3057958111 . . . . . . . . . . 2 25684 9 5 2 0.527 . 27.1496828645 . . . . . . . . . . 2 25684 9 6 1 7.724 . 23.9949440584 . . . . . . . . . . 2 25684 9 6 2 0.700 . 41.0350039601 . . . . . . . . . . 2 25684 9 7 1 7.723 . 20.7176199183 . . . . . . . . . . 2 25684 9 7 2 0.766 . 27.0819291472 . . . . . . . . . . 2 25684 9 8 1 7.257 . 18.5962999240 . . . . . . . . . . 2 25684 9 8 2 0.700 . 28.1652901322 . . . . . . . . . . 2 25684 9 9 1 7.256 . 19.4512540475 . . . . . . . . . . 2 25684 9 9 2 0.765 . 25.6109051406 . . . . . . . . . . 2 25684 9 10 1 7.407 . 18.4737145901 . . . . . . . . . . 2 25684 9 10 2 0.674 . 30.0274696201 . . . . . . . . . . 2 25684 9 11 1 7.407 . 16.0813797265 . . . . . . . . . . 2 25684 9 11 2 0.528 . 25.4705082625 . . . . . . . . . . 2 25684 9 12 1 7.167 . 8.9833047241 . . . . . . . . . . 2 25684 9 12 2 0.529 . 25.5808699876 . . . . . . . . . . 2 25684 9 13 1 7.672 . 17.8398331627 . . . . . . . . . . 2 25684 9 13 2 0.764 . 24.1280067712 . . . . . . . . . . 2 25684 9 14 1 7.672 . 18.5575336218 . . . . . . . . . . 2 25684 9 14 2 0.675 . 32.9660251737 . . . . . . . . . . 2 25684 9 15 1 7.672 . 16.0590279847 . . . . . . . . . . 2 25684 9 15 2 0.528 . 25.2462923527 . . . . . . . . . . 2 25684 9 16 1 7.167 . 10.1689947769 . . . . . . . . . . 2 25684 9 16 2 0.675 . 36.3690778613 . . . . . . . . . . 2 25684 9 17 1 7.167 . 11.0354740173 . . . . . . . . . . 2 25684 9 17 2 0.763 . 25.4181213677 . . . . . . . . . . 2 25684 9 18 1 8.266 . 23.6996565945 . . . . . . . . . . 2 25684 9 18 2 0.764 . 27.9766973108 . . . . . . . . . . 2 25684 9 19 1 7.406 . 23.9666551352 . . . . . . . . . . 2 25684 9 19 2 0.764 . 28.8302544504 . . . . . . . . . . 2 25684 9 20 1 7.256 . 21.8554632738 . . . . . . . . . . 2 25684 9 20 2 0.529 . 24.9962322414 . . . . . . . . . . 2 25684 9 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.359 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 9 1 2 1 . . 0.675 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 9 2 1 1 . . 8.359 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 9 2 2 1 . . 0.529 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 3 1 1 . . 7.983 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 9 3 2 1 . . 0.672 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 9 4 1 1 . . 7.982 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 9 4 2 1 . . 0.528 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 5 1 1 . . 7.722 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 9 5 2 1 . . 0.527 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 6 1 1 . . 7.724 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 9 6 2 1 . . 0.700 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 9 7 1 1 . . 7.723 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 9 7 2 1 . . 0.766 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 9 7 2 2 . . 0.766 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 9 8 1 1 . . 7.257 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 9 8 2 1 . . 0.700 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 414 . 25684 9 9 1 1 . . 7.256 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 9 9 2 1 . . 