data_18863 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18863 _Entry.Title ; The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-27 _Entry.Accession_date 2012-11-27 _Entry.Last_release_date . _Entry.Original_release_date . _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 ; Structure of the hepatitis C virus (HCV) p7 protein as a monomeric hairpin, solved using a novel combination of chemical shift and nOe based methods in methanol. ; 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 Gary Thompson . S. . . 18863 2 Arnout Kalverda . P. . . 18863 3 Steven Griffin . D.C. . . 18863 4 Toshana Foster . L. . . 18863 5 G. Sthompson . . . . 18863 6 Jayakanth Kankanala . . . . 18863 7 Joseph Thompson . . . . 18863 8 Amy Barker . M. . . 18863 9 Dean Clarke . . . . 18863 10 Marko Noerenberg . . . . 18863 11 Arwen Pearson . R. . . 18863 12 David Rowlands . J. . . 18863 13 Steve Homans . W. . . 18863 14 Mark Harris . . . . 18863 15 Richard Foster . . . . 18863 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' . 18863 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Hepatitis C virus (HCV)' . 18863 'TRANSPORT PROTEIN' . 18863 antiviral . 18863 'ion channel' . 18863 nmr . 18863 p7 . 18863 structure . 18863 viroporin . 18863 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18863 spectral_peak_list 11 18863 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 278 18863 '15N chemical shifts' 78 18863 '1H chemical shifts' 412 18863 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 . . 2014-02-17 2012-11-27 update BMRB 'update entry citation' 18863 1 . . 2013-08-26 2012-11-27 original author 'original release' 18863 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18863 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24022996 _Citation.Full_citation . _Citation.Title ; Structure-guided design affirms inhibitors of hepatitis C virus p7 as a viable class of antivirals targeting virion release. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Hepatology _Citation.Journal_name_full 'Hepatology (Baltimore, Md.)' _Citation.Journal_volume 59 _Citation.Journal_issue 2 _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 408 _Citation.Page_last 422 _Citation.Year 2014 _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 Toshana Foster . L. . . 18863 1 2 Gary Thompson . S. . . 18863 1 3 Arnout Kalverda . P. . . 18863 1 4 Jayakanth Kankanala . . . . 18863 1 5 Matthew Bentham . . . . 18863 1 6 Laura Wetherill . F. . . 18863 1 7 Joseph Thompson . . . . 18863 1 8 Amy Barker . M. . . 18863 1 9 Dean Clarke . . . . 18863 1 10 Marko Noerenberg . . . . 18863 1 11 Arwen Pearson . R. . . 18863 1 12 David Rowlands . J. . . 18863 1 13 Steven Homans . W. . . 18863 1 14 Mark Harris . . . . 18863 1 15 Richard Foster . . . . 18863 1 16 Stephen Griffin . . . . 18863 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 18863 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural and functional characterisation of the hepititis C virus proteins p7, NS2-3 and NS5A ; _Citation.Status published _Citation.Type thesis _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution 'Leeds University' _Citation.Thesis_institution_city Leeds _Citation.Thesis_institution_country UK _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Toshana Foster . L. . . 18863 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18863 _Assembly.ID 1 _Assembly.Name MS1 _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 9058.5093 _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 p7 1 $p7 A . yes native no no . . . 18863 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p7 _Entity.Sf_category entity _Entity.Sf_framecode p7 _Entity.Entry_ID 18863 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p7 _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 ; GPLGSPEFAAMDYKDDDDKA LENLVVLNAASVAGAHGILS FLVFFCAAWYIKGRLAPGAA YAFYGVWPLLLLLLALPPRA YAAAAS ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RESIDUES 747-809' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9058.5093 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9WLK8_9HEPC . Q9WLK8 . . . . . . . . . . . . . . 18863 1 2 no BMRB 25178 . entity . . . . . 73.26 63 98.41 98.41 5.77e-32 . . . . 18863 1 3 no BMRB 25181 . entity . . . . . 73.26 63 98.41 98.41 5.77e-32 . . . . 18863 1 4 no PDB 2MTS . ; Three-dimensional Structure And Interaction Studies Of Hepatitis C Virus P7 In 1,2-dihexanoyl-sn-glycero-3-phosphocholine By So ; . . . . . 73.26 63 98.41 98.41 5.77e-32 . . . . 18863 1 5 no PDB 3ZD0 . ; The Solution Structure Of Monomeric Hepatitis C Virus P7 Yields Potent Inhibitors Of Virion Release ; . . . . . 100.00 86 100.00 100.00 6.23e-51 . . . . 18863 1 6 no DBJ BAA01583 . 'polyprotein precursor [Hepatitis C virus]' . . . . . 75.58 3010 96.92 98.46 8.91e-32 . . . . 18863 1 7 no DBJ BAA02756 . 'polyprotein precursor [Hepatitis C virus]' . . . . . 75.58 3010 96.92 98.46 1.05e-31 . . . . 18863 1 8 no EMBL CAH23571 . 'polyprotein, partial [Hepatitis C virus subtype 1b]' . . . . . 73.26 63 98.41 98.41 1.04e-32 . . . . 18863 1 9 no EMBL CAH23600 . 'polyprotein, partial [Hepatitis C virus subtype 1b]' . . . . . 73.26 63 98.41 98.41 8.94e-33 . . . . 18863 1 10 no EMBL CAK19390 . 'polyprotein, partial [Hepatitis C virus]' . . . . . 73.26 63 98.41 98.41 8.94e-33 . . . . 18863 1 11 no EMBL CDU41873 . 'protein p7, partial [Hepatitis C virus]' . . . . . 73.26 63 98.41 98.41 8.94e-33 . . . . 18863 1 12 no EMBL CDU41874 . 'protein p7, partial [Hepatitis C virus]' . . . . . 73.26 63 98.41 98.41 8.94e-33 . . . . 18863 1 13 no GB AAC15722 . 'polyprotein [Hepatitis C virus subtype 1b]' . . . . . 75.58 3010 96.92 98.46 8.49e-32 . . . . 18863 1 14 no GB AAC15723 . 'polyprotein [Hepatitis C virus subtype 1b]' . . . . . 75.58 3010 96.92 98.46 8.91e-32 . . . . 18863 1 15 no GB AAC15724 . 'polyprotein [Hepatitis C virus subtype 1b]' . . . . . 75.58 3010 96.92 98.46 8.33e-32 . . . . 18863 1 16 no GB AAC15725 . 'polyprotein [Hepatitis C virus subtype 1b]' . . . . . 75.58 3010 96.92 98.46 8.91e-32 . . . . 18863 1 17 no GB AAC15726 . 'polyprotein, partial [Hepatitis C virus]' . . . . . 75.58 2864 96.92 98.46 8.22e-32 . . . . 18863 1 18 no SP O92972 . ; RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; ; . . . . . 75.58 3010 96.92 98.46 8.91e-32 . . . . 18863 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 -17 GLY . 18863 1 2 -16 PRO . 18863 1 3 -15 LEU . 18863 1 4 -14 GLY . 18863 1 5 -13 SER . 18863 1 6 -12 PRO . 18863 1 7 -11 GLU . 18863 1 8 -10 PHE . 18863 1 9 -9 ALA . 18863 1 10 -8 ALA . 18863 1 11 -7 MET . 18863 1 12 -6 ASP . 18863 1 13 -5 TYR . 18863 1 14 -4 LYS . 18863 1 15 -3 ASP . 18863 1 16 -2 ASP . 18863 1 17 -1 ASP . 18863 1 18 0 ASP . 18863 1 19 1 LYS . 18863 1 20 2 ALA . 18863 1 21 3 LEU . 18863 1 22 4 GLU . 18863 1 23 5 ASN . 18863 1 24 6 LEU . 18863 1 25 7 VAL . 18863 1 26 8 VAL . 18863 1 27 9 LEU . 18863 1 28 10 ASN . 18863 1 29 11 ALA . 18863 1 30 12 ALA . 18863 1 31 13 SER . 18863 1 32 14 VAL . 18863 1 33 15 ALA . 18863 1 34 16 GLY . 18863 1 35 17 ALA . 18863 1 36 18 HIS . 18863 1 37 19 GLY . 18863 1 38 20 ILE . 18863 1 39 21 LEU . 18863 1 40 22 SER . 18863 1 41 23 PHE . 18863 1 42 24 LEU . 18863 1 43 25 VAL . 18863 1 44 26 PHE . 18863 1 45 27 PHE . 18863 1 46 28 CYS . 18863 1 47 29 ALA . 18863 1 48 30 ALA . 18863 1 49 31 TRP . 18863 1 50 32 TYR . 18863 1 51 33 ILE . 18863 1 52 34 LYS . 18863 1 53 35 GLY . 18863 1 54 36 ARG . 18863 1 55 37 LEU . 18863 1 56 38 ALA . 18863 1 57 39 PRO . 18863 1 58 40 GLY . 18863 1 59 41 ALA . 18863 1 60 42 ALA . 18863 1 61 43 TYR . 18863 1 62 44 ALA . 18863 1 63 45 PHE . 18863 1 64 46 TYR . 18863 1 65 47 GLY . 18863 1 66 48 VAL . 18863 1 67 49 TRP . 18863 1 68 50 PRO . 18863 1 69 51 LEU . 18863 1 70 52 LEU . 18863 1 71 53 LEU . 18863 1 72 54 LEU . 18863 1 73 55 LEU . 18863 1 74 56 LEU . 18863 1 75 57 ALA . 18863 1 76 58 LEU . 18863 1 77 59 PRO . 18863 1 78 60 PRO . 18863 1 79 61 ARG . 18863 1 80 62 ALA . 18863 1 81 63 TYR . 18863 1 82 64 ALA . 18863 1 83 65 ALA . 18863 1 84 66 ALA . 18863 1 85 67 ALA . 18863 1 86 68 SER . 18863 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 18863 1 . PRO 2 2 18863 1 . LEU 3 3 18863 1 . GLY 4 4 18863 1 . SER 5 5 18863 1 . PRO 6 6 18863 1 . GLU 7 7 18863 1 . PHE 8 8 18863 1 . ALA 9 9 18863 1 . ALA 10 10 18863 1 . MET 11 11 18863 1 . ASP 12 12 18863 1 . TYR 13 13 18863 1 . LYS 14 14 18863 1 . ASP 15 15 18863 1 . ASP 16 16 18863 1 . ASP 17 17 18863 1 . ASP 18 18 18863 1 . LYS 19 19 18863 1 . ALA 20 20 18863 1 . LEU 21 21 18863 1 . GLU 22 22 18863 1 . ASN 23 23 18863 1 . LEU 24 24 18863 1 . VAL 25 25 18863 1 . VAL 26 26 18863 1 . LEU 27 27 18863 1 . ASN 28 28 18863 1 . ALA 29 29 18863 1 . ALA 30 30 18863 1 . SER 31 31 18863 1 . VAL 32 32 18863 1 . ALA 33 33 18863 1 . GLY 34 34 18863 1 . ALA 35 35 18863 1 . HIS 36 36 18863 1 . GLY 37 37 18863 1 . ILE 38 38 18863 1 . LEU 39 39 18863 1 . SER 40 40 18863 1 . PHE 41 41 18863 1 . LEU 42 42 18863 1 . VAL 43 43 18863 1 . PHE 44 44 18863 1 . PHE 45 45 18863 1 . CYS 46 46 18863 1 . ALA 47 47 18863 1 . ALA 48 48 18863 1 . TRP 49 49 18863 1 . TYR 50 50 18863 1 . ILE 51 51 18863 1 . LYS 52 52 18863 1 . GLY 53 53 18863 1 . ARG 54 54 18863 1 . LEU 55 55 18863 1 . ALA 56 56 18863 1 . PRO 57 57 18863 1 . GLY 58 58 18863 1 . ALA 59 59 18863 1 . ALA 60 60 18863 1 . TYR 61 61 18863 1 . ALA 62 62 18863 1 . PHE 63 63 18863 1 . TYR 64 64 18863 1 . GLY 65 65 18863 1 . VAL 66 66 18863 1 . TRP 67 67 18863 1 . PRO 68 68 18863 1 . LEU 69 69 18863 1 . LEU 70 70 18863 1 . LEU 71 71 18863 1 . LEU 72 72 18863 1 . LEU 73 73 18863 1 . LEU 74 74 18863 1 . ALA 75 75 18863 1 . LEU 76 76 18863 1 . PRO 77 77 18863 1 . PRO 78 78 18863 1 . ARG 79 79 18863 1 . ALA 80 80 18863 1 . TYR 81 81 18863 1 . ALA 82 82 18863 1 . ALA 83 83 18863 1 . ALA 84 84 18863 1 . ALA 85 85 18863 1 . SER 86 86 18863 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 18863 _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 $p7 . 11103 organism . 'Hepatitis C virus' 'Hepatitis C virus' . . Viruses . Hepacivirus 'Hepatitis C virus' 1b 'j4 isolate' . . . . . . . . . p7 . 18863 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 18863 _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 $p7 . 'recombinant technology' 'Escherichia coli' 'ESCHERICHIA COLI' . . Escherichia coli BL21(DE3) pGEX-FLAGp7(j4) . . . . PGEX-FLAGP7(J4) . . 'Clarke et al., JBC 2006, PMID:17032656' 18863 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_methanol_H _Sample.Sf_category sample _Sample.Sf_framecode methanol_H _Sample.Entry_ID 18863 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'solvent was deuterated' _Sample.Aggregate_sample_number . _Sample.Solvent_system methanol _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 p7 'natural abundance' . . 1 $p7 . . 0.0005 . . mol/mol 0.0001 . . . 18863 3 stop_ save_ save_methanol_CN _Sample.Sf_category sample _Sample.Sf_framecode methanol_CN _Sample.Entry_ID 18863 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'solvent was deuterated' _Sample.Aggregate_sample_number . _Sample.Solvent_system methanol _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 p7 '[U-100% 13C; U-100% 15N]' . . 1 $p7 . . 0.0005 . . mol/mol 0.0001 . . . 18863 1 stop_ save_ save_methanol_N _Sample.Sf_category sample _Sample.Sf_framecode methanol_N _Sample.Entry_ID 18863 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'solvent was deuterated' _Sample.Aggregate_sample_number . _Sample.Solvent_system methanol _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 p7 '[U-100% 15N]' . . 1 $p7 . . 0.0005 . . mol/mol 0.0001 . . . 18863 2 stop_ save_ ####################### # Sample conditions # ####################### save_methanol_25c _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode methanol_25c _Sample_condition_list.Entry_ID 18863 _Sample_condition_list.ID 1 _Sample_condition_list.Details '100 percent methanol' 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' 0.000 1e-06 M 18863 1 pH 0.000 1e-06 pH 18863 1 pressure 1.000 0.03 atm 18863 1 temperature 298.000 0.1 K 18863 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 18863 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.2u3 _Software.DOI . _Software.Details 'Aria combined nOe assignment ans stucture calculation protocol' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nilges group, Institute Pasteur' ; Nilges Group Institut Pasteur Unite de Bioinformatique Structurale 25-28 rue du Dr Roux F-75724 Paris CEDEX 15 France ; http://aria.pasteur.fr/ 18863 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation nOe assignment' 18863 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18863 _Software.ID 2 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18863 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18863 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18863 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.1 _Software.DOI . _Software.Details 'CNS molecular dynamics package' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CNS Developers' 'J. W. Gibbs building, 260 Whitney Ave New Haven, CT 06520-8241' cns.csb.yale.edu/v1.1/ 18863 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'molecular synamics' 18863 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18863 _Software.ID 4 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.2 _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 18863 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID deposition 18863 4 stop_ save_ save_MEMBRANE_CS_ROSETTA-ARIA_2-2U3-CNS _Software.Sf_category software _Software.Sf_framecode MEMBRANE_CS_ROSETTA-ARIA_2-2U3-CNS _Software.Entry_ID 18863 _Software.ID 5 _Software.Type . _Software.Name MEMBRANE_CS_ROSETTA-ARIA_2-2U3-CNS _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 18863 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18863 5 stop_ save_ save_Rosetta_3 _Software.Sf_category software _Software.Sf_framecode Rosetta_3 _Software.Entry_ID 18863 _Software.ID 6 _Software.Type . _Software.Name Rosetta_3 _Software.Version 3 _Software.DOI . _Software.Details 'rosetta structure prediction software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'rosetta commons/ baker lab' ; rosetta commons c/o d baker University of Washington Molecular Engineering & Sciences 3946 W Stevens Wy NE Box 351655 Seattle, WA 98195 ; https://www.rosettacommons.org/ 18863 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 18863 6 stop_ save_ save_Talos _Software.Sf_category software _Software.Sf_framecode Talos _Software.Entry_ID 18863 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version 2007.068.09.0 _Software.DOI . _Software.Details 'Talos chemical shift based secondary structure prediction program' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'bax group' ; Ad Bax,Laboratory of Chemical Physics, NIDDK, NIH, Bldg 31, Rm 9A06 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 USA 301.496.3583 ; http://spin.niddk.nih.gov/NMRPipe/talos/#old%20talos 18863 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'secondary structure' 18863 7 stop_ save_ save_cs_rosetta _Software.Sf_category software _Software.Sf_framecode cs_rosetta _Software.Entry_ID 18863 _Software.ID 8 _Software.Type . _Software.Name CS-Rosetta _Software.Version 1.01 _Software.DOI . _Software.Details 'Chemical shift based structure calculation using rosetta' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'bax group' ; Ad Bax,Laboratory of Chemical Physics, NIDDK, NIH, Bldg 31, Rm 9A06 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 USA 301.496.3583 ; http://spin.niddk.nih.gov/bax/software/CSROSETTA/ 18863 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 18863 8 stop_ save_ save_structure_calculation_and_Noe_assignment _Method.Sf_category method _Method.Sf_framecode structure_calculation_and_Noe_assignment _Method.Entry_ID 18863 _Method.ID 1 _Method.Derivation_type . _Method.Details 'structure calculation and Noe assignment' _Method.Computer_ID . _Method.Computer_label . save_ save_assignment _Method.Sf_category method _Method.Sf_framecode assignment _Method.Entry_ID 18863 _Method.ID 2 _Method.Derivation_type . _Method.Details assignment _Method.Computer_ID . _Method.Computer_label . save_ save_structure_calculation_molecular_dynamics _Method.Sf_category method _Method.Sf_framecode structure_calculation_molecular_dynamics _Method.Entry_ID 18863 _Method.ID 3 _Method.Derivation_type . _Method.Details 'structure calculation molecular dynamics' _Method.Computer_ID . _Method.Computer_label . save_ save_deposition _Method.Sf_category method _Method.Sf_framecode deposition _Method.Entry_ID 18863 _Method.ID 4 _Method.Derivation_type . _Method.Details deposition _Method.Computer_ID . _Method.Computer_label . save_ save_ARIA_MEMBRANE_CS_ROSETTA _Method.Sf_category method _Method.Sf_framecode ARIA_MEMBRANE_CS_ROSETTA _Method.Entry_ID 18863 _Method.ID 5 _Method.Derivation_type . _Method.Details 'ARIA MEMBRANE CS ROSETTA' _Method.Computer_ID . _Method.Computer_label . save_ save_monte_carlo_protein_structure_prediction _Method.Sf_category method _Method.Sf_framecode monte_carlo_protein_structure_prediction _Method.Entry_ID 18863 _Method.ID 6 _Method.Derivation_type . _Method.Details 'monte carlo protein structure prediction' _Method.Computer_ID . _Method.Computer_label . save_ save_structural_restraints_from_phi_psi_angles _Method.Sf_category method _Method.Sf_framecode structural_restraints_from_phi_psi_angles _Method.Entry_ID 18863 _Method.ID 7 _Method.Derivation_type . _Method.Details 'structural restraints from phi psi angles' _Method.Computer_ID . _Method.Computer_label . save_ save_monte_carlo_protein_structure_calculation _Method.Sf_category method _Method.Sf_framecode monte_carlo_protein_structure_calculation _Method.Entry_ID 18863 _Method.ID 8 _Method.Derivation_type . _Method.Details 'monte carlo protein structure calculation' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 18863 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '600 room temperature probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number n/a _NMR_spectrometer.Field_strength 600 save_ save_750cp _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750cp _NMR_spectrometer.Entry_ID 18863 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '750 with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number n/a _NMR_spectrometer.Field_strength 750 save_ save_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500 _NMR_spectrometer.Entry_ID 18863 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details '500 room temperature probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number n/a _NMR_spectrometer.Field_strength 500 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 18863 _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 1 600 Varian UnityInova na 600 '600 room temperature probe' . . 18863 1 2 750cp Varian UnityInova na 750 '750 with cryoprobe' . . 18863 1 3 500 Varian UnityInova na 500 '500 room temperature probe' . . 18863 1 stop_ save_ save_600_triple_resonance_room_temperature _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 600_triple_resonance_room_temperature _NMR_spectrometer_probe.Entry_ID 18863 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details '600 HCN room temperature' _NMR_spectrometer_probe.Manufacturer varian _NMR_spectrometer_probe.Model n/a _NMR_spectrometer_probe.Serial_number n/a _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18863 1 stop_ save_ save_750_triple_resonance_cryoprobe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 750_triple_resonance_cryoprobe _NMR_spectrometer_probe.Entry_ID 18863 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details '750 HCN cryoprobe' _NMR_spectrometer_probe.Manufacturer varian _NMR_spectrometer_probe.Model n/a _NMR_spectrometer_probe.Serial_number n/a _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18863 2 stop_ save_ save_500_triple_reonance_room_temperature _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 500_triple_reonance_room_temperature _NMR_spectrometer_probe.Entry_ID 18863 _NMR_spectrometer_probe.ID 3 _NMR_spectrometer_probe.Details '500 HCN room temperature' _NMR_spectrometer_probe.Manufacturer varian _NMR_spectrometer_probe.Model n/a _NMR_spectrometer_probe.Serial_number n/a _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18863 3 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18863 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 2 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 4 '3D HNCACB' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 3 $500 3 $500_triple_reonance_room_temperature . . . . . . . . . . . . . . 18863 1 6 '3D HNCO' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 3 $500 3 $500_triple_reonance_room_temperature . . . . . . . . . . . . . . 18863 1 7 'hCcacoNH (hC_cacoNH.relayed)' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 9 'HNHA (H{[N]+[HA]})' no . . . . . . . . . . 2 $methanol_N isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 11 'hCCHtocsy (hC_CH.relayed)' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 3 $500 3 $500_triple_reonance_room_temperature . . . . . . . . . . . . . . 18863 1 12 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $methanol_H isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $methanol_H isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $methanol_H isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 17 'hbCBcgcdHD (hbCBcgcdHD)' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 18 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 3 $500 3 $500_triple_reonance_room_temperature . . . . . . . . . . . . . . 18863 1 19 '13C_HSQC_HCcaro (H[C[caro]])' no . . . . . . . . . . 1 $methanol_CN isotropic . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $methanol_N isotropic . . 1 $methanol_25c . . . 2 $750cp 2 $750_triple_resonance_cryoprobe . . . . . . . . . . . . . . 18863 1 21 13C_HSQC_HCCARO no . . . . . . . . . . 1 $methanol_CN solution . . 1 $methanol_25c . . . 1 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 22 15N_HSQC no . . . . . . . . . . 1 $methanol_CN solution . . 1 $methanol_25c . . . 4 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 1 23 HNCA no . . . . . . . . . . 1 $methanol_CN solution . . 1 $methanol_25c . . . 4 $600 1 $600_triple_resonance_room_temperature . . . . . . . . . . . . . . 18863 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 18863 _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 . . . . . 18863 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18863 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18863 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18863 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $methanol_25c _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 '3D HNCA' 1 $methanol_CN isotropic 18863 1 2 '2D 1H-15N HSQC/HMQC' 1 $methanol_CN isotropic 18863 1 3 '3D HN(CO)CA' 1 $methanol_CN isotropic 18863 1 4 '3D HNCACB' 1 $methanol_CN isotropic 18863 1 5 '3D CBCA(CO)NH' 1 $methanol_CN isotropic 18863 1 6 '3D HNCO' 1 $methanol_CN isotropic 18863 1 12 '2D 1H-13C HSQC/HMQC' 1 $methanol_CN isotropic 18863 1 15 '2D 1H-1H NOESY' 3 $methanol_H isotropic 18863 1 20 '3D 1H-15N NOESY' 2 $methanol_N isotropic 18863 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 2 2 PRO C C 13 176.672 0.298 . 1 . . 575 . . -16 PRO C . 18863 1 2 . 1 1 3 3 LEU H H 1 8.276 0.007 . 1 . . 37 . . -15 LEU H . 18863 1 3 . 1 1 3 3 LEU C C 13 177.985 0.298 . 1 . . 576 . . -15 LEU C . 18863 1 4 . 1 1 3 3 LEU CA C 13 56.624 0.073 . 1 . . 235 . . -15 LEU CA . 18863 1 5 . 1 1 3 3 LEU N N 15 121.285 0.025 . 1 . . 38 . . -15 LEU N . 18863 1 6 . 1 1 4 4 GLY H H 1 8.059 0.004 . 1 . . 157 . . -14 GLY H . 18863 1 7 . 1 1 4 4 GLY C C 13 174.678 0.298 . 1 . . 577 . . -14 GLY C . 18863 1 8 . 1 1 4 4 GLY CA C 13 46.200 0.073 . 1 . . 179 . . -14 GLY CA . 18863 1 9 . 1 1 4 4 GLY N N 15 107.315 0.017 . 1 . . 158 . . -14 GLY N . 18863 1 10 . 1 1 5 5 SER H H 1 8.121 0.004 . 1 . . 139 . . -13 SER H . 18863 1 11 . 1 1 5 5 SER CA C 13 58.908 0.073 . 1 . . 180 . . -13 SER CA . 18863 1 12 . 1 1 5 5 SER N N 15 115.312 0.021 . 1 . . 140 . . -13 SER N . 18863 1 13 . 1 1 6 6 PRO C C 13 178.976 0.298 . 1 . . 578 . . -12 PRO C . 18863 1 14 . 1 1 7 7 GLU H H 1 7.932 0.012 . 1 . . 127 . . -11 GLU H . 18863 1 15 . 1 1 7 7 GLU CA C 13 60.787 0.073 . 1 . . 236 . . -11 GLU CA . 18863 1 16 . 1 1 7 7 GLU N N 15 116.928 0.033 . 1 . . 128 . . -11 GLU N . 18863 1 17 . 1 1 8 8 PHE H H 1 7.623 0.011 . 1 . . 95 . . -10 PHE H . 18863 1 18 . 1 1 8 8 PHE C C 13 178.920 0.298 . 1 . . 579 . . -10 PHE C . 18863 1 19 . 1 1 8 8 PHE CA C 13 61.877 0.073 . 1 . . 237 . . -10 PHE CA . 18863 1 20 . 1 1 8 8 PHE N N 15 119.237 0.076 . 1 . . 96 . . -10 PHE N . 18863 1 21 . 1 1 9 9 ALA H H 1 8.020 0.008 . 1 . . 25 . . -9 ALA H . 18863 1 22 . 1 1 9 9 ALA C C 13 180.319 0.298 . 1 . . 582 . . -9 ALA C . 18863 1 23 . 1 1 9 9 ALA CA C 13 56.826 0.073 . 1 . . 238 . . -9 ALA CA . 18863 1 24 . 1 1 9 9 ALA N N 15 122.374 0.045 . 1 . . 26 . . -9 ALA N . 18863 1 25 . 1 1 10 10 ALA H H 1 8.247 0.002 . 1 . . 57 . . -8 ALA H . 18863 1 26 . 1 1 10 10 ALA C C 13 181.157 0.298 . 1 . . 581 . . -8 ALA C . 18863 1 27 . 1 1 10 10 ALA CA C 13 56.944 0.073 . 1 . . 239 . . -8 ALA CA . 18863 1 28 . 1 1 10 10 ALA N N 15 120.510 0.012 . 1 . . 58 . . -8 ALA N . 18863 1 29 . 1 1 11 11 MET H H 1 7.782 0.008 . 1 . . 117 . . -7 MET H . 18863 1 30 . 1 1 11 11 MET C C 13 177.449 0.298 . 1 . . 580 . . -7 MET C . 18863 1 31 . 1 1 11 11 MET CA C 13 60.079 0.073 . 1 . . 240 . . -7 MET CA . 18863 1 32 . 1 1 11 11 MET N N 15 117.782 0.085 . 1 . . 118 . . -7 MET N . 18863 1 33 . 1 1 12 12 ASP H H 1 8.187 0.006 . 1 . . 71 . . -6 ASP H . 18863 1 34 . 1 1 12 12 ASP CA C 13 57.823 0.073 . 1 . . 241 . . -6 ASP CA . 18863 1 35 . 1 1 12 12 ASP N N 15 120.169 0.09 . 1 . . 72 . . -6 ASP N . 18863 1 36 . 1 1 17 17 ASP H H 1 8.054 0.002 . 1 . . 228 . . -1 ASP H . 18863 1 37 . 1 1 17 17 ASP C C 13 179.639 0.298 . 1 . . 583 . . -1 ASP C . 18863 1 38 . 1 1 17 17 ASP CA C 13 63.262 0.073 . 1 . . 230 . . -1 ASP CA . 18863 1 39 . 1 1 17 17 ASP N N 15 120.632 0.033 . 1 . . 229 . . -1 ASP N . 18863 1 40 . 1 1 18 18 ASP H H 1 8.802 0.016 . 1 . . 49 . . 0 ASP H . 18863 1 41 . 1 1 18 18 ASP C C 13 178.853 0.298 . 1 . . 514 . . 0 ASP C . 18863 1 42 . 1 1 18 18 ASP CA C 13 63.418 0.073 . 1 . . 227 . . 0 ASP CA . 18863 1 43 . 1 1 18 18 ASP CB C 13 40.704 0.054 . 1 . . 595 . . 0 ASP CB . 18863 1 44 . 1 1 18 18 ASP N N 15 120.786 0.048 . 1 . . 50 . . 0 ASP N . 18863 1 45 . 1 1 19 19 LYS H H 1 8.402 0.012 . 1 . . 107 . . 1 LYS H . 18863 1 46 . 1 1 19 19 LYS C C 13 178.133 0.298 . 1 . . 517 . . 1 LYS C . 18863 1 47 . 1 1 19 19 LYS CA C 13 65.866 0.073 . 1 . . 226 . . 1 LYS CA . 18863 1 48 . 1 1 19 19 LYS N N 15 117.974 0.114 . 1 . . 108 . . 1 LYS N . 18863 1 49 . 1 1 20 20 ALA H H 1 8.306 0.021 . 1 . . 17 . . 2 ALA H . 18863 1 50 . 1 1 20 20 ALA HA H 1 4.034 0.018 . 1 . . 244 . . 2 ALA HA . 18863 1 51 . 1 1 20 20 ALA HB1 H 1 1.411 0.0 . 1 . . 245 . . 2 ALA HB1 . 18863 1 52 . 1 1 20 20 ALA HB2 H 1 1.411 0.0 . 1 . . 245 . . 2 ALA HB2 . 18863 1 53 . 1 1 20 20 ALA HB3 H 1 1.411 0.0 . 1 . . 245 . . 2 ALA HB3 . 18863 1 54 . 1 1 20 20 ALA C C 13 181.166 0.298 . 1 . . 518 . . 2 ALA C . 18863 1 55 . 1 1 20 20 ALA CA C 13 57.066 0.037 . 1 . . 225 . . 2 ALA CA . 18863 1 56 . 1 1 20 20 ALA CB C 13 19.302 0.054 . 1 . . 246 . . 2 ALA CB . 18863 1 57 . 1 1 20 20 ALA N N 15 122.859 0.049 . 1 . . 18 . . 2 ALA N . 18863 1 58 . 1 1 21 21 LEU H H 1 8.029 0.01 . 1 . . 99 . . 3 LEU H . 18863 1 59 . 1 1 21 21 LEU HA H 1 4.032 0.015 . 1 . . 247 . . 3 LEU HA . 18863 1 60 . 1 1 21 21 LEU HB2 H 1 1.711 0.02 . 1 . . 248 . . 3 LEU HB2 . 18863 1 61 . 1 1 21 21 LEU HB3 H 1 1.693 0.039 . 1 . . 250 . . 3 LEU HB3 . 18863 1 62 . 1 1 21 21 LEU HG H 1 1.739 0.022 . 1 . . 251 . . 3 LEU HG . 18863 1 63 . 1 1 21 21 LEU HD11 H 1 0.876 0.021 . 1 . . 253 . . 3 LEU HD11 . 18863 1 64 . 1 1 21 21 LEU HD12 H 1 0.876 0.021 . 1 . . 253 . . 3 LEU HD12 . 18863 1 65 . 1 1 21 21 LEU HD13 H 1 0.876 0.021 . 1 . . 253 . . 3 LEU HD13 . 18863 1 66 . 1 1 21 21 LEU HD21 H 1 0.821 0.021 . 1 . . 255 . . 3 LEU HD21 . 18863 1 67 . 1 1 21 21 LEU HD22 H 1 0.821 0.021 . 1 . . 255 . . 3 LEU HD22 . 18863 1 68 . 1 1 21 21 LEU HD23 H 1 0.821 0.021 . 1 . . 255 . . 3 LEU HD23 . 18863 1 69 . 1 1 21 21 LEU C C 13 180.035 0.298 . 1 . . 519 . . 3 LEU C . 18863 1 70 . 1 1 21 21 LEU CA C 13 59.761 0.068 . 1 . . 224 . . 3 LEU CA . 18863 1 71 . 1 1 21 21 LEU CB C 13 43.422 0.054 . 1 . . 249 . . 3 LEU CB . 18863 1 72 . 1 1 21 21 LEU CG C 13 28.650 0.041 . 1 . . 252 . . 3 LEU CG . 18863 1 73 . 1 1 21 21 LEU CD1 C 13 25.726 0.041 . 1 . . 254 . . 3 LEU CD1 . 18863 1 74 . 1 1 21 21 LEU CD2 C 13 25.228 0.041 . 1 . . 256 . . 3 LEU CD2 . 18863 1 75 . 1 1 21 21 LEU N N 15 118.765 0.043 . 1 . . 100 . . 3 LEU N . 18863 1 76 . 1 1 22 22 GLU H H 1 8.188 0.007 . 1 . . 87 . . 4 GLU H . 18863 1 77 . 1 1 22 22 GLU HA H 1 3.891 0.024 . 1 . . 468 . . 4 GLU HA . 18863 1 78 . 1 1 22 22 GLU HB2 H 1 2.166 0.021 . 1 . . 466 . . 4 GLU HB2 . 18863 1 79 . 1 1 22 22 GLU HB3 H 1 2.085 0.037 . 1 . . 597 . . 4 GLU HB3 . 18863 1 80 . 1 1 22 22 GLU HG2 H 1 2.195 0.004 . 1 . . 598 . . 4 GLU HG2 . 18863 1 81 . 1 1 22 22 GLU HG3 H 1 2.182 0.016 . 1 . . 599 . . 4 GLU HG3 . 18863 1 82 . 1 1 22 22 GLU C C 13 179.414 0.298 . 1 . . 520 . . 4 GLU C . 18863 1 83 . 1 1 22 22 GLU CA C 13 60.889 0.002 . 1 . . 223 . . 4 GLU CA . 18863 1 84 . 1 1 22 22 GLU CB C 13 29.526 0.054 . 1 . . 467 . . 4 GLU CB . 18863 1 85 . 1 1 22 22 GLU N N 15 119.423 0.11 . 1 . . 88 . . 4 GLU N . 18863 1 86 . 1 1 23 23 ASN H H 1 8.390 0.004 . 1 . . 101 . . 5 ASN H . 18863 1 87 . 1 1 23 23 ASN HA H 1 4.325 0.019 . 1 . . 257 . . 5 ASN HA . 18863 1 88 . 1 1 23 23 ASN HB2 H 1 3.029 0.008 . 1 . . 258 . . 5 ASN HB2 . 18863 1 89 . 1 1 23 23 ASN HB3 H 1 2.590 0.015 . 1 . . 260 . . 5 ASN HB3 . 18863 1 90 . 1 1 23 23 ASN HD21 H 1 7.528 0.006 . 1 . . 151 . . 5 ASN HD21 . 18863 1 91 . 1 1 23 23 ASN HD22 H 1 6.735 0.01 . 1 . . 153 . . 5 ASN HD22 . 18863 1 92 . 1 1 23 23 ASN C C 13 178.905 0.298 . 1 . . 521 . . 5 ASN C . 18863 1 93 . 1 1 23 23 ASN CA C 13 57.785 0.05 . 1 . . 233 . . 5 ASN CA . 18863 1 94 . 1 1 23 23 ASN CB C 13 39.525 0.012 . 1 . . 259 . . 5 ASN CB . 18863 1 95 . 1 1 23 23 ASN N N 15 118.452 0.141 . 1 . . 102 . . 5 ASN N . 18863 1 96 . 1 1 23 23 ASN ND2 N 15 108.404 0.061 . 1 . . 152 . . 5 ASN ND2 . 18863 1 97 . 1 1 24 24 LEU H H 1 7.950 0.006 . 1 . . 43 . . 6 LEU H . 18863 1 98 . 1 1 24 24 LEU HA H 1 4.020 0.016 . 1 . . 584 . . 6 LEU HA . 18863 1 99 . 1 1 24 24 LEU HB2 H 1 1.872 0.021 . 1 . . 601 . . 6 LEU HB2 . 18863 1 100 . 1 1 24 24 LEU HB3 H 1 1.816 0.021 . 1 . . 602 . . 6 LEU HB3 . 18863 1 101 . 1 1 24 24 LEU HG H 1 1.723 0.018 . 1 . . 603 . . 6 LEU HG . 18863 1 102 . 1 1 24 24 LEU HD11 H 1 0.870 0.01 . 1 . . 605 . . 6 LEU HD11 . 18863 1 103 . 1 1 24 24 LEU HD12 H 1 0.870 0.01 . 1 . . 605 . . 6 LEU HD12 . 18863 1 104 . 1 1 24 24 LEU HD13 H 1 0.870 0.01 . 1 . . 605 . . 6 LEU HD13 . 18863 1 105 . 1 1 24 24 LEU HD21 H 1 0.839 0.008 . 1 . . 607 . . 6 LEU HD21 . 18863 1 106 . 1 1 24 24 LEU HD22 H 1 0.839 0.008 . 1 . . 607 . . 6 LEU HD22 . 18863 1 107 . 1 1 24 24 LEU HD23 H 1 0.839 0.008 . 1 . . 607 . . 6 LEU HD23 . 18863 1 108 . 1 1 24 24 LEU C C 13 180.102 0.298 . 1 . . 523 . . 6 LEU C . 18863 1 109 . 1 1 24 24 LEU CA C 13 59.954 0.106 . 1 . . 232 . . 6 LEU CA . 18863 1 110 . 1 1 24 24 LEU CB C 13 43.540 0.085 . 1 . . 600 . . 6 LEU CB . 18863 1 111 . 1 1 24 24 LEU CG C 13 28.642 0.041 . 1 . . 604 . . 6 LEU CG . 18863 1 112 . 1 1 24 24 LEU CD1 C 13 25.335 0.041 . 1 . . 606 . . 6 LEU CD1 . 18863 1 113 . 1 1 24 24 LEU CD2 C 13 25.302 0.041 . 1 . . 608 . . 6 LEU CD2 . 18863 1 114 . 1 1 24 24 LEU N N 15 120.983 0.077 . 1 . . 44 . . 6 LEU N . 18863 1 115 . 1 1 25 25 VAL H H 1 8.144 0.008 . 1 . . 41 . . 7 VAL H . 18863 1 116 . 1 1 25 25 VAL HA H 1 3.607 0.009 . 1 . . 261 . . 7 VAL HA . 18863 1 117 . 1 1 25 25 VAL HB H 1 2.300 0.003 . 1 . . 262 . . 7 VAL HB . 18863 1 118 . 1 1 25 25 VAL HG11 H 1 1.056 0.011 . 1 . . 264 . . 7 VAL HG11 . 18863 1 119 . 1 1 25 25 VAL HG12 H 1 1.056 0.011 . 1 . . 264 . . 7 VAL HG12 . 18863 1 120 . 1 1 25 25 VAL HG13 H 1 1.056 0.011 . 1 . . 264 . . 7 VAL HG13 . 18863 1 121 . 1 1 25 25 VAL HG21 H 1 0.900 0.005 . 1 . . 266 . . 7 VAL HG21 . 18863 1 122 . 1 1 25 25 VAL HG22 H 1 0.900 0.005 . 1 . . 266 . . 7 VAL HG22 . 18863 1 123 . 1 1 25 25 VAL HG23 H 1 0.900 0.005 . 1 . . 266 . . 7 VAL HG23 . 18863 1 124 . 1 1 25 25 VAL CA C 13 68.709 0.009 . 1 . . 231 . . 7 VAL CA . 18863 1 125 . 1 1 25 25 VAL CB C 13 33.377 0.054 . 1 . . 263 . . 7 VAL CB . 18863 1 126 . 1 1 25 25 VAL CG1 C 13 24.319 0.041 . 1 . . 265 . . 7 VAL CG1 . 18863 1 127 . 1 1 25 25 VAL CG2 C 13 22.614 0.041 . 1 . . 267 . . 7 VAL CG2 . 18863 1 128 . 1 1 25 25 VAL N N 15 120.915 0.12 . 1 . . 42 . . 7 VAL N . 18863 1 129 . 1 1 26 26 VAL C C 13 179.182 0.298 . 1 . . 522 . . 8 VAL C . 18863 1 130 . 1 1 27 27 LEU H H 1 8.317 0.019 . 1 . . 45 . . 9 LEU H . 18863 1 131 . 1 1 27 27 LEU HA H 1 4.016 0.018 . 1 . . 585 . . 9 LEU HA . 18863 1 132 . 1 1 27 27 LEU HB2 H 1 1.787 0.021 . 1 . . 609 . . 9 LEU HB2 . 18863 1 133 . 1 1 27 27 LEU HB3 H 1 1.622 0.012 . 1 . . 611 . . 9 LEU HB3 . 18863 1 134 . 1 1 27 27 LEU HG H 1 1.617 0.021 . 1 . . 618 . . 9 LEU HG . 18863 1 135 . 1 1 27 27 LEU HD11 H 1 0.862 0.021 . 1 . . 614 . . 9 LEU HD11 . 18863 1 136 . 1 1 27 27 LEU HD12 H 1 0.862 0.021 . 1 . . 614 . . 9 LEU HD12 . 18863 1 137 . 1 1 27 27 LEU HD13 H 1 0.862 0.021 . 1 . . 614 . . 9 LEU HD13 . 18863 1 138 . 1 1 27 27 LEU HD21 H 1 0.808 0.021 . 1 . . 616 . . 9 LEU HD21 . 18863 1 139 . 1 1 27 27 LEU HD22 H 1 0.808 0.021 . 1 . . 616 . . 9 LEU HD22 . 18863 1 140 . 1 1 27 27 LEU HD23 H 1 0.808 0.021 . 1 . . 616 . . 9 LEU HD23 . 18863 1 141 . 1 1 27 27 LEU C C 13 181.007 0.298 . 1 . . 524 . . 9 LEU C . 18863 1 142 . 1 1 27 27 LEU CA C 13 59.809 0.073 . 1 . . 205 . . 9 LEU CA . 18863 1 143 . 1 1 27 27 LEU CB C 13 43.430 0.009 . 1 . . 610 . . 9 LEU CB . 18863 1 144 . 1 1 27 27 LEU CG C 13 28.853 0.041 . 1 . . 613 . . 9 LEU CG . 18863 1 145 . 1 1 27 27 LEU CD1 C 13 25.318 0.041 . 1 . . 615 . . 9 LEU CD1 . 18863 1 146 . 1 1 27 27 LEU CD2 C 13 25.305 0.041 . 1 . . 617 . . 9 LEU CD2 . 18863 1 147 . 1 1 27 27 LEU N N 15 120.973 0.036 . 1 . . 46 . . 9 LEU N . 18863 1 148 . 1 1 28 28 ASN H H 1 8.527 0.025 . 1 . . 61 . . 10 ASN H . 18863 1 149 . 1 1 28 28 ASN HA H 1 4.401 0.004 . 1 . . 268 . . 10 ASN HA . 18863 1 150 . 1 1 28 28 ASN HB2 H 1 2.900 0.001 . 1 . . 270 . . 10 ASN HB2 . 18863 1 151 . 1 1 28 28 ASN HB3 H 1 2.624 0.021 . 1 . . 619 . . 10 ASN HB3 . 18863 1 152 . 1 1 28 28 ASN HD21 H 1 7.524 0.021 . 1 . . 147 . . 10 ASN HD21 . 18863 1 153 . 1 1 28 28 ASN HD22 H 1 6.742 0.021 . 1 . . 149 . . 10 ASN HD22 . 18863 1 154 . 1 1 28 28 ASN C C 13 178.841 0.298 . 1 . . 525 . . 10 ASN C . 18863 1 155 . 1 1 28 28 ASN CA C 13 58.505 0.06 . 1 . . 204 . . 10 ASN CA . 18863 1 156 . 1 1 28 28 ASN CB C 13 40.370 0.067 . 1 . . 271 . . 10 ASN CB . 18863 1 157 . 1 1 28 28 ASN N N 15 120.287 0.15 . 1 . . 62 . . 10 ASN N . 18863 1 158 . 1 1 28 28 ASN ND2 N 15 108.891 0.002 . 1 . . 148 . . 10 ASN ND2 . 18863 1 159 . 1 1 29 29 ALA H H 1 8.517 0.031 . 1 . . 11 . . 11 ALA H . 18863 1 160 . 1 1 29 29 ALA HA H 1 3.983 0.016 . 1 . . 272 . . 11 ALA HA . 18863 1 161 . 1 1 29 29 ALA HB1 H 1 1.397 0.021 . 1 . . 274 . . 11 ALA HB1 . 18863 1 162 . 1 1 29 29 ALA HB2 H 1 1.397 0.021 . 1 . . 274 . . 11 ALA HB2 . 18863 1 163 . 1 1 29 29 ALA HB3 H 1 1.397 0.021 . 1 . . 274 . . 11 ALA HB3 . 18863 1 164 . 1 1 29 29 ALA C C 13 181.060 0.298 . 1 . . 526 . . 11 ALA C . 18863 1 165 . 1 1 29 29 ALA CA C 13 57.268 0.069 . 1 . . 203 . . 11 ALA CA . 18863 1 166 . 1 1 29 29 ALA CB C 13 19.354 0.054 . 1 . . 275 . . 11 ALA CB . 18863 1 167 . 1 1 29 29 ALA N N 15 123.441 0.144 . 1 . . 12 . . 11 ALA N . 18863 1 168 . 1 1 30 30 ALA H H 1 8.569 0.014 . 1 . . 47 . . 12 ALA H . 18863 1 169 . 1 1 30 30 ALA HA H 1 4.016 0.022 . 1 . . 289 . . 12 ALA HA . 18863 1 170 . 1 1 30 30 ALA HB1 H 1 1.476 0.018 . 1 . . 380 . . 12 ALA HB1 . 18863 1 171 . 1 1 30 30 ALA HB2 H 1 1.476 0.018 . 1 . . 380 . . 12 ALA HB2 . 18863 1 172 . 1 1 30 30 ALA HB3 H 1 1.476 0.018 . 1 . . 380 . . 12 ALA HB3 . 18863 1 173 . 1 1 30 30 ALA C C 13 181.423 0.298 . 1 . . 527 . . 12 ALA C . 18863 1 174 . 1 1 30 30 ALA CA C 13 56.875 0.091 . 1 . . 202 . . 12 ALA CA . 18863 1 175 . 1 1 30 30 ALA CB C 13 19.302 0.054 . 1 . . 381 . . 12 ALA CB . 18863 1 176 . 1 1 30 30 ALA N N 15 120.909 0.158 . 1 . . 48 . . 12 ALA N . 18863 1 177 . 1 1 31 31 SER H H 1 8.178 0.02 . 1 . . 137 . . 13 SER H . 18863 1 178 . 1 1 31 31 SER HA H 1 4.151 0.005 . 1 . . 276 . . 13 SER HA . 18863 1 179 . 1 1 31 31 SER HB2 H 1 4.011 0.035 . 1 . . 278 . . 13 SER HB2 . 18863 1 180 . 1 1 31 31 SER HB3 H 1 4.083 0.003 . 1 . . 280 . . 13 SER HB3 . 18863 1 181 . 1 1 31 31 SER C C 13 177.982 0.298 . 1 . . 528 . . 13 SER C . 18863 1 182 . 1 1 31 31 SER CA C 13 63.765 0.055 . 1 . . 201 . . 13 SER CA . 18863 1 183 . 1 1 31 31 SER CB C 13 64.733 0.01 . 1 . . 279 . . 13 SER CB . 18863 1 184 . 1 1 31 31 SER N N 15 115.954 0.027 . 1 . . 138 . . 13 SER N . 18863 1 185 . 1 1 32 32 VAL H H 1 8.134 0.011 . 1 . . 15 . . 14 VAL H . 18863 1 186 . 1 1 32 32 VAL HA H 1 3.627 0.023 . 1 . . 283 . . 14 VAL HA . 18863 1 187 . 1 1 32 32 VAL HB H 1 2.135 0.005 . 1 . . 281 . . 14 VAL HB . 18863 1 188 . 1 1 32 32 VAL HG11 H 1 1.036 0.007 . 1 . . 382 . . 14 VAL HG11 . 18863 1 189 . 1 1 32 32 VAL HG12 H 1 1.036 0.007 . 1 . . 382 . . 14 VAL HG12 . 18863 1 190 . 1 1 32 32 VAL HG13 H 1 1.036 0.007 . 1 . . 382 . . 14 VAL HG13 . 18863 1 191 . 1 1 32 32 VAL HG21 H 1 0.883 0.003 . 1 . . 384 . . 14 VAL HG21 . 18863 1 192 . 1 1 32 32 VAL HG22 H 1 0.883 0.003 . 1 . . 384 . . 14 VAL HG22 . 18863 1 193 . 1 1 32 32 VAL HG23 H 1 0.883 0.003 . 1 . . 384 . . 14 VAL HG23 . 18863 1 194 . 1 1 32 32 VAL C C 13 179.493 0.298 . 1 . . 529 . . 14 VAL C . 18863 1 195 . 1 1 32 32 VAL CA C 13 68.318 0.073 . 1 . . 284 . . 14 VAL CA . 18863 1 196 . 1 1 32 32 VAL CB C 13 33.665 0.028 . 1 . . 282 . . 14 VAL CB . 18863 1 197 . 1 1 32 32 VAL CG1 C 13 24.305 0.041 . 1 . . 383 . . 14 VAL CG1 . 18863 1 198 . 1 1 32 32 VAL CG2 C 13 22.725 0.041 . 1 . . 385 . . 14 VAL CG2 . 18863 1 199 . 1 1 32 32 VAL N N 15 123.007 0.108 . 1 . . 16 . . 14 VAL N . 18863 1 200 . 1 1 33 33 ALA H H 1 8.302 0.008 . 1 . . 9 . . 15 ALA H . 18863 1 201 . 1 1 33 33 ALA HA H 1 4.059 0.059 . 1 . . 285 . . 15 ALA HA . 18863 1 202 . 1 1 33 33 ALA HB1 H 1 1.475 0.014 . 1 . . 386 . . 15 ALA HB1 . 18863 1 203 . 1 1 33 33 ALA HB2 H 1 1.475 0.014 . 1 . . 386 . . 15 ALA HB2 . 18863 1 204 . 1 1 33 33 ALA HB3 H 1 1.475 0.014 . 1 . . 386 . . 15 ALA HB3 . 18863 1 205 . 1 1 33 33 ALA C C 13 182.100 0.298 . 1 . . 530 . . 15 ALA C . 18863 1 206 . 1 1 33 33 ALA CA C 13 57.170 0.065 . 1 . . 195 . . 15 ALA CA . 18863 1 207 . 1 1 33 33 ALA CB C 13 19.488 0.054 . 1 . . 387 . . 15 ALA CB . 18863 1 208 . 1 1 33 33 ALA N N 15 123.545 0.182 . 1 . . 10 . . 15 ALA N . 18863 1 209 . 1 1 34 34 GLY H H 1 8.616 0.02 . 1 . . 155 . . 16 GLY H . 18863 1 210 . 1 1 34 34 GLY HA2 H 1 3.834 0.017 . 1 . . 298 . . 16 GLY HA2 . 18863 1 211 . 1 1 34 34 GLY HA3 H 1 3.829 0.025 . 1 . . 485 . . 16 GLY HA3 . 18863 1 212 . 1 1 34 34 GLY C C 13 176.822 0.298 . 1 . . 531 . . 16 GLY C . 18863 1 213 . 1 1 34 34 GLY CA C 13 48.448 0.006 . 1 . . 299 . . 16 GLY CA . 18863 1 214 . 1 1 34 34 GLY N N 15 107.470 0.064 . 1 . . 156 . . 16 GLY N . 18863 1 215 . 1 1 35 35 ALA H H 1 8.328 0.012 . 1 . . 5 . . 17 ALA H . 18863 1 216 . 1 1 35 35 ALA HA H 1 4.083 0.015 . 1 . . 292 . . 17 ALA HA . 18863 1 217 . 1 1 35 35 ALA HB1 H 1 1.493 0.004 . 1 . . 389 . . 17 ALA HB1 . 18863 1 218 . 1 1 35 35 ALA HB2 H 1 1.493 0.004 . 1 . . 389 . . 17 ALA HB2 . 18863 1 219 . 1 1 35 35 ALA HB3 H 1 1.493 0.004 . 1 . . 389 . . 17 ALA HB3 . 18863 1 220 . 1 1 35 35 ALA C C 13 180.963 0.298 . 1 . . 532 . . 17 ALA C . 18863 1 221 . 1 1 35 35 ALA CA C 13 56.982 0.07 . 1 . . 176 . . 17 ALA CA . 18863 1 222 . 1 1 35 35 ALA CB C 13 19.276 0.054 . 1 . . 390 . . 17 ALA CB . 18863 1 223 . 1 1 35 35 ALA N N 15 124.955 0.076 . 1 . . 6 . . 17 ALA N . 18863 1 224 . 1 1 36 36 HIS H H 1 8.402 0.02 . 1 . . 133 . . 18 HIS H . 18863 1 225 . 1 1 36 36 HIS HA H 1 4.273 0.028 . 1 . . 296 . . 18 HIS HA . 18863 1 226 . 1 1 36 36 HIS HB2 H 1 3.371 0.021 . 1 . . 294 . . 18 HIS HB2 . 18863 1 227 . 1 1 36 36 HIS HB3 H 1 3.363 0.021 . 1 . . 620 . . 18 HIS HB3 . 18863 1 228 . 1 1 36 36 HIS HD2 H 1 7.351 0.021 . 1 . . 477 . . 18 HIS HD2 . 18863 1 229 . 1 1 36 36 HIS HE1 H 1 8.599 0.021 . 1 . . 479 . . 18 HIS HE1 . 18863 1 230 . 1 1 36 36 HIS C C 13 178.820 0.298 . 1 . . 533 . . 18 HIS C . 18863 1 231 . 1 1 36 36 HIS CA C 13 60.670 0.048 . 1 . . 177 . . 18 HIS CA . 18863 1 232 . 1 1 36 36 HIS CB C 13 29.626 0.001 . 1 . . 295 . . 18 HIS CB . 18863 1 233 . 1 1 36 36 HIS CD2 C 13 121.202 0.041 . 1 . . 478 . . 18 HIS CD2 . 18863 1 234 . 1 1 36 36 HIS CE1 C 13 138.016 0.041 . 1 . . 480 . . 18 HIS CE1 . 18863 1 235 . 1 1 36 36 HIS N N 15 116.071 0.083 . 1 . . 134 . . 18 HIS N . 18863 1 236 . 1 1 37 37 GLY H H 1 8.577 0.03 . 1 . . 145 . . 19 GLY H . 18863 1 237 . 1 1 37 37 GLY HA2 H 1 3.820 0.025 . 1 . . 290 . . 19 GLY HA2 . 18863 1 238 . 1 1 37 37 GLY HA3 H 1 3.941 0.016 . 1 . . 391 . . 19 GLY HA3 . 18863 1 239 . 1 1 37 37 GLY C C 13 176.607 0.298 . 1 . . 534 . . 19 GLY C . 18863 1 240 . 1 1 37 37 GLY CA C 13 48.808 0.073 . 1 . . 178 . . 19 GLY CA . 18863 1 241 . 1 1 37 37 GLY N N 15 110.287 0.197 . 1 . . 146 . . 19 GLY N . 18863 1 242 . 1 1 38 38 ILE H H 1 8.229 0.013 . 1 . . 13 . . 20 ILE H . 18863 1 243 . 1 1 38 38 ILE HA H 1 3.823 0.017 . 1 . . 302 . . 20 ILE HA . 18863 1 244 . 1 1 38 38 ILE HB H 1 1.951 0.021 . 1 . . 300 . . 20 ILE HB . 18863 1 245 . 1 1 38 38 ILE HG12 H 1 1.739 0.001 . 1 . . 392 . . 20 ILE HG12 . 18863 1 246 . 1 1 38 38 ILE HG13 H 1 1.134 0.009 . 1 . . 394 . . 20 ILE HG13 . 18863 1 247 . 1 1 38 38 ILE HG21 H 1 0.920 0.021 . 1 . . 398 . . 20 ILE HG21 . 18863 1 248 . 1 1 38 38 ILE HG22 H 1 0.920 0.021 . 1 . . 398 . . 20 ILE HG22 . 18863 1 249 . 1 1 38 38 ILE HG23 H 1 0.920 0.021 . 1 . . 398 . . 20 ILE HG23 . 18863 1 250 . 1 1 38 38 ILE HD11 H 1 0.800 0.021 . 1 . . 396 . . 20 ILE HD11 . 18863 1 251 . 1 1 38 38 ILE HD12 H 1 0.800 0.021 . 1 . . 396 . . 20 ILE HD12 . 18863 1 252 . 1 1 38 38 ILE HD13 H 1 0.800 0.021 . 1 . . 396 . . 20 ILE HD13 . 18863 1 253 . 1 1 38 38 ILE C C 13 179.097 0.298 . 1 . . 535 . . 20 ILE C . 18863 1 254 . 1 1 38 38 ILE CA C 13 66.544 0.032 . 1 . . 184 . . 20 ILE CA . 18863 1 255 . 1 1 38 38 ILE CB C 13 39.472 0.054 . 1 . . 301 . . 20 ILE CB . 18863 1 256 . 1 1 38 38 ILE CG1 C 13 30.905 0.058 . 1 . . 393 . . 20 ILE CG1 . 18863 1 257 . 1 1 38 38 ILE CG2 C 13 18.627 0.041 . 1 . . 399 . . 20 ILE CG2 . 18863 1 258 . 1 1 38 38 ILE CD1 C 13 14.173 0.041 . 1 . . 397 . . 20 ILE CD1 . 18863 1 259 . 1 1 38 38 ILE N N 15 123.027 0.079 . 1 . . 14 . . 20 ILE N . 18863 1 260 . 1 1 39 39 LEU H H 1 8.081 0.017 . 1 . . 51 . . 21 LEU H . 18863 1 261 . 1 1 39 39 LEU HA H 1 4.090 0.016 . 1 . . 304 . . 21 LEU HA . 18863 1 262 . 1 1 39 39 LEU HB2 H 1 1.773 0.021 . 1 . . 306 . . 21 LEU HB2 . 18863 1 263 . 1 1 39 39 LEU HB3 H 1 1.708 0.021 . 1 . . 400 . . 21 LEU HB3 . 18863 1 264 . 1 1 39 39 LEU HG H 1 1.747 0.021 . 1 . . 401 . . 21 LEU HG . 18863 1 265 . 1 1 39 39 LEU HD11 H 1 0.877 0.021 . 1 . . 403 . . 21 LEU HD11 . 18863 1 266 . 1 1 39 39 LEU HD12 H 1 0.877 0.021 . 1 . . 403 . . 21 LEU HD12 . 18863 1 267 . 1 1 39 39 LEU HD13 H 1 0.877 0.021 . 1 . . 403 . . 21 LEU HD13 . 18863 1 268 . 1 1 39 39 LEU HD21 H 1 0.829 0.021 . 1 . . 405 . . 21 LEU HD21 . 18863 1 269 . 1 1 39 39 LEU HD22 H 1 0.829 0.021 . 1 . . 405 . . 21 LEU HD22 . 18863 1 270 . 1 1 39 39 LEU HD23 H 1 0.829 0.021 . 1 . . 405 . . 21 LEU HD23 . 18863 1 271 . 1 1 39 39 LEU C C 13 180.014 0.298 . 1 . . 536 . . 21 LEU C . 18863 1 272 . 1 1 39 39 LEU CA C 13 59.903 0.073 . 1 . . 185 . . 21 LEU CA . 18863 1 273 . 1 1 39 39 LEU CB C 13 43.340 0.023 . 1 . . 307 . . 21 LEU CB . 18863 1 274 . 1 1 39 39 LEU CG C 13 28.687 0.041 . 1 . . 402 . . 21 LEU CG . 18863 1 275 . 1 1 39 39 LEU CD1 C 13 25.496 0.041 . 1 . . 404 . . 21 LEU CD1 . 18863 1 276 . 1 1 39 39 LEU CD2 C 13 25.496 0.041 . 1 . . 406 . . 21 LEU CD2 . 18863 1 277 . 1 1 39 39 LEU N N 15 120.579 0.062 . 1 . . 52 . . 21 LEU N . 18863 1 278 . 1 1 40 40 SER H H 1 8.157 0.012 . 1 . . 141 . . 22 SER H . 18863 1 279 . 1 1 40 40 SER HA H 1 3.798 0.024 . 1 . . 311 . . 22 SER HA . 18863 1 280 . 1 1 40 40 SER HB2 H 1 3.818 0.013 . 1 . . 308 . . 22 SER HB2 . 18863 1 281 . 1 1 40 40 SER HB3 H 1 3.973 0.002 . 1 . . 407 . . 22 SER HB3 . 18863 1 282 . 1 1 40 40 SER CA C 13 64.547 0.074 . 1 . . 186 . . 22 SER CA . 18863 1 283 . 1 1 40 40 SER CB C 13 65.031 0.061 . 1 . . 310 . . 22 SER CB . 18863 1 284 . 1 1 40 40 SER N N 15 114.721 0.201 . 1 . . 142 . . 22 SER N . 18863 1 285 . 1 1 41 41 PHE H H 1 8.098 0.002 . 1 . . 193 . . 23 PHE H . 18863 1 286 . 1 1 41 41 PHE HA H 1 4.239 0.029 . 1 . . 621 . . 23 PHE HA . 18863 1 287 . 1 1 41 41 PHE HB2 H 1 3.265 0.021 . 1 . . 622 . . 23 PHE HB2 . 18863 1 288 . 1 1 41 41 PHE HB3 H 1 3.225 0.021 . 1 . . 624 . . 23 PHE HB3 . 18863 1 289 . 1 1 41 41 PHE HD1 H 1 7.120 0.003 . 3 . . 625 . . 23 PHE HD1 . 18863 1 290 . 1 1 41 41 PHE HD2 H 1 7.120 0.003 . 3 . . 625 . . 23 PHE HD2 . 18863 1 291 . 1 1 41 41 PHE HE1 H 1 7.062 0.021 . 3 . . 627 . . 23 PHE HE1 . 18863 1 292 . 1 1 41 41 PHE HE2 H 1 7.062 0.021 . 3 . . 627 . . 23 PHE HE2 . 18863 1 293 . 1 1 41 41 PHE C C 13 178.437 0.298 . 1 . . 537 . . 23 PHE C . 18863 1 294 . 1 1 41 41 PHE CA C 13 63.668 0.034 . 1 . . 188 . . 23 PHE CA . 18863 1 295 . 1 1 41 41 PHE CB C 13 40.569 0.018 . 1 . . 623 . . 23 PHE CB . 18863 1 296 . 1 1 41 41 PHE CD1 C 13 132.008 0.041 . 3 . . 626 . . 23 PHE CD1 . 18863 1 297 . 1 1 41 41 PHE CD2 C 13 132.008 0.041 . 3 . . 626 . . 23 PHE CD2 . 18863 1 298 . 1 1 41 41 PHE CE1 C 13 133.122 0.041 . 3 . . 628 . . 23 PHE CE1 . 18863 1 299 . 1 1 41 41 PHE CE2 C 13 133.122 0.041 . 3 . . 628 . . 23 PHE CE2 . 18863 1 300 . 1 1 41 41 PHE N N 15 122.433 0.008 . 1 . . 594 . . 23 PHE N . 18863 1 301 . 1 1 42 42 LEU H H 1 8.335 0.013 . 1 . . 59 . . 24 LEU H . 18863 1 302 . 1 1 42 42 LEU HA H 1 4.033 0.023 . 1 . . 629 . . 24 LEU HA . 18863 1 303 . 1 1 42 42 LEU HB2 H 1 1.814 0.021 . 1 . . 313 . . 24 LEU HB2 . 18863 1 304 . 1 1 42 42 LEU HG H 1 1.631 0.021 . 1 . . 754 . . 24 LEU HG . 18863 1 305 . 1 1 42 42 LEU HD11 H 1 1.041 0.021 . 1 . . 753 . . 24 LEU HD11 . 18863 1 306 . 1 1 42 42 LEU HD12 H 1 1.041 0.021 . 1 . . 753 . . 24 LEU HD12 . 18863 1 307 . 1 1 42 42 LEU HD13 H 1 1.041 0.021 . 1 . . 753 . . 24 LEU HD13 . 18863 1 308 . 1 1 42 42 LEU HD21 H 1 0.851 0.021 . 1 . . 750 . . 24 LEU HD21 . 18863 1 309 . 1 1 42 42 LEU HD22 H 1 0.851 0.021 . 1 . . 750 . . 24 LEU HD22 . 18863 1 310 . 1 1 42 42 LEU HD23 H 1 0.851 0.021 . 1 . . 750 . . 24 LEU HD23 . 18863 1 311 . 1 1 42 42 LEU C C 13 178.743 0.298 . 1 . . 538 . . 24 LEU C . 18863 1 312 . 1 1 42 42 LEU CA C 13 60.100 0.022 . 1 . . 218 . . 24 LEU CA . 18863 1 313 . 1 1 42 42 LEU CB C 13 43.800 0.054 . 1 . . 314 . . 24 LEU CB . 18863 1 314 . 1 1 42 42 LEU N N 15 120.378 0.144 . 1 . . 60 . . 24 LEU N . 18863 1 315 . 1 1 43 43 VAL H H 1 8.288 0.007 . 1 . . 63 . . 25 VAL H . 18863 1 316 . 1 1 43 43 VAL HA H 1 4.276 0.012 . 1 . . 315 . . 25 VAL HA . 18863 1 317 . 1 1 43 43 VAL HB H 1 1.931 0.018 . 1 . . 317 . . 25 VAL HB . 18863 1 318 . 1 1 43 43 VAL C C 13 179.484 0.298 . 1 . . 539 . . 25 VAL C . 18863 1 319 . 1 1 43 43 VAL CA C 13 62.625 0.053 . 1 . . 217 . . 25 VAL CA . 18863 1 320 . 1 1 43 43 VAL CB C 13 33.693 0.054 . 1 . . 318 . . 25 VAL CB . 18863 1 321 . 1 1 43 43 VAL N N 15 120.412 0.133 . 1 . . 64 . . 25 VAL N . 18863 1 322 . 1 1 44 44 PHE H H 1 8.147 0.014 . 1 . . 39 . . 26 PHE H . 18863 1 323 . 1 1 44 44 PHE HA H 1 3.960 0.013 . 1 . . 323 . . 26 PHE HA . 18863 1 324 . 1 1 44 44 PHE HB2 H 1 3.041 0.004 . 1 . . 742 . . 26 PHE HB2 . 18863 1 325 . 1 1 44 44 PHE HB3 H 1 3.034 0.003 . 1 . . 743 . . 26 PHE HB3 . 18863 1 326 . 1 1 44 44 PHE C C 13 179.663 0.298 . 1 . . 540 . . 26 PHE C . 18863 1 327 . 1 1 44 44 PHE CA C 13 61.112 0.019 . 1 . . 216 . . 26 PHE CA . 18863 1 328 . 1 1 44 44 PHE CB C 13 39.396 0.019 . 1 . . 322 . . 26 PHE CB . 18863 1 329 . 1 1 44 44 PHE N N 15 121.041 0.111 . 1 . . 40 . . 26 PHE N . 18863 1 330 . 1 1 45 45 PHE H H 1 8.480 0.021 . 1 . . 85 . . 27 PHE H . 18863 1 331 . 1 1 45 45 PHE HA H 1 4.383 0.014 . 1 . . 493 . . 27 PHE HA . 18863 1 332 . 1 1 45 45 PHE HB2 H 1 3.073 0.011 . 1 . . 744 . . 27 PHE HB2 . 18863 1 333 . 1 1 45 45 PHE HB3 H 1 2.757 0.014 . 1 . . 745 . . 27 PHE HB3 . 18863 1 334 . 1 1 45 45 PHE HD1 H 1 7.114 0.007 . 3 . . 755 . . 27 PHE HD1 . 18863 1 335 . 1 1 45 45 PHE HD2 H 1 7.114 0.007 . 3 . . 755 . . 27 PHE HD2 . 18863 1 336 . 1 1 45 45 PHE HE1 H 1 7.023 0.004 . 3 . . 756 . . 27 PHE HE1 . 18863 1 337 . 1 1 45 45 PHE HE2 H 1 7.023 0.004 . 3 . . 756 . . 27 PHE HE2 . 18863 1 338 . 1 1 45 45 PHE C C 13 178.653 0.298 . 1 . . 541 . . 27 PHE C . 18863 1 339 . 1 1 45 45 PHE CA C 13 57.781 0.056 . 1 . . 215 . . 27 PHE CA . 18863 1 340 . 1 1 45 45 PHE CB C 13 38.700 0.006 . 1 . . 494 . . 27 PHE CB . 18863 1 341 . 1 1 45 45 PHE CD1 C 13 133.141 0.041 . 3 . . 757 . . 27 PHE CD1 . 18863 1 342 . 1 1 45 45 PHE CD2 C 13 133.141 0.041 . 3 . . 757 . . 27 PHE CD2 . 18863 1 343 . 1 1 45 45 PHE CE1 C 13 133.020 0.041 . 3 . . 758 . . 27 PHE CE1 . 18863 1 344 . 1 1 45 45 PHE CE2 C 13 133.020 0.041 . 3 . . 758 . . 27 PHE CE2 . 18863 1 345 . 1 1 45 45 PHE N N 15 119.462 0.219 . 1 . . 86 . . 27 PHE N . 18863 1 346 . 1 1 46 46 CYS H H 1 8.167 0.007 . 1 . . 31 . . 28 CYS H . 18863 1 347 . 1 1 46 46 CYS HA H 1 3.987 0.002 . 1 . . 507 . . 28 CYS HA . 18863 1 348 . 1 1 46 46 CYS HB2 H 1 2.646 0.021 . 1 . . 509 . . 28 CYS HB2 . 18863 1 349 . 1 1 46 46 CYS HB3 H 1 2.524 0.021 . 1 . . 511 . . 28 CYS HB3 . 18863 1 350 . 1 1 46 46 CYS C C 13 179.199 0.298 . 1 . . 542 . . 28 CYS C . 18863 1 351 . 1 1 46 46 CYS CA C 13 60.497 0.073 . 1 . . 214 . . 28 CYS CA . 18863 1 352 . 1 1 46 46 CYS CB C 13 33.924 0.02 . 1 . . 510 . . 28 CYS CB . 18863 1 353 . 1 1 46 46 CYS N N 15 121.547 0.041 . 1 . . 32 . . 28 CYS N . 18863 1 354 . 1 1 47 47 ALA H H 1 8.103 0.008 . 1 . . 23 . . 29 ALA H . 18863 1 355 . 1 1 47 47 ALA HA H 1 4.030 0.0 . 1 . . 408 . . 29 ALA HA . 18863 1 356 . 1 1 47 47 ALA HB1 H 1 1.475 0.021 . 1 . . 409 . . 29 ALA HB1 . 18863 1 357 . 1 1 47 47 ALA HB2 H 1 1.475 0.021 . 1 . . 409 . . 29 ALA HB2 . 18863 1 358 . 1 1 47 47 ALA HB3 H 1 1.475 0.021 . 1 . . 409 . . 29 ALA HB3 . 18863 1 359 . 1 1 47 47 ALA C C 13 180.011 0.298 . 1 . . 543 . . 29 ALA C . 18863 1 360 . 1 1 47 47 ALA CA C 13 56.956 0.022 . 1 . . 219 . . 29 ALA CA . 18863 1 361 . 1 1 47 47 ALA CB C 13 19.367 0.054 . 1 . . 410 . . 29 ALA CB . 18863 1 362 . 1 1 47 47 ALA N N 15 122.597 0.105 . 1 . . 24 . . 29 ALA N . 18863 1 363 . 1 1 48 48 ALA H H 1 7.969 0.014 . 1 . . 91 . . 30 ALA H . 18863 1 364 . 1 1 48 48 ALA HA H 1 3.931 0.018 . 1 . . 411 . . 30 ALA HA . 18863 1 365 . 1 1 48 48 ALA HB1 H 1 1.414 0.017 . 1 . . 412 . . 30 ALA HB1 . 18863 1 366 . 1 1 48 48 ALA HB2 H 1 1.414 0.017 . 1 . . 412 . . 30 ALA HB2 . 18863 1 367 . 1 1 48 48 ALA HB3 H 1 1.414 0.017 . 1 . . 412 . . 30 ALA HB3 . 18863 1 368 . 1 1 48 48 ALA C C 13 180.835 0.298 . 1 . . 544 . . 30 ALA C . 18863 1 369 . 1 1 48 48 ALA CA C 13 56.960 0.049 . 1 . . 220 . . 30 ALA CA . 18863 1 370 . 1 1 48 48 ALA CB C 13 19.132 0.054 . 1 . . 413 . . 30 ALA CB . 18863 1 371 . 1 1 48 48 ALA N N 15 119.533 0.035 . 1 . . 92 . . 30 ALA N . 18863 1 372 . 1 1 49 49 TRP H H 1 8.084 0.003 . 1 . . 81 . . 31 TRP H . 18863 1 373 . 1 1 49 49 TRP HA H 1 3.965 0.008 . 1 . . 324 . . 31 TRP HA . 18863 1 374 . 1 1 49 49 TRP HB2 H 1 3.171 0.003 . 1 . . 414 . . 31 TRP HB2 . 18863 1 375 . 1 1 49 49 TRP HB3 H 1 2.869 0.011 . 1 . . 416 . . 31 TRP HB3 . 18863 1 376 . 1 1 49 49 TRP HD1 H 1 6.618 0.014 . 1 . . 481 . . 31 TRP HD1 . 18863 1 377 . 1 1 49 49 TRP HE1 H 1 9.764 0.011 . 1 . . 3 . . 31 TRP HE1 . 18863 1 378 . 1 1 49 49 TRP HE3 H 1 7.311 0.008 . 1 . . 474 . . 31 TRP HE3 . 18863 1 379 . 1 1 49 49 TRP HZ2 H 1 7.194 0.013 . 1 . . 732 . . 31 TRP HZ2 . 18863 1 380 . 1 1 49 49 TRP HZ3 H 1 6.872 0.016 . 1 . . 738 . . 31 TRP HZ3 . 18863 1 381 . 1 1 49 49 TRP HH2 H 1 6.957 0.008 . 1 . . 736 . . 31 TRP HH2 . 18863 1 382 . 1 1 49 49 TRP C C 13 179.573 0.298 . 1 . . 545 . . 31 TRP C . 18863 1 383 . 1 1 49 49 TRP CA C 13 62.501 0.073 . 1 . . 325 . . 31 TRP CA . 18863 1 384 . 1 1 49 49 TRP CB C 13 30.593 0.039 . 1 . . 415 . . 31 TRP CB . 18863 1 385 . 1 1 49 49 TRP CD1 C 13 127.444 0.041 . 1 . . 482 . . 31 TRP CD1 . 18863 1 386 . 1 1 49 49 TRP CZ2 C 13 115.189 0.041 . 1 . . 733 . . 31 TRP CZ2 . 18863 1 387 . 1 1 49 49 TRP CZ3 C 13 122.606 0.041 . 1 . . 739 . . 31 TRP CZ3 . 18863 1 388 . 1 1 49 49 TRP CH2 C 13 125.249 0.021 . 1 . . 737 . . 31 TRP CH2 . 18863 1 389 . 1 1 49 49 TRP N N 15 119.633 0.135 . 1 . . 82 . . 31 TRP N . 18863 1 390 . 1 1 49 49 TRP NE1 N 15 128.381 0.089 . 1 . . 4 . . 31 TRP NE1 . 18863 1 391 . 1 1 50 50 TYR H H 1 8.212 0.01 . 1 . . 55 . . 32 TYR H . 18863 1 392 . 1 1 50 50 TYR HA H 1 3.956 0.001 . 1 . . 326 . . 32 TYR HA . 18863 1 393 . 1 1 50 50 TYR HB2 H 1 3.107 0.004 . 1 . . 419 . . 32 TYR HB2 . 18863 1 394 . 1 1 50 50 TYR HB3 H 1 3.079 0.021 . 1 . . 632 . . 32 TYR HB3 . 18863 1 395 . 1 1 50 50 TYR HD1 H 1 6.930 0.013 . 3 . . 633 . . 32 TYR HD1 . 18863 1 396 . 1 1 50 50 TYR HD2 H 1 6.930 0.013 . 3 . . 633 . . 32 TYR HD2 . 18863 1 397 . 1 1 50 50 TYR HE1 H 1 6.578 0.01 . 3 . . 635 . . 32 TYR HE1 . 18863 1 398 . 1 1 50 50 TYR HE2 H 1 6.578 0.01 . 3 . . 635 . . 32 TYR HE2 . 18863 1 399 . 1 1 50 50 TYR C C 13 179.396 0.298 . 1 . . 546 . . 32 TYR C . 18863 1 400 . 1 1 50 50 TYR CA C 13 63.419 0.073 . 1 . . 327 . . 32 TYR CA . 18863 1 401 . 1 1 50 50 TYR CB C 13 39.865 0.02 . 1 . . 418 . . 32 TYR CB . 18863 1 402 . 1 1 50 50 TYR CD1 C 13 134.007 0.041 . 3 . . 634 . . 32 TYR CD1 . 18863 1 403 . 1 1 50 50 TYR CD2 C 13 134.007 0.041 . 3 . . 634 . . 32 TYR CD2 . 18863 1 404 . 1 1 50 50 TYR CE1 C 13 118.914 0.041 . 3 . . 636 . . 32 TYR CE1 . 18863 1 405 . 1 1 50 50 TYR CE2 C 13 118.914 0.041 . 3 . . 636 . . 32 TYR CE2 . 18863 1 406 . 1 1 50 50 TYR N N 15 120.576 0.083 . 1 . . 56 . . 32 TYR N . 18863 1 407 . 1 1 51 51 ILE H H 1 8.234 0.006 . 1 . . 83 . . 33 ILE H . 18863 1 408 . 1 1 51 51 ILE HA H 1 3.464 0.029 . 1 . . 328 . . 33 ILE HA . 18863 1 409 . 1 1 51 51 ILE HB H 1 1.863 0.021 . 1 . . 726 . . 33 ILE HB . 18863 1 410 . 1 1 51 51 ILE HG21 H 1 0.809 0.021 . 1 . . 728 . . 33 ILE HG21 . 18863 1 411 . 1 1 51 51 ILE HG22 H 1 0.809 0.021 . 1 . . 728 . . 33 ILE HG22 . 18863 1 412 . 1 1 51 51 ILE HG23 H 1 0.809 0.021 . 1 . . 728 . . 33 ILE HG23 . 18863 1 413 . 1 1 51 51 ILE C C 13 179.052 0.298 . 1 . . 547 . . 33 ILE C . 18863 1 414 . 1 1 51 51 ILE CA C 13 66.667 0.073 . 1 . . 329 . . 33 ILE CA . 18863 1 415 . 1 1 51 51 ILE CB C 13 39.489 0.054 . 1 . . 727 . . 33 ILE CB . 18863 1 416 . 1 1 51 51 ILE CG2 C 13 18.737 0.041 . 1 . . 729 . . 33 ILE CG2 . 18863 1 417 . 1 1 51 51 ILE N N 15 119.761 0.167 . 1 . . 84 . . 33 ILE N . 18863 1 418 . 1 1 52 52 LYS H H 1 8.076 0.004 . 1 . . 89 . . 34 LYS H . 18863 1 419 . 1 1 52 52 LYS HA H 1 3.952 0.005 . 1 . . 330 . . 34 LYS HA . 18863 1 420 . 1 1 52 52 LYS C C 13 179.727 0.298 . 1 . . 548 . . 34 LYS C . 18863 1 421 . 1 1 52 52 LYS CA C 13 61.093 0.073 . 1 . . 331 . . 34 LYS CA . 18863 1 422 . 1 1 52 52 LYS N N 15 119.460 0.027 . 1 . . 90 . . 34 LYS N . 18863 1 423 . 1 1 53 53 GLY H H 1 8.008 0.009 . 1 . . 182 . . 35 GLY H . 18863 1 424 . 1 1 53 53 GLY HA2 H 1 3.493 0.022 . 1 . . 422 . . 35 GLY HA2 . 18863 1 425 . 1 1 53 53 GLY HA3 H 1 3.651 0.021 . 1 . . 424 . . 35 GLY HA3 . 18863 1 426 . 1 1 53 53 GLY C C 13 175.912 0.298 . 1 . . 549 . . 35 GLY C . 18863 1 427 . 1 1 53 53 GLY CA C 13 47.951 0.035 . 1 . . 183 . . 35 GLY CA . 18863 1 428 . 1 1 53 53 GLY N N 15 106.103 0.043 . 1 . . 162 . . 35 GLY N . 18863 1 429 . 1 1 54 54 ARG H H 1 7.504 0.019 . 1 . . 105 . . 36 ARG H . 18863 1 430 . 1 1 54 54 ARG HA H 1 4.025 0.015 . 1 . . 332 . . 36 ARG HA . 18863 1 431 . 1 1 54 54 ARG HB2 H 1 1.732 0.021 . 1 . . 637 . . 36 ARG HB2 . 18863 1 432 . 1 1 54 54 ARG HB3 H 1 1.679 0.012 . 1 . . 499 . . 36 ARG HB3 . 18863 1 433 . 1 1 54 54 ARG HG2 H 1 1.554 0.002 . 1 . . 638 . . 36 ARG HG2 . 18863 1 434 . 1 1 54 54 ARG HG3 H 1 1.441 0.013 . 1 . . 640 . . 36 ARG HG3 . 18863 1 435 . 1 1 54 54 ARG HD2 H 1 2.911 0.021 . 1 . . 641 . . 36 ARG HD2 . 18863 1 436 . 1 1 54 54 ARG HD3 H 1 2.868 0.011 . 1 . . 643 . . 36 ARG HD3 . 18863 1 437 . 1 1 54 54 ARG C C 13 178.381 0.298 . 1 . . 550 . . 36 ARG C . 18863 1 438 . 1 1 54 54 ARG CA C 13 58.528 0.03 . 1 . . 181 . . 36 ARG CA . 18863 1 439 . 1 1 54 54 ARG CB C 13 30.870 0.04 . 1 . . 498 . . 36 ARG CB . 18863 1 440 . 1 1 54 54 ARG CG C 13 26.700 0.015 . 1 . . 639 . . 36 ARG CG . 18863 1 441 . 1 1 54 54 ARG CD C 13 43.580 0.018 . 1 . . 642 . . 36 ARG CD . 18863 1 442 . 1 1 54 54 ARG N N 15 118.264 0.042 . 1 . . 106 . . 36 ARG N . 18863 1 443 . 