0.765 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 9 9 2 2 . . 0.765 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 9 10 1 1 . . 7.407 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 9 10 2 1 . . 0.674 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 9 11 1 1 . . 7.407 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 9 11 2 1 . . 0.528 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 12 1 1 . . 7.167 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 9 12 2 1 . . 0.529 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 13 1 1 . . 7.672 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 9 13 2 1 . . 0.764 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 9 13 2 2 . . 0.764 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 9 14 1 1 . . 7.672 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 9 14 2 1 . . 0.675 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 9 15 1 1 . . 7.672 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 9 15 2 1 . . 0.528 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 16 1 1 . . 7.167 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 9 16 2 1 . . 0.675 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 9 17 1 1 . . 7.167 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 405 . 25684 9 17 2 1 . . 0.763 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 9 17 2 2 . . 0.763 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 9 18 1 1 . . 8.266 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 9 18 2 1 . . 0.764 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 9 18 2 2 . . 0.764 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 9 19 1 1 . . 7.406 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 403 . 25684 9 19 2 1 . . 0.764 . . 4 . 1 1 22 LEU MD1 . . . . . . . . . . 408 . 25684 9 19 2 2 . . 0.764 . . 4 . 1 1 22 LEU MD2 . . . . . . . . . . 410 . 25684 9 20 1 1 . . 7.256 . . 4 . 1 1 22 LEU H . . . . . . . . . . 158 . 25684 9 20 2 1 . . 0.529 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 341 . 25684 9 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10 _Spectral_peak_list.Entry_ID 25684 _Spectral_peak_list.ID 10 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $wr10_43_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . . 5580.35693359 Hz . . . . . . 25684 10 2 . . N 15 15N . . 1772.53698730 Hz . . . . . . 25684 10 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25684 10 2 1.0 . . 25684 10 3 1.0 . . 25684 10 4 1.0 . . 25684 10 5 1.0 . . 25684 10 6 1.0 . . 25684 10 7 1.0 . . 25684 10 8 1.0 . . 25684 10 9 1.0 . . 25684 10 10 1.0 . . 25684 10 11 1.0 . . 25684 10 12 1.0 . . 25684 10 13 1.0 . . 25684 10 14 1.0 . . 25684 10 15 1.0 . . 25684 10 16 1.0 . . 25684 10 17 1.0 . . 25684 10 18 1.0 . . 25684 10 19 1.0 . . 25684 10 20 1.0 . . 25684 10 21 1.0 . . 25684 10 22 1.0 . . 25684 10 23 1.0 . . 25684 10 24 1.0 . . 25684 10 25 1.0 . . 25684 10 26 1.0 . . 25684 10 27 1.0 . . 25684 10 28 1.0 . . 25684 10 29 1.0 . . 25684 10 30 1.0 . . 25684 10 31 1.0 . . 25684 10 32 1.0 . . 25684 10 33 1.0 . . 25684 10 34 1.0 . . 25684 10 35 1.0 . . 25684 10 36 1.0 . . 25684 10 37 1.0 . . 