1 1 55 55 LEU H H 1 7.596 0.012 . 1 . . 111 . . 37 LEU H . 18863 1 444 . 1 1 55 55 LEU HA H 1 4.256 0.014 . 1 . . 334 . . 37 LEU HA . 18863 1 445 . 1 1 55 55 LEU HB2 H 1 1.541 0.021 . 1 . . 644 . . 37 LEU HB2 . 18863 1 446 . 1 1 55 55 LEU HB3 H 1 1.519 0.021 . 1 . . 646 . . 37 LEU HB3 . 18863 1 447 . 1 1 55 55 LEU HG H 1 1.826 0.021 . 1 . . 647 . . 37 LEU HG . 18863 1 448 . 1 1 55 55 LEU HD11 H 1 0.857 0.021 . 1 . . 649 . . 37 LEU HD11 . 18863 1 449 . 1 1 55 55 LEU HD12 H 1 0.857 0.021 . 1 . . 649 . . 37 LEU HD12 . 18863 1 450 . 1 1 55 55 LEU HD13 H 1 0.857 0.021 . 1 . . 649 . . 37 LEU HD13 . 18863 1 451 . 1 1 55 55 LEU HD21 H 1 0.799 0.024 . 1 . . 651 . . 37 LEU HD21 . 18863 1 452 . 1 1 55 55 LEU HD22 H 1 0.799 0.024 . 1 . . 651 . . 37 LEU HD22 . 18863 1 453 . 1 1 55 55 LEU HD23 H 1 0.799 0.024 . 1 . . 651 . . 37 LEU HD23 . 18863 1 454 . 1 1 55 55 LEU C C 13 178.286 0.298 . 1 . . 551 . . 37 LEU C . 18863 1 455 . 1 1 55 55 LEU CA C 13 56.716 0.073 . 1 . . 335 . . 37 LEU CA . 18863 1 456 . 1 1 55 55 LEU CB C 13 44.204 0.009 . 1 . . 645 . . 37 LEU CB . 18863 1 457 . 1 1 55 55 LEU CG C 13 28.449 0.041 . 1 . . 648 . . 37 LEU CG . 18863 1 458 . 1 1 55 55 LEU CD1 C 13 26.477 0.041 . 1 . . 650 . . 37 LEU CD1 . 18863 1 459 . 1 1 55 55 LEU CD2 C 13 26.441 0.041 . 1 . . 652 . . 37 LEU CD2 . 18863 1 460 . 1 1 55 55 LEU N N 15 118.030 0.093 . 1 . . 112 . . 37 LEU N . 18863 1 461 . 1 1 56 56 ALA H H 1 7.828 0.011 . 1 . . 27 . . 38 ALA H . 18863 1 462 . 1 1 56 56 ALA HA H 1 4.416 0.029 . 1 . . 336 . . 38 ALA HA . 18863 1 463 . 1 1 56 56 ALA HB1 H 1 1.336 0.021 . 1 . . 338 . . 38 ALA HB1 . 18863 1 464 . 1 1 56 56 ALA HB2 H 1 1.336 0.021 . 1 . . 338 . . 38 ALA HB2 . 18863 1 465 . 1 1 56 56 ALA HB3 H 1 1.336 0.021 . 1 . . 338 . . 38 ALA HB3 . 18863 1 466 . 1 1 56 56 ALA CA C 13 54.440 0.073 . 1 . . 337 . . 38 ALA CA . 18863 1 467 . 1 1 56 56 ALA CB C 13 18.832 0.054 . 1 . . 339 . . 38 ALA CB . 18863 1 468 . 1 1 56 56 ALA N N 15 122.471 0.137 . 1 . . 28 . . 38 ALA N . 18863 1 469 . 1 1 57 57 PRO HA H 1 4.291 0.002 . 1 . . 653 . . 39 PRO HA . 18863 1 470 . 1 1 57 57 PRO HB2 H 1 1.833 0.021 . 1 . . 655 . . 39 PRO HB2 . 18863 1 471 . 1 1 57 57 PRO HB3 H 1 1.808 0.021 . 1 . . 657 . . 39 PRO HB3 . 18863 1 472 . 1 1 57 57 PRO HG2 H 1 1.949 0.021 . 1 . . 658 . . 39 PRO HG2 . 18863 1 473 . 1 1 57 57 PRO HG3 H 1 1.928 0.021 . 1 . . 660 . . 39 PRO HG3 . 18863 1 474 . 1 1 57 57 PRO HD2 H 1 3.539 0.021 . 1 . . 661 . . 39 PRO HD2 . 18863 1 475 . 1 1 57 57 PRO HD3 H 1 3.527 0.021 . 1 . . 663 . . 39 PRO HD3 . 18863 1 476 . 1 1 57 57 PRO C C 13 179.489 0.298 . 1 . . 552 . . 39 PRO C . 18863 1 477 . 1 1 57 57 PRO CA C 13 66.899 0.073 . 1 . . 654 . . 39 PRO CA . 18863 1 478 . 1 1 57 57 PRO CB C 13 32.855 0.054 . 1 . . 656 . . 39 PRO CB . 18863 1 479 . 1 1 57 57 PRO CG C 13 29.397 0.018 . 1 . . 659 . . 39 PRO CG . 18863 1 480 . 1 1 57 57 PRO CD C 13 51.636 0.018 . 1 . . 662 . . 39 PRO CD . 18863 1 481 . 1 1 58 58 GLY H H 1 8.226 0.007 . 1 . . 163 . . 40 GLY H . 18863 1 482 . 1 1 58 58 GLY HA2 H 1 3.817 0.012 . 1 . . 340 . . 40 GLY HA2 . 18863 1 483 . 1 1 58 58 GLY HA3 H 1 3.799 0.025 . 1 . . 430 . . 40 GLY HA3 . 18863 1 484 . 1 1 58 58 GLY C C 13 176.415 0.298 . 1 . . 553 . . 40 GLY C . 18863 1 485 . 1 1 58 58 GLY CA C 13 48.118 0.002 . 1 . . 341 . . 40 GLY CA . 18863 1 486 . 1 1 58 58 GLY N N 15 105.749 0.342 . 1 . . 164 . . 40 GLY N . 18863 1 487 . 1 1 59 59 ALA H H 1 7.946 0.013 . 1 . . 7 . . 41 ALA H . 18863 1 488 . 1 1 59 59 ALA HA H 1 4.012 0.006 . 1 . . 342 . . 41 ALA HA . 18863 1 489 . 1 1 59 59 ALA HB1 H 1 1.384 0.029 . 1 . . 344 . . 41 ALA HB1 . 18863 1 490 . 1 1 59 59 ALA HB2 H 1 1.384 0.029 . 1 . . 344 . . 41 ALA HB2 . 18863 1 491 . 1 1 59 59 ALA HB3 H 1 1.384 0.029 . 1 . . 344 . . 41 ALA HB3 . 18863 1 492 . 1 1 59 59 ALA C C 13 180.038 0.298 . 1 . . 554 . . 41 ALA C . 18863 1 493 . 1 1 59 59 ALA CA C 13 55.532 0.073 . 1 . . 343 . . 41 ALA CA . 18863 1 494 . 1 1 59 59 ALA CB C 13 19.857 0.054 . 1 . . 345 . . 41 ALA CB . 18863 1 495 . 1 1 59 59 ALA N N 15 123.814 0.111 . 1 . . 8 . . 41 ALA N . 18863 1 496 . 1 1 60 60 ALA H H 1 8.049 0.028 . 1 . . 65 . . 42 ALA H . 18863 1 497 . 1 1 60 60 ALA HA H 1 4.082 0.001 . 1 . . 346 . . 42 ALA HA . 18863 1 498 . 1 1 60 60 ALA HB1 H 1 1.370 0.021 . 1 . . 431 . . 42 ALA HB1 . 18863 1 499 . 1 1 60 60 ALA HB2 H 1 1.370 0.021 . 1 . . 431 . . 42 ALA HB2 . 18863 1 500 . 1 1 60 60 ALA HB3 H 1 1.370 0.021 . 1 . . 431 . . 42 ALA HB3 . 18863 1 501 . 1 1 60 60 ALA C C 13 180.178 0.298 . 1 . . 555 . . 42 ALA C . 18863 1 502 . 1 1 60 60 ALA CA C 13 56.082 0.073 . 1 . . 347 . . 42 ALA CA . 18863 1 503 . 1 1 60 60 ALA CB C 13 19.895 0.054 . 1 . . 432 . . 42 ALA CB . 18863 1 504 . 1 1 60 60 ALA N N 15 120.273 0.025 . 1 . . 66 . . 42 ALA N . 18863 1 505 . 1 1 61 61 TYR H H 1 7.885 0.015 . 1 . . 119 . . 43 TYR H . 18863 1 506 . 1 1 61 61 TYR HA H 1 4.279 0.012 . 1 . . 348 . . 43 TYR HA . 18863 1 507 . 1 1 61 61 TYR HB2 H 1 3.037 0.001 . 1 . . 664 . . 43 TYR HB2 . 18863 1 508 . 1 1 61 61 TYR HB3 H 1 2.991 0.01 . 1 . . 433 . . 43 TYR HB3 . 18863 1 509 . 1 1 61 61 TYR HD1 H 1 6.958 0.014 . 3 . . 665 . . 43 TYR HD1 . 18863 1 510 . 1 1 61 61 TYR HD2 H 1 6.958 0.014 . 3 . . 665 . . 43 TYR HD2 . 18863 1 511 . 1 1 61 61 TYR HE1 H 1 6.572 0.006 . 3 . . 667 . . 43 TYR HE1 . 18863 1 512 . 1 1 61 61 TYR HE2 H 1 6.572 0.006 . 3 . . 667 . . 43 TYR HE2 . 18863 1 513 . 1 1 61 61 TYR C C 13 178.829 0.298 . 1 . . 556 . . 43 TYR C . 18863 1 514 . 1 1 61 61 TYR CA C 13 62.285 0.073 . 1 . . 349 . . 43 TYR CA . 18863 1 515 . 1 1 61 61 TYR CB C 13 39.858 0.012 . 1 . . 434 . . 43 TYR CB . 18863 1 516 . 1 1 61 61 TYR CD1 C 13 133.968 0.041 . 3 . . 666 . . 43 TYR CD1 . 18863 1 517 . 1 1 61 61 TYR CD2 C 13 133.968 0.041 . 3 . . 666 . . 43 TYR CD2 . 18863 1 518 . 1 1 61 61 TYR CE1 C 13 118.912 0.041 . 3 . . 668 . . 43 TYR CE1 . 18863 1 519 . 1 1 61 61 TYR CE2 C 13 118.912 0.041 . 3 . . 668 . . 43 TYR CE2 . 18863 1 520 . 1 1 61 61 TYR N N 15 117.392 0.203 . 1 . . 120 . . 43 TYR N . 18863 1 521 . 1 1 62 62 ALA H H 1 7.853 0.01 . 1 . . 33 . . 44 ALA H . 18863 1 522 . 1 1 62 62 ALA HA H 1 3.980 0.02 . 1 . . 350 . . 44 ALA HA . 18863 1 523 . 1 1 62 62 ALA HB1 H 1 1.269 0.014 . 1 . . 435 . . 44 ALA HB1 . 18863 1 524 . 1 1 62 62 ALA HB2 H 1 1.269 0.014 . 1 . . 435 . . 44 ALA HB2 . 18863 1 525 . 1 1 62 62 ALA HB3 H 1 1.269 0.014 . 1 . . 435 . . 44 ALA HB3 . 18863 1 526 . 1 1 62 62 ALA C C 13 179.646 0.298 . 1 . . 557 . . 44 ALA C . 18863 1 527 . 1 1 62 62 ALA CA C 13 56.209 0.073 . 1 . . 351 . . 44 ALA CA . 18863 1 528 . 1 1 62 62 ALA CB C 13 19.663 0.054 . 1 . . 436 . . 44 ALA CB . 18863 1 529 . 1 1 62 62 ALA N N 15 121.586 0.043 . 1 . . 34 . . 44 ALA N . 18863 1 530 . 1 1 63 63 PHE H H 1 7.883 0.003 . 1 . . 131 . . 45 PHE H . 18863 1 531 . 1 1 63 63 PHE HA H 1 4.247 0.041 . 1 . . 352 . . 45 PHE HA . 18863 1 532 . 1 1 63 63 PHE HB2 H 1 2.829 0.008 . 1 . . 437 . . 45 PHE HB2 . 18863 1 533 . 1 1 63 63 PHE HB3 H 1 2.823 0.002 . 1 . . 669 . . 45 PHE HB3 . 18863 1 534 . 1 1 63 63 PHE HD1 H 1 6.807 0.01 . 3 . . 670 . . 45 PHE HD1 . 18863 1 535 . 1 1 63 63 PHE HD2 H 1 6.807 0.01 . 3 . . 670 . . 45 PHE HD2 . 18863 1 536 . 1 1 63 63 PHE HE1 H 1 6.967 0.01 . 3 . . 672 . . 45 PHE HE1 . 18863 1 537 . 1 1 63 63 PHE HE2 H 1 6.967 0.01 . 3 . . 672 . . 45 PHE HE2 . 18863 1 538 . 1 1 63 63 PHE HZ H 1 6.905 0.013 . 1 . . 674 . . 45 PHE HZ . 18863 1 539 . 1 1 63 63 PHE C C 13 177.655 0.298 . 1 . . 558 . . 45 PHE C . 18863 1 540 . 1 1 63 63 PHE CA C 13 61.784 0.073 . 1 . . 353 . . 45 PHE CA . 18863 1 541 . 1 1 63 63 PHE CB C 13 41.003 0.008 . 1 . . 438 . . 45 PHE CB . 18863 1 542 . 1 1 63 63 PHE CD1 C 13 132.977 0.041 . 3 . . 671 . . 45 PHE CD1 . 18863 1 543 . 1 1 63 63 PHE CD2 C 13 132.977 0.041 . 3 . . 671 . . 45 PHE CD2 . 18863 1 544 . 1 1 63 63 PHE CE1 C 13 131.976 0.041 . 3 . . 673 . . 45 PHE CE1 . 18863 1 545 . 1 1 63 63 PHE CE2 C 13 131.976 0.041 . 3 . . 673 . . 45 PHE CE2 . 18863 1 546 . 1 1 63 63 PHE CZ C 13 134.004 0.041 . 1 . . 675 . . 45 PHE CZ . 18863 1 547 . 1 1 63 63 PHE N N 15 116.633 0.065 . 1 . . 132 . . 45 PHE N . 18863 1 548 . 1 1 64 64 TYR H H 1 7.992 0.023 . 1 . . 129 . . 46 TYR H . 18863 1 549 . 1 1 64 64 TYR HA H 1 4.332 0.011 . 1 . . 354 . . 46 TYR HA . 18863 1 550 . 1 1 64 64 TYR HB2 H 1 2.935 0.013 . 1 . . 676 . . 46 TYR HB2 . 18863 1 551 . 1 1 64 64 TYR HB3 H 1 2.896 0.021 . 1 . . 677 . . 46 TYR HB3 . 18863 1 552 . 1 1 64 64 TYR HD1 H 1 7.082 0.013 . 3 . . 678 . . 46 TYR HD1 . 18863 1 553 . 1 1 64 64 TYR HD2 H 1 7.082 0.013 . 3 . . 678 . . 46 TYR HD2 . 18863 1 554 . 1 1 64 64 TYR HE1 H 1 6.626 0.011 . 3 . . 680 . . 46 TYR HE1 . 18863 1 555 . 1 1 64 64 TYR HE2 H 1 6.626 0.011 . 3 . . 680 . . 46 TYR HE2 . 18863 1 556 . 1 1 64 64 TYR C C 13 177.901 0.298 . 1 . . 559 . . 46 TYR C . 18863 1 557 . 1 1 64 64 TYR CA C 13 61.385 0.073 . 1 . . 355 . . 46 TYR CA . 18863 1 558 . 1 1 64 64 TYR CB C 13 40.193 0.054 . 1 . . 440 . . 46 TYR CB . 18863 1 559 . 1 1 64 64 TYR CD1 C 13 134.264 0.041 . 3 . . 679 . . 46 TYR CD1 . 18863 1 560 . 1 1 64 64 TYR CD2 C 13 134.264 0.041 . 3 . . 679 . . 46 TYR CD2 . 18863 1 561 . 1 1 64 64 TYR CE1 C 13 119.025 0.041 . 3 . . 681 . . 46 TYR CE1 . 18863 1 562 . 1 1 64 64 TYR CE2 C 13 119.025 0.041 . 3 . . 681 . . 46 TYR CE2 . 18863 1 563 . 1 1 64 64 TYR N N 15 116.786 0.129 . 1 . . 130 . . 46 TYR N . 18863 1 564 . 1 1 65 65 GLY H H 1 7.937 0.018 . 1 . . 159 . . 47 GLY H . 18863 1 565 . 1 1 65 65 GLY HA2 H 1 3.814 0.037 . 1 . . 441 . . 47 GLY HA2 . 18863 1 566 . 1 1 65 65 GLY HA3 H 1 3.684 0.029 . 1 . . 356 . . 47 GLY HA3 . 18863 1 567 . 1 1 65 65 GLY C C 13 175.412 0.298 . 1 . . 563 . . 47 GLY C . 18863 1 568 . 1 1 65 65 GLY CA C 13 47.376 0.029 . 1 . . 172 . . 47 GLY CA . 18863 1 569 . 1 1 65 65 GLY N N 15 106.599 0.108 . 1 . . 160 . . 47 GLY N . 18863 1 570 . 1 1 66 66 VAL H H 1 7.706 0.03 . 1 . . 121 . . 48 VAL H . 18863 1 571 . 1 1 66 66 VAL HA H 1 4.049 0.029 . 1 . . 360 . . 48 VAL HA . 18863 1 572 . 1 1 66 66 VAL HB H 1 2.074 0.012 . 1 . . 358 . . 48 VAL HB . 18863 1 573 . 1 1 66 66 VAL HG11 H 1 0.848 0.016 . 1 . . 682 . . 48 VAL HG11 . 18863 1 574 . 1 1 66 66 VAL HG12 H 1 0.848 0.016 . 1 . . 682 . . 48 VAL HG12 . 18863 1 575 . 1 1 66 66 VAL HG13 H 1 0.848 0.016 . 1 . . 682 . . 48 VAL HG13 . 18863 1 576 . 1 1 66 66 VAL HG21 H 1 0.837 0.027 . 1 . . 684 . . 48 VAL HG21 . 18863 1 577 . 1 1 66 66 VAL HG22 H 1 0.837 0.027 . 1 . . 684 . . 48 VAL HG22 . 18863 1 578 . 1 1 66 66 VAL HG23 H 1 0.837 0.027 . 1 . . 684 . . 48 VAL HG23 . 18863 1 579 . 1 1 66 66 VAL C C 13 177.991 0.298 . 1 . . 560 . . 48 VAL C . 18863 1 580 . 1 1 66 66 VAL CA C 13 64.969 0.073 . 1 . . 361 . . 48 VAL CA . 18863 1 581 . 1 1 66 66 VAL CB C 13 34.092 0.054 . 1 . . 359 . . 48 VAL CB . 18863 1 582 . 1 1 66 66 VAL CG1 C 13 22.346 0.041 . 1 . . 683 . . 48 VAL CG1 . 18863 1 583 . 1 1 66 66 VAL CG2 C 13 22.321 0.041 . 1 . . 685 . . 48 VAL CG2 . 18863 1 584 . 1 1 66 66 VAL N N 15 117.221 0.107 . 1 . . 122 . . 48 VAL N . 18863 1 585 . 1 1 67 67 TRP H H 1 8.019 0.024 . 1 . . 19 . . 49 TRP H . 18863 1 586 . 1 1 67 67 TRP HA H 1 4.511 0.021 . 1 . . 362 . . 49 TRP HA . 18863 1 587 . 1 1 67 67 TRP HB2 H 1 3.217 0.007 . 1 . . 364 . . 49 TRP HB2 . 18863 1 588 . 1 1 67 67 TRP HB3 H 1 3.213 0.003 . 1 . . 686 . . 49 TRP HB3 . 18863 1 589 . 1 1 67 67 TRP HD1 H 1 7.058 0.017 . 1 . . 483 . . 49 TRP HD1 . 18863 1 590 . 1 1 67 67 TRP HE1 H 1 10.143 0.002 . 1 . . 1 . . 49 TRP HE1 . 18863 1 591 . 1 1 67 67 TRP HE3 H 1 7.358 0.006 . 1 . . 470 . . 49 TRP HE3 . 18863 1 592 . 1 1 67 67 TRP HZ2 H 1 7.215 0.011 . 1 . . 730 . . 49 TRP HZ2 . 18863 1 593 . 1 1 67 67 TRP HZ3 H 1 6.841 0.01 . 1 . . 740 . . 49 TRP HZ3 . 18863 1 594 . 1 1 67 67 TRP HH2 H 1 6.968 0.013 . 1 . . 734 . . 49 TRP HH2 . 18863 1 595 . 1 1 67 67 TRP CA C 13 62.867 0.073 . 1 . . 363 . . 49 TRP CA . 18863 1 596 . 1 1 67 67 TRP CB C 13 29.058 0.02 . 1 . . 365 . . 49 TRP CB . 18863 1 597 . 1 1 67 67 TRP CD1 C 13 127.438 0.041 . 1 . . 484 . . 49 TRP CD1 . 18863 1 598 . 1 1 67 67 TRP CZ2 C 13 115.236 0.041 . 1 . . 731 . . 49 TRP CZ2 . 18863 1 599 . 1 1 67 67 TRP CZ3 C 13 122.671 0.041 . 1 . . 741 . . 49 TRP CZ3 . 18863 1 600 . 1 1 67 67 TRP CH2 C 13 125.301 0.021 . 1 . . 735 . . 49 TRP CH2 . 18863 1 601 . 1 1 67 67 TRP N N 15 122.735 0.064 . 1 . . 20 . . 49 TRP N . 18863 1 602 . 1 1 67 67 TRP NE1 N 15 128.744 0.094 . 1 . . 2 . . 49 TRP NE1 . 18863 1 603 . 1 1 68 68 PRO HA H 1 3.990 0.029 . 1 . . 687 . . 50 PRO HA . 18863 1 604 . 1 1 68 68 PRO HB2 H 1 1.647 0.021 . 1 . . 689 . . 50 PRO HB2 . 18863 1 605 . 1 1 68 68 PRO HB3 H 1 1.629 0.021 . 1 . . 691 . . 50 PRO HB3 . 18863 1 606 . 1 1 68 68 PRO C C 13 179.415 0.298 . 1 . . 561 . . 50 PRO C . 18863 1 607 . 1 1 68 68 PRO CA C 13 67.827 0.073 . 1 . . 688 . . 50 PRO CA . 18863 1 608 . 1 1 68 68 PRO CB C 13 32.712 0.005 . 1 . . 690 . . 50 PRO CB . 18863 1 609 . 1 1 69 69 LEU H H 1 7.064 0.006 . 1 . . 135 . . 51 LEU H . 18863 1 610 . 1 1 69 69 LEU HA H 1 4.006 0.034 . 1 . . 366 . . 51 LEU HA . 18863 1 611 . 1 1 69 69 LEU HB2 H 1 1.685 0.021 . 1 . . 692 . . 51 LEU HB2 . 18863 1 612 . 1 1 69 69 LEU HB3 H 1 1.661 0.021 . 1 . . 694 . . 51 LEU HB3 . 18863 1 613 . 1 1 69 69 LEU HG H 1 1.642 0.021 . 1 . . 695 . . 51 LEU HG . 18863 1 614 . 1 1 69 69 LEU HD11 H 1 0.848 0.021 . 1 . . 697 . . 51 LEU HD11 . 18863 1 615 . 1 1 69 69 LEU HD12 H 1 0.848 0.021 . 1 . . 697 . . 51 LEU HD12 . 18863 1 616 . 1 1 69 69 LEU HD13 H 1 0.848 0.021 . 1 . . 697 . . 51 LEU HD13 . 18863 1 617 . 1 1 69 69 LEU HD21 H 1 0.809 0.021 . 1 . . 699 . . 51 LEU HD21 . 18863 1 618 . 1 1 69 69 LEU HD22 H 1 0.809 0.021 . 1 . . 699 . . 51 LEU HD22 . 18863 1 619 . 1 1 69 69 LEU HD23 H 1 0.809 0.021 . 1 . . 699 . . 51 LEU HD23 . 18863 1 620 . 1 1 69 69 LEU C C 13 179.671 0.298 . 1 . . 562 . . 51 LEU C . 18863 1 621 . 1 1 69 69 LEU CA C 13 59.172 0.073 . 1 . . 367 . . 51 LEU CA . 18863 1 622 . 1 1 69 69 LEU CB C 13 43.245 0.006 . 1 . . 693 . . 51 LEU CB . 18863 1 623 . 1 1 69 69 LEU CG C 13 28.640 0.041 . 1 . . 696 . . 51 LEU CG . 18863 1 624 . 1 1 69 69 LEU CD1 C 13 25.734 0.041 . 1 . . 698 . . 51 LEU CD1 . 18863 1 625 . 1 1 69 69 LEU CD2 C 13 25.685 0.041 . 1 . . 700 . . 51 LEU CD2 . 18863 1 626 . 1 1 69 69 LEU N N 15 116.129 0.08 . 1 . . 136 . . 51 LEU N . 18863 1 627 . 1 1 70 70 LEU H H 1 7.831 0.013 . 1 . . 79 . . 52 LEU H . 18863 1 628 . 1 1 70 70 LEU HA H 1 3.906 0.0 . 1 . . 370 . . 52 LEU HA . 18863 1 629 . 1 1 70 70 LEU HB2 H 1 1.590 0.021 . 1 . . 701 . . 52 LEU HB2 . 18863 1 630 . 1 1 70 70 LEU HB3 H 1 1.538 0.016 . 1 . . 702 . . 52 LEU HB3 . 18863 1 631 . 1 1 70 70 LEU CA C 13 59.689 0.073 . 1 . . 371 . . 52 LEU CA . 18863 1 632 . 1 1 70 70 LEU CB C 13 43.126 0.049 . 1 . . 592 . . 52 LEU CB . 18863 1 633 . 1 1 70 70 LEU N N 15 119.629 0.147 . 1 . . 80 . . 52 LEU N . 18863 1 634 . 1 1 71 71 LEU H H 1 7.828 0.009 . 1 . . 109 . . 53 LEU H . 18863 1 635 . 1 1 71 71 LEU HA H 1 4.015 0.029 . 1 . . 703 . . 53 LEU HA . 18863 1 636 . 1 1 71 71 LEU HB2 H 1 1.801 0.021 . 1 . . 704 . . 53 LEU HB2 . 18863 1 637 . 1 1 71 71 LEU HB3 H 1 1.652 0.021 . 1 . . 705 . . 53 LEU HB3 . 18863 1 638 . 1 1 71 71 LEU HG H 1 1.492 0.021 . 1 . . 749 . . 53 LEU HG . 18863 1 639 . 1 1 71 71 LEU CA C 13 59.491 0.013 . 1 . . 589 . . 53 LEU CA . 18863 1 640 . 1 1 71 71 LEU CB C 13 43.147 0.115 . 1 . . 591 . . 53 LEU CB . 18863 1 641 . 1 1 71 71 LEU N N 15 117.945 0.134 . 1 . . 110 . . 53 LEU N . 18863 1 642 . 1 1 72 72 LEU H H 1 7.513 0.001 . 1 . . 93 . . 54 LEU H . 18863 1 643 . 1 1 72 72 LEU HA H 1 3.961 0.003 . 1 . . 706 . . 54 LEU HA . 18863 1 644 . 1 1 72 72 LEU HB2 H 1 1.711 0.021 . 1 . . 707 . . 54 LEU HB2 . 18863 1 645 . 1 1 72 72 LEU HB3 H 1 1.677 0.021 . 1 . . 708 . . 54 LEU HB3 . 18863 1 646 . 1 1 72 72 LEU CA C 13 59.528 0.043 . 1 . . 588 . . 54 LEU CA . 18863 1 647 . 1 1 72 72 LEU CB C 13 43.432 0.066 . 1 . . 590 . . 54 LEU CB . 18863 1 648 . 1 1 72 72 LEU N N 15 119.409 0.009 . 1 . . 94 . . 54 LEU N . 18863 1 649 . 1 1 73 73 LEU H H 1 7.822 0.002 . 1 . . 103 . . 55 LEU H . 18863 1 650 . 1 1 73 73 LEU HA H 1 4.000 0.029 . 1 . . 709 . . 55 LEU HA . 18863 1 651 . 1 1 73 73 LEU HB2 H 1 1.857 0.021 . 1 . . 710 . . 55 LEU HB2 . 18863 1 652 . 1 1 73 73 LEU HB3 H 1 1.841 0.021 . 1 . . 711 . . 55 LEU HB3 . 18863 1 653 . 1 1 73 73 LEU C C 13 180.043 0.298 . 1 . . 564 . . 55 LEU C . 18863 1 654 . 1 1 73 73 LEU CA C 13 59.214 0.125 . 1 . . 586 . . 55 LEU CA . 18863 1 655 . 1 1 73 73 LEU CB C 13 43.476 0.024 . 1 . . 587 . . 55 LEU CB . 18863 1 656 . 1 1 73 73 LEU N N 15 118.344 0.058 . 1 . . 104 . . 55 LEU N . 18863 1 657 . 1 1 74 74 LEU H H 1 7.748 0.012 . 1 . . 125 . . 56 LEU H . 18863 1 658 . 1 1 74 74 LEU HA H 1 4.064 0.029 . 1 . . 712 . . 56 LEU HA . 18863 1 659 . 1 1 74 74 LEU HB2 H 1 1.831 0.021 . 1 . . 713 . . 56 LEU HB2 . 18863 1 660 . 1 1 74 74 LEU HB3 H 1 1.442 0.021 . 1 . . 714 . . 56 LEU HB3 . 18863 1 661 . 1 1 74 74 LEU HG H 1 1.815 0.021 . 1 . . 715 . . 56 LEU HG . 18863 1 662 . 1 1 74 74 LEU HD11 H 1 0.803 0.021 . 1 . . 717 . . 56 LEU HD11 . 18863 1 663 . 1 1 74 74 LEU HD12 H 1 0.803 0.021 . 1 . . 717 . . 56 LEU HD12 . 18863 1 664 . 1 1 74 74 LEU HD13 H 1 0.803 0.021 . 1 . . 717 . . 56 LEU HD13 . 18863 1 665 . 1 1 74 74 LEU HD21 H 1 0.785 0.021 . 1 . . 719 . . 56 LEU HD21 . 18863 1 666 . 1 1 74 74 LEU HD22 H 1 0.785 0.021 . 1 . . 719 . . 56 LEU HD22 . 18863 1 667 . 1 1 74 74 LEU HD23 H 1 0.785 0.021 . 1 . . 719 . . 56 LEU HD23 . 18863 1 668 . 1 1 74 74 LEU C C 13 178.754 0.298 . 1 . . 565 . . 56 LEU C . 18863 1 669 . 1 1 74 74 LEU CA C 13 58.039 0.073 . 1 . . 234 . . 56 LEU CA . 18863 1 670 . 1 1 74 74 LEU CB C 13 43.754 0.018 . 1 . . 593 . . 56 LEU CB . 18863 1 671 . 1 1 74 74 LEU CG C 13 28.406 0.041 . 1 . . 716 . . 56 LEU CG . 18863 1 672 . 1 1 74 74 LEU CD1 C 13 26.531 0.041 . 1 . . 718 . . 56 LEU CD1 . 18863 1 673 . 1 1 74 74 LEU CD2 C 13 24.212 0.041 . 1 . . 720 . . 56 LEU CD2 . 18863 1 674 . 1 1 74 74 LEU N N 15 117.210 0.096 . 1 . . 126 . . 56 LEU N . 18863 1 675 . 1 1 75 75 ALA H H 1 7.630 0.012 . 1 . . 77 . . 57 ALA H . 18863 1 676 . 1 1 75 75 ALA HA H 1 4.197 0.013 . 1 . . 374 . . 57 ALA HA . 18863 1 677 . 1 1 75 75 ALA HB1 H 1 1.388 0.021 . 1 . . 376 . . 57 ALA HB1 . 18863 1 678 . 1 1 75 75 ALA HB2 H 1 1.388 0.021 . 1 . . 376 . . 57 ALA HB2 . 18863 1 679 . 1 1 75 75 ALA HB3 H 1 1.388 0.021 . 1 . . 376 . . 57 ALA HB3 . 18863 1 680 . 1 1 75 75 ALA C C 13 178.868 0.298 . 1 . . 566 . . 57 ALA C . 18863 1 681 . 1 1 75 75 ALA CA C 13 54.353 0.032 . 1 . . 221 . . 57 ALA CA . 18863 1 682 . 1 1 75 75 ALA CB C 13 20.595 0.054 . 1 . . 377 . . 57 ALA CB . 18863 1 683 . 1 1 75 75 ALA N N 15 119.870 0.088 . 1 . . 78 . . 57 ALA N . 18863 1 684 . 1 1 76 76 LEU H H 1 7.637 0.005 . 1 . . 97 . . 58 LEU H . 18863 1 685 . 1 1 76 76 LEU HB2 H 1 1.753 0.006 . 1 . . 746 . . 58 LEU HB2 . 18863 1 686 . 1 1 76 76 LEU HB3 H 1 1.461 0.021 . 1 . . 748 . . 58 LEU HB3 . 18863 1 687 . 1 1 76 76 LEU CA C 13 57.295 0.073 . 1 . . 222 . . 58 LEU CA . 18863 1 688 . 1 1 76 76 LEU CB C 13 43.286 0.019 . 1 . . 747 . . 58 LEU CB . 18863 1 689 . 1 1 76 76 LEU N N 15 119.139 0.105 . 1 . . 98 . . 58 LEU N . 18863 1 690 . 1 1 78 78 PRO HA H 1 4.269 0.019 . 1 . . 751 . . 60 PRO HA . 18863 1 691 . 1 1 78 78 PRO C C 13 179.039 0.298 . 1 . . 567 . . 60 PRO C . 18863 1 692 . 1 1 78 78 PRO CA C 13 66.774 0.073 . 1 . . 752 . . 60 PRO CA . 18863 1 693 . 1 1 79 79 ARG H H 1 7.704 0.019 . 1 . . 115 . . 61 ARG H . 18863 1 694 . 1 1 79 79 ARG HA H 1 4.063 0.045 . 1 . . 501 . . 61 ARG HA . 18863 1 695 . 1 1 79 79 ARG HB2 H 1 2.033 0.021 . 1 . . 503 . . 61 ARG HB2 . 18863 1 696 . 1 1 79 79 ARG HB3 H 1 1.933 0.021 . 1 . . 505 . . 61 ARG HB3 . 18863 1 697 . 1 1 79 79 ARG C C 13 178.213 0.298 . 1 . . 568 . . 61 ARG C . 18863 1 698 . 1 1 79 79 ARG CA C 13 59.324 0.066 . 1 . . 213 . . 61 ARG CA . 18863 1 699 . 1 1 79 79 ARG CB C 13 31.063 0.03 . 1 . . 504 . . 61 ARG CB . 18863 1 700 . 1 1 79 79 ARG N N 15 117.896 0.088 . 1 . . 116 . . 61 ARG N . 18863 1 701 . 1 1 80 80 ALA H H 1 8.161 0.007 . 1 . . 21 . . 62 ALA H . 18863 1 702 . 1 1 80 80 ALA HA H 1 4.074 0.03 . 1 . . 460 . . 62 ALA HA . 18863 1 703 . 1 1 80 80 ALA HB1 H 1 1.280 0.015 . 1 . . 462 . . 62 ALA HB1 . 18863 1 704 . 1 1 80 80 ALA HB2 H 1 1.280 0.015 . 1 . . 462 . . 62 ALA HB2 . 18863 1 705 . 1 1 80 80 ALA HB3 H 1 1.280 0.015 . 1 . . 462 . . 62 ALA HB3 . 18863 1 706 . 1 1 80 80 ALA C C 13 179.703 0.298 . 1 . . 569 . . 62 ALA C . 18863 1 707 . 1 1 80 80 ALA CA C 13 55.571 0.073 . 1 . . 461 . . 62 ALA CA . 18863 1 708 . 1 1 80 80 ALA CB C 13 20.255 0.054 . 1 . . 463 . . 62 ALA CB . 18863 1 709 . 1 1 80 80 ALA N N 15 122.652 0.02 . 1 . . 22 . . 62 ALA N . 18863 1 710 . 1 1 81 81 TYR H H 1 7.958 0.019 . 1 . . 113 . . 63 TYR H . 18863 1 711 . 1 1 81 81 TYR HA H 1 4.144 0.029 . 1 . . 378 . . 63 TYR HA . 18863 1 712 . 1 1 81 81 TYR HB2 H 1 2.982 0.021 . 1 . . 721 . . 63 TYR HB2 . 18863 1 713 . 1 1 81 81 TYR HB3 H 1 2.882 0.021 . 1 . . 464 . . 63 TYR HB3 . 18863 1 714 . 1 1 81 81 TYR HD1 H 1 6.897 0.001 . 3 . . 722 . . 63 TYR HD1 . 18863 1 715 . 1 1 81 81 TYR HD2 H 1 6.897 0.001 . 3 . . 722 . . 63 TYR HD2 . 18863 1 716 . 1 1 81 81 TYR HE1 H 1 6.569 0.004 . 3 . . 724 . . 63 TYR HE1 . 18863 1 717 . 1 1 81 81 TYR HE2 H 1 6.569 0.004 . 3 . . 724 . . 63 TYR HE2 . 18863 1 718 . 1 1 81 81 TYR C C 13 177.824 0.298 . 1 . . 570 . . 63 TYR C . 18863 1 719 . 1 1 81 81 TYR CA C 13 61.526 0.04 . 1 . . 211 . . 63 TYR CA . 18863 1 720 . 1 1 81 81 TYR CB C 13 39.898 0.005 . 1 . . 465 . . 63 TYR CB . 18863 1 721 . 1 1 81 81 TYR CD1 C 13 133.998 0.041 . 3 . . 723 . . 63 TYR CD1 . 18863 1 722 . 1 1 81 81 TYR CD2 C 13 133.998 0.041 . 3 . . 723 . . 63 TYR CD2 . 18863 1 723 . 1 1 81 81 TYR CE1 C 13 118.841 0.041 . 3 . . 725 . . 63 TYR CE1 . 18863 1 724 . 1 1 81 81 TYR CE2 C 13 118.841 0.041 . 3 . . 725 . . 63 TYR CE2 . 18863 1 725 . 1 1 81 81 TYR N N 15 117.821 0.08 . 1 . . 114 . . 63 TYR N . 18863 1 726 . 1 1 82 82 ALA H H 1 7.914 0.01 . 1 . . 29 . . 64 ALA H . 18863 1 727 . 1 1 82 82 ALA HA H 1 4.035 0.039 . 1 . . 442 . . 64 ALA HA . 18863 1 728 . 1 1 82 82 ALA HB1 H 1 1.323 0.009 . 1 . . 443 . . 64 ALA HB1 . 18863 1 729 . 1 1 82 82 ALA HB2 H 1 1.323 0.009 . 1 . . 443 . . 64 ALA HB2 . 18863 1 730 . 1 1 82 82 ALA HB3 H 1 1.323 0.009 . 1 . . 443 . . 64 ALA HB3 . 18863 1 731 . 1 1 82 82 ALA C C 13 179.637 0.298 . 1 . . 571 . . 64 ALA C . 18863 1 732 . 1 1 82 82 ALA CA C 13 55.437 0.049 . 1 . . 210 . . 64 ALA CA . 18863 1 733 . 1 1 82 82 ALA CB C 13 19.979 0.054 . 1 . . 444 . . 64 ALA CB . 18863 1 734 . 1 1 82 82 ALA N N 15 121.804 0.163 . 1 . . 30 . . 64 ALA N . 18863 1 735 . 1 1 83 83 ALA H H 1 7.877 0.015 . 1 . . 69 . . 65 ALA H . 18863 1 736 . 1 1 83 83 ALA HA H 1 4.074 0.024 . 1 . . 447 . . 65 ALA HA . 18863 1 737 . 1 1 83 83 ALA HB1 H 1 1.328 0.021 . 1 . . 445 . . 65 ALA HB1 . 18863 1 738 . 1 1 83 83 ALA HB2 H 1 1.328 0.021 . 1 . . 445 . . 65 ALA HB2 . 18863 1 739 . 1 1 83 83 ALA HB3 H 1 1.328 0.021 . 1 . . 445 . . 65 ALA HB3 . 18863 1 740 . 1 1 83 83 ALA C C 13 179.256 0.298 . 1 . . 572 . . 65 ALA C . 18863 1 741 . 1 1 83 83 ALA CA C 13 55.167 0.008 . 1 . . 209 . . 65 ALA CA . 18863 1 742 . 1 1 83 83 ALA CB C 13 20.147 0.054 . 1 . . 446 . . 65 ALA CB . 18863 1 743 . 1 1 83 83 ALA N N 15 120.321 0.152 . 1 . . 70 . . 65 ALA N . 18863 1 744 . 1 1 84 84 ALA H H 1 7.782 0.002 . 1 . . 67 . . 66 ALA H . 18863 1 745 . 1 1 84 84 ALA HA H 1 4.127 0.029 . 1 . . 449 . . 66 ALA HA . 18863 1 746 . 1 1 84 84 ALA HB1 H 1 1.315 0.021 . 1 . . 451 . . 66 ALA HB1 . 18863 1 747 . 1 1 84 84 ALA HB2 H 1 1.315 0.021 . 1 . . 451 . . 66 ALA HB2 . 18863 1 748 . 1 1 84 84 ALA HB3 H 1 1.315 0.021 . 1 . . 451 . . 66 ALA HB3 . 18863 1 749 . 1 1 84 84 ALA C C 13 178.081 0.298 . 1 . . 573 . . 66 ALA C . 18863 1 750 . 1 1 84 84 ALA CA C 13 54.534 0.01 . 1 . . 208 . . 66 ALA CA . 18863 1 751 . 1 1 84 84 ALA CB C 13 20.295 0.054 . 1 . . 452 . . 66 ALA CB . 18863 1 752 . 1 1 84 84 ALA N N 15 120.300 0.016 . 1 . . 68 . . 66 ALA N . 18863 1 753 . 1 1 85 85 ALA H H 1 7.708 0.004 . 1 . . 75 . . 67 ALA H . 18863 1 754 . 1 1 85 85 ALA HA H 1 4.270 0.029 . 1 . . 455 . . 67 ALA HA . 18863 1 755 . 1 1 85 85 ALA HB1 H 1 1.231 0.021 . 1 . . 453 . . 67 ALA HB1 . 18863 1 756 . 1 1 85 85 ALA HB2 H 1 1.231 0.021 . 1 . . 453 . . 67 ALA HB2 . 18863 1 757 . 1 1 85 85 ALA HB3 H 1 1.231 0.021 . 1 . . 453 . . 67 ALA HB3 . 18863 1 758 . 1 1 85 85 ALA C C 13 177.735 0.298 . 1 . . 574 . . 67 ALA C . 18863 1 759 . 1 1 85 85 ALA CA C 13 53.291 0.033 . 1 . . 207 . . 67 ALA CA . 18863 1 760 . 1 1 85 85 ALA CB C 13 20.425 0.054 . 1 . . 454 . . 67 ALA CB . 18863 1 761 . 1 1 85 85 ALA N N 15 119.792 0.028 . 1 . . 76 . . 67 ALA N . 18863 1 762 . 1 1 86 86 SER H H 1 7.577 0.006 . 1 . . 143 . . 68 SER H . 18863 1 763 . 1 1 86 86 SER HA H 1 3.811 0.029 . 1 . . 456 . . 68 SER HA . 18863 1 764 . 1 1 86 86 SER HB2 H 1 4.119 0.021 . 1 . . 486 . . 68 SER HB2 . 18863 1 765 . 1 1 86 86 SER HB3 H 1 4.076 0.021 . 1 . . 489 . . 68 SER HB3 . 18863 1 766 . 1 1 86 86 SER CA C 13 59.619 0.073 . 1 . . 457 . . 68 SER CA . 18863 1 767 . 1 1 86 86 SER CB C 13 65.802 0.054 . 1 . . 459 . . 68 SER CB . 18863 1 768 . 1 1 86 86 SER N N 15 114.021 0.026 . 1 . . 144 . . 68 SER N . 18863 1 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 18863 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D HNCA' _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 . . 2402.344 . . . . . . . 18863 1 2 . . C 13 13C . . 3800.000 . . . . . . . 18863 1 3 . . N 15 15N . . 1650.029 . . . . . . . 18863 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 1 2 1.0 . . 18863 1 3 1.0 . . 18863 1 4 1.0 . . 18863 1 5 1.0 . . 18863 1 6 1.0 . . 18863 1 7 1.0 . . 18863 1 8 1.0 . . 18863 1 9 1.0 . . 18863 1 10 1.0 . . 18863 1 11 1.0 . . 18863 1 12 1.0 . . 18863 1 13 1.0 . . 18863 1 14 1.0 . . 18863 1 15 1.0 . . 18863 1 16 1.0 . . 18863 1 17 1.0 . . 18863 1 18 1.0 . . 18863 1 19 1.0 . . 18863 1 20 1.0 . . 18863 1 21 1.0 . . 18863 1 22 1.0 . . 18863 1 23 1.0 . . 18863 1 24 1.0 . . 18863 1 25 1.0 . . 18863 1 26 1.0 . . 18863 1 27 1.0 . . 18863 1 28 1.0 . . 18863 1 29 1.0 . . 18863 1 30 1.0 . . 18863 1 31 1.0 . . 18863 1 32 1.0 . . 18863 1 33 1.0 . . 18863 1 34 1.0 . . 18863 1 35 1.0 . . 18863 1 36 1.0 . . 18863 1 37 1.0 . . 18863 1 38 1.0 . . 18863 1 39 1.0 . . 18863 1 40 1.0 . . 18863 1 41 1.0 . . 18863 1 42 1.0 . . 18863 1 43 1.0 . . 18863 1 44 1.0 . . 18863 1 45 1.0 . . 18863 1 46 1.0 . . 18863 1 47 1.0 . . 18863 1 48 1.0 . . 18863 1 49 1.0 . . 18863 1 50 1.0 . . 18863 1 51 1.0 . . 18863 1 52 1.0 . . 18863 1 53 1.0 . . 18863 1 54 1.0 . . 18863 1 55 1.0 . . 18863 1 56 1.0 . . 18863 1 57 1.0 . . 18863 1 58 1.0 . . 18863 1 59 1.0 . . 18863 1 60 1.0 . . 18863 1 61 1.0 . . 18863 1 62 1.0 . . 18863 1 63 1.0 . . 18863 1 64 1.0 . . 18863 1 65 1.0 . . 18863 1 66 1.0 . . 18863 1 67 1.0 . . 18863 1 68 1.0 . . 18863 1 69 1.0 . . 18863 1 70 1.0 . . 18863 1 71 1.0 . . 18863 1 72 1.0 . . 18863 1 73 1.0 . . 18863 1 74 1.0 . . 18863 1 75 1.0 . . 18863 1 76 1.0 . . 18863 1 77 1.0 . . 18863 1 78 1.0 . . 18863 1 79 1.0 . . 18863 1 80 1.0 . . 18863 1 81 1.0 . . 18863 1 82 1.0 . . 18863 1 83 1.0 . . 18863 1 84 1.0 . . 18863 1 85 1.0 . . 18863 1 86 1.0 . . 18863 1 87 1.0 . . 18863 1 88 1.0 . . 18863 1 89 1.0 . . 18863 1 90 1.0 . . 18863 1 91 1.0 . . 18863 1 92 1.0 . . 18863 1 93 1.0 . . 18863 1 94 1.0 . . 18863 1 95 1.0 . . 18863 1 96 1.0 . . 18863 1 97 1.0 . . 18863 1 98 1.0 . . 18863 1 99 1.0 . . 18863 1 100 1.0 . . 18863 1 101 1.0 . . 18863 1 102 1.0 . . 18863 1 103 1.0 . . 18863 1 104 1.0 . . 18863 1 105 1.0 . . 18863 1 106 1.0 . . 18863 1 107 1.0 . . 18863 1 108 1.0 . . 18863 1 109 1.0 . . 18863 1 110 1.0 . . 18863 1 111 1.0 . . 18863 1 112 1.0 . . 18863 1 113 1.0 . . 18863 1 114 1.0 . . 18863 1 115 1.0 . . 18863 1 116 1.0 . . 18863 1 117 1.0 . . 18863 1 118 1.0 . . 18863 1 119 1.0 . . 18863 1 120 1.0 . . 18863 1 121 1.0 . . 18863 1 122 1.0 . . 18863 1 123 1.0 . . 18863 1 124 1.0 . . 18863 1 125 1.0 . . 18863 1 126 1.0 . . 18863 1 127 1.0 . . 18863 1 128 1.0 . . 18863 1 129 1.0 . . 18863 1 130 1.0 . . 18863 1 131 1.0 . . 18863 1 132 1.0 . . 18863 1 133 1.0 . . 18863 1 134 1.0 . . 18863 1 135 1.0 . . 18863 1 136 1.0 . . 18863 1 137 1.0 . . 18863 1 138 1.0 . . 18863 1 139 1.0 . . 18863 1 140 1.0 . . 18863 1 141 1.0 . . 18863 1 142 1.0 . . 18863 1 143 1.0 . . 18863 1 144 1.0 . . 18863 1 145 1.0 . . 18863 1 146 1.0 . . 18863 1 147 1.0 . . 18863 1 148 1.0 . . 18863 1 149 1.0 . . 18863 1 150 1.0 . . 18863 1 151 1.0 . . 18863 1 152 1.0 . . 18863 1 153 1.0 . . 18863 1 154 1.0 . . 18863 1 155 1.0 . . 18863 1 156 1.0 . . 18863 1 157 1.0 . . 18863 1 158 1.0 . . 18863 1 159 1.0 . . 18863 1 160 1.0 . . 18863 1 161 1.0 . . 18863 1 162 1.0 . . 18863 1 163 1.0 . . 18863 1 164 1.0 . . 18863 1 165 1.0 . . 18863 1 166 1.0 . . 18863 1 167 1.0 . . 18863 1 168 1.0 . . 18863 1 169 1.0 . . 18863 1 170 1.0 . . 18863 1 171 1.0 . . 18863 1 172 1.0 . . 18863 1 173 1.0 . . 18863 1 174 1.0 . . 18863 1 175 1.0 . . 18863 1 176 1.0 . . 18863 1 177 1.0 . . 18863 1 178 1.0 . . 18863 1 179 1.0 . . 18863 1 180 1.0 . . 18863 1 181 1.0 . . 18863 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 9208724.00000 . height 18863 1 1 136511494.50000 . volume 18863 1 2 2341269.75000 . height 18863 1 2 40568918.56250 . volume 18863 1 3 24480342.00000 . height 18863 1 3 340518166.50000 . volume 18863 1 4 8180462.00000 . height 18863 1 4 113814231.25000 . volume 18863 1 5 10479339.00000 . height 18863 1 5 153613826.00000 . volume 18863 1 6 3703092.00000 . height 18863 1 6 52702128.43750 . volume 18863 1 7 11889455.00000 . height 18863 1 7 165474487.75000 . volume 18863 1 8 3292786.25000 . height 18863 1 8 43160556.15620 . volume 18863 1 9 8649625.00000 . height 18863 1 9 127965719.25000 . volume 18863 1 10 7682767.00000 . height 18863 1 10 111140497.12500 . volume 18863 1 11 2294366.00000 . height 18863 1 11 29618002.37500 . volume 18863 1 12 3530941.50000 . height 18863 1 12 45898105.37500 . volume 18863 1 13 3171960.25000 . height 18863 1 13 45443427.06250 . volume 18863 1 14 8075009.00000 . height 18863 1 14 120036349.75000 . volume 18863 1 15 7770526.50000 . height 18863 1 15 111206436.75000 . volume 18863 1 16 26616714.00000 . height 18863 1 16 371146385.00000 . volume 18863 1 17 3710945.25000 . height 18863 1 17 49178400.31250 . volume 18863 1 18 10493106.00000 . height 18863 1 18 144209510.25000 . volume 18863 1 19 12805354.00000 . height 18863 1 19 183591370.75000 . volume 18863 1 20 30300744.00000 . height 18863 1 20 412910231.50000 . volume 18863 1 21 2415289.50000 . height 18863 1 21 42417989.81250 . volume 18863 1 22 8060695.00000 . height 18863 1 22 126067525.00000 . volume 18863 1 23 3056534.00000 . height 18863 1 23 53104938.33590 . volume 18863 1 24 11190260.00000 . height 18863 1 24 178243611.75000 . volume 18863 1 25 14913092.00000 . height 18863 1 25 215259062.25000 . volume 18863 1 26 4522998.50000 . height 18863 1 26 52388231.50000 . volume 18863 1 27 4468008.50000 . height 18863 1 27 64826376.06250 . volume 18863 1 28 3216291.50000 . height 18863 1 28 39411968.48440 . volume 18863 1 29 13220109.00000 . height 18863 1 29 178222141.12500 . volume 18863 1 30 36649248.00000 . height 18863 1 30 513625838.00000 . volume 18863 1 31 7940668.00000 . height 18863 1 31 111775637.00000 . volume 18863 1 32 9063620.00000 . height 18863 1 32 146401827.50000 . volume 18863 1 33 2240954.25000 . height 18863 1 33 32927442.00000 . volume 18863 1 34 24721968.00000 . height 18863 1 34 355130175.25000 . volume 18863 1 35 2365176.50000 . height 18863 1 35 37521422.31250 . volume 18863 1 36 12595155.00000 . height 18863 1 36 189149293.00000 . volume 18863 1 37 3646695.50000 . height 18863 1 37 58059482.31250 . volume 18863 1 38 4321947.50000 . height 18863 1 38 61599941.70310 . volume 18863 1 39 9175096.00000 . height 18863 1 39 139544381.25000 . volume 18863 1 40 9224192.00000 . height 18863 1 40 154219418.00000 . volume 18863 1 41 3394490.50000 . height 18863 1 41 54685035.50000 . volume 18863 1 42 2784061.50000 . height 18863 1 42 33927086.79690 . volume 18863 1 43 2315364.75000 . height 18863 1 43 35897678.81250 . volume 18863 1 44 12149784.00000 . height 18863 1 44 172412176.25000 . volume 18863 1 45 9488793.00000 . height 18863 1 45 145428155.75000 . volume 18863 1 46 3081895.25000 . height 18863 1 46 55374210.87500 . volume 18863 1 47 4424935.00000 . height 18863 1 47 66442534.50000 . volume 18863 1 48 12939231.00000 . height 18863 1 48 198830084.50000 . volume 18863 1 49 11733124.00000 . height 18863 1 49 162964939.00000 . volume 18863 1 50 8026527.00000 . height 18863 1 50 107930609.75000 . volume 18863 1 51 6685852.00000 . height 18863 1 51 102325555.50000 . volume 18863 1 52 5653364.50000 . height 18863 1 52 100499845.12500 . volume 18863 1 53 6917757.50000 . height 18863 1 53 107615545.12500 . volume 18863 1 54 15071242.00000 . height 18863 1 54 221312481.50000 . volume 18863 1 55 2751632.25000 . height 18863 1 55 39564543.96090 . volume 18863 1 56 6630345.00000 . height 18863 1 56 90801592.72070 . volume 18863 1 57 6869191.50000 . height 18863 1 57 107956392.87500 . volume 18863 1 58 2827662.25000 . height 18863 1 58 55358045.06250 . volume 18863 1 59 9749319.00000 . height 18863 1 59 143687886.00000 . volume 18863 1 60 12258261.00000 . height 18863 1 60 181627959.00000 . volume 18863 1 61 2140225.25000 . height 18863 1 61 35876742.28910 . volume 18863 1 62 12368739.00000 . height 18863 1 62 177539818.75000 . volume 18863 1 63 1995137.12500 . height 18863 1 63 33047229.47660 . volume 18863 1 64 9508722.00000 . height 18863 1 64 138572795.75000 . volume 18863 1 65 2471246.50000 . height 18863 1 65 28464679.09380 . volume 18863 1 66 2958414.75000 . height 18863 1 66 43858270.00000 . volume 18863 1 67 11667095.00000 . height 18863 1 67 180536550.25000 . volume 18863 1 68 2879535.50000 . height 18863 1 68 46697317.09380 . volume 18863 1 69 9832436.00000 . height 18863 1 69 134128969.00000 . volume 18863 1 70 29894344.00000 . height 18863 1 70 443484660.00000 . volume 18863 1 71 47405508.00000 . height 18863 1 71 663983342.00000 . volume 18863 1 72 25349674.00000 . height 18863 1 72 355613785.00000 . volume 18863 1 73 46337424.00000 . height 18863 1 73 644178480.00000 . volume 18863 1 74 46937380.00000 . height 18863 1 74 702379204.50000 . volume 18863 1 75 2259801.00000 . height 18863 1 75 37876751.71880 . volume 18863 1 76 13850789.00000 . height 18863 1 76 223580132.25000 . volume 18863 1 77 6194814.00000 . height 18863 1 77 87283112.32810 . volume 18863 1 78 27935652.00000 . height 18863 1 78 399370067.00000 . volume 18863 1 79 2514891.50000 . height 18863 1 79 32306509.66800 . volume 18863 1 80 6964134.00000 . height 18863 1 80 101201841.37500 . volume 18863 1 81 3261140.25000 . height 18863 1 81 45584607.25000 . volume 18863 1 82 7861399.00000 . height 18863 1 82 120073391.62500 . volume 18863 1 83 3692053.75000 . height 18863 1 83 49907137.75000 . volume 18863 1 84 2098655.50000 . height 18863 1 84 41322960.56250 . volume 18863 1 85 32401266.00000 . height 18863 1 85 491244333.50000 . volume 18863 1 86 3191985.50000 . height 18863 1 86 50102735.42190 . volume 18863 1 87 8907733.00000 . height 18863 1 87 136981877.37500 . volume 18863 1 88 2369905.00000 . height 18863 1 88 29046780.31250 . volume 18863 1 89 4147692.50000 . height 18863 1 89 71828871.12500 . volume 18863 1 90 12122622.00000 . height 18863 1 90 198583317.25000 . volume 18863 1 91 32074184.00000 . height 18863 1 91 496015712.50000 . volume 18863 1 92 2858256.50000 . height 18863 1 92 36458513.32080 . volume 18863 1 93 8920689.00000 . height 18863 1 93 117927221.00000 . volume 18863 1 94 12741122.00000 . height 18863 1 94 200010177.50000 . volume 18863 1 95 3174253.25000 . height 18863 1 95 49123015.46880 . volume 18863 1 96 33049144.00000 . height 18863 1 96 487960461.50000 . volume 18863 1 97 13659088.00000 . height 18863 1 97 214414363.75000 . volume 18863 1 98 3437761.50000 . height 18863 1 98 59836809.62500 . volume 18863 1 99 11539921.00000 . height 18863 1 99 164729223.75000 . volume 18863 1 100 3392784.25000 . height 18863 1 100 50255994.59380 . volume 18863 1 101 7643659.00000 . height 18863 1 101 125339744.00000 . volume 18863 1 102 25038010.00000 . height 18863 1 102 345848836.50000 . volume 18863 1 103 12894150.00000 . height 18863 1 103 206790435.25000 . volume 18863 1 104 2037494.37500 . height 18863 1 104 27026770.18750 . volume 18863 1 105 3735253.75000 . height 18863 1 105 71194047.00000 . volume 18863 1 106 3910266.00000 . height 18863 1 106 62379283.37500 . volume 18863 1 107 9236931.00000 . height 18863 1 107 149576213.50000 . volume 18863 1 108 12767351.00000 . height 18863 1 108 179653177.50000 . volume 18863 1 109 2500994.25000 . height 18863 1 109 39731613.60940 . volume 18863 1 110 28379710.00000 . height 18863 1 110 515386258.00000 . volume 18863 1 111 12279929.00000 . height 18863 1 111 169789355.37500 . volume 18863 1 112 2164471.50000 . height 18863 1 112 27994086.70310 . volume 18863 1 113 4737899.50000 . height 18863 1 113 63706930.93750 . volume 18863 1 114 8258792.50000 . height 18863 1 114 119705277.00000 . volume 18863 1 115 2338138.50000 . height 18863 1 115 36435237.68750 . volume 18863 1 116 2136828.25000 . height 18863 1 116 24792783.51560 . volume 18863 1 117 38286072.00000 . height 18863 1 117 643036943.00000 . volume 18863 1 118 4576005.00000 . height 18863 1 118 90394310.25000 . volume 18863 1 119 4439070.50000 . height 18863 1 119 69280258.68750 . volume 18863 1 120 2625268.75000 . height 18863 1 120 44571663.43750 . volume 18863 1 121 12234776.00000 . height 18863 1 121 170506325.75000 . volume 18863 1 122 6989722.50000 . height 18863 1 122 102012113.93800 . volume 18863 1 123 27140156.00000 . height 18863 1 123 379068043.75000 . volume 18863 1 124 10831975.00000 . height 18863 1 124 150522660.50000 . volume 18863 1 125 6778268.00000 . height 18863 1 125 129256631.00000 . volume 18863 1 126 18140674.00000 . height 18863 1 126 265807291.50000 . volume 18863 1 127 3040147.00000 . height 18863 1 127 27580382.94530 . volume 18863 1 128 10523594.00000 . height 18863 1 128 158919222.87500 . volume 18863 1 129 23524138.00000 . height 18863 1 129 330645845.00000 . volume 18863 1 130 8965813.00000 . height 18863 1 130 116389604.93800 . volume 18863 1 131 22093550.00000 . height 18863 1 131 341666181.50000 . volume 18863 1 132 2801881.50000 . height 18863 1 132 39163650.62500 . volume 18863 1 133 10459057.00000 . height 18863 1 133 161032727.62500 . volume 18863 1 134 8392469.00000 . height 18863 1 134 128497347.50000 . volume 18863 1 135 24955650.00000 . height 18863 1 135 361264799.00000 . volume 18863 1 136 6300689.50000 . height 18863 1 136 85758857.87500 . volume 18863 1 137 17063964.00000 . height 18863 1 137 240456660.25000 . volume 18863 1 138 2006654.12500 . height 18863 1 138 35114846.40620 . volume 18863 1 139 3986769.25000 . height 18863 1 139 62509018.12500 . volume 18863 1 140 23645842.00000 . height 18863 1 140 336478073.62500 . volume 18863 1 141 33551020.00000 . height 18863 1 141 480695182.00000 . volume 18863 1 142 2054476.75000 . height 18863 1 142 31139611.28520 . volume 18863 1 143 8855565.00000 . height 18863 1 143 124345980.37500 . volume 18863 1 144 2026802.00000 . height 18863 1 144 21051722.38280 . volume 18863 1 145 2259977.25000 . height 18863 1 145 37847474.37500 . volume 18863 1 146 11675862.00000 . height 18863 1 146 155777389.50000 . volume 18863 1 147 9295643.00000 . height 18863 1 147 133783343.00000 . volume 18863 1 148 26911458.00000 . height 18863 1 148 387294681.50000 . volume 18863 1 149 3308407.00000 . height 18863 1 149 47299974.06250 . volume 18863 1 150 7760983.00000 . height 18863 1 150 113699651.37500 . volume 18863 1 151 3026920.25000 . height 18863 1 151 45994009.31250 . volume 18863 1 152 29269426.00000 . height 18863 1 152 429482146.50000 . volume 18863 1 153 11414639.00000 . height 18863 1 153 179264501.25000 . volume 18863 1 154 4937213.50000 . height 18863 1 154 65074169.25000 . volume 18863 1 155 3566475.00000 . height 18863 1 155 48384668.00000 . volume 18863 1 156 1952294.50000 . height 18863 1 156 37409972.25000 . volume 18863 1 157 44986420.00000 . height 18863 1 157 645516829.00000 . volume 18863 1 158 3324120.00000 . height 18863 1 158 40080561.31250 . volume 18863 1 159 3732392.75000 . height 18863 1 159 57474582.75000 . volume 18863 1 160 10629157.00000 . height 18863 1 160 143952763.75000 . volume 18863 1 161 1993959.50000 . height 18863 1 161 28204793.36720 . volume 18863 1 162 2731248.75000 . height 18863 1 162 35931691.98240 . volume 18863 1 163 14229952.00000 . height 18863 1 163 207881608.12500 . volume 18863 1 164 2481808.50000 . height 18863 1 164 41000549.56250 . volume 18863 1 165 7268622.50000 . height 18863 1 165 118215102.68800 . volume 18863 1 166 3847548.00000 . height 18863 1 166 57015883.50000 . volume 18863 1 167 2381897.25000 . height 18863 1 167 40984161.18550 . volume 18863 1 168 7473568.00000 . height 18863 1 168 121012266.62500 . volume 18863 1 169 1956464.12500 . height 18863 1 169 30760084.17550 . volume 18863 1 170 13881253.00000 . height 18863 1 170 201337041.62500 . volume 18863 1 171 2324680.25000 . height 18863 1 171 30274352.07810 . volume 18863 1 172 38839164.00000 . height 18863 1 172 576386262.00000 . volume 18863 1 173 7742490.00000 . height 18863 1 173 114240250.87500 . volume 18863 1 174 26347942.00000 . height 18863 1 174 373108740.50000 . volume 18863 1 175 13991759.00000 . height 18863 1 175 205720631.75000 . volume 18863 1 176 8286898.50000 . height 18863 1 176 113811133.75000 . volume 18863 1 177 2886587.50000 . height 18863 1 177 139808004.87500 . volume 18863 1 178 140987.18750 . height 18863 1 178 -1446400.28906 . volume 18863 1 179 610308.75000 . height 18863 1 179 6916089.64209 . volume 18863 1 180 -306944.90625 . height 18863 1 180 -6902155.61963 . volume 18863 1 181 -645740.06250 . height 18863 1 181 -11316728.30860 . volume 18863 1 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 8.338 . . . . . . . . . . . . 8 18863 1 1 2 56.912 . . . . . . . . . . . . 8 18863 1 1 3 125.006 . . . . . . . . . . . . 8 18863 1 2 1 8.343 . . . . . . . . . . . . 8 18863 1 2 2 48.559 . . . . . . . . . . . . 8 18863 1 2 3 124.990 . . . . . . . . . . . . 8 18863 1 3 1 7.933 . . . . . . . . . . . . 8 18863 1 3 2 56.007 . . . . . . . . . . . . 8 18863 1 3 3 123.895 . . . . . . . . . . . . 8 18863 1 4 1 7.933 . . . . . . . . . . . . 8 18863 1 4 2 47.994 . . . . . . . . . . . . 8 18863 1 4 3 123.891 . . . . . . . . . . . . 8 18863 1 5 1 8.306 . . . . . . . . . . . . 8 18863 1 5 2 57.105 . . . . . . . . . . . . 8 18863 1 5 3 123.688 . . . . . . . . . . . . 8 18863 1 6 1 8.538 . . . . . . . . . . . . 8 18863 1 6 2 58.457 . . . . . . . . . . . . 8 18863 1 6 3 123.518 . . . . . . . . . . . . 8 18863 1 7 1 8.540 . . . . . . . . . . . . 8 18863 1 7 2 57.199 . . . . . . . . . . . . 8 18863 1 7 3 123.502 . . . . . . . . . . . . 8 18863 1 9 1 8.122 . . . . . . . . . . . . 8 18863 1 9 2 68.285 . . . . . . . . . . . . 8 18863 1 9 3 123.057 . . . . . . . . . . . . 8 18863 1 10 1 8.240 . . . . . . . . . . . . 8 18863 1 10 2 66.513 . . . . . . . . . . . . 8 18863 1 10 3 123.081 . . . . . . . . . . . . 8 18863 1 12 1 8.235 . . . . . . . . . . . . 8 18863 1 12 2 48.835 . . . . . . . . . . . . 8 18863 1 12 3 123.073 . . . . . . . . . . . . 8 18863 1 13 1 8.315 . . . . . . . . . . . . 8 18863 1 13 2 65.881 . . . . . . . . . . . . 8 18863 1 13 3 122.865 . . . . . . . . . . . . 8 18863 1 14 1 8.315 . . . . . . . . . . . . 8 18863 1 14 2 57.103 . . . . . . . . . . . . 8 18863 1 14 3 122.865 . . . . . . . . . . . . 8 18863 1 15 1 7.999 . . . . . . . . . . . . 8 18863 1 15 2 64.923 . . . . . . . . . . . . 8 18863 1 15 3 122.691 . . . . . . . . . . . . 8 18863 1 16 1 8.000 . . . . . . . . . . . . 8 18863 1 16 2 62.788 . . . . . . . . . . . . 8 18863 1 16 3 122.684 . . . . . . . . . . . . 8 18863 1 17 1 8.107 . . . . . . . . . . . . 8 18863 1 17 2 60.516 . . . . . . . . . . . . 8 18863 1 17 3 122.614 . . . . . . . . . . . . 8 18863 1 18 1 8.160 . . . . . . . . . . . . 8 18863 1 18 2 59.369 . . . . . . . . . . . . 8 18863 1 18 3 122.649 . . . . . . . . . . . . 8 18863 1 19 1 8.105 . . . . . . . . . . . . 8 18863 1 19 2 56.979 . . . . . . . . . . . . 8 18863 1 19 3 122.640 . . . . . . . . . . . . 8 18863 1 20 1 8.160 . . . . . . . . . . . . 8 18863 1 20 2 55.539 . . . . . . . . . . . . 8 18863 1 20 3 122.648 . . . . . . . . . . . . 8 18863 1 22 1 8.095 . . . . . . . . . . . . 8 18863 1 22 2 63.634 . . . . . . . . . . . . 8 18863 1 22 3 122.387 . . . . . . . . . . . . 8 18863 1 23 1 8.021 . . . . . . . . . . . . 8 18863 1 23 2 62.086 . . . . . . . . . . . . 8 18863 1 23 3 122.344 . . . . . . . . . . . . 8 18863 1 24 1 8.020 . . . . . . . . . . . . 8 18863 1 24 2 56.826 . . . . . . . . . . . . 8 18863 1 24 3 122.383 . . . . . . . . . . . . 8 18863 1 25 1 7.821 . . . . . . . . . . . . 8 18863 1 25 2 54.340 . . . . . . . . . . . . 8 18863 1 25 3 122.392 . . . . . . . . . . . . 8 18863 1 27 1 7.819 . . . . . . . . . . . . 8 18863 1 27 2 56.947 . . . . . . . . . . . . 8 18863 1 27 3 122.317 . . . . . . . . . . . . 8 18863 1 29 1 7.908 . . . . . . . . . . . . 8 18863 1 29 2 61.476 . . . . . . . . . . . . 8 18863 1 29 3 121.730 . . . . . . . . . . . . 8 18863 1 30 1 7.908 . . . . . . . . . . . . 8 18863 1 30 2 55.388 . . . . . . . . . . . . 8 18863 1 30 3 121.730 . . . . . . . . . . . . 8 18863 1 31 1 7.858 . . . . . . . . . . . . 8 18863 1 31 2 62.102 . . . . . . . . . . . . 8 18863 1 31 3 121.551 . . . . . . . . . . . . 8 18863 1 32 1 8.161 . . . . . . . . . . . . 8 18863 1 32 2 60.497 . . . . . . . . . . . . 8 18863 1 32 3 121.535 . . . . . . . . . . . . 8 18863 1 33 1 8.160 . . . . . . . . . . . . 8 18863 1 33 2 57.855 . . . . . . . . . . . . 8 18863 1 33 3 121.564 . . . . . . . . . . . . 8 18863 1 34 1 7.857 . . . . . . . . . . . . 8 18863 1 34 2 56.143 . . . . . . . . . . . . 8 18863 1 34 3 121.554 . . . . . . . . . . . . 8 18863 1 35 1 8.273 . . . . . . . . . . . . 8 18863 1 35 2 63.781 . . . . . . . . . . . . 8 18863 1 35 3 121.287 . . . . . . . . . . . . 8 18863 1 36 1 8.541 . . . . . . . . . . . . 8 18863 1 36 2 57.774 . . . . . . . . . . . . 8 18863 1 36 3 121.433 . . . . . . . . . . . . 8 18863 1 38 1 8.268 . . . . . . . . . . . . 8 18863 1 38 2 56.624 . . . . . . . . . . . . 8 18863 1 38 3 121.292 . . . . . . . . . . . . 8 18863 1 39 1 8.130 . . . . . . . . . . . . 8 18863 1 39 2 68.700 . . . . . . . . . . . . 8 18863 1 39 3 121.069 . . . . . . . . . . . . 8 18863 1 40 1 8.155 . . . . . . . . . . . . 8 18863 1 40 2 61.131 . . . . . . . . . . . . 8 18863 1 40 3 121.141 . . . . . . . . . . . . 8 18863 1 41 1 8.307 . . . . . . . . . . . . 8 18863 1 41 2 68.850 . . . . . . . . . . . . 8 18863 1 41 3 120.931 . . . . . . . . . . . . 8 18863 1 42 1 8.156 . . . . . . . . . . . . 8 18863 1 42 2 62.601 . . . . . . . . . . . . 8 18863 1 42 3 120.990 . . . . . . . . . . . . 8 18863 1 44 1 7.955 . . . . . . . . . . . . 8 18863 1 44 2 59.874 . . . . . . . . . . . . 8 18863 1 44 3 121.000 . . . . . . . . . . . . 8 18863 1 45 1 8.304 . . . . . . . . . . . . 8 18863 1 45 2 59.809 . . . . . . . . . . . . 8 18863 1 45 3 120.941 . . . . . . . . . . . . 8 18863 1 46 1 8.129 . . . . . . . . . . . . 8 18863 1 46 2 59.794 . . . . . . . . . . . . 8 18863 1 46 3 121.010 . . . . . . . . . . . . 8 18863 1 47 1 7.956 . . . . . . . . . . . . 8 18863 1 47 2 57.750 . . . . . . . . . . . . 8 18863 1 47 3 121.058 . . . . . . . . . . . . 8 18863 1 48 1 8.581 . . . . . . . . . . . . 8 18863 1 48 2 56.784 . . . . . . . . . . . . 8 18863 1 48 3 120.928 . . . . . . . . . . . . 8 18863 1 49 1 8.796 . . . . . . . . . . . . 8 18863 1 49 2 63.418 . . . . . . . . . . . . 8 18863 1 49 3 120.758 . . . . . . . . . . . . 8 18863 1 50 1 8.054 . . . . . . . . . . . . 8 18863 1 50 2 63.262 . . . . . . . . . . . . 8 18863 1 50 3 120.689 . . . . . . . . . . . . 8 18863 1 53 1 8.284 . . . . . . . . . . . . 8 18863 1 53 2 68.978 . . . . . . . . . . . . 8 18863 1 53 3 120.478 . . . . . . . . . . . . 8 18863 1 54 1 8.053 . . . . . . . . . . . . 8 18863 1 54 2 68.807 . . . . . . . . . . . . 8 18863 1 54 3 120.584 . . . . . . . . . . . . 8 18863 1 55 1 8.342 . . . . . . . . . . . . 8 18863 1 55 2 63.631 . . . . . . . . . . . . 8 18863 1 55 3 120.460 . . . . . . . . . . . . 8 18863 1 56 1 8.204 . . . . . . . . . . . . 8 18863 1 56 2 63.207 . . . . . . . . . . . . 8 18863 1 56 3 120.616 . . . . . . . . . . . . 8 18863 1 57 1 8.342 . . . . . . . . . . . . 8 18863 1 57 2 60.077 . . . . . . . . . . . . 8 18863 1 57 3 120.474 . . . . . . . . . . . . 8 18863 1 58 1 8.287 . . . . . . . . . . . . 8 18863 1 58 2 60.005 . . . . . . . . . . . . 8 18863 1 58 3 120.528 . . . . . . . . . . . . 8 18863 1 59 1 8.080 . . . . . . . . . . . . 8 18863 1 59 2 59.903 . . . . . . . . . . . . 8 18863 1 59 3 120.536 . . . . . . . . . . . . 8 18863 1 60 1 8.390 . . . . . . . . . . . . 8 18863 1 60 2 57.867 . . . . . . . . . . . . 8 18863 1 60 3 120.580 . . . . . . . . . . . . 8 18863 1 61 1 8.222 . . . . . . . . . . . . 8 18863 1 61 2 57.852 . . . . . . . . . . . . 8 18863 1 61 3 120.487 . . . . . . . . . . . . 8 18863 1 62 1 8.247 . . . . . . . . . . . . 8 18863 1 62 2 56.944 . . . . . . . . . . . . 8 18863 1 62 3 120.502 . . . . . . . . . . . . 8 18863 1 64 1 8.284 . . . . . . . . . . . . 8 18863 1 64 2 62.588 . . . . . . . . . . . . 8 18863 1 64 3 120.331 . . . . . . . . . . . . 8 18863 1 66 1 8.505 . . . . . . . . . . . . 8 18863 1 66 2 59.815 . . . . . . . . . . . . 8 18863 1 66 3 120.384 . . . . . . . . . . . . 8 18863 1 67 1 8.504 . . . . . . . . . . . . 8 18863 1 67 2 58.445 . . . . . . . . . . . . 8 18863 1 67 3 120.395 . . . . . . . . . . . . 8 18863 1 68 1 8.280 . . . . . . . . . . . . 8 18863 1 68 2 57.801 . . . . . . . . . . . . 8 18863 1 68 3 120.398 . . . . . . . . . . . . 8 18863 1 69 1 8.193 . . . . . . . . . . . . 8 18863 1 69 2 57.823 . . . . . . . . . . . . 8 18863 1 69 3 120.308 . . . . . . . . . . . . 8 18863 1 70 1 8.023 . . . . . . . . . . . . 8 18863 1 70 2 56.356 . . . . . . . . . . . . 8 18863 1 70 3 120.259 . . . . . . . . . . . . 8 18863 1 71 1 7.779 . . . . . . . . . . . . 8 18863 1 71 2 54.544 . . . . . . . . . . . . 8 18863 1 71 3 120.291 . . . . . . . . . . . . 8 18863 1 72 1 8.179 . . . . . . . . . . . . 8 18863 1 72 2 64.773 . . . . . . . . . . . . 8 18863 1 72 3 120.106 . . . . . . . . . . . . 8 18863 1 73 1 8.179 . . . . . . . . . . . . 8 18863 1 73 2 56.531 . . . . . . . . . . . . 8 18863 1 73 3 120.107 . . . . . . . . . . . . 8 18863 1 74 1 7.874 . . . . . . . . . . . . 8 18863 1 74 2 55.159 . . . . . . . . . . . . 8 18863 1 74 3 120.208 . . . . . . . . . . . . 8 18863 1 75 1 7.654 . . . . . . . . . . . . 8 18863 1 75 2 62.108 . . . . . . . . . . . . 8 18863 1 75 3 119.844 . . . . . . . . . . . . 8 18863 1 76 1 8.531 . . . . . . . . . . . . 8 18863 1 76 2 57.875 . . . . . . . . . . . . 8 18863 1 76 3 119.977 . . . . . . . . . . . . 8 18863 1 77 1 7.635 . . . . . . . . . . . . 8 18863 1 77 2 57.971 . . . . . . . . . . . . 8 18863 1 77 3 119.834 . . . . . . . . . . . . 8 18863 1 78 1 7.632 . . . . . . . . . . . . 8 18863 1 78 2 54.322 . . . . . . . . . . . . 8 18863 1 78 3 119.823 . . . . . . . . . . . . 8 18863 1 80 1 8.230 . . . . . . . . . . . . 8 18863 1 80 2 66.451 . . . . . . . . . . . . 8 18863 1 80 3 119.676 . . . . . . . . . . . . 8 18863 1 81 1 8.232 . . . . . . . . . . . . 8 18863 1 81 2 63.269 . . . . . . . . . . . . 8 18863 1 81 3 119.668 . . . . . . . . . . . . 8 18863 1 82 1 8.084 . . . . . . . . . . . . 8 18863 1 82 2 62.294 . . . . . . . . . . . . 8 18863 1 82 3 119.734 . . . . . . . . . . . . 8 18863 1 83 1 8.470 . . . . . . . . . . . . 8 18863 1 83 2 61.146 . . . . . . . . . . . . 8 18863 1 83 3 119.637 . . . . . . . . . . . . 8 18863 1 85 1 7.818 . . . . . . . . . . . . 8 18863 1 85 2 59.441 . . . . . . . . . . . . 8 18863 1 85 3 119.711 . . . . . . . . . . . . 8 18863 1 87 1 8.470 . . . . . . . . . . . . 8 18863 1 87 2 57.837 . . . . . . . . . . . . 8 18863 1 87 3 119.629 . . . . . . . . . . . . 8 18863 1 89 1 8.081 . . . . . . . . . . . . 8 18863 1 89 2 56.888 . . . . . . . . . . . . 8 18863 1 89 3 119.577 . . . . . . . . . . . . 8 18863 1 90 1 7.707 . . . . . . . . . . . . 8 18863 1 90 2 54.473 . . . . . . . . . . . . 8 18863 1 90 3 119.774 . . . . . . . . . . . . 8 18863 1 91 1 7.706 . . . . . . . . . . . . 8 18863 1 91 2 53.258 . . . . . . . . . . . . 8 18863 1 91 3 119.771 . . . . . . . . . . . . 8 18863 1 92 1 8.078 . . . . . . . . . . . . 8 18863 1 92 2 66.504 . . . . . . . . . . . . 8 18863 1 92 3 119.448 . . . . . . . . . . . . 8 18863 1 93 1 8.077 . . . . . . . . . . . . 8 18863 1 93 2 61.265 . . . . . . . . . . . . 8 18863 1 93 3 119.456 . . . . . . . . . . . . 8 18863 1 94 1 8.179 . . . . . . . . . . . . 8 18863 1 94 2 60.887 . . . . . . . . . . . . 8 18863 1 94 3 119.491 . . . . . . . . . . . . 8 18863 1 95 1 8.182 . . . . . . . . . . . . 8 18863 1 95 2 59.681 . . . . . . . . . . . . 8 18863 1 95 3 119.516 . . . . . . . . . . . . 8 18863 1 96 1 7.512 . . . . . . . . . . . . 8 18863 1 96 2 59.570 . . . . . . . . . . . . 8 18863 1 96 3 119.400 . . . . . . . . . . . . 8 18863 1 97 1 7.960 . . . . . . . . . . . . 8 18863 1 97 2 57.009 . . . . . . . . . . . . 8 18863 1 97 3 119.507 . . . . . . . . . . . . 8 18863 1 98 1 8.067 . . . . . . . . . . . . 8 18863 1 98 2 56.802 . . . . . . . . . . . . 8 18863 1 98 3 119.430 . . . . . . . . . . . . 8 18863 1 99 1 7.613 . . . . . . . . . . . . 8 18863 1 99 2 61.877 . . . . . . . . . . . . 8 18863 1 99 3 119.264 . . . . . . . . . . . . 8 18863 1 100 1 7.611 . . . . . . . . . . . . 8 18863 1 100 2 60.780 . . . . . . . . . . . . 8 18863 1 100 3 119.237 . . . . . . . . . . . . 8 18863 1 102 1 7.640 . . . . . . . . . . . . 8 18863 1 102 2 57.295 . . . . . . . . . . . . 8 18863 1 102 3 119.064 . . . . . . . . . . . . 8 18863 1 103 1 7.640 . . . . . . . . . . . . 8 18863 1 103 2 54.326 . . . . . . . . . . . . 8 18863 1 103 3 119.094 . . . . . . . . . . . . 8 18863 1 106 1 8.389 . . . . . . . . . . . . 8 18863 1 106 2 60.892 . . . . . . . . . . . . 8 18863 1 106 3 118.541 . . . . . . . . . . . . 8 18863 1 107 1 8.021 . . . . . . . . . . . . 8 18863 1 107 2 59.693 . . . . . . . . . . . . 8 18863 1 107 3 118.716 . . . . . . . . . . . . 8 18863 1 108 1 8.389 . . . . . . . . . . . . 8 18863 1 108 2 57.735 . . . . . . . . . . . . 8 18863 1 108 3 118.574 . . . . . . . . . . . . 8 18863 1 109 1 8.018 . . . . . . . . . . . . 8 18863 1 109 2 56.972 . . . . . . . . . . . . 8 18863 1 109 3 118.724 . . . . . . . . . . . . 8 18863 1 110 1 7.820 . . . . . . . . . . . . 8 18863 1 110 2 59.172 . . . . . . . . . . . . 8 18863 1 110 3 118.320 . . . . . . . . . . . . 8 18863 1 111 1 7.487 . . . . . . . . . . . . 8 18863 1 111 2 58.485 . . . . . . . . . . . . 8 18863 1 111 3 118.242 . . . . . . . . . . . . 8 18863 1 113 1 7.486 . . . . . . . . . . . . 8 18863 1 113 2 47.949 . . . . . . . . . . . . 8 18863 1 113 3 118.215 . . . . . . . . . . . . 8 18863 1 114 1 8.395 . . . . . . . . . . . . 8 18863 1 114 2 65.866 . . . . . . . . . . . . 8 18863 1 114 3 117.990 . . . . . . . . . . . . 8 18863 1 115 1 8.394 . . . . . . . . . . . . 8 18863 1 115 2 63.458 . . . . . . . . . . . . 8 18863 1 115 3 118.019 . . . . . . . . . . . . 8 18863 1 117 1 7.828 . . . . . . . . . . . . 8 18863 1 117 2 59.477 . . . . . . . . . . . . 8 18863 1 117 3 118.045 . . . . . . . . . . . . 8 18863 1 119 1 7.583 . . . . . . . . . . . . 8 18863 1 119 2 58.444 . . . . . . . . . . . . 8 18863 1 119 3 117.949 . . . . . . . . . . . . 8 18863 1 121 1 7.583 . . . . . . . . . . . . 8 18863 1 121 2 56.943 . . . . . . . . . . . . 8 18863 1 121 3 117.961 . . . . . . . . . . . . 8 18863 1 122 1 7.695 . . . . . . . . . . . . 8 18863 1 122 2 66.545 . . . . . . . . . . . . 8 18863 1 122 3 117.824 . . . . . . . . . . . . 8 18863 1 123 1 7.968 . . . . . . . . . . . . 8 18863 1 123 2 61.486 . . . . . . . . . . . . 8 18863 1 123 3 117.820 . . . . . . . . . . . . 8 18863 1 124 1 7.777 . . . . . . . . . . . . 8 18863 1 124 2 60.079 . . . . . . . . . . . . 8 18863 1 124 3 117.750 . . . . . . . . . . . . 8 18863 1 125 1 7.795 . . . . . . . . . . . . 8 18863 1 125 2 59.385 . . . . . . . . . . . . 8 18863 1 125 3 117.865 . . . . . . . . . . . . 8 18863 1 126 1 7.696 . . . . . . . . . . . . 8 18863 1 126 2 59.390 . . . . . . . . . . . . 8 18863 1 126 3 117.819 . . . . . . . . . . . . 8 18863 1 127 1 7.776 . . . . . . . . . . . . 8 18863 1 127 2 57.049 . . . . . . . . . . . . 8 18863 1 127 3 117.782 . . . . . . . . . . . . 8 18863 1 128 1 7.967 . . . . . . . . . . . . 8 18863 1 128 2 55.533 . . . . . . . . . . . . 8 18863 1 128 3 117.836 . . . . . . . . . . . . 8 18863 1 129 1 7.893 . . . . . . . . . . . . 8 18863 1 129 2 62.105 . . . . . . . . . . . . 8 18863 1 129 3 117.501 . . . . . . . . . . . . 8 18863 1 130 1 7.894 . . . . . . . . . . . . 8 18863 1 130 2 56.433 . . . . . . . . . . . . 8 18863 1 130 3 117.504 . . . . . . . . . . . . 8 18863 1 131 1 7.673 . . . . . . . . . . . . 8 18863 1 131 2 64.925 . . . . . . . . . . . . 8 18863 1 131 3 117.291 . . . . . . . . . . . . 8 18863 1 133 1 7.675 . . . . . . . . . . . . 8 18863 1 133 2 47.335 . . . . . . . . . . . . 