25684 10 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 90313.2500000 . height 25684 10 1 669508.8945310 . volume 25684 10 2 36800.1484375 . height 25684 10 2 286566.6640620 . volume 25684 10 3 417636.3750000 . height 25684 10 3 2569430.3593800 . volume 25684 10 4 864797.4375000 . height 25684 10 4 4608990.0625000 . volume 25684 10 5 2330669.7500000 . height 25684 10 5 10424585.3438000 . volume 25684 10 6 3932420.2500000 . height 25684 10 6 19577962.1094000 . volume 25684 10 7 3307607.7500000 . height 25684 10 7 17090858.9258000 . volume 25684 10 8 3997393.5000000 . height 25684 10 8 20292429.3125000 . volume 25684 10 9 3985081.7500000 . height 25684 10 9 16993036.1250000 . volume 25684 10 10 3075018.0000000 . height 25684 10 10 16751730.4062000 . volume 25684 10 11 3797184.2500000 . height 25684 10 11 19043436.7988000 . volume 25684 10 12 2688521.7500000 . height 25684 10 12 13023881.1250000 . volume 25684 10 13 3514139.0000000 . height 25684 10 13 15372329.3750000 . volume 25684 10 14 3620126.5000000 . height 25684 10 14 17407754.0000000 . volume 25684 10 15 3557370.0000000 . height 25684 10 15 17194578.7695000 . volume 25684 10 16 4173686.0000000 . height 25684 10 16 19418077.9375000 . volume 25684 10 17 664710.7500000 . height 25684 10 17 3968466.9375000 . volume 25684 10 18 1500294.5000000 . height 25684 10 18 7852347.8750000 . volume 25684 10 19 3411027.5000000 . height 25684 10 19 15967874.0625000 . volume 25684 10 20 2107511.5000000 . height 25684 10 20 11223448.5664000 . volume 25684 10 21 1064114.3750000 . height 25684 10 21 5697160.6250000 . volume 25684 10 22 1936440.0000000 . height 25684 10 22 9603539.6250000 . volume 25684 10 23 227624.5312500 . height 25684 10 23 1447864.2421900 . volume 25684 10 24 3033205.5000000 . height 25684 10 24 15061127.9219000 . volume 25684 10 25 3193726.5000000 . height 25684 10 25 14751563.0000000 . volume 25684 10 26 2209262.2500000 . height 25684 10 26 11726956.7656000 . volume 25684 10 27 2025077.3750000 . height 25684 10 27 10107639.5078000 . volume 25684 10 28 997161.2500000 . height 25684 10 28 6092788.8750000 . volume 25684 10 29 140965.4375000 . height 25684 10 29 1010542.1015600 . volume 25684 10 30 271068.6875000 . height 25684 10 30 1806958.6718800 . volume 25684 10 31 117835.9062500 . height 25684 10 31 869509.1406250 . volume 25684 10 32 76793.8750000 . height 25684 10 32 565639.2109380 . volume 25684 10 33 35564.3867188 . height 25684 10 33 280721.2246090 . volume 25684 10 34 1565056.3750000 . height 25684 10 34 9282912.1875000 . volume 25684 10 35 38467.0117188 . height 25684 10 35 333336.3378910 . volume 25684 10 36 25032.0078125 . height 25684 10 36 186129.9882810 . volume 25684 10 37 174457.9375000 . height 25684 10 37 1136376.7031200 . volume 25684 10 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.749 . 52.6293693331 . . . . . . . . . . 2 25684 10 1 2 119.274 . 24.5116617524 . . . . . . . . . . 2 25684 10 2 1 7.439 . 53.4342980996 . . . . . . . . . . 2 25684 10 2 2 120.432 . 25.1064265197 . . . . . . . . . . 2 25684 10 3 1 10.030 . 26.9759236697 . . . . . . . . . . 2 25684 10 3 2 129.173 . 16.7422003109 . . . . . . . . . . 2 25684 10 4 1 10.328 . 22.7006542898 . . . . . . . . . . 2 25684 10 4 2 129.872 . 13.7610733189 . . . . . . . . . . 2 25684 10 5 1 8.569 . 16.8270026011 . . . . . . . . . . 2 25684 10 5 2 119.619 . 11.8492841448 . . . . . . . . . . 2 25684 10 6 1 7.940 . 16.4814154158 . . . . . . . . . . 2 25684 10 6 2 127.795 . 13.9623789265 . . . . . . . . . . 2 25684 10 7 1 8.390 . 15.5038593643 . . . . . . . . . . 2 25684 10 7 2 125.737 . 14.9853885892 . . . . . . . . . . 2 25684 10 8 1 8.201 . 16.7767777070 . . . . . . . . . . 2 25684 10 8 2 124.672 . 13.9635278859 . . . . . . . . . . 2 25684 10 9 1 8.264 . 15.0964057532 . . . . . . . . . . 2 25684 10 9 2 124.163 . 12.4565686074 . . . . . . . . . . 2 25684 10 10 1 8.387 . 16.7225614305 . . . . . . . . . . 2 25684 10 10 2 123.609 . 14.8223684212 . . . . . . . . . . 2 25684 10 11 1 8.322 . 16.4857394133 . . . . . . . . . . 2 25684 10 11 2 122.524 . 13.7058968556 . . . . . . . . . . 2 25684 10 12 1 8.286 . 18.5176856258 . . . . . . . . . . 2 25684 10 12 2 122.166 . 12.2752707407 . . . . . . . . . . 2 25684 10 13 1 8.460 . 16.7588164865 . . . . . . . . . . 2 25684 10 13 2 122.293 . 11.2144246570 . . . . . . . . . . 2 25684 10 14 1 8.226 . 18.4375253643 . . . . . . . . . . 2 25684 10 14 2 120.988 . 12.6436244775 . . . . . . . . . . 2 25684 10 15 1 8.261 . 15.9874818546 . . . . . . . . . . 2 25684 10 15 2 119.567 . 13.9460953987 . . . . . . . . . . 2 25684 10 16 1 8.160 . 16.9221305462 . . . . . . . . . . 2 25684 10 16 2 118.889 . 12.9691365564 . . . . . . . . . . 2 25684 10 17 1 8.286 . 25.4660170023 . . . . . . . . . . 2 25684 10 17 2 117.677 . 15.9754482098 . . . . . . . . . . 2 25684 10 18 1 8.222 . 20.5007374049 . . . . . . . . . . 2 25684 10 18 2 117.746 . 13.7690235895 . . . . . . . . . . 2 25684 10 19 1 8.196 . 19.8614510045 . . . . . . . . . . 2 25684 10 19 2 116.317 . 11.5286848578 . . . . . . . . . . 2 25684 10 20 1 8.160 . 16.6806519162 . . . . . . . . . . 2 25684 10 20 2 115.680 . 14.7162943780 . . . . . . . . . . 2 25684 10 21 1 8.201 . 22.1860985866 . . . . . . . . . . 2 25684 10 21 2 115.410 . 14.1268650083 . . . . . . . . . . 2 25684 10 22 1 8.303 . 19.6329443671 . . . . . . . . . . 2 25684 10 22 2 115.064 . 13.4156195312 . . . . . . . . . . 2 25684 10 23 1 8.194 . 27.6083914588 . . . . . . . . . . 2 25684 10 23 2 113.615 . 17.0886974066 . . . . . . . . . . 2 25684 10 24 1 8.406 . 17.4370188646 . . . . . . . . . . 2 25684 10 24 2 107.583 . 13.9635278859 . . . . . . . . . . 2 25684 10 25 1 8.248 . 17.8351592503 . . . . . . . . . . 2 25684 10 25 2 108.433 . 12.8906375383 . . . . . . . . . . 2 25684 10 26 1 8.382 . 18.8077260739 . . . . . . . . . . 2 25684 10 26 2 108.755 . 14.4492075440 . . . . . . . . . . 2 25684 10 27 1 8.424 . 17.6192919902 . . . . . . . . . . 2 25684 10 27 2 110.213 . 14.1178846361 . . . . . . . . . . 2 25684 10 28 1 8.487 . 24.0713614991 . . . . . . . . . . 2 25684 10 28 2 110.661 . 16.3023337574 . . . . . . . . . . 2 25684 10 29 1 7.867 . 41.7914358927 . . . . . . . . . . 2 25684 10 29 2 119.279 . 22.1386248152 . . . . . . . . . . 2 25684 10 30 1 8.244 . 39.5742230178 . . . . . . . . . . 2 25684 10 30 2 121.301 . 