8 18863 1 133 3 117.273 . . . . . . . . . . . . 8 18863 1 134 1 7.744 . . . . . . . . . . . . 8 18863 1 134 2 59.109 . . . . . . . . . . . . 8 18863 1 134 3 117.138 . . . . . . . . . . . . 8 18863 1 135 1 7.744 . . . . . . . . . . . . 8 18863 1 135 2 57.966 . . . . . . . . . . . . 8 18863 1 135 3 117.151 . . . . . . . . . . . . 8 18863 1 136 1 7.926 . . . . . . . . . . . . 8 18863 1 136 2 66.725 . . . . . . . . . . . . 8 18863 1 136 3 116.906 . . . . . . . . . . . . 8 18863 1 137 1 7.928 . . . . . . . . . . . . 8 18863 1 137 2 60.787 . . . . . . . . . . . . 8 18863 1 137 3 116.930 . . . . . . . . . . . . 8 18863 1 140 1 7.880 . . . . . . . . . . . . 8 18863 1 140 2 61.752 . . . . . . . . . . . . 8 18863 1 140 3 116.658 . . . . . . . . . . . . 8 18863 1 141 1 7.980 . . . . . . . . . . . . 8 18863 1 141 2 61.442 . . . . . . . . . . . . 8 18863 1 141 3 116.722 . . . . . . . . . . . . 8 18863 1 143 1 7.879 . . . . . . . . . . . . 8 18863 1 143 2 56.134 . . . . . . . . . . . . 8 18863 1 143 3 116.652 . . . . . . . . . . . . 8 18863 1 146 1 7.061 . . . . . . . . . . . . 8 18863 1 146 2 67.686 . . . . . . . . . . . . 8 18863 1 146 3 116.066 . . . . . . . . . . . . 8 18863 1 147 1 8.389 . . . . . . . . . . . . 8 18863 1 147 2 60.622 . . . . . . . . . . . . 8 18863 1 147 3 116.085 . . . . . . . . . . . . 8 18863 1 148 1 7.061 . . . . . . . . . . . . 8 18863 1 148 2 59.092 . . . . . . . . . . . . 8 18863 1 148 3 116.078 . . . . . . . . . . . . 8 18863 1 149 1 8.391 . . . . . . . . . . . . 8 18863 1 149 2 56.890 . . . . . . . . . . . . 8 18863 1 149 3 116.086 . . . . . . . . . . . . 8 18863 1 150 1 8.159 . . . . . . . . . . . . 8 18863 1 150 2 63.820 . . . . . . . . . . . . 8 18863 1 150 3 115.917 . . . . . . . . . . . . 8 18863 1 151 1 8.157 . . . . . . . . . . . . 8 18863 1 151 2 56.749 . . . . . . . . . . . . 8 18863 1 151 3 115.934 . . . . . . . . . . . . 8 18863 1 152 1 8.117 . . . . . . . . . . . . 8 18863 1 152 2 58.908 . . . . . . . . . . . . 8 18863 1 152 3 115.291 . . . . . . . . . . . . 8 18863 1 153 1 8.116 . . . . . . . . . . . . 8 18863 1 153 2 46.185 . . . . . . . . . . . . 8 18863 1 153 3 115.298 . . . . . . . . . . . . 8 18863 1 154 1 8.154 . . . . . . . . . . . . 8 18863 1 154 2 64.474 . . . . . . . . . . . . 8 18863 1 154 3 114.824 . . . . . . . . . . . . 8 18863 1 155 1 8.152 . . . . . . . . . . . . 8 18863 1 155 2 59.877 . . . . . . . . . . . . 8 18863 1 155 3 114.774 . . . . . . . . . . . . 8 18863 1 156 1 8.131 . . . . . . . . . . . . 8 18863 1 156 2 58.799 . . . . . . . . . . . . 8 18863 1 156 3 114.650 . . . . . . . . . . . . 8 18863 1 157 1 7.574 . . . . . . . . . . . . 8 18863 1 157 2 59.372 . . . . . . . . . . . . 8 18863 1 157 3 113.991 . . . . . . . . . . . . 8 18863 1 160 1 7.573 . . . . . . . . . . . . 8 18863 1 160 2 53.242 . . . . . . . . . . . . 8 18863 1 160 3 113.987 . . . . . . . . . . . . 8 18863 1 164 1 8.600 . . . . . . . . . . . . 8 18863 1 164 2 60.614 . . . . . . . . . . . . 8 18863 1 164 3 110.402 . . . . . . . . . . . . 8 18863 1 165 1 8.603 . . . . . . . . . . . . 8 18863 1 165 2 48.850 . . . . . . . . . . . . 8 18863 1 165 3 110.407 . . . . . . . . . . . . 8 18863 1 167 1 8.628 . . . . . . . . . . . . 8 18863 1 167 2 57.086 . . . . . . . . . . . . 8 18863 1 167 3 107.491 . . . . . . . . . . . . 8 18863 1 168 1 8.635 . . . . . . . . . . . . 8 18863 1 168 2 48.573 . . . . . . . . . . . . 8 18863 1 168 3 107.514 . . . . . . . . . . . . 8 18863 1 170 1 8.056 . . . . . . . . . . . . 8 18863 1 170 2 56.520 . . . . . . . . . . . . 8 18863 1 170 3 107.289 . . . . . . . . . . . . 8 18863 1 172 1 8.055 . . . . . . . . . . . . 8 18863 1 172 2 46.200 . . . . . . . . . . . . 8 18863 1 172 3 107.308 . . . . . . . . . . . . 8 18863 1 173 1 7.924 . . . . . . . . . . . . 8 18863 1 173 2 61.336 . . . . . . . . . . . . 8 18863 1 173 3 106.518 . . . . . . . . . . . . 8 18863 1 174 1 7.926 . . . . . . . . . . . . 8 18863 1 174 2 47.335 . . . . . . . . . . . . 8 18863 1 174 3 106.527 . . . . . . . . . . . . 8 18863 1 175 1 8.221 . . . . . . . . . . . . 8 18863 1 175 2 48.038 . . . . . . . . . . . . 8 18863 1 175 3 105.488 . . . . . . . . . . . . 8 18863 1 176 1 8.025 . . . . . . . . . . . . 8 18863 1 176 2 47.884 . . . . . . . . . . . . 8 18863 1 176 3 106.108 . . . . . . . . . . . . 8 18863 1 179 1 8.308 . . . . . . . . . . . . 8 18863 1 179 2 178.133 . . . . . . . . . . . . 8 18863 1 179 3 122.868 . . . . . . . . . . . . 8 18863 1 180 1 8.019 . . . . . . . . . . . . 8 18863 1 180 2 181.166 . . . . . . . . . . . . 8 18863 1 180 3 118.732 . . . . . . . . . . . . 8 18863 1 181 1 8.180 . . . . . . . . . . . . 8 18863 1 181 2 180.035 . . . . . . . . . . . . 8 18863 1 181 3 119.509 . . . . . . . . . . . . 8 18863 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 . . 8.338 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 1 1 2 1 . . 56.912 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 176 . 18863 1 1 3 1 . . 125.006 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 1 2 1 1 . . 8.343 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 1 2 3 1 . . 124.990 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 1 3 1 1 . . 7.933 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 1 3 2 1 . . 56.007 . . 1 . . . . . . . . . . . . . . . . 166 . 18863 1 3 3 1 . . 123.895 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 1 4 1 1 . . 7.933 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 1 4 3 1 . . 123.891 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 1 5 1 1 . . 8.306 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 1 5 2 1 . . 57.105 . . 1 . 1 1 33 ALA CA . . . . . . . . . . 195 . 18863 1 5 3 1 . . 123.688 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 1 6 1 1 . . 8.538 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 1 6 3 1 . . 123.518 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 1 7 1 1 . . 8.540 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 1 7 2 1 . . 57.199 . . 1 . 1 1 29 ALA CA . . . . . . . . . . 203 . 18863 1 7 3 1 . . 123.502 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 1 9 1 1 . . 8.122 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 1 9 2 1 . . 68.285 . . 1 . . . . . . . . . . . . . . . . 196 . 18863 1 9 3 1 . . 123.057 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 1 10 1 1 . . 8.240 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 1 10 2 1 . . 66.513 . . 1 . 1 1 38 ILE CA . . . . . . . . . . 184 . 18863 1 10 3 1 . . 123.081 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 1 12 1 1 . . 8.235 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 1 12 3 1 . . 123.073 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 1 13 1 1 . . 8.315 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 1 13 3 1 . . 122.865 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 1 14 1 1 . . 8.315 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 1 14 2 1 . . 57.103 . . 1 . 1 1 20 ALA CA . . . . . . . . . . 225 . 18863 1 14 3 1 . . 122.865 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 1 15 1 1 . . 7.999 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 1 15 3 1 . . 122.691 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 1 16 1 1 . . 8.000 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 1 16 2 1 . . 62.788 . . 1 . . . . . . . . . . . . . . . . 174 . 18863 1 16 3 1 . . 122.684 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 1 17 1 1 . . 8.107 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 1 17 3 1 . . 122.614 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 1 18 1 1 . . 8.160 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 1 18 3 1 . . 122.649 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 1 19 1 1 . . 8.105 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 1 19 2 1 . . 56.979 . . 1 . 1 1 47 ALA CA . . . . . . . . . . 219 . 18863 1 19 3 1 . . 122.640 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 1 20 1 1 . . 8.160 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 1 20 2 1 . . 55.539 . . 1 . . . . . . . . . . . . . . . . 212 . 18863 1 20 3 1 . . 122.648 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 1 22 1 4 . . 8.095 . . 1 . 1 1 41 PHE H . . . . . . . . . . 193 . 18863 1 22 2 3 . . 63.634 . . 1 . 1 1 41 PHE CA . . . . . . . . . . 188 . 18863 1 23 1 1 . . 8.021 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 1 23 3 1 . . 122.344 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 1 24 1 1 . . 8.020 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 1 24 2 1 . . 56.826 . . 1 . 1 1 9 ALA CA . . . . . . . . . . 238 . 18863 1 24 3 1 . . 122.383 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 1 25 1 1 . . 7.821 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 1 25 2 1 . . 54.340 . . 1 . . . . . . . . . . . . . . . . 191 . 18863 1 25 3 1 . . 122.392 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 1 27 1 1 . . 7.819 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 1 27 3 1 . . 122.317 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 1 29 1 1 . . 7.908 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 1 29 3 1 . . 121.730 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 1 30 1 1 . . 7.908 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 1 30 2 1 . . 55.388 . . 1 . 1 1 82 ALA CA . . . . . . . . . . 210 . 18863 1 30 3 1 . . 121.730 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 1 31 1 1 . . 7.858 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 1 31 3 1 . . 121.551 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 1 32 1 1 . . 8.161 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 1 32 2 1 . . 60.497 . . 1 . 1 1 46 CYS CA . . . . . . . . . . 214 . 18863 1 32 3 1 . . 121.535 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 1 33 1 1 . . 8.160 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 1 33 3 1 . . 121.564 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 1 34 1 1 . . 7.857 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 1 34 2 1 . . 56.143 . . 1 . . . . . . . . . . . . . . . . 169 . 18863 1 34 3 1 . . 121.554 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 1 35 1 1 . . 8.273 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 1 35 3 1 . . 121.287 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 1 36 1 1 . . 8.541 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 1 36 3 1 . . 121.433 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 1 38 1 1 . . 8.268 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 1 38 2 1 . . 56.624 . . 1 . 1 1 3 LEU CA . . . . . . . . . . 235 . 18863 1 38 3 1 . . 121.292 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 1 39 1 2 . . 8.130 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 1 39 2 1 . . 68.700 . . 1 . 1 1 25 VAL CA . . . . . . . . . . 231 . 18863 1 39 3 2 . . 121.069 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 1 40 1 1 . . 8.155 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 1 40 2 1 . . 61.131 . . 1 . 1 1 44 PHE CA . . . . . . . . . . 216 . 18863 1 40 3 1 . . 121.141 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 1 41 1 1 . . 8.307 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 1 41 3 1 . . 120.931 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 1 42 1 1 . . 8.156 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 1 42 3 1 . . 120.990 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 1 44 1 1 . . 7.955 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 1 44 2 1 . . 59.874 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 232 . 18863 1 44 3 1 . . 121.000 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 1 45 1 1 . . 8.304 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 1 45 2 1 . . 59.809 . . 1 . 1 1 27 LEU CA . . . . . . . . . . 205 . 18863 1 45 3 1 . . 120.941 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 1 47 1 1 . . 7.956 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 1 47 3 1 . . 121.058 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 1 48 1 1 . . 8.581 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 1 48 2 1 . . 56.784 . . 1 . 1 1 30 ALA CA . . . . . . . . . . 202 . 18863 1 48 3 1 . . 120.928 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 1 49 1 1 . . 8.796 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 1 49 2 1 . . 63.418 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 227 . 18863 1 49 3 1 . . 120.758 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 1 50 1 2 . . 8.054 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 1 50 2 1 . . 63.262 . . 1 . 1 1 17 ASP CA . . . . . . . . . . 230 . 18863 1 50 3 2 . . 120.689 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 1 53 1 1 . . 8.284 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 1 53 3 1 . . 120.478 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 1 54 1 2 . . 8.053 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 1 54 3 2 . . 120.584 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 1 55 1 1 . . 8.342 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 1 55 3 1 . . 120.460 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 1 56 1 1 . . 8.204 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 1 56 2 1 . . 63.207 . . 1 . . . . . . . . . . . . . . . . 198 . 18863 1 56 3 1 . . 120.616 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 1 57 1 1 . . 8.342 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 1 57 2 1 . . 60.077 . . 1 . 1 1 42 LEU CA . . . . . . . . . . 218 . 18863 1 57 3 1 . . 120.474 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 1 58 1 1 . . 8.287 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 1 58 3 1 . . 120.528 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 1 59 1 1 . . 8.080 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 1 59 2 1 . . 59.903 . . 1 . 1 1 39 LEU CA . . . . . . . . . . 185 . 18863 1 59 3 1 . . 120.536 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 1 60 1 1 . . 8.390 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 1 60 3 1 . . 120.580 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 1 61 1 1 . . 8.222 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 1 61 3 1 . . 120.487 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 1 62 1 1 . . 8.247 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 1 62 2 1 . . 56.944 . . 1 . 1 1 10 ALA CA . . . . . . . . . . 239 . 18863 1 62 3 1 . . 120.502 . . 1 . 1 1 10 ALA N . . . . . . . . . . 58 . 18863 1 64 1 1 . . 8.284 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 1 64 2 1 . . 62.588 . . 1 . 1 1 43 VAL CA . . . . . . . . . . 217 . 18863 1 64 3 1 . . 120.331 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 1 66 1 1 . . 8.505 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 1 66 3 1 . . 120.384 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 1 67 1 1 . . 8.504 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 1 67 2 1 . . 58.445 . . 1 . 1 1 28 ASN CA . . . . . . . . . . 204 . 18863 1 67 3 1 . . 120.395 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 1 68 1 1 . . 8.280 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 1 68 3 1 . . 120.398 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 1 69 1 1 . . 8.193 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 1 69 2 1 . . 57.823 . . 1 . 1 1 12 ASP CA . . . . . . . . . . 241 . 18863 1 69 3 1 . . 120.308 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 1 70 1 1 . . 8.023 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 1 70 2 1 . . 56.356 . . 1 . . . . . . . . . . . . . . . . 167 . 18863 1 70 3 1 . . 120.259 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 1 71 1 1 . . 7.779 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 1 71 2 1 . . 54.544 . . 1 . 1 1 84 ALA CA . . . . . . . . . . 208 . 18863 1 71 3 1 . . 120.291 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 1 72 1 1 . . 8.179 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 1 72 3 1 . . 120.106 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 1 73 1 1 . . 8.179 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 1 73 3 1 . . 120.107 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 1 74 1 1 . . 7.874 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 1 74 2 1 . . 55.159 . . 1 . 1 1 83 ALA CA . . . . . . . . . . 209 . 18863 1 74 3 1 . . 120.208 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 1 75 1 1 . . 7.654 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 1 75 3 1 . . 119.844 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 1 76 1 1 . . 8.531 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 1 76 3 1 . . 119.977 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 1 77 1 1 . . 7.635 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 1 77 3 1 . . 119.834 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 1 78 1 1 . . 7.632 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 1 78 2 1 . . 54.322 . . 1 . 1 1 75 ALA CA . . . . . . . . . . 221 . 18863 1 78 3 1 . . 119.823 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 1 80 1 1 . . 8.230 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 1 80 2 1 . . 66.451 . . 1 . . . . . . . . . . . . . . . . 199 . 18863 1 80 3 1 . . 119.676 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 1 81 1 1 . . 8.232 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 1 81 3 1 . . 119.668 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 1 82 1 1 . . 8.084 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 1 82 2 1 . . 62.294 . . 1 . . . . . . . . . . . . . . . . 197 . 18863 1 82 3 1 . . 119.734 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 1 83 1 1 . . 8.470 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 1 83 3 1 . . 119.637 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 1 85 1 1 . . 7.818 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 1 85 2 1 . . 59.441 . . 1 . . . . . . . . . . . . . . . . 243 . 18863 1 85 3 1 . . 119.711 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 1 87 1 1 . . 8.470 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 1 87 2 1 . . 57.837 . . 1 . 1 1 45 PHE CA . . . . . . . . . . 215 . 18863 1 87 3 1 . . 119.629 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 1 89 1 1 . . 8.081 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 1 89 3 1 . . 119.577 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 1 90 1 1 . . 7.707 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 1 90 3 1 . . 119.774 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 1 91 1 1 . . 7.706 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 1 91 2 1 . . 53.258 . . 1 . 1 1 85 ALA CA . . . . . . . . . . 207 . 18863 1 91 3 1 . . 119.771 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 1 92 1 1 . . 8.078 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 1 92 3 1 . . 119.448 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 1 93 1 1 . . 8.077 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 1 93 2 1 . . 61.265 . . 1 . . . . . . . . . . . . . . . . 200 . 18863 1 93 3 1 . . 119.456 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 1 94 1 1 . . 8.179 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 1 94 2 1 . . 60.887 . . 1 . 1 1 22 GLU CA . . . . . . . . . . 223 . 18863 1 94 3 1 . . 119.491 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 1 95 1 1 . . 8.182 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 1 95 3 1 . . 119.516 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 1 96 1 1 . . 7.512 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 1 96 2 1 . . 59.570 . . 1 . 1 1 72 LEU CA . . . . . . . . . . 588 . 18863 1 96 3 1 . . 119.400 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 1 97 1 1 . . 7.960 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 1 97 2 1 . . 57.009 . . 1 . 1 1 48 ALA CA . . . . . . . . . . 220 . 18863 1 97 3 1 . . 119.507 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 1 98 1 1 . . 8.067 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 1 98 3 1 . . 119.430 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 1 99 1 1 . . 7.613 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 1 99 2 1 . . 61.877 . . 1 . 1 1 8 PHE CA . . . . . . . . . . 237 . 18863 1 99 3 1 . . 119.264 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 1 100 1 1 . . 7.611 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 1 100 3 1 . . 119.237 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 1 102 1 2 . . 7.640 . . 1 . 1 1 76 LEU H . . . . . . . . . . 97 . 18863 1 102 2 2 . . 57.295 . . 1 . 1 1 76 LEU CA . . . . . . . . . . 222 . 18863 1 102 3 2 . . 119.064 . . 1 . 1 1 76 LEU N . . . . . . . . . . 98 . 18863 1 103 1 1 . . 7.640 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 1 103 3 1 . . 119.094 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 1 106 1 1 . . 8.389 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 1 106 3 1 . . 118.541 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 1 107 1 1 . . 8.021 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 1 107 2 1 . . 59.693 . . 1 . 1 1 21 LEU CA . . . . . . . . . . 224 . 18863 1 107 3 1 . . 118.716 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 1 108 1 1 . . 8.389 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 1 108 2 1 . . 57.735 . . 1 . 1 1 23 ASN CA . . . . . . . . . . 233 . 18863 1 108 3 1 . . 118.574 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 1 109 1 1 . . 8.018 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 1 109 3 1 . . 118.724 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 1 110 1 1 . . 7.820 . . 1 . 1 1 73 LEU H . . . . . . . . . . 103 . 18863 1 110 2 1 . . 59.172 . . 1 . 1 1 73 LEU CA . . . . . . . . . . 586 . 18863 1 110 3 1 . . 118.320 . . 1 . 1 1 73 LEU N . . . . . . . . . . 104 . 18863 1 111 1 1 . . 7.487 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 1 111 2 1 . . 58.485 . . 1 . 1 1 54 ARG CA . . . . . . . . . . 181 . 18863 1 113 1 1 . . 7.486 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 1 113 3 1 . . 118.215 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 1 114 1 1 . . 8.395 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 1 114 2 1 . . 65.866 . . 1 . 1 1 19 LYS CA . . . . . . . . . . 226 . 18863 1 114 3 1 . . 117.990 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 1 115 1 1 . . 8.394 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 1 115 3 1 . . 118.019 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 1 117 1 1 . . 7.828 . . 1 . 1 1 71 LEU H . . . . . . . . . . 109 . 18863 1 117 2 1 . . 59.477 . . 1 . 1 1 71 LEU CA . . . . . . . . . . 589 . 18863 1 117 3 1 . . 118.045 . . 1 . 1 1 71 LEU N . . . . . . . . . . 110 . 18863 1 119 1 1 . . 7.583 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 1 119 3 1 . . 117.949 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 1 121 1 1 . . 7.583 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 1 121 2 1 . . 56.943 . . 1 . . . . . . . . . . . . . . . . 192 . 18863 1 121 3 1 . . 117.961 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 1 122 1 1 . . 7.695 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 1 122 3 1 . . 117.824 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 1 123 1 1 . . 7.968 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 1 123 2 1 . . 61.486 . . 1 . 1 1 81 TYR CA . . . . . . . . . . 211 . 18863 1 123 3 1 . . 117.820 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 1 124 1 1 . . 7.777 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 1 124 2 1 . . 60.079 . . 1 . 1 1 11 MET CA . . . . . . . . . . 240 . 18863 1 124 3 1 . . 117.750 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 1 125 1 1 . . 7.795 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 1 125 3 1 . . 117.865 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 1 126 1 1 . . 7.696 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 1 126 2 1 . . 59.390 . . 1 . 1 1 79 ARG CA . . . . . . . . . . 213 . 18863 1 126 3 1 . . 117.819 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 1 127 1 1 . . 7.776 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 1 127 3 1 . . 117.782 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 1 128 1 1 . . 7.967 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 1 128 3 1 . . 117.836 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 1 129 1 1 . . 7.893 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 1 129 2 1 . . 62.105 . . 1 . . . . . . . . . . . . . . . . 168 . 18863 1 129 3 1 . . 117.501 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 1 130 1 1 . . 7.894 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 1 130 3 1 . . 117.504 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 1 131 1 1 . . 7.673 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 1 131 2 1 . . 64.925 . . 1 . . . . . . . . . . . . . . . . 173 . 18863 1 131 3 1 . . 117.291 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 1 133 1 1 . . 7.675 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 1 133 3 1 . . 117.273 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 1 134 1 1 . . 7.744 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 1 134 3 1 . . 117.138 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 1 135 1 1 . . 7.744 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 1 135 2 1 . . 57.966 . . 1 . 1 1 74 LEU CA . . . . . . . . . . 234 . 18863 1 135 3 1 . . 117.151 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 1 136 1 1 . . 7.926 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 1 136 3 1 . . 116.906 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 1 137 1 1 . . 7.928 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 1 137 2 1 . . 60.787 . . 1 . 1 1 7 GLU CA . . . . . . . . . . 236 . 18863 1 137 3 1 . . 116.930 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 1 140 1 1 . . 7.880 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 1 140 2 1 . . 61.752 . . 1 . . . . . . . . . . . . . . . . 170 . 18863 1 140 3 1 . . 116.658 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 1 141 1 1 . . 7.980 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 1 141 2 1 . . 61.442 . . 1 . . . . . . . . . . . . . . . . 171 . 18863 1 141 3 1 . . 116.722 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 1 143 1 1 . . 7.879 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 1 143 3 1 . . 116.652 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 1 146 1 1 . . 7.061 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 1 146 3 1 . . 116.066 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 1 147 1 1 . . 8.389 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 1 147 2 1 . . 60.622 . . 1 . 1 1 36 HIS CA . . . . . . . . . . 177 . 18863 1 147 3 1 . . 116.085 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 1 148 1 1 . . 7.061 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 1 148 2 1 . . 59.092 . . 1 . . . . . . . . . . . . . . . . 242 . 18863 1 148 3 1 . . 116.078 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 1 149 1 1 . . 8.391 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 1 149 3 1 . . 116.086 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 1 150 1 1 . . 8.159 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 1 150 2 1 . . 63.820 . . 1 . 1 1 31 SER CA . . . . . . . . . . 201 . 18863 1 150 3 1 . . 115.917 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 1 151 1 1 . . 8.157 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 1 151 3 1 . . 115.934 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 1 152 1 1 . . 8.117 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 1 152 2 1 . . 58.908 . . 1 . 1 1 5 SER CA . . . . . . . . . . 180 . 18863 1 152 3 1 . . 115.291 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 1 153 1 1 . . 8.116 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 1 153 3 1 . . 115.298 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 1 154 1 1 . . 8.154 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 1 154 2 1 . . 64.474 . . 1 . 1 1 40 SER CA . . . . . . . . . . 186 . 18863 1 154 3 1 . . 114.824 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 1 155 1 1 . . 8.152 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 1 155 3 1 . . 114.774 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 1 156 1 1 . . 8.131 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 1 156 3 1 . . 114.650 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 1 157 1 1 . . 