36.2265044430 . . . . . . . . . . 2 25684 10 31 1 7.703 . 35.4078851135 . . . . . . . . . . 2 25684 10 31 2 111.191 . 24.4264010424 . . . . . . . . . . 2 25684 10 32 1 8.293 . 51.5287456603 . . . . . . . . . . 2 25684 10 32 2 109.749 . 23.9502300137 . . . . . . . . . . 2 25684 10 33 1 7.814 . 141.4901789970 . . . . . . . . . . 2 25684 10 33 2 111.291 . 27.4944131354 . . . . . . . . . . 2 25684 10 34 1 8.158 . 23.7031564807 . . . . . . . . . . 2 25684 10 34 2 123.242 . 13.4800669080 . . . . . . . . . . 2 25684 10 35 1 7.955 . 112.2330140280 . . . . . . . . . . 2 25684 10 35 2 119.055 . 30.9480529751 . . . . . . . . . . 2 25684 10 36 1 7.748 . 133.4648396260 . . . . . . . . . . 2 25684 10 36 2 121.041 . 25.4253882095 . . . . . . . . . . 2 25684 10 37 1 8.452 . 35.2834870314 . . . . . . . . . . 2 25684 10 37 2 120.590 . 17.5479642053 . . . . . . . . . . 2 25684 10 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.749 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 10 1 2 1 . . 119.274 . . 4 . 1 1 21 TRP N . . . . . . . . . . 4 . 25684 10 2 1 1 . . 7.439 . . 4 . 1 1 22 LEU H . . . . . . . . . . 5 . 25684 10 2 2 1 . . 120.432 . . 4 . 1 1 22 LEU N . . . . . . . . . . 6 . 25684 10 3 1 1 . . 10.030 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 10 3 2 1 . . 129.173 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 10 4 1 1 . . 10.328 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 10 4 2 1 . . 129.872 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 10 5 1 1 . . 8.569 . . 4 . 1 1 3 MET H . . . . . . . . . . 7 . 25684 10 5 2 1 . . 119.619 . . 4 . 1 1 3 MET N . . . . . . . . . . 8 . 25684 10 6 1 1 . . 7.940 . . 4 . 1 1 39 LYS H . . . . . . . . . . 31 . 25684 10 6 2 1 . . 127.795 . . 4 . 1 1 39 LYS N . . . . . . . . . . 32 . 25684 10 7 1 1 . . 8.390 . . 4 . 1 1 9 ALA H . . . . . . . . . . 15 . 25684 10 7 2 1 . . 125.737 . . 4 . 1 1 9 ALA N . . . . . . . . . . 16 . 25684 10 8 1 1 . . 8.201 . . 4 . 1 1 11 ALA H . . . . . . . . . . 37 . 25684 10 8 2 1 . . 124.672 . . 4 . 1 1 11 ALA N . . . . . . . . . . 38 . 25684 10 9 1 1 . . 8.264 . . 4 . 1 1 36 ALA H . . . . . . . . . . 19 . 25684 10 9 2 1 . . 124.163 . . 4 . 1 1 36 ALA N . . . . . . . . . . 20 . 25684 10 10 1 1 . . 8.387 . . 4 . 1 1 7 ASP H . . . . . . . . . . 35 . 25684 10 10 2 1 . . 123.609 . . 4 . 1 1 7 ASP N . . . . . . . . . . 36 . 25684 10 11 1 1 . . 8.322 . . 4 . 1 1 38 GLU H . . . . . . . . . . 41 . 25684 10 11 2 1 . . 122.524 . . 4 . 1 1 38 GLU N . . . . . . . . . . 42 . 25684 10 12 1 1 . . 8.286 . . 4 . 1 1 34 LYS H . . . . . . . . . . 29 . 25684 10 12 2 1 . . 122.166 . . 4 . 1 1 34 LYS N . . . . . . . . . . 30 . 25684 10 13 1 1 . . 8.460 . . 4 . 1 1 35 GLU H . . . . . . . . . . 39 . 25684 10 13 2 1 . . 122.293 . . 4 . 1 1 35 GLU N . . . . . . . . . . 40 . 25684 10 14 1 1 . . 8.226 . . 4 . 1 1 6 VAL H . . . . . . . . . . 11 . 25684 10 14 2 1 . . 120.988 . . 4 . 1 1 6 VAL N . . . . . . . . . . 12 . 25684 10 15 1 1 . . 8.261 . . 4 . 1 1 37 GLU H . . . . . . . . . . 43 . 25684 10 15 2 1 . . 119.567 . . 4 . 1 1 37 GLU N . . . . . . . . . . 44 . 25684 10 16 1 1 . . 8.160 . . 4 . 1 1 10 ASP H . . . . . . . . . . 9 . 25684 10 16 2 1 . . 