7.574 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 1 157 2 1 . . 59.372 . . 1 . . . . . . . . . . . . . . . . 206 . 18863 1 157 3 1 . . 113.991 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 1 160 1 1 . . 7.573 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 1 160 3 1 . . 113.987 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 1 164 1 1 . . 8.600 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 1 164 3 1 . . 110.402 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 1 165 1 1 . . 8.603 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 1 165 2 1 . . 48.850 . . 1 . 1 1 37 GLY CA . . . . . . . . . . 178 . 18863 1 165 3 1 . . 110.407 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 1 167 1 1 . . 8.628 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 1 167 3 1 . . 107.491 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 1 168 1 1 . . 8.635 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 1 168 2 1 . . 48.573 . . 1 . . . . . . . . . . . . . . . . 175 . 18863 1 168 3 1 . . 107.514 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 1 170 1 1 . . 8.056 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 1 170 3 1 . . 107.289 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 1 172 1 1 . . 8.055 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 1 172 2 1 . . 46.200 . . 1 . 1 1 4 GLY CA . . . . . . . . . . 179 . 18863 1 172 3 1 . . 107.308 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 1 173 1 1 . . 7.924 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 1 173 3 1 . . 106.518 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 1 174 1 1 . . 7.926 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 1 174 2 1 . . 47.335 . . 1 . 1 1 65 GLY CA . . . . . . . . . . 172 . 18863 1 174 3 1 . . 106.527 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 1 175 1 1 . . 8.221 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 1 175 2 1 . . 48.038 . . 1 . . . . . . . . . . . . . . . . 165 . 18863 1 175 3 1 . . 105.488 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 1 176 1 1 . . 8.025 . . 1 . 1 1 53 GLY H . . . . . . . . . . 182 . 18863 1 176 2 1 . . 47.884 . . 1 . 1 1 53 GLY CA . . . . . . . . . . 183 . 18863 1 176 3 1 . . 106.108 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 1 179 2 1 . . 178.133 . . 1 . 1 1 19 LYS C . . . . . . . . . . 517 . 18863 1 180 2 1 . . 181.166 . . 1 . 1 1 20 ALA C . . . . . . . . . . 518 . 18863 1 181 2 1 . . 180.035 . . 1 . 1 1 21 LEU C . . . . . . . . . . 519 . 18863 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 18863 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 2 _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 . . 3002.93 . . . . . . . 18863 2 2 . . N 15 15N . . 2500.00 . . . . . . . 18863 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 2 2 1.0 . . 18863 2 3 1.0 . . 18863 2 4 1.0 . . 18863 2 5 1.0 . . 18863 2 6 1.0 . . 18863 2 7 1.0 . . 18863 2 8 1.0 . . 18863 2 9 1.0 . . 18863 2 10 1.0 . . 18863 2 11 1.0 . . 18863 2 12 1.0 . . 18863 2 13 1.0 . . 18863 2 14 1.0 . . 18863 2 15 1.0 . . 18863 2 16 1.0 . . 18863 2 17 1.0 . . 18863 2 18 1.0 . . 18863 2 19 1.0 . . 18863 2 20 1.0 . . 18863 2 21 1.0 . . 18863 2 22 1.0 . . 18863 2 23 1.0 . . 18863 2 24 1.0 . . 18863 2 25 1.0 . . 18863 2 26 1.0 . . 18863 2 27 1.0 . . 18863 2 28 1.0 . . 18863 2 29 1.0 . . 18863 2 30 1.0 . . 18863 2 31 1.0 . . 18863 2 32 1.0 . . 18863 2 33 1.0 . . 18863 2 34 1.0 . . 18863 2 35 1.0 . . 18863 2 36 1.0 . . 18863 2 37 1.0 . . 18863 2 38 1.0 . . 18863 2 39 1.0 . . 18863 2 40 1.0 . . 18863 2 41 1.0 . . 18863 2 42 1.0 . . 18863 2 43 1.0 . . 18863 2 44 1.0 . . 18863 2 45 1.0 . . 18863 2 46 1.0 . . 18863 2 47 1.0 . . 18863 2 48 1.0 . . 18863 2 49 1.0 . . 18863 2 50 1.0 . . 18863 2 51 1.0 . . 18863 2 52 1.0 . . 18863 2 53 1.0 . . 18863 2 54 1.0 . . 18863 2 55 1.0 . . 18863 2 56 1.0 . . 18863 2 57 1.0 . . 18863 2 58 1.0 . . 18863 2 59 1.0 . . 18863 2 60 1.0 . . 18863 2 61 1.0 . . 18863 2 62 1.0 . . 18863 2 63 1.0 . . 18863 2 64 1.0 . . 18863 2 65 1.0 . . 18863 2 66 1.0 . . 18863 2 67 1.0 . . 18863 2 68 1.0 . . 18863 2 69 1.0 . . 18863 2 70 1.0 . . 18863 2 71 1.0 . . 18863 2 72 1.0 . . 18863 2 73 1.0 . . 18863 2 74 1.0 . . 18863 2 75 1.0 . . 18863 2 76 1.0 . . 18863 2 77 1.0 . . 18863 2 78 1.0 . . 18863 2 79 1.0 . . 18863 2 80 1.0 . . 18863 2 81 1.0 . . 18863 2 82 1.0 . . 18863 2 83 1.0 . . 18863 2 84 1.0 . . 18863 2 85 1.0 . . 18863 2 86 1.0 . . 18863 2 87 1.0 . . 18863 2 88 1.0 . . 18863 2 89 1.0 . . 18863 2 90 1.0 . . 18863 2 91 1.0 . . 18863 2 92 1.0 . . 18863 2 93 1.0 . . 18863 2 94 1.0 . . 18863 2 95 1.0 . . 18863 2 96 1.0 . . 18863 2 97 1.0 . . 18863 2 98 1.0 . . 18863 2 99 1.0 . . 18863 2 100 1.0 . . 18863 2 101 1.0 . . 18863 2 102 1.0 . . 18863 2 103 1.0 . . 18863 2 104 1.0 . . 18863 2 105 1.0 . . 18863 2 106 1.0 . . 18863 2 107 1.0 . . 18863 2 108 1.0 . . 18863 2 109 1.0 . . 18863 2 110 1.0 . . 18863 2 111 1.0 . . 18863 2 112 1.0 . . 18863 2 113 1.0 . . 18863 2 114 1.0 . . 18863 2 115 1.0 . . 18863 2 116 1.0 . . 18863 2 117 1.0 . . 18863 2 118 1.0 . . 18863 2 119 1.0 . . 18863 2 120 1.0 . . 18863 2 121 1.0 . . 18863 2 122 1.0 . . 18863 2 123 1.0 . . 18863 2 124 1.0 . . 18863 2 125 1.0 . . 18863 2 126 1.0 . . 18863 2 127 1.0 . . 18863 2 128 1.0 . . 18863 2 129 1.0 . . 18863 2 130 1.0 . . 18863 2 131 1.0 . . 18863 2 132 1.0 . . 18863 2 133 1.0 . . 18863 2 134 1.0 . . 18863 2 135 1.0 . . 18863 2 136 1.0 . . 18863 2 137 1.0 . . 18863 2 138 1.0 . . 18863 2 139 1.0 . . 18863 2 140 1.0 . . 18863 2 141 1.0 . . 18863 2 142 1.0 . . 18863 2 143 1.0 . . 18863 2 144 1.0 . . 18863 2 145 1.0 . . 18863 2 146 1.0 . . 18863 2 147 1.0 . . 18863 2 148 1.0 . . 18863 2 149 1.0 . . 18863 2 150 1.0 . . 18863 2 151 1.0 . . 18863 2 152 1.0 . . 18863 2 153 1.0 . . 18863 2 154 1.0 . . 18863 2 155 1.0 . . 18863 2 156 1.0 . . 18863 2 157 1.0 . . 18863 2 158 1.0 . . 18863 2 159 1.0 . . 18863 2 160 1.0 . . 18863 2 161 1.0 . . 18863 2 162 1.0 . . 18863 2 163 1.0 . . 18863 2 164 1.0 . . 18863 2 165 1.0 . . 18863 2 166 1.0 . . 18863 2 167 1.0 . . 18863 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 25042584.00 . height 18863 2 1 186748177.00 . volume 18863 2 2 18151780.00 . height 18863 2 2 132117700.00 . volume 18863 2 3 10770750.00 . height 18863 2 3 79512089.00 . volume 18863 2 4 19390378.00 . height 18863 2 4 140510326.00 . volume 18863 2 5 12804522.00 . height 18863 2 5 94661199.00 . volume 18863 2 6 12698293.00 . height 18863 2 6 94920063.00 . volume 18863 2 7 11507389.00 . height 18863 2 7 88878641.00 . volume 18863 2 8 12849710.00 . height 18863 2 8 90268702.00 . volume 18863 2 9 9354177.00 . height 18863 2 9 70783150.00 . volume 18863 2 10 26239802.00 . height 18863 2 10 194167555.00 . volume 18863 2 11 24858378.00 . height 18863 2 11 176992055.00 . volume 18863 2 12 16895698.00 . height 18863 2 12 133009720.00 . volume 18863 2 13 13533434.00 . height 18863 2 13 108993654.00 . volume 18863 2 14 14172210.00 . height 18863 2 14 105448883.00 . volume 18863 2 15 30374780.00 . height 18863 2 15 210036693.00 . volume 18863 2 16 12215550.00 . height 18863 2 16 95029158.00 . volume 18863 2 17 21242748.00 . height 18863 2 17 152979107.00 . volume 18863 2 18 11340569.00 . height 18863 2 18 83359817.00 . volume 18863 2 19 4985751.50 . height 18863 2 19 33751245.25 . volume 18863 2 20 14237231.00 . height 18863 2 20 109183624.00 . volume 18863 2 21 16198912.00 . height 18863 2 21 128244368.00 . volume 18863 2 22 14386472.00 . height 18863 2 22 103695593.00 . volume 18863 2 23 13385722.00 . height 18863 2 23 100445812.00 . volume 18863 2 24 13186623.00 . height 18863 2 24 92321595.50 . volume 18863 2 25 8710566.00 . height 18863 2 25 66225882.00 . volume 18863 2 26 23162990.00 . height 18863 2 26 178917597.00 . volume 18863 2 27 11110978.00 . height 18863 2 27 87393997.00 . volume 18863 2 28 10845358.00 . height 18863 2 28 88730729.00 . volume 18863 2 29 13155829.00 . height 18863 2 29 103859464.00 . volume 18863 2 30 11012501.00 . height 18863 2 30 88262087.00 . volume 18863 2 31 13193052.00 . height 18863 2 31 99114463.00 . volume 18863 2 32 21073582.00 . height 18863 2 32 164525354.00 . volume 18863 2 33 20279800.00 . height 18863 2 33 153707714.00 . volume 18863 2 34 29889176.00 . height 18863 2 34 211911292.00 . volume 18863 2 35 33337310.00 . height 18863 2 35 227502172.00 . volume 18863 2 36 36144864.00 . height 18863 2 36 266127174.00 . volume 18863 2 37 10759510.00 . height 18863 2 37 84093785.00 . volume 18863 2 38 28585390.00 . height 18863 2 38 208004978.00 . volume 18863 2 39 22843166.00 . height 18863 2 39 166320811.00 . volume 18863 2 40 25751824.00 . height 18863 2 40 182169461.00 . volume 18863 2 41 11103719.00 . height 18863 2 41 83452052.50 . volume 18863 2 42 9342777.00 . height 18863 2 42 72433312.50 . volume 18863 2 43 10601427.00 . height 18863 2 43 81333723.50 . volume 18863 2 44 14677483.00 . height 18863 2 44 112180950.00 . volume 18863 2 45 13267665.00 . height 18863 2 45 103360722.00 . volume 18863 2 46 12515585.00 . height 18863 2 46 94229339.00 . volume 18863 2 47 24355108.00 . height 18863 2 47 172749002.00 . volume 18863 2 48 12254503.00 . height 18863 2 48 102272281.00 . volume 18863 2 49 24364758.00 . height 18863 2 49 175674083.00 . volume 18863 2 50 13422610.00 . height 18863 2 50 101415851.00 . volume 18863 2 51 13336782.00 . height 18863 2 51 98778507.50 . volume 18863 2 52 22607190.00 . height 18863 2 52 161021487.00 . volume 18863 2 53 11510321.00 . height 18863 2 53 85103085.50 . volume 18863 2 54 9188537.00 . height 18863 2 54 71144394.00 . volume 18863 2 55 24550150.00 . height 18863 2 55 177455087.00 . volume 18863 2 56 11007687.00 . height 18863 2 56 85242557.00 . volume 18863 2 57 23635660.00 . height 18863 2 57 172120881.00 . volume 18863 2 58 15916148.00 . height 18863 2 58 119128621.00 . volume 18863 2 59 14922088.00 . height 18863 2 59 118496271.00 . volume 18863 2 60 21192994.00 . height 18863 2 60 156492188.00 . volume 18863 2 61 21252666.00 . height 18863 2 61 158398222.00 . volume 18863 2 62 5486069.50 . height 18863 2 62 41997822.50 . volume 18863 2 63 21824036.00 . height 18863 2 63 161241944.00 . volume 18863 2 64 15329373.00 . height 18863 2 64 120626703.00 . volume 18863 2 65 23021168.00 . height 18863 2 65 169667766.00 . volume 18863 2 66 22073748.00 . height 18863 2 66 163290355.00 . volume 18863 2 67 9517213.00 . height 18863 2 67 68808449.00 . volume 18863 2 68 26604648.00 . height 18863 2 68 192675988.00 . volume 18863 2 69 13231343.00 . height 18863 2 69 95588479.00 . volume 18863 2 70 25609602.00 . height 18863 2 70 180439147.00 . volume 18863 2 71 11406736.00 . height 18863 2 71 88237486.00 . volume 18863 2 72 28142582.00 . height 18863 2 72 207857264.00 . volume 18863 2 73 8656656.00 . height 18863 2 73 68188364.00 . volume 18863 2 74 13728202.00 . height 18863 2 74 96043564.00 . volume 18863 2 75 12968151.00 . height 18863 2 75 94296832.50 . volume 18863 2 76 12248012.00 . height 18863 2 76 89376871.00 . volume 18863 2 77 9465375.00 . height 18863 2 77 72965924.50 . volume 18863 2 78 9493538.00 . height 18863 2 78 73419012.50 . volume 18863 2 79 28636204.00 . height 18863 2 79 209265202.00 . volume 18863 2 80 17660380.00 . height 18863 2 80 132665053.00 . volume 18863 2 81 8156826.00 . height 18863 2 81 64590000.00 . volume 18863 2 82 12527562.00 . height 18863 2 82 97411289.50 . volume 18863 2 83 16230398.00 . height 18863 2 83 136909071.00 . volume 18863 2 84 25042584.00 . height 18863 2 84 186748177.00 . volume 18863 2 85 18151780.00 . height 18863 2 85 132117700.00 . volume 18863 2 86 10770750.00 . height 18863 2 86 79512089.00 . volume 18863 2 87 19390378.00 . height 18863 2 87 140510326.00 . volume 18863 2 88 12804522.00 . height 18863 2 88 94661199.00 . volume 18863 2 89 12698293.00 . height 18863 2 89 94920063.00 . volume 18863 2 90 11507389.00 . height 18863 2 90 88878641.00 . volume 18863 2 91 12849710.00 . height 18863 2 91 90268702.00 . volume 18863 2 92 9354177.00 . height 18863 2 92 70783150.00 . volume 18863 2 93 26239802.00 . height 18863 2 93 194167555.00 . volume 18863 2 94 24858378.00 . height 18863 2 94 176992055.00 . volume 18863 2 95 16895698.00 . height 18863 2 95 133009720.00 . volume 18863 2 96 13533434.00 . height 18863 2 96 108993654.00 . volume 18863 2 97 14172210.00 . height 18863 2 97 105448883.00 . volume 18863 2 98 30374780.00 . height 18863 2 98 210036693.00 . volume 18863 2 99 12215550.00 . height 18863 2 99 95029158.00 . volume 18863 2 100 21242748.00 . height 18863 2 100 152979107.00 . volume 18863 2 101 11340569.00 . height 18863 2 101 83359817.00 . volume 18863 2 102 4985751.50 . height 18863 2 102 33751245.25 . volume 18863 2 103 14237231.00 . height 18863 2 103 109183624.00 . volume 18863 2 104 16198912.00 . height 18863 2 104 128244368.00 . volume 18863 2 105 14386472.00 . height 18863 2 105 103695593.00 . volume 18863 2 106 13385722.00 . height 18863 2 106 100445812.00 . volume 18863 2 107 13186623.00 . height 18863 2 107 92321595.50 . volume 18863 2 108 8710566.00 . height 18863 2 108 66225882.00 . volume 18863 2 109 23162990.00 . height 18863 2 109 178917597.00 . volume 18863 2 110 11110978.00 . height 18863 2 110 87393997.00 . volume 18863 2 111 10845358.00 . height 18863 2 111 88730729.00 . volume 18863 2 112 13155829.00 . height 18863 2 112 103859464.00 . volume 18863 2 113 11012501.00 . height 18863 2 113 88262087.00 . volume 18863 2 114 13193052.00 . height 18863 2 114 99114463.00 . volume 18863 2 115 21073582.00 . height 18863 2 115 164525354.00 . volume 18863 2 116 20279800.00 . height 18863 2 116 153707714.00 . volume 18863 2 117 29889176.00 . height 18863 2 117 211911292.00 . volume 18863 2 118 33337310.00 . height 18863 2 118 227502172.00 . volume 18863 2 119 36144864.00 . height 18863 2 119 266127174.00 . volume 18863 2 120 10759510.00 . height 18863 2 120 84093785.00 . volume 18863 2 121 28585390.00 . height 18863 2 121 208004978.00 . volume 18863 2 122 22843166.00 . height 18863 2 122 166320811.00 . volume 18863 2 123 25751824.00 . height 18863 2 123 182169461.00 . volume 18863 2 124 11103719.00 . height 18863 2 124 83452052.50 . volume 18863 2 125 9342777.00 . height 18863 2 125 72433312.50 . volume 18863 2 126 10601427.00 . height 18863 2 126 81333723.50 . volume 18863 2 127 14677483.00 . height 18863 2 127 112180950.00 . volume 18863 2 128 13267665.00 . height 18863 2 128 103360722.00 . volume 18863 2 129 12515585.00 . height 18863 2 129 94229339.00 . volume 18863 2 130 24355108.00 . height 18863 2 130 172749002.00 . volume 18863 2 131 12254503.00 . height 18863 2 131 102272281.00 . volume 18863 2 132 24364758.00 . height 18863 2 132 175674083.00 . volume 18863 2 133 13422610.00 . height 18863 2 133 101415851.00 . volume 18863 2 134 13336782.00 . height 18863 2 134 98778507.50 . volume 18863 2 135 22607190.00 . height 18863 2 135 161021487.00 . volume 18863 2 136 11510321.00 . height 18863 2 136 85103085.50 . volume 18863 2 137 9188537.00 . height 18863 2 137 71144394.00 . volume 18863 2 138 24550150.00 . height 18863 2 138 177455087.00 . volume 18863 2 139 11007687.00 . height 18863 2 139 85242557.00 . volume 18863 2 140 23635660.00 . height 18863 2 140 172120881.00 . volume 18863 2 141 15916148.00 . height 18863 2 141 119128621.00 . volume 18863 2 142 14922088.00 . height 18863 2 142 118496271.00 . volume 18863 2 143 21192994.00 . height 18863 2 143 156492188.00 . volume 18863 2 144 21252666.00 . height 18863 2 144 158398222.00 . volume 18863 2 145 5486069.50 . height 18863 2 145 41997822.50 . volume 18863 2 146 21824036.00 . height 18863 2 146 161241944.00 . volume 18863 2 147 15329373.00 . height 18863 2 147 120626703.00 . volume 18863 2 148 23021168.00 . height 18863 2 148 169667766.00 . volume 18863 2 149 22073748.00 . height 18863 2 149 163290355.00 . volume 18863 2 150 9517213.00 . height 18863 2 150 68808449.00 . volume 18863 2 151 26604648.00 . height 18863 2 151 192675988.00 . volume 18863 2 152 13231343.00 . height 18863 2 152 95588479.00 . volume 18863 2 153 25609602.00 . height 18863 2 153 180439147.00 . volume 18863 2 154 11406736.00 . height 18863 2 154 88237486.00 . volume 18863 2 155 28142582.00 . height 18863 2 155 207857264.00 . volume 18863 2 156 8656656.00 . height 18863 2 156 68188364.00 . volume 18863 2 157 13728202.00 . height 18863 2 157 96043564.00 . volume 18863 2 158 12968151.00 . height 18863 2 158 94296832.50 . volume 18863 2 159 12248012.00 . height 18863 2 159 89376871.00 . volume 18863 2 160 9465375.00 . height 18863 2 160 72965924.50 . volume 18863 2 161 9493538.00 . height 18863 2 161 73419012.50 . volume 18863 2 162 28636204.00 . height 18863 2 162 209265202.00 . volume 18863 2 163 17660380.00 . height 18863 2 163 132665053.00 . volume 18863 2 164 8156826.00 . height 18863 2 164 64590000.00 . volume 18863 2 165 12527562.00 . height 18863 2 165 97411289.50 . volume 18863 2 166 16230398.00 . height 18863 2 166 136909071.00 . volume 18863 2 167 13070489.00 . height 18863 2 167 106334992.00 . volume 18863 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 10.142 . . . . . . . . . . . . 8 18863 2 1 2 128.811 . . . . . . . . . . . . 8 18863 2 2 1 9.771 . . . . . . . . . . . . 8 18863 2 2 2 128.443 . . . . . . . . . . . . 8 18863 2 3 1 8.341 . . . . . . . . . . . . 8 18863 2 3 2 125.008 . . . . . . . . . . . . 8 18863 2 4 1 7.935 . . . . . . . . . . . . 8 18863 2 4 2 123.891 . . . . . . . . . . . . 8 18863 2 5 1 8.307 . . . . . . . . . . . . 8 18863 2 5 2 123.691 . . . . . . . . . . . . 8 18863 2 6 1 8.542 . . . . . . . . . . . . 8 18863 2 6 2 123.515 . . . . . . . . . . . . 8 18863 2 7 1 8.241 . . . . . . . . . . . . 8 18863 2 7 2 123.098 . . . . . . . . . . . . 8 18863 2 8 1 8.121 . . . . . . . . . . . . 8 18863 2 8 2 123.058 . . . . . . . . . . . . 8 18863 2 9 1 8.316 . . . . . . . . . . . . 8 18863 2 9 2 122.868 . . . . . . . . . . . . 8 18863 2 10 1 8.003 . . . . . . . . . . . . 8 18863 2 10 2 122.685 . . . . . . . . . . . . 8 18863 2 11 1 8.162 . . . . . . . . . . . . 8 18863 2 11 2 122.649 . . . . . . . . . . . . 8 18863 2 12 1 8.106 . . . . . . . . . . . . 8 18863 2 12 2 122.617 . . . . . . . . . . . . 8 18863 2 13 1 8.023 . . . . . . . . . . . . 8 18863 2 13 2 122.364 . . . . . . . . . . . . 8 18863 2 14 1 7.821 . . . . . . . . . . . . 8 18863 2 14 2 122.372 . . . . . . . . . . . . 8 18863 2 15 1 7.910 . . . . . . . . . . . . 8 18863 2 15 2 121.719 . . . . . . . . . . . . 8 18863 2 16 1 8.164 . . . . . . . . . . . . 8 18863 2 16 2 121.559 . . . . . . . . . . . . 8 18863 2 17 1 7.860 . . . . . . . . . . . . 8 18863 2 17 2 121.557 . . . . . . . . . . . . 8 18863 2 18 1 8.543 . . . . . . . . . . . . 8 18863 2 18 2 121.453 . . . . . . . . . . . . 8 18863 2 19 1 8.273 . . . . . . . . . . . . 8 18863 2 19 2 121.260 . . . . . . . . . . . . 8 18863 2 20 1 8.156 . . . . . . . . . . . . 8 18863 2 20 2 121.101 . . . . . . . . . . . . 8 18863 2 21 1 8.135 . . . . . . . . . . . . 8 18863 2 21 2 121.070 . . . . . . . . . . . . 8 18863 2 22 1 7.957 . . . . . . . . . . . . 8 18863 2 22 2 121.022 . . . . . . . . . . . . 8 18863 2 23 1 8.306 . . . . . . . . . . . . 8 18863 2 23 2 120.951 . . . . . . . . . . . . 8 18863 2 24 1 8.584 . . . . . . . . . . . . 8 18863 2 24 2 120.934 . . . . . . . . . . . . 8 18863 2 25 1 8.799 . . . . . . . . . . . . 8 18863 2 25 2 120.754 . . . . . . . . . . . . 8 18863 2 26 1 8.056 . . . . . . . . . . . . 8 18863 2 26 2 120.616 . . . . . . . . . . . . 8 18863 2 27 1 8.394 . . . . . . . . . . . . 8 18863 2 27 2 120.610 . . . . . . . . . . . . 8 18863 2 28 1 8.210 . . . . . . . . . . . . 8 18863 2 28 2 120.614 . . . . . . . . . . . . 8 18863 2 29 1 8.248 . . . . . . . . . . . . 8 18863 2 29 2 120.500 . . . . . . . . . . . . 8 18863 2 30 1 8.345 . . . . . . . . . . . . 8 18863 2 30 2 120.446 . . . . . . . . . . . . 8 18863 2 31 1 8.505 . . . . . . . . . . . . 8 18863 2 31 2 120.404 . . . . . . . . . . . . 8 18863 2 32 1 8.287 . . . . . . . . . . . . 8 18863 2 32 2 120.389 . . . . . . . . . . . . 8 18863 2 33 1 8.027 . . . . . . . . . . . . 8 18863 2 33 2 120.254 . . . . . . . . . . . . 8 18863 2 34 1 7.781 . . . . . . . . . . . . 8 18863 2 34 2 120.283 . . . . . . . . . . . . 8 18863 2 35 1 7.875 . . . . . . . . . . . . 8 18863 2 35 2 120.228 . . . . . . . . . . . . 8 18863 2 36 1 8.182 . . . . . . . . . . . . 8 18863 2 36 2 120.125 . . . . . . . . . . . . 8 18863 2 37 1 8.531 . . . . . . . . . . . . 8 18863 2 37 2 119.999 . . . . . . . . . . . . 8 18863 2 38 1 7.706 . . . . . . . . . . . . 8 18863 2 38 2 119.782 . . . . . . . . . . . . 8 18863 2 39 1 7.634 . . . . . . . . . . . . 8 18863 2 39 2 119.802 . . . . . . . . . . . . 8 18863 2 40 1 7.819 . . . . . . . . . . . . 8 18863 2 40 2 119.749 . . . . . . . . . . . . 8 18863 2 41 1 8.084 . . . . . . . . . . . . 8 18863 2 41 2 119.725 . . . . . . . . . . . . 8 18863 2 42 1 8.231 . . . . . . . . . . . . 8 18863 2 42 2 119.656 . . . . . . . . . . . . 8 18863 2 43 1 8.474 . . . . . . . . . . . . 8 18863 2 43 2 119.635 . . . . . . . . . . . . 8 18863 2 44 1 8.181 . . . . . . . . . . . . 8 18863 2 44 2 119.509 . . . . . . . . . . . . 8 18863 2 45 1 8.078 . . . . . . . . . . . . 8 18863 2 45 2 119.491 . . . . . . . . . . . . 8 18863 2 46 1 7.964 . . . . . . . . . . . . 8 18863 2 46 2 119.519 . . . . . . . . . . . . 8 18863 2 47 1 7.515 . . . . . . . . . . . . 8 18863 2 47 2 119.399 . . . . . . . . . . . . 8 18863 2 48 1 7.620 . . . . . . . . . . . . 8 18863 2 48 2 119.261 . . . . . . . . . . . . 8 18863 2 49 1 7.640 . . . . . . . . . . . . 8 18863 2 49 2 119.095 . . . . . . . . . . . . 8 18863 2 50 1 8.022 . . . . . . . . . . . . 8 18863 2 50 2 118.732 . . . . . . . . . . . . 8 18863 2 51 1 8.391 . . . . . . . . . . . . 8 18863 2 51 2 118.559 . . . . . . . . . . . . 8 18863 2 52 1 7.822 . . . . . . . . . . . . 8 18863 2 52 2 118.413 . . . . . . . . . . . . 8 18863 2 53 1 7.488 . . . . . . . . . . . . 8 18863 2 53 2 118.248 . . . . . . . . . . . . 8 18863 2 54 1 8.399 . . . . . . . . . . . . 8 18863 2 54 2 117.986 . . . . . . . . . . . . 8 18863 2 55 1 7.829 . . . . . . . . . . . . 8 18863 2 55 2 117.993 . . . . . . . . . . . . 8 18863 2 56 1 7.585 . . . . . . . . . . . . 8 18863 2 56 2 117.955 . . . . . . . . . . . . 8 18863 2 57 1 7.971 . . . . . . . . . . . . 8 18863 2 57 2 117.847 . . . . . . . . . . . . 8 18863 2 58 1 7.697 . . . . . . . . . . . . 8 18863 2 58 2 117.846 . . . . . . . . . . . . 8 18863 2 59 1 7.780 . . . . . . . . . . . . 8 18863 2 59 2 117.780 . . . . . . . . . . . . 8 18863 2 60 1 7.897 . . . . . . . . . . . . 8 18863 2 60 2 117.492 . . . . . . . . . . . . 8 18863 2 61 1 7.677 . . . . . . . . . . . . 8 18863 2 61 2 117.311 . . . . . . . . . . . . 8 18863 2 62 1 7.882 . . . . . . . . . . . . 8 18863 2 62 2 117.236 . . . . . . . . . . . . 8 18863 2 63 1 7.746 . . . . . . . . . . . . 8 18863 2 63 2 117.170 . . . . . . . . . . . . 8 18863 2 64 1 7.929 . . . . . . . . . . . . 8 18863 2 64 2 116.922 . . . . . . . . . . . . 8 18863 2 65 1 7.983 . . . . . . . . . . . . 8 18863 2 65 2 116.736 . . . . . . . . . . . . 8 18863 2 66 1 7.884 . . . . . . . . . . . . 8 18863 2 66 2 116.664 . . . . . . . . . . . . 8 18863 2 67 1 8.394 . . . . . . . . . . . . 8 18863 2 67 2 116.101 . . . . . . . . . . . . 8 18863 2 68 1 7.061 . . . . . . . . . . . . 8 18863 2 68 2 116.087 . . . . . . . . . . . . 8 18863 2 69 1 8.161 . . . . . . . . . . . . 8 18863 2 69 2 115.944 . . . . . . . . . . . . 8 18863 2 70 1 8.120 . . . . . . . . . . . . 8 18863 2 70 2 115.309 . . . . . . . . . . . . 8 18863 2 71 1 8.153 . . . . . . . . . . . . 8 18863 2 71 2 114.826 . . . . . . . . . . . . 8 18863 2 72 1 7.575 . . . . . . . . . . . . 8 18863 2 72 2 114.008 . . . . . . . . . . . . 8 18863 2 73 1 8.605 . . . . . . . . . . . . 8 18863 2 73 2 110.439 . . . . . . . . . . . . 8 18863 2 74 1 7.524 . . . . . . . . . . . . 8 18863 2 74 2 108.892 . . . . . . . . . . . . 8 18863 2 75 1 6.742 . . . . . . . . . . . . 8 18863 2 75 2 108.889 . . . . . . . . . . . . 8 18863 2 76 1 7.533 . . . . . . . . . . . . 8 18863 2 76 2 108.349 . . . . . . . . . . . . 8 18863 2 77 1 6.725 . . . . . . . . . . . . 8 18863 2 77 2 108.347 . . . . . . . . . . . . 8 18863 2 78 1 8.635 . . . . . . . . . . . . 8 18863 2 78 2 107.489 . . . . . . . . . . . . 8 18863 2 79 1 8.057 . . . . . . . . . . . . 8 18863 2 79 2 107.303 . . . . . . . . . . . . 8 18863 2 80 1 7.927 . . . . . . . . . . . . 8 18863 2 80 2 106.521 . . . . . . . . . . . . 8 18863 2 81 1 8.026 . . . . . . . . . . . . 8 18863 2 81 2 106.116 . . . . . . . . . . . . 8 18863 2 82 1 8.222 . . . . . . . . . . . . 8 18863 2 82 2 105.485 . . . . . . . . . . . . 8 18863 2 83 1 8.078 . . . . . . . . . . . . 8 18863 2 83 2 120.547 . . . . . . . . . . . . 8 18863 2 84 1 10.142 . . . . . . . . . . . . 8 18863 2 84 2 128.811 . . . . . . . . . . . . 8 18863 2 85 1 9.771 . . . . . . . . . . . . 8 18863 2 85 2 128.443 . . . . . . . . . . . . 8 18863 2 86 1 8.341 . . . . . . . . . . . . 8 18863 2 86 2 125.008 . . . . . . . . . . . . 8 18863 2 87 1 7.935 . . . . . . . . . . . . 8 18863 2 87 2 123.891 . . . . . . . . . . . . 8 18863 2 88 1 8.307 . . . . . . . . . . . . 8 18863 2 88 2 123.691 . . . . . . . . . . . . 8 18863 2 89 1 8.542 . . . . . . . . . . . . 8 18863 2 89 2 123.515 . . . . . . . . . . . . 8 18863 2 90 1 8.241 . . . . . . . . . . . . 8 18863 2 90 2 123.098 . . . . . . . . . . . . 8 18863 2 91 1 8.121 . . . . . . . . . . . . 8 18863 2 91 2 123.058 . . . . . . . . . . . . 8 18863 2 92 1 8.316 . . . . . . . . . . . . 8 18863 2 92 2 122.868 . . . . . . . . . . . . 8 18863 2 93 1 8.003 . . . . . . . . . . . . 8 18863 2 93 2 122.685 . . . . . . . . . . . . 8 18863 2 94 1 8.162 . . . . . . . . . . . . 8 18863 2 94 2 122.649 . . . . . . . . . . . . 8 18863 2 95 1 8.106 . . . . . . . . . . . . 8 18863 2 95 2 122.617 . . . . . . . . . . . . 8 18863 2 96 1 8.023 . . . . . . . . . . . . 8 18863 2 96 2 122.364 . . . . . . . . . . . . 8 18863 2 97 1 7.821 . . . . . . . . . . . . 8 18863 2 97 2 122.372 . . . . . . . . . . . . 8 18863 2 98 1 7.910 . . . . . . . . . . . . 8 18863 2 98 2 121.719 . . . . . . . . . . . . 8 18863 2 99 1 8.164 . . . . . . . . . . . . 8 18863 2 99 2 121.559 . . . . . . . . . . . . 8 18863 2 100 1 7.860 . . . . . . . . . . . . 8 18863 2 100 2 121.557 . . . . . . . . . . . . 8 18863 2 101 1 8.543 . . . . . . . . . . . . 8 18863 2 101 2 121.453 . . . . . . . . . . . . 8 18863 2 102 1 8.273 . . . . . . . . . . . . 8 18863 2 102 2 121.260 . . . . . . . . . . . . 8 18863 2 103 1 8.156 . . . . . . . . . . . . 8 18863 2 103 2 121.101 . . . . . . . . . . . . 8 18863 2 104 1 8.135 . . . . . . . . . . . . 8 18863 2 104 2 121.070 . . . . . . . . . . . . 8 18863 2 105 1 7.957 . . . . . . . . . . . . 8 18863 2 105 2 121.022 . . . . . . . . . . . . 8 18863 2 106 1 8.306 . . . . . . . . . . . . 8 18863 2 106 2 120.951 . . . . . . . . . . . . 8 18863 2 107 1 8.584 . . . . . . . . . . . . 8 18863 2 107 2 120.934 . . . . . . . . . . . . 8 18863 2 108 1 8.799 . . . . . . . . . . . . 8 18863 2 108 2 120.754 . . . . . . . . . . . . 8 18863 2 109 1 8.056 . . . . . . . . . . . . 8 18863 2 109 2 120.616 . . . . . . . . . . . . 8 18863 2 110 1 8.394 . . . . . . . . . . . . 8 18863 2 110 2 120.610 . . . . . . . . . . . . 8 18863 2 111 1 8.210 . . . . . . . . . . . . 8 18863 2 111 2 120.614 . . . . . . . . . . . . 8 18863 2 112 1 8.248 . . . . . . . . . . . . 8 18863 2 112 2 120.500 . . . . . . . . . . . . 8 18863 2 113 1 8.345 . . . . . . . . . . . . 8 18863 2 113 2 120.446 . . . . . . . . . . . . 8 18863 2 114 1 8.505 . . . . . . . . . . . . 8 18863 2 114 2 120.404 . . . . . . . . . . . . 8 18863 2 115 1 8.287 . . . . . . . . . . . . 8 18863 2 115 2 120.389 . . . . . . . . . . . . 8 18863 2 116 1 8.027 . . . . . . . . . . . . 8 18863 2 116 2 120.254 . . . . . . . . . . . . 8 18863 2 117 1 7.781 . . . . . . . . . . . . 8 18863 2 117 2 120.283 . . . . . . . . . . . . 8 18863 2 118 1 7.875 . . . . . . . . . . . . 8 18863 2 118 2 120.228 . . . . . . . . . . . . 8 18863 2 119 1 8.182 . . . . . . . . . . . . 8 18863 2 119 2 120.125 . . . . . . . . . . . . 8 18863 2 120 1 8.531 . . . . . . . . . . . . 8 18863 2 120 2 119.999 . . . . . . . . . . . . 8 18863 2 121 1 7.706 . . . . . . . . . . . . 8 18863 2 121 2 119.782 . . . . . . . . . . . . 8 18863 2 122 1 7.634 . . . . . . . . . . . . 8 18863 2 122 2 119.802 . . . . . . . . . . . . 8 18863 2 123 1 7.819 . . . . . . . . . . . . 8 18863 2 123 2 119.749 . . . . . . . . . . . . 8 18863 2 124 1 8.084 . . . . . . . . . . . . 8 18863 2 124 2 119.725 . . . . . . . . . . . . 8 18863 2 125 1 8.231 . . . . . . . . . . . . 8 18863 2 125 2 119.656 . . . . . . . . . . . . 8 18863 2 126 1 8.474 . . . . . . . . . . . . 8 18863 2 126 2 119.635 . . . . . . . . . . . . 8 18863 2 127 1 8.181 . . . . . . . . . . . . 8 18863 2 127 2 119.509 . . . . . . . . . . . . 8 18863 2 128 1 8.078 . . . . . . . . . . . . 8 18863 2 128 2 119.491 . . . . . . . . . . . . 8 18863 2 129 1 7.964 . . . . . . . . . . . . 8 18863 2 129 2 119.519 . . . . . . . . . . . . 8 18863 2 130 1 7.515 . . . . . . . . . . . . 8 18863 2 130 2 119.399 . . . . . . . . . . . . 8 18863 2 131 1 7.620 . . . . . . . . . . . . 8 18863 2 131 2 119.261 . . . . . . . . . . . . 8 18863 2 132 1 7.640 . . . . . . . . . . . . 8 18863 2 132 2 119.095 . . . . . . . . . . . . 8 18863 2 133 1 8.022 . . . . . . . . . . . . 8 18863 2 133 2 118.732 . . . . . . . . . . . . 8 18863 2 134 1 8.391 . . . . . . . . . . . . 8 18863 2 134 2 118.559 . . . . . . . . . . . . 8 18863 2 135 1 7.822 . . . . . . . . . . . . 8 18863 2 135 2 118.413 . . . . . . . . . . . . 8 18863 2 136 1 7.488 . . . . . . . . . . . . 8 18863 2 136 2 118.248 . . . . . . . . . . . . 8 18863 2 137 1 8.399 . . . . . . . . . . . . 8 18863 2 137 2 117.986 . . . . . . . . . . . . 8 18863 2 138 1 7.829 . . . . . . . . . . . . 8 18863 2 138 2 117.993 . . . . . . . . . . . . 8 18863 2 139 1 7.585 . . . . . . . . . . . . 8 18863 2 139 2 117.955 . . . . . . . . . . . . 8 18863 2 140 1 7.971 . . . . . . . . . . . . 8 18863 2 140 2 117.847 . . . . . . . . . . . . 8 18863 2 141 1 7.697 . . . . . . . . . . . . 8 18863 2 141 2 117.846 . . . . . . . . . . . . 8 18863 2 142 1 7.780 . . . . . . . . . . . . 8 18863 2 142 2 117.780 . . . . . . . . . . . . 8 18863 2 143 1 7.897 . . . . . . . . . . . . 8 18863 2 143 2 117.492 . . . . . . . . . . . . 8 18863 2 144 1 7.677 . . . . . . . . . . . . 8 18863 2 144 2 117.311 . . . . . . . . . . . . 8 18863 2 145 1 7.882 . . . . . . . . . . . . 8 18863 2 145 2 117.236 . . . . . . . . . . . . 8 18863 2 146 1 7.746 . . . . . . . . . . . . 8 18863 2 146 2 117.170 . . . . . . . . . . . . 8 18863 2 147 1 7.929 . . . . . . . . . . . . 8 18863 2 147 2 116.922 . . . . . . . . . . . . 8 18863 2 148 1 7.983 . . . . . . . . . . . . 8 18863 2 148 2 116.736 . . . . . . . . . . . . 8 18863 2 149 1 7.884 . . . . . . . . . . . . 8 18863 2 149 2 116.664 . . . . . . . . . . . . 8 18863 2 150 1 8.394 . . . . . . . . . . . . 8 18863 2 150 2 116.101 . . . . . . . . . . . . 8 18863 2 151 1 7.061 . . . . . . . . . . . . 8 18863 2 151 2 116.087 . . . . . . . . . . . . 8 18863 2 152 1 8.161 . . . . . . . . . . . . 8 18863 2 152 2 115.944 . . . . . . . . . . . . 8 18863 2 153 1 8.120 . . . . . . . . . . . . 8 18863 2 153 2 115.309 . . . . . . . . . . . . 8 18863 2 154 1 8.153 . . . . . . . . . . . . 8 18863 2 154 2 114.826 . . . . . . . . . . . . 8 18863 2 155 1 7.575 . . . . . . . . . . . . 8 18863 2 155 2 114.008 . . . . . . . . . . . . 8 18863 2 156 1 8.605 . . . . . . . . . . . . 8 18863 2 156 2 110.439 . . . . . . . . . . . . 8 18863 2 157 1 7.524 . . . . . . . . . . . . 8 18863 2 157 2 108.892 . . . . . . . . . . . . 8 18863 2 158 1 6.742 . . . . . . . . . . . . 8 18863 2 158 2 108.889 . . . . . . . . . . . . 8 18863 2 159 1 7.533 . . . . . . . . . . . . 8 18863 2 159 2 108.349 . . . . . . . . . . . . 8 18863 2 160 1 6.725 . . . . . . . . . . . . 8 18863 2 160 2 108.347 . . . . . . . . . . . . 8 18863 2 161 1 8.635 . . . . . . . . . . . . 8 18863 2 161 2 107.489 . . . . . . . . . . . . 8 18863 2 162 1 8.057 . . . . . . . . . . . . 8 18863 2 162 2 107.303 . . . . . . . . . . . . 8 18863 2 163 1 7.927 . . . . . . . . . . . . 8 18863 2 163 2 106.521 . . . . . . . . . . . . 8 18863 2 164 1 8.026 . . . . . . . . . . . . 8 18863 2 164 2 106.116 . . . . . . . . . . . . 8 18863 2 165 1 8.222 . . . . . . . . . . . . 8 18863 2 165 2 105.485 . . . . . . . . . . . . 8 18863 2 166 1 8.078 . . . . . . . . . . . . 8 18863 2 166 2 120.547 . . . . . . . . . . . . 8 18863 2 167 1 8.097 . . . . . . . . . . . . 8 18863 2 167 2 122.443 . . . . . . . . . . . . 8 18863 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 . . 10.142 . . 1 . 1 1 67 TRP HE1 . . . . . . . . . . 1 . 18863 2 1 2 1 . . 128.811 . . 1 . 1 1 67 TRP NE1 . . . . . . . . . . 2 . 18863 2 2 1 1 . . 9.771 . . 1 . 1 1 49 TRP HE1 . . . . . . . . . . 3 . 18863 2 2 2 1 . . 128.443 . . 1 . 1 1 49 TRP NE1 . . . . . . . . . . 4 . 18863 2 3 1 1 . . 8.341 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 2 3 2 1 . . 125.008 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 2 4 1 1 . . 7.935 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 2 4 2 1 . . 123.891 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 2 5 1 1 . . 8.307 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 2 5 2 1 . . 123.691 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 2 6 1 1 . . 8.542 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 2 6 2 1 . . 123.515 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 2 7 1 1 . . 8.241 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 2 7 2 1 . . 123.098 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 2 8 1 1 . . 8.121 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 2 8 2 1 . . 123.058 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 2 9 1 1 . . 8.316 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 2 9 2 1 . . 122.868 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 2 10 1 1 . . 8.003 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 2 10 2 1 . . 122.685 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 2 11 1 1 . . 8.162 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 2 11 2 1 . . 122.649 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 2 12 1 1 . . 8.106 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 2 12 2 1 . . 122.617 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 2 13 1 1 . . 8.023 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 2 13 2 1 . . 122.364 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 2 14 1 1 . . 7.821 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 2 14 2 1 . . 122.372 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 2 15 1 1 . . 7.910 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 2 15 2 1 . . 121.719 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 2 16 1 1 . . 8.164 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 2 16 2 1 . . 121.559 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 2 17 1 1 . . 7.860 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 2 17 2 1 . . 121.557 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 2 18 1 1 . . 8.543 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 2 18 2 1 . . 121.453 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 2 19 1 1 . . 8.273 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 2 19 2 1 . . 121.260 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 2 20 1 1 . . 8.156 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 2 20 2 1 . . 121.101 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 2 21 1 1 . . 8.135 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 2 21 2 1 . . 121.070 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 2 22 1 1 . . 7.957 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 2 22 2 1 . . 121.022 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 2 23 1 1 . . 8.306 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 2 23 2 1 . . 120.951 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 2 24 1 1 . . 8.584 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 2 24 2 1 . . 120.934 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 2 25 1 1 . . 8.799 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 2 25 2 1 . . 120.754 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 2 26 1 2 . . 8.056 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 2 26 2 2 . . 120.616 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 2 27 1 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 2 27 2 1 . . 120.610 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 2 28 1 1 . . 8.210 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 2 28 2 1 . . 120.614 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 2 29 1 1 . . 8.248 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 2 29 2 1 . . 120.500 . . 1 . 1 1 10 ALA N . . . . . . . . . . 58 . 18863 2 30 1 1 . . 8.345 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 2 30 2 1 . . 120.446 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 2 31 1 1 . . 8.505 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 2 31 2 1 . . 120.404 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 2 32 1 1 . . 8.287 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 2 32 2 1 . . 120.389 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 2 33 1 1 . . 8.027 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 2 33 2 1 . . 120.254 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 2 34 1 1 . . 7.781 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 2 34 2 1 . . 120.283 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 2 35 1 1 . . 7.875 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 2 35 2 1 . . 120.228 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 2 36 1 1 . . 8.182 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 2 36 2 1 . . 120.125 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 2 37 1 1 . . 8.531 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 2 37 2 1 . . 119.999 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 2 38 1 1 . . 7.706 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 2 38 2 1 . . 119.782 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 2 39 1 1 . . 7.634 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 2 39 2 1 . . 119.802 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 2 40 1 1 . . 7.819 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 2 40 2 1 . . 119.749 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 2 41 1 1 . . 8.084 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 2 41 2 1 . . 119.725 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 2 42 1 1 . . 8.231 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 2 42 2 1 . . 119.656 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 2 43 1 1 . . 8.474 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 2 43 2 1 . . 119.635 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 2 44 1 1 . . 8.181 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 2 44 2 1 . . 119.509 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 2 45 1 1 . . 8.078 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 2 45 2 1 . . 119.491 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 2 46 1 1 . . 7.964 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 2 46 2 1 . . 119.519 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 2 47 1 1 . . 7.515 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 2 47 2 1 . . 119.399 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 2 48 1 1 . . 7.620 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 2 48 2 1 . . 119.261 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 2 49 1 1 . . 7.640 . . 1 . 1 1 76 LEU H . . . . . . . . . . 97 . 18863 2 49 2 1 . . 119.095 . . 1 . 1 1 76 LEU N . . . . . . . . . . 98 . 18863 2 50 1 1 . . 8.022 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 2 50 2 1 . . 118.732 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 2 51 1 1 . . 8.391 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 2 51 2 1 . . 118.559 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 2 52 1 1 . . 7.822 . . 1 . 1 1 73 LEU H . . . . . . . . . . 103 . 18863 2 52 2 1 . . 118.413 . . 1 . 1 1 73 LEU N . . . . . . . . . . 104 . 18863 2 53 1 1 . . 7.488 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 2 53 2 1 . . 118.248 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 2 54 1 1 . . 8.399 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 2 54 2 1 . . 117.986 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 2 55 1 1 . . 7.829 . . 1 . 1 1 71 LEU H . . . . . . . . . . 109 . 18863 2 55 2 1 . . 117.993 . . 1 . 1 1 71 LEU N . . . . . . . . . . 110 . 18863 2 56 1 1 . . 7.585 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 2 56 2 1 . . 117.955 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 2 57 1 1 . . 7.971 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 2 57 2 1 . . 117.847 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 2 58 1 1 . . 7.697 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 2 58 2 1 . . 117.846 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 2 59 1 1 . . 7.780 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 2 59 2 1 . . 117.780 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 2 60 1 1 . . 7.897 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 2 60 2 1 . . 117.492 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 2 61 1 1 . . 7.677 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 2 61 2 1 . . 117.311 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 2 62 1 1 . . 7.882 . . 1 . . . . . . . . . . . . . . . . 123 . 18863 2 62 2 1 . . 117.236 . . 1 . . . . . . . . . . . . . . . . 124 . 18863 2 63 1 1 . . 7.746 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 2 63 2 1 . . 117.170 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 2 64 1 1 . . 7.929 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 2 64 2 1 . . 116.922 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 2 65 1 1 . . 7.983 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 2 65 2 1 . . 116.736 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 2 66 1 1 . . 7.884 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 2 66 2 1 . . 116.664 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 2 67 1 1 . . 8.394 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 2 67 2 1 . . 116.101 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 2 68 1 1 . . 7.061 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 2 68 2 1 . . 116.087 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 2 69 1 1 . . 8.161 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 2 69 2 1 . . 115.944 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 2 70 1 1 . . 8.120 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 2 70 2 1 . . 115.309 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 2 71 1 1 . . 8.153 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 2 71 2 1 . . 114.826 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 2 72 1 1 . . 7.575 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 2 72 2 1 . . 114.008 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 2 73 1 1 . . 8.605 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 2 73 2 1 . . 110.439 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 2 74 1 1 . . 7.524 . . 1 . 1 1 28 ASN HD21 . . . . . . . . . . 147 . 18863 2 74 2 1 . . 108.892 . . 1 . 1 1 28 ASN ND2 . . . . . . . . . . 148 . 18863 2 75 1 1 . . 6.742 . . 1 . 1 1 28 ASN HD22 . . . . . . . . . . 149 . 18863 2 75 2 2 . . 108.889 . . 1 . 1 1 28 ASN ND2 . . . . . . . . . . 148 . 18863 2 76 1 1 . . 7.533 . . 1 . 1 1 23 ASN HD21 . . . . . . . . . . 151 . 18863 2 76 2 1 . . 108.349 . . 1 . 1 1 23 ASN ND2 . . . . . . . . . . 152 . 18863 2 77 1 1 . . 6.725 . . 1 . 1 1 23 ASN HD22 . . . . . . . . . . 153 . 18863 2 77 2 1 . . 108.347 . . 1 . . . . . . . . . . . . . . . . 154 . 18863 2 78 1 1 . . 8.635 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 2 78 2 1 . . 107.489 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 2 79 1 1 . . 8.057 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 2 79 2 1 . . 107.303 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 2 80 1 1 . . 7.927 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 2 80 2 1 . . 106.521 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 2 81 1 1 . . 8.026 . . 1 . . . . . . . . . . . . . . . . 161 . 18863 2 81 2 1 . . 106.116 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 2 82 1 1 . . 8.222 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 2 82 2 1 . . 105.485 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 2 83 1 1 . . 8.078 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 2 83 2 1 . . 120.547 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 2 84 1 1 . . 10.142 . . 1 . 1 1 67 TRP HE1 . . . . . . . . . . 1 . 18863 2 84 2 1 . . 128.811 . . 1 . 1 1 67 TRP NE1 . . . . . . . . . . 2 . 18863 2 85 1 1 . . 9.771 . . 1 . 1 1 49 TRP HE1 . . . . . . . . . . 3 . 18863 2 85 2 1 . . 128.443 . . 1 . 1 1 49 TRP NE1 . . . . . . . . . . 4 . 18863 2 86 1 1 . . 8.341 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 2 86 2 1 . . 125.008 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 2 87 1 1 . . 7.935 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 2 87 2 1 . . 123.891 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 2 88 1 1 . . 8.307 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 2 88 2 1 . . 123.691 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 2 89 1 1 . . 8.542 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 2 89 2 1 . . 123.515 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 2 90 1 1 . . 8.241 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 2 90 2 1 . . 123.098 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 2 91 1 1 . . 8.121 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 2 91 2 1 . . 123.058 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 2 92 1 1 . . 8.316 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 2 92 2 1 . . 122.868 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 2 93 1 1 . . 8.003 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 2 93 2 1 . . 122.685 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 2 94 1 1 . . 8.162 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 2 94 2 1 . . 122.649 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 2 95 1 1 . . 8.106 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 2 95 2 1 . . 122.617 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 2 96 1 1 . . 8.023 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 2 96 2 1 . . 122.364 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 2 97 1 1 . . 7.821 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 2 97 2 1 . . 122.372 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 2 98 1 1 . . 7.910 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 2 98 2 1 . . 121.719 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 2 99 1 1 . . 8.164 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 2 99 2 1 . . 121.559 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 2 100 1 1 . . 7.860 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 2 100 2 1 . . 121.557 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 2 101 1 1 . . 8.543 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 2 101 2 1 . . 121.453 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 2 102 1 1 . . 8.273 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 2 102 2 1 . . 121.260 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 2 103 1 1 . . 8.156 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 2 103 2 1 . . 121.101 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 2 104 1 1 . . 8.135 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 2 104 2 1 . . 121.070 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 2 105 1 1 . . 7.957 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 2 105 2 1 . . 121.022 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 2 106 1 1 . . 8.306 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 2 106 2 1 . . 120.951 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 2 107 1 1 . . 8.584 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 2 107 2 1 . . 120.934 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 2 108 1 1 . . 8.799 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 2 108 2 1 . . 120.754 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 2 109 1 2 . . 8.056 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 2 109 2 2 . . 120.616 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 2 110 1 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 2 110 2 1 . . 120.610 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 2 111 1 1 . . 8.210 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 2 111 2 1 . . 120.614 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 2 112 1 1 . . 8.248 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 2 112 2 1 . . 120.500 . . 1 . 1 1 10 ALA N . . . . . . . . . . 58 . 18863 2 113 1 1 . . 8.345 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 2 113 2 1 . . 120.446 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 2 114 1 1 . . 8.505 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 2 114 2 1 . . 120.404 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 2 115 1 1 . . 8.287 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 2 115 2 1 . . 120.389 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 2 116 1 1 . . 8.027 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 2 116 2 1 . . 120.254 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 2 117 1 1 . . 7.781 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 2 117 2 1 . . 120.283 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 2 118 1 1 . . 7.875 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 2 118 2 1 . . 120.228 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 2 119 1 1 . . 8.182 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 2 119 2 1 . . 120.125 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 2 120 1 1 . . 8.531 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 2 120 2 1 . . 119.999 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 2 121 1 1 . . 7.706 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 2 121 2 1 . . 119.782 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 2 122 1 1 . . 7.634 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 2 122 2 1 . . 119.802 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 2 123 1 1 . . 7.819 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 2 123 2 1 . . 119.749 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 2 124 1 1 . . 8.084 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 2 124 2 1 . . 119.725 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 2 125 1 1 . . 8.231 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 2 125 2 1 . . 119.656 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 2 126 1 1 . . 8.474 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 2 126 2 1 . . 119.635 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 2 127 1 1 . . 8.181 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 2 127 2 1 . . 119.509 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 2 128 1 1 . . 8.078 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 2 128 2 1 . . 119.491 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 2 129 1 1 . . 7.964 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 2 129 2 1 . . 119.519 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 2 130 1 1 . . 7.515 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 2 130 2 1 . . 119.399 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 2 131 1 1 . . 7.620 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 2 131 2 1 . . 119.261 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 2 132 1 1 . . 7.640 . . 1 . 1 1 76 LEU H . . . . . . . . . . 97 . 18863 2 132 2 1 . . 119.095 . . 1 . 1 1 76 LEU N . . . . . . . . . . 98 . 18863 2 133 1 1 . . 8.022 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 2 133 2 1 . . 118.732 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 2 134 1 1 . . 8.391 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 2 134 2 1 . . 118.559 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 2 135 1 1 . . 7.822 . . 1 . 1 1 73 LEU H . . . . . . . . . . 103 . 18863 2 135 2 1 . . 118.413 . . 1 . 1 1 73 LEU N . . . . . . . . . . 104 . 18863 2 136 1 1 . . 7.488 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 2 136 2 1 . . 118.248 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 2 137 1 1 . . 8.399 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 2 137 2 1 . . 117.986 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 2 138 1 1 . . 7.829 . . 1 . 1 1 71 LEU H . . . . . . . . . . 109 . 18863 2 138 2 1 . . 117.993 . . 1 . 1 1 71 LEU N . . . . . . . . . . 110 . 18863 2 139 1 1 . . 7.585 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 2 139 2 1 . . 117.955 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 2 140 1 1 . . 7.971 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 2 140 2 1 . . 117.847 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 2 141 1 1 . . 7.697 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 2 141 2 1 . . 117.846 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 2 142 1 1 . . 7.780 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 2 142 2 1 . . 117.780 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 2 143 1 1 . . 7.897 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 2 143 2 1 . . 117.492 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 2 144 1 1 . . 7.677 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 2 144 2 1 . . 117.311 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 2 145 1 1 . . 7.882 . . 1 . . . . . . . . . . . . . . . . 123 . 18863 2 145 2 1 . . 117.236 . . 1 . . . . . . . . . . . . . . . . 124 . 18863 2 146 1 1 . . 7.746 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 2 146 2 1 . . 117.170 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 2 147 1 1 . . 7.929 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 2 147 2 1 . . 116.922 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 2 148 1 1 . . 7.983 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 2 148 2 1 . . 116.736 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 2 149 1 1 . . 7.884 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 2 149 2 1 . . 116.664 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 2 150 1 1 . . 8.394 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 2 150 2 1 . . 116.101 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 2 151 1 1 . . 7.061 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 2 151 2 1 . . 116.087 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 2 152 1 1 . . 8.161 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 2 152 2 1 . . 115.944 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 2 153 1 1 . . 8.120 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 2 153 2 1 . . 115.309 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 2 154 1 1 . . 8.153 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 2 154 2 1 . . 114.826 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 2 155 1 1 . . 7.575 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 2 155 2 1 . . 114.008 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 2 156 1 1 . . 8.605 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 2 156 2 1 . . 110.439 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 2 157 1 1 . . 7.524 . . 1 . 1 1 28 ASN HD21 . . . . . . . . . . 147 . 18863 2 157 2 1 . . 108.892 . . 1 . 1 1 28 ASN ND2 . . . . . . . . . . 148 . 18863 2 158 1 1 . . 6.742 . . 1 . 1 1 28 ASN HD22 . . . . . . . . . . 149 . 18863 2 158 2 1 . . 108.889 . . 1 . . . . . . . . . . . . . . . . 150 . 18863 2 159 1 1 . . 7.533 . . 1 . 1 1 23 ASN HD21 . . . . . . . . . . 151 . 18863 2 159 2 1 . . 108.349 . . 1 . 1 1 23 ASN ND2 . . . . . . . . . . 152 . 18863 2 160 1 1 . . 6.725 . . 1 . 1 1 23 ASN HD22 . . . . . . . . . . 153 . 18863 2 160 2 1 . . 108.347 . . 1 . . . . . . . . . . . . . . . . 154 . 18863 2 161 1 1 . . 8.635 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 2 161 2 1 . . 107.489 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 2 162 1 1 . . 8.057 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 2 162 2 1 . . 107.303 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 2 163 1 1 . . 7.927 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 2 163 2 1 . . 106.521 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 2 164 1 1 . . 8.026 . . 1 . . . . . . . . . . . . . . . . 161 . 18863 2 164 2 1 . . 106.116 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 2 165 1 1 . . 