118.889 . . 4 . 1 1 10 ASP N . . . . . . . . . . 10 . 25684 10 17 1 1 . . 8.286 . . 4 . 1 1 29 SER H . . . . . . . . . . 119 . 25684 10 17 2 1 . . 117.677 . . 4 . 1 1 29 SER N . . . . . . . . . . 118 . 25684 10 18 1 1 . . 8.222 . . 4 . 1 1 31 SER H . . . . . . . . . . 99 . 25684 10 18 2 1 . . 117.746 . . 4 . 1 1 31 SER N . . . . . . . . . . 98 . 25684 10 19 1 1 . . 8.196 . . 4 . 1 1 8 SER H . . . . . . . . . . 51 . 25684 10 19 2 1 . . 116.317 . . 4 . 1 1 8 SER N . . . . . . . . . . 52 . 25684 10 20 1 1 . . 8.160 . . 4 . 1 1 5 SER H . . . . . . . . . . 49 . 25684 10 20 2 1 . . 115.680 . . 4 . 1 1 5 SER N . . . . . . . . . . 50 . 25684 10 21 1 1 . . 8.201 . . 4 . 1 1 30 THR H . . . . . . . . . . 129 . 25684 10 21 2 1 . . 115.410 . . 4 . 1 1 30 THR N . . . . . . . . . . 128 . 25684 10 22 1 1 . . 8.303 . . 4 . 1 1 15 SER H . . . . . . . . . . 33 . 25684 10 22 2 1 . . 115.064 . . 4 . 1 1 15 SER N . . . . . . . . . . 34 . 25684 10 23 1 1 . . 8.194 . . 4 . 1 1 28 THR H . . . . . . . . . . 124 . 25684 10 23 2 1 . . 113.615 . . 4 . 1 1 28 THR N . . . . . . . . . . 123 . 25684 10 24 1 1 . . 8.406 . . 4 . 1 1 12 GLY H . . . . . . . . . . 47 . 25684 10 24 2 1 . . 107.583 . . 4 . 1 1 12 GLY N . . . . . . . . . . 48 . 25684 10 25 1 1 . . 8.248 . . 4 . 1 1 13 GLY H . . . . . . . . . . 45 . 25684 10 25 2 1 . . 108.433 . . 4 . 1 1 13 GLY N . . . . . . . . . . 46 . 25684 10 26 1 1 . . 8.382 . . 4 . 1 1 14 GLY H . . . . . . . . . . 13 . 25684 10 26 2 1 . . 108.755 . . 4 . 1 1 14 GLY N . . . . . . . . . . 14 . 25684 10 27 1 1 . . 8.424 . . 4 . 1 1 4 GLY H . . . . . . . . . . 25 . 25684 10 27 2 1 . . 110.213 . . 4 . 1 1 4 GLY N . . . . . . . . . . 26 . 25684 10 28 1 1 . . 8.487 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 10 28 2 1 . . 110.661 . . 4 . 1 1 16 GLY N . . . . . . . . . . 24 . 25684 10 29 1 1 . . 7.867 . . 4 . 1 1 18 LEU H . . . . . . . . . . 17 . 25684 10 29 2 1 . . 119.279 . . 4 . 1 1 18 LEU N . . . . . . . . . . 18 . 25684 10 30 1 1 . . 8.244 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 10 30 2 1 . . 121.301 . . 4 . 1 1 17 TRP N . . . . . . . . . . 22 . 25684 10 31 1 1 . . 7.703 . . 4 . 1 1 19 THR H . . . . . . . . . . 1 . 25684 10 31 2 1 . . 111.191 . . 4 . 1 1 19 THR N . . . . . . . . . . 2 . 25684 10 32 1 1 . . 8.293 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 10 32 2 1 . . 109.749 . . 4 . 1 1 20 GLY N . . . . . . . . . . 107 . 25684 10 33 1 1 . . 7.814 . . 4 . 1 1 24 THR H . . . . . . . . . . 318 . 25684 10 33 2 1 . . 111.291 . . 4 . 1 1 24 THR N . . . . . . . . . . 319 . 25684 10 34 1 1 . . 8.158 . . 4 . 1 1 33 LEU H . . . . . . . . . . 27 . 25684 10 34 2 1 . . 123.242 . . 4 . 1 1 33 LEU N . . . . . . . . . . 28 . 25684 10 35 1 1 . . 7.955 . . 4 . 1 1 26 CYS H . . . . . . . . . . 332 . 25684 10 35 2 1 . . 119.055 . . 4 . 1 1 26 CYS N . . . . . . . . . . 333 . 25684 10 36 1 1 . . 7.748 . . 4 . 1 1 25 TRP H . . . . . . . . . . 335 . 25684 10 36 2 1 . . 121.041 . . 4 . 1 1 25 TRP N . . . . . . . . . . 334 . 25684 10 37 1 1 . . 8.452 . . 4 . 1 1 32 HIS H . . . . . . . . . . 337 . 25684 10 37 2 1 . . 120.590 . . 4 . 1 1 32 HIS N . . . . . . . . . . 338 . 25684 10 stop_ save_