8.222 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 2 165 2 1 . . 105.485 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 2 166 1 1 . . 8.078 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 2 166 2 1 . . 120.547 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 2 167 1 1 . . 8.097 . . 1 . 1 1 41 PHE H . . . . . . . . . . 193 . 18863 2 167 2 1 . . 122.443 . . 1 . 1 1 41 PHE N . . . . . . . . . . 594 . 18863 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 18863 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _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 . . 3002.930 . . . . . . . 18863 3 2 . . C 13 13C . . 3800.000 . . . . . . . 18863 3 3 . . N 15 15N . . 1650.029 . . . . . . . 18863 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 3 2 1.0 . . 18863 3 3 1.0 . . 18863 3 4 1.0 . . 18863 3 5 1.0 . . 18863 3 6 1.0 . . 18863 3 7 1.0 . . 18863 3 8 1.0 . . 18863 3 9 1.0 . . 18863 3 10 1.0 . . 18863 3 11 1.0 . . 18863 3 12 1.0 . . 18863 3 13 1.0 . . 18863 3 14 1.0 . . 18863 3 15 1.0 . . 18863 3 16 1.0 . . 18863 3 17 1.0 . . 18863 3 18 1.0 . . 18863 3 19 1.0 . . 18863 3 20 1.0 . . 18863 3 21 1.0 . . 18863 3 22 1.0 . . 18863 3 23 1.0 . . 18863 3 24 1.0 . . 18863 3 25 1.0 . . 18863 3 26 1.0 . . 18863 3 27 1.0 . . 18863 3 28 1.0 . . 18863 3 29 1.0 . . 18863 3 30 1.0 . . 18863 3 31 1.0 . . 18863 3 32 1.0 . . 18863 3 33 1.0 . . 18863 3 34 1.0 . . 18863 3 35 1.0 . . 18863 3 36 1.0 . . 18863 3 37 1.0 . . 18863 3 38 1.0 . . 18863 3 39 1.0 . . 18863 3 40 1.0 . . 18863 3 41 1.0 . . 18863 3 42 1.0 . . 18863 3 43 1.0 . . 18863 3 44 1.0 . . 18863 3 45 1.0 . . 18863 3 46 1.0 . . 18863 3 47 1.0 . . 18863 3 48 1.0 . . 18863 3 49 1.0 . . 18863 3 50 1.0 . . 18863 3 51 1.0 . . 18863 3 52 1.0 . . 18863 3 53 1.0 . . 18863 3 54 1.0 . . 18863 3 55 1.0 . . 18863 3 56 1.0 . . 18863 3 57 1.0 . . 18863 3 58 1.0 . . 18863 3 59 1.0 . . 18863 3 60 1.0 . . 18863 3 61 1.0 . . 18863 3 62 1.0 . . 18863 3 63 1.0 . . 18863 3 64 1.0 . . 18863 3 65 1.0 . . 18863 3 66 1.0 . . 18863 3 67 1.0 . . 18863 3 68 1.0 . . 18863 3 69 1.0 . . 18863 3 70 1.0 . . 18863 3 71 1.0 . . 18863 3 72 1.0 . . 18863 3 73 1.0 . . 18863 3 74 1.0 . . 18863 3 75 1.0 . . 18863 3 76 1.0 . . 18863 3 77 1.0 . . 18863 3 78 1.0 . . 18863 3 79 1.0 . . 18863 3 80 1.0 . . 18863 3 81 1.0 . . 18863 3 82 1.0 . . 18863 3 83 1.0 . . 18863 3 84 1.0 . . 18863 3 85 1.0 . . 18863 3 86 1.0 . . 18863 3 87 1.0 . . 18863 3 88 1.0 . . 18863 3 89 1.0 . . 18863 3 90 1.0 . . 18863 3 91 1.0 . . 18863 3 92 1.0 . . 18863 3 93 1.0 . . 18863 3 94 1.0 . . 18863 3 95 1.0 . . 18863 3 96 1.0 . . 18863 3 97 1.0 . . 18863 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 14100101.0000000 . height 18863 3 1 196630931.0000000 . volume 18863 3 2 36320184.0000000 . height 18863 3 2 514895602.5000000 . volume 18863 3 3 14236334.0000000 . height 18863 3 3 198109318.7500000 . volume 18863 3 4 15839794.0000000 . height 18863 3 4 236481764.0000000 . volume 18863 3 5 13923871.0000000 . height 18863 3 5 196575486.7500000 . volume 18863 3 6 10316570.0000000 . height 18863 3 6 147519995.0000000 . volume 18863 3 7 12224858.0000000 . height 18863 3 7 162938366.2500000 . volume 18863 3 8 43679924.0000000 . height 18863 3 8 632997032.5000000 . volume 18863 3 9 41773624.0000000 . height 18863 3 9 573639812.0000000 . volume 18863 3 10 18292696.0000000 . height 18863 3 10 258074459.5000000 . volume 18863 3 11 1974496.0000000 . height 18863 3 11 28970420.6562000 . volume 18863 3 12 8439011.0000000 . height 18863 3 12 119322379.5000000 . volume 18863 3 13 18279670.0000000 . height 18863 3 13 279460336.7500000 . volume 18863 3 14 23295246.0000000 . height 18863 3 14 350010950.0000000 . volume 18863 3 15 54976196.0000000 . height 18863 3 15 761265074.0000000 . volume 18863 3 16 15369929.0000000 . height 18863 3 16 225776171.0000000 . volume 18863 3 17 37571688.0000000 . height 18863 3 17 526506713.5000000 . volume 18863 3 18 10724482.0000000 . height 18863 3 18 166551538.9060000 . volume 18863 3 19 9037045.0000000 . height 18863 3 19 125481181.9380000 . volume 18863 3 20 14217093.0000000 . height 18863 3 20 201903517.7500000 . volume 18863 3 21 15918706.0000000 . height 18863 3 21 244021511.3750000 . volume 18863 3 22 19120892.0000000 . height 18863 3 22 281301329.5000000 . volume 18863 3 23 15070875.0000000 . height 18863 3 23 219963629.7500000 . volume 18863 3 24 16955686.0000000 . height 18863 3 24 237313277.7500000 . volume 18863 3 25 13217931.0000000 . height 18863 3 25 180842382.5000000 . volume 18863 3 26 25361294.0000000 . height 18863 3 26 396444136.2500000 . volume 18863 3 27 12812257.0000000 . height 18863 3 27 181048253.0000000 . volume 18863 3 28 11971133.0000000 . height 18863 3 28 189297343.2500000 . volume 18863 3 29 10898903.0000000 . height 18863 3 29 162436143.6250000 . volume 18863 3 30 3473225.5000000 . height 18863 3 30 55120190.0625000 . volume 18863 3 31 14060806.0000000 . height 18863 3 31 202708045.7500000 . volume 18863 3 32 11787167.0000000 . height 18863 3 32 178555831.0000000 . volume 18863 3 33 15094047.0000000 . height 18863 3 33 228412658.1250000 . volume 18863 3 34 2220780.0000000 . height 18863 3 34 35593041.8203000 . volume 18863 3 35 11023461.0000000 . height 18863 3 35 173639034.7500000 . volume 18863 3 36 2665046.5000000 . height 18863 3 36 41773946.2969000 . volume 18863 3 37 14275184.0000000 . height 18863 3 37 202142113.2500000 . volume 18863 3 38 37249452.0000000 . height 18863 3 38 535930539.5000000 . volume 18863 3 39 65376576.0000000 . height 18863 3 39 896093036.0000000 . volume 18863 3 40 55285656.0000000 . height 18863 3 40 793653589.3750000 . volume 18863 3 41 15388565.0000000 . height 18863 3 41 199809028.5000000 . volume 18863 3 42 83217512.0000000 . height 18863 3 42 1130966091.0000000 . volume 18863 3 43 13211566.0000000 . height 18863 3 43 210006405.1880000 . volume 18863 3 44 49132276.0000000 . height 18863 3 44 780827272.5000000 . volume 18863 3 45 3076680.2500000 . height 18863 3 45 54840673.1250000 . volume 18863 3 46 37933776.0000000 . height 18863 3 46 559699497.2500000 . volume 18863 3 47 42214880.0000000 . height 18863 3 47 597544815.0000000 . volume 18863 3 48 13930895.0000000 . height 18863 3 48 218087202.5000000 . volume 18863 3 49 13139013.0000000 . height 18863 3 49 185002650.5000000 . volume 18863 3 50 13600591.0000000 . height 18863 3 50 194243632.7500000 . volume 18863 3 51 2524667.0000000 . height 18863 3 51 30233019.0312000 . volume 18863 3 52 16833710.0000000 . height 18863 3 52 255188090.0000000 . volume 18863 3 53 12557352.0000000 . height 18863 3 53 182901756.2500000 . volume 18863 3 54 14711532.0000000 . height 18863 3 54 224534487.2500000 . volume 18863 3 55 36537184.0000000 . height 18863 3 55 543576201.0000000 . volume 18863 3 56 16040501.0000000 . height 18863 3 56 242204446.0000000 . volume 18863 3 57 50004708.0000000 . height 18863 3 57 718533313.0000000 . volume 18863 3 58 15466170.0000000 . height 18863 3 58 245864021.3750000 . volume 18863 3 59 16113032.0000000 . height 18863 3 59 225451890.5000000 . volume 18863 3 60 16585482.0000000 . height 18863 3 60 244804775.7500000 . volume 18863 3 61 12397009.0000000 . height 18863 3 61 173537126.0000000 . volume 18863 3 62 16670436.0000000 . height 18863 3 62 239081151.5000000 . volume 18863 3 63 38916860.0000000 . height 18863 3 63 569579944.0000000 . volume 18863 3 64 25381254.0000000 . height 18863 3 64 372931707.0000000 . volume 18863 3 65 8565165.0000000 . height 18863 3 65 162002860.2500000 . volume 18863 3 66 16912590.0000000 . height 18863 3 66 238850444.7500000 . volume 18863 3 67 36216592.0000000 . height 18863 3 67 506179680.5000000 . volume 18863 3 68 39735176.0000000 . height 18863 3 68 592378752.0000000 . volume 18863 3 69 2677796.5000000 . height 18863 3 69 42651132.1562000 . volume 18863 3 70 36199512.0000000 . height 18863 3 70 522595356.0000000 . volume 18863 3 71 28269432.0000000 . height 18863 3 71 409840787.0000000 . volume 18863 3 72 2060766.8750000 . height 18863 3 72 40161182.3125000 . volume 18863 3 73 41449512.0000000 . height 18863 3 73 593636299.0000000 . volume 18863 3 74 2020815.0000000 . height 18863 3 74 33893509.7930000 . volume 18863 3 75 40134088.0000000 . height 18863 3 75 571439875.5000000 . volume 18863 3 76 13846743.0000000 . height 18863 3 76 199329956.0000000 . volume 18863 3 77 42142352.0000000 . height 18863 3 77 590310810.0000000 . volume 18863 3 78 15616731.0000000 . height 18863 3 78 229730365.2500000 . volume 18863 3 79 50584032.0000000 . height 18863 3 79 733396226.0000000 . volume 18863 3 80 13227620.0000000 . height 18863 3 80 179355893.7500000 . volume 18863 3 81 62719896.0000000 . height 18863 3 81 908920500.0000000 . volume 18863 3 82 12098981.0000000 . height 18863 3 82 186927670.5000000 . volume 18863 3 83 3940421.2500000 . height 18863 3 83 50248963.3750000 . volume 18863 3 84 3332918.5000000 . height 18863 3 84 50571399.6250000 . volume 18863 3 85 11873411.0000000 . height 18863 3 85 183906916.2500000 . volume 18863 3 86 61800992.0000000 . height 18863 3 86 907812977.0000000 . volume 18863 3 87 36940420.0000000 . height 18863 3 87 526313967.0000000 . volume 18863 3 88 12297747.0000000 . height 18863 3 88 175619063.7500000 . volume 18863 3 89 21450648.0000000 . height 18863 3 89 303565943.0000000 . volume 18863 3 90 6736143.5000000 . height 18863 3 90 115606607.2500000 . volume 18863 3 91 -450516.0937500 . height 18863 3 91 -10543778.3945000 . volume 18863 3 92 -198492.0937500 . height 18863 3 92 -4257718.3110400 . volume 18863 3 93 189982.3750000 . height 18863 3 93 4215199.0726900 . volume 18863 3 94 -80467.2421875 . height 18863 3 94 -3736653.6406200 . volume 18863 3 95 -460781.2187500 . height 18863 3 95 -3615443.3764600 . volume 18863 3 96 -645871.8750000 . height 18863 3 96 -9615034.0478500 . volume 18863 3 97 121896.5937500 . height 18863 3 97 3687132.8623000 . volume 18863 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 8.339 . . . . . . . . . . . . 8 18863 3 1 2 48.506 . . . . . . . . . . . . 8 18863 3 1 3 124.999 . . . . . . . . . . . . 8 18863 3 2 1 7.934 . . . . . . . . . . . . 8 18863 3 2 2 48.010 . . . . . . . . . . . . 8 18863 3 2 3 123.901 . . . . . . . . . . . . 8 18863 3 3 1 8.306 . . . . . . . . . . . . 8 18863 3 3 2 68.286 . . . . . . . . . . . . 8 18863 3 3 3 123.687 . . . . . . . . . . . . 8 18863 3 4 1 8.538 . . . . . . . . . . . . 8 18863 3 4 2 58.453 . . . . . . . . . . . . 8 18863 3 4 3 123.507 . . . . . . . . . . . . 8 18863 3 5 1 8.240 . . . . . . . . . . . . 8 18863 3 5 2 48.836 . . . . . . . . . . . . 8 18863 3 5 3 123.081 . . . . . . . . . . . . 8 18863 3 6 1 8.122 . . . . . . . . . . . . 8 18863 3 6 2 63.780 . . . . . . . . . . . . 8 18863 3 6 3 123.064 . . . . . . . . . . . . 8 18863 3 7 1 8.315 . . . . . . . . . . . . 8 18863 3 7 2 65.877 . . . . . . . . . . . . 8 18863 3 7 3 122.870 . . . . . . . . . . . . 8 18863 3 8 1 8.001 . . . . . . . . . . . . 8 18863 3 8 2 64.903 . . . . . . . . . . . . 8 18863 3 8 3 122.687 . . . . . . . . . . . . 8 18863 3 9 1 8.161 . . . . . . . . . . . . 8 18863 3 9 2 59.375 . . . . . . . . . . . . 8 18863 3 9 3 122.652 . . . . . . . . . . . . 8 18863 3 10 1 8.106 . . . . . . . . . . . . 8 18863 3 10 2 60.479 . . . . . . . . . . . . 8 18863 3 10 3 122.639 . . . . . . . . . . . . 8 18863 3 11 1 8.106 . . . . . . . . . . . . 8 18863 3 11 2 59.322 . . . . . . . . . . . . 8 18863 3 11 3 122.577 . . . . . . . . . . . . 8 18863 3 12 1 8.095 . . . . . . . . . . . . 8 18863 3 12 2 64.477 . . . . . . . . . . . . 8 18863 3 12 3 122.396 . . . . . . . . . . . . 8 18863 3 13 1 8.021 . . . . . . . . . . . . 8 18863 3 13 2 61.889 . . . . . . . . . . . . 8 18863 3 13 3 122.376 . . . . . . . . . . . . 8 18863 3 14 1 7.819 . . . . . . . . . . . . 8 18863 3 14 2 56.931 . . . . . . . . . . . . 8 18863 3 14 3 122.391 . . . . . . . . . . . . 8 18863 3 15 1 7.909 . . . . . . . . . . . . 8 18863 3 15 2 61.478 . . . . . . . . . . . . 8 18863 3 15 3 121.738 . . . . . . . . . . . . 8 18863 3 16 1 8.160 . . . . . . . . . . . . 8 18863 3 16 2 57.874 . . . . . . . . . . . . 8 18863 3 16 3 121.548 . . . . . . . . . . . . 8 18863 3 17 1 7.858 . . . . . . . . . . . . 8 18863 3 17 2 62.089 . . . . . . . . . . . . 8 18863 3 17 3 121.562 . . . . . . . . . . . . 8 18863 3 18 1 8.539 . . . . . . . . . . . . 8 18863 3 18 2 57.819 . . . . . . . . . . . . 8 18863 3 18 3 121.486 . . . . . . . . . . . . 8 18863 3 19 1 8.273 . . . . . . . . . . . . 8 18863 3 19 2 63.747 . . . . . . . . . . . . 8 18863 3 19 3 121.257 . . . . . . . . . . . . 8 18863 3 20 1 8.155 . . . . . . . . . . . . 8 18863 3 20 2 62.566 . . . . . . . . . . . . 8 18863 3 20 3 121.112 . . . . . . . . . . . . 8 18863 3 21 1 8.129 . . . . . . . . . . . . 8 18863 3 21 2 59.876 . . . . . . . . . . . . 8 18863 3 21 3 121.062 . . . . . . . . . . . . 8 18863 3 22 1 7.955 . . . . . . . . . . . . 8 18863 3 22 2 57.732 . . . . . . . . . . . . 8 18863 3 22 3 120.990 . . . . . . . . . . . . 8 18863 3 23 1 8.302 . . . . . . . . . . . . 8 18863 3 23 2 68.815 . . . . . . . . . . . . 8 18863 3 23 3 120.973 . . . . . . . . . . . . 8 18863 3 24 1 8.581 . . . . . . . . . . . . 8 18863 3 24 2 57.194 . . . . . . . . . . . . 8 18863 3 24 3 120.933 . . . . . . . . . . . . 8 18863 3 25 1 8.797 . . . . . . . . . . . . 8 18863 3 25 2 63.267 . . . . . . . . . . . . 8 18863 3 25 3 120.750 . . . . . . . . . . . . 8 18863 3 26 1 8.053 . . . . . . . . . . . . 8 18863 3 26 2 68.790 . . . . . . . . . . . . 8 18863 3 26 3 120.609 . . . . . . . . . . . . 8 18863 3 27 1 8.081 . . . . . . . . . . . . 8 18863 3 27 2 66.532 . . . . . . . . . . . . 8 18863 3 27 3 120.526 . . . . . . . . . . . . 8 18863 3 28 1 8.392 . . . . . . . . . . . . 8 18863 3 28 2 57.819 . . . . . . . . . . . . 8 18863 3 28 3 120.582 . . . . . . . . . . . . 8 18863 3 29 1 8.205 . . . . . . . . . . . . 8 18863 3 29 2 62.312 . . . . . . . . . . . . 8 18863 3 29 3 120.604 . . . . . . . . . . . . 8 18863 3 30 1 8.227 . . . . . . . . . . . . 8 18863 3 30 2 59.979 . . . . . . . . . . . . 8 18863 3 30 3 120.494 . . . . . . . . . . . . 8 18863 3 31 1 8.248 . . . . . . . . . . . . 8 18863 3 31 2 57.121 . . . . . . . . . . . . 8 18863 3 31 3 120.513 . . . . . . . . . . . . 8 18863 3 32 1 8.344 . . . . . . . . . . . . 8 18863 3 32 2 63.613 . . . . . . . . . . . . 8 18863 3 32 3 120.465 . . . . . . . . . . . . 8 18863 3 33 1 8.504 . . . . . . . . . . . . 8 18863 3 33 2 59.826 . . . . . . . . . . . . 8 18863 3 33 3 120.407 . . . . . . . . . . . . 8 18863 3 34 1 8.309 . . . . . . . . . . . . 8 18863 3 34 2 63.572 . . . . . . . . . . . . 8 18863 3 34 3 120.457 . . . . . . . . . . . . 8 18863 3 35 1 8.285 . . . . . . . . . . . . 8 18863 3 35 2 60.101 . . . . . . . . . . . . 8 18863 3 35 3 120.448 . . . . . . . . . . . . 8 18863 3 36 1 8.291 . . . . . . . . . . . . 8 18863 3 36 2 63.546 . . . . . . . . . . . . 8 18863 3 36 3 120.414 . . . . . . . . . . . . 8 18863 3 37 1 8.287 . . . . . . . . . . . . 8 18863 3 37 2 57.802 . . . . . . . . . . . . 8 18863 3 37 3 120.328 . . . . . . . . . . . . 8 18863 3 38 1 8.024 . . . . . . . . . . . . 8 18863 3 38 2 55.997 . . . . . . . . . . . . 8 18863 3 38 3 120.265 . . . . . . . . . . . . 8 18863 3 39 1 7.780 . . . . . . . . . . . . 8 18863 3 39 2 55.069 . . . . . . . . . . . . 8 18863 3 39 3 120.293 . . . . . . . . . . . . 8 18863 3 40 1 7.874 . . . . . . . . . . . . 8 18863 3 40 2 55.385 . . . . . . . . . . . . 8 18863 3 40 3 120.220 . . . . . . . . . . . . 8 18863 3 41 1 8.193 . . . . . . . . . . . . 8 18863 3 41 2 60.122 . . . . . . . . . . . . 8 18863 3 41 3 120.307 . . . . . . . . . . . . 8 18863 3 42 1 8.181 . . . . . . . . . . . . 8 18863 3 42 2 64.770 . . . . . . . . . . . . 8 18863 3 42 3 120.098 . . . . . . . . . . . . 8 18863 3 43 1 8.532 . . . . . . . . . . . . 8 18863 3 43 2 57.745 . . . . . . . . . . . . 8 18863 3 43 3 120.012 . . . . . . . . . . . . 8 18863 3 44 1 7.707 . . . . . . . . . . . . 8 18863 3 44 2 54.448 . . . . . . . . . . . . 8 18863 3 44 3 119.778 . . . . . . . . . . . . 8 18863 3 45 1 7.645 . . . . . . . . . . . . 8 18863 3 45 2 60.756 . . . . . . . . . . . . 8 18863 3 45 3 119.943 . . . . . . . . . . . . 8 18863 3 46 1 7.632 . . . . . . . . . . . . 8 18863 3 46 2 57.949 . . . . . . . . . . . . 8 18863 3 46 3 119.809 . . . . . . . . . . . . 8 18863 3 47 1 7.818 . . . . . . . . . . . . 8 18863 3 47 2 59.091 . . . . . . . . . . . . 8 18863 3 47 3 119.714 . . . . . . . . . . . . 8 18863 3 48 1 8.083 . . . . . . . . . . . . 8 18863 3 48 2 56.863 . . . . . . . . . . . . 8 18863 3 48 3 119.676 . . . . . . . . . . . . 8 18863 3 49 1 8.231 . . . . . . . . . . . . 8 18863 3 49 2 63.246 . . . . . . . . . . . . 8 18863 3 49 3 119.676 . . . . . . . . . . . . 8 18863 3 50 1 8.469 . . . . . . . . . . . . 8 18863 3 50 2 61.144 . . . . . . . . . . . . 8 18863 3 50 3 119.629 . . . . . . . . . . . . 8 18863 3 51 1 8.188 . . . . . . . . . . . . 8 18863 3 51 2 64.756 . . . . . . . . . . . . 8 18863 3 51 3 119.567 . . . . . . . . . . . . 8 18863 3 52 1 8.180 . . . . . . . . . . . . 8 18863 3 52 2 59.666 . . . . . . . . . . . . 8 18863 3 52 3 119.472 . . . . . . . . . . . . 8 18863 3 53 1 8.079 . . . . . . . . . . . . 8 18863 3 53 2 66.453 . . . . . . . . . . . . 8 18863 3 53 3 119.477 . . . . . . . . . . . . 8 18863 3 54 1 7.961 . . . . . . . . . . . . 8 18863 3 54 2 56.848 . . . . . . . . . . . . 8 18863 3 54 3 119.511 . . . . . . . . . . . . 8 18863 3 55 1 7.513 . . . . . . . . . . . . 8 18863 3 55 2 59.459 . . . . . . . . . . . . 8 18863 3 55 3 119.409 . . . . . . . . . . . . 8 18863 3 56 1 7.615 . . . . . . . . . . . . 8 18863 3 56 2 60.779 . . . . . . . . . . . . 8 18863 3 56 3 119.271 . . . . . . . . . . . . 8 18863 3 57 1 7.640 . . . . . . . . . . . . 8 18863 3 57 2 54.310 . . . . . . . . . . . . 8 18863 3 57 3 119.094 . . . . . . . . . . . . 8 18863 3 58 1 8.021 . . . . . . . . . . . . 8 18863 3 58 2 57.003 . . . . . . . . . . . . 8 18863 3 58 3 118.735 . . . . . . . . . . . . 8 18863 3 59 1 8.389 . . . . . . . . . . . . 8 18863 3 59 2 60.878 . . . . . . . . . . . . 8 18863 3 59 3 118.582 . . . . . . . . . . . . 8 18863 3 60 1 7.487 . . . . . . . . . . . . 8 18863 3 60 2 47.898 . . . . . . . . . . . . 8 18863 3 60 3 118.244 . . . . . . . . . . . . 8 18863 3 61 1 8.396 . . . . . . . . . . . . 8 18863 3 61 2 63.459 . . . . . . . . . . . . 8 18863 3 61 3 117.987 . . . . . . . . . . . . 8 18863 3 62 1 7.584 . . . . . . . . . . . . 8 18863 3 62 2 58.494 . . . . . . . . . . . . 8 18863 3 62 3 117.958 . . . . . . . . . . . . 8 18863 3 63 1 7.970 . . . . . . . . . . . . 8 18863 3 63 2 55.527 . . . . . . . . . . . . 8 18863 3 63 3 117.820 . . . . . . . . . . . . 8 18863 3 64 1 7.697 . . . . . . . . . . . . 8 18863 3 64 2 66.550 . . . . . . . . . . . . 8 18863 3 64 3 117.822 . . . . . . . . . . . . 8 18863 3 65 1 7.789 . . . . . . . . . . . . 8 18863 3 65 2 59.459 . . . . . . . . . . . . 8 18863 3 65 3 117.832 . . . . . . . . . . . . 8 18863 3 66 1 7.777 . . . . . . . . . . . . 8 18863 3 66 2 57.036 . . . . . . . . . . . . 8 18863 3 66 3 117.762 . . . . . . . . . . . . 8 18863 3 67 1 7.894 . . . . . . . . . . . . 8 18863 3 67 2 56.415 . . . . . . . . . . . . 8 18863 3 67 3 117.511 . . . . . . . . . . . . 8 18863 3 68 1 7.674 . . . . . . . . . . . . 8 18863 3 68 2 47.328 . . . . . . . . . . . . 8 18863 3 68 3 117.304 . . . . . . . . . . . . 8 18863 3 69 1 7.725 . . . . . . . . . . . . 8 18863 3 69 2 53.928 . . . . . . . . . . . . 8 18863 3 69 3 117.414 . . . . . . . . . . . . 8 18863 3 70 1 7.745 . . . . . . . . . . . . 8 18863 3 70 2 59.087 . . . . . . . . . . . . 8 18863 3 70 3 117.157 . . . . . . . . . . . . 8 18863 3 71 1 7.931 . . . . . . . . . . . . 8 18863 3 71 2 66.670 . . . . . . . . . . . . 8 18863 3 71 3 116.924 . . . . . . . . . . . . 8 18863 3 72 1 7.944 . . . . . . . . . . . . 8 18863 3 72 2 61.666 . . . . . . . . . . . . 8 18863 3 72 3 116.851 . . . . . . . . . . . . 8 18863 3 73 1 7.982 . . . . . . . . . . . . 8 18863 3 73 2 61.733 . . . . . . . . . . . . 8 18863 3 73 3 116.726 . . . . . . . . . . . . 8 18863 3 74 1 7.886 . . . . . . . . . . . . 8 18863 3 74 2 66.607 . . . . . . . . . . . . 8 18863 3 74 3 116.717 . . . . . . . . . . . . 8 18863 3 75 1 7.881 . . . . . . . . . . . . 8 18863 3 75 2 56.110 . . . . . . . . . . . . 8 18863 3 75 3 116.662 . . . . . . . . . . . . 8 18863 3 76 1 8.392 . . . . . . . . . . . . 8 18863 3 76 2 56.892 . . . . . . . . . . . . 8 18863 3 76 3 116.093 . . . . . . . . . . . . 8 18863 3 77 1 7.061 . . . . . . . . . . . . 8 18863 3 77 2 67.696 . . . . . . . . . . . . 8 18863 3 77 3 116.076 . . . . . . . . . . . . 8 18863 3 78 1 8.159 . . . . . . . . . . . . 8 18863 3 78 2 56.697 . . . . . . . . . . . . 8 18863 3 78 3 115.915 . . . . . . . . . . . . 8 18863 3 79 1 8.119 . . . . . . . . . . . . 8 18863 3 79 2 46.178 . . . . . . . . . . . . 8 18863 3 79 3 115.292 . . . . . . . . . . . . 8 18863 3 80 1 8.154 . . . . . . . . . . . . 8 18863 3 80 2 59.896 . . . . . . . . . . . . 8 18863 3 80 3 114.829 . . . . . . . . . . . . 8 18863 3 81 1 7.574 . . . . . . . . . . . . 8 18863 3 81 2 53.250 . . . . . . . . . . . . 8 18863 3 81 3 113.998 . . . . . . . . . . . . 8 18863 3 82 1 8.601 . . . . . . . . . . . . 8 18863 3 82 2 60.602 . . . . . . . . . . . . 8 18863 3 82 3 110.403 . . . . . . . . . . . . 8 18863 3 83 1 7.520 . . . . . . . . . . . . 8 18863 3 83 2 65.544 . . . . . . . . . . . . 8 18863 3 83 3 108.423 . . . . . . . . . . . . 8 18863 3 84 1 6.743 . . . . . . . . . . . . 8 18863 3 84 2 65.558 . . . . . . . . . . . . 8 18863 3 84 3 108.346 . . . . . . . . . . . . 8 18863 3 85 1 8.633 . . . . . . . . . . . . 8 18863 3 85 2 57.059 . . . . . . . . . . . . 8 18863 3 85 3 107.512 . . . . . . . . . . . . 8 18863 3 86 1 8.056 . . . . . . . . . . . . 8 18863 3 86 2 56.532 . . . . . . . . . . . . 8 18863 3 86 3 107.314 . . . . . . . . . . . . 8 18863 3 87 1 7.926 . . . . . . . . . . . . 8 18863 3 87 2 61.349 . . . . . . . . . . . . 8 18863 3 87 3 106.528 . . . . . . . . . . . . 8 18863 3 88 1 8.026 . . . . . . . . . . . . 8 18863 3 88 2 61.275 . . . . . . . . . . . . 8 18863 3 88 3 106.107 . . . . . . . . . . . . 8 18863 3 89 1 8.223 . . . . . . . . . . . . 8 18863 3 89 2 66.802 . . . . . . . . . . . . 8 18863 3 89 3 105.487 . . . . . . . . . . . . 8 18863 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 . . 8.339 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 3 1 3 1 . . 124.999 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 3 2 1 1 . . 7.934 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 3 2 3 1 . . 123.901 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 3 3 1 1 . . 8.306 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 3 3 3 1 . . 123.687 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 3 4 1 1 . . 8.538 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 3 4 3 1 . . 123.507 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 3 5 1 1 . . 8.240 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 3 5 3 1 . . 123.081 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 3 6 1 1 . . 8.122 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 3 6 3 1 . . 123.064 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 3 7 1 1 . . 8.315 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 3 7 3 1 . . 122.870 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 3 8 1 1 . . 8.001 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 3 8 3 1 . . 122.687 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 3 9 1 1 . . 8.161 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 3 9 3 1 . . 122.652 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 3 10 1 1 . . 8.106 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 3 10 3 1 . . 122.639 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 3 11 1 1 . . 8.106 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 3 11 3 1 . . 122.577 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 3 12 1 1 . . 8.095 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 3 13 1 1 . . 8.021 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 3 13 3 1 . . 122.376 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 3 14 1 1 . . 7.819 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 3 14 3 1 . . 122.391 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 3 15 1 1 . . 7.909 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 3 15 3 1 . . 121.738 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 3 16 1 1 . . 8.160 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 3 16 3 1 . . 121.548 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 3 17 1 1 . . 7.858 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 3 17 3 1 . . 121.562 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 3 18 1 1 . . 8.539 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 3 18 3 1 . . 121.486 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 3 19 1 1 . . 8.273 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 3 19 3 1 . . 121.257 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 3 20 1 1 . . 8.155 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 3 20 3 1 . . 121.112 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 3 22 1 1 . . 7.955 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 3 22 3 1 . . 120.990 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 3 23 1 1 . . 8.302 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 3 23 3 1 . . 120.973 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 3 24 1 1 . . 8.581 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 3 24 3 1 . . 120.933 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 3 25 1 1 . . 8.797 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 3 25 3 1 . . 120.750 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 3 26 1 2 . . 8.053 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 3 26 3 2 . . 120.609 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 3 27 1 1 . . 8.081 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 3 27 3 1 . . 120.526 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 3 28 1 1 . . 8.392 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 3 28 3 1 . . 120.582 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 3 29 1 1 . . 8.205 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 3 29 3 1 . . 120.604 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 3 30 1 1 . . 8.227 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 3 30 3 1 . . 120.494 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 3 31 1 1 . . 8.248 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 3 31 3 1 . . 120.513 . . 1 . 1 1 10 ALA N . . . . . . . . . . 58 . 18863 3 32 1 1 . . 8.344 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 3 32 3 1 . . 120.465 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 3 33 1 1 . . 8.504 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 3 33 3 1 . . 120.407 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 3 34 1 1 . . 8.309 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 3 34 3 1 . . 120.457 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 3 35 1 1 . . 8.285 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 3 35 3 1 . . 120.448 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 3 36 1 1 . . 8.291 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 3 36 3 1 . . 120.414 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 3 37 1 1 . . 8.287 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 3 37 3 1 . . 120.328 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 3 38 1 1 . . 8.024 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 3 38 3 1 . . 120.265 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 3 39 1 1 . . 7.780 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 3 39 3 1 . . 120.293 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 3 40 1 1 . . 7.874 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 3 40 3 1 . . 120.220 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 3 41 1 1 . . 8.193 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 3 41 3 1 . . 120.307 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 3 42 1 1 . . 8.181 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 3 42 3 1 . . 120.098 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 3 43 1 1 . . 8.532 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 3 43 3 1 . . 120.012 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 3 44 1 1 . . 7.707 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 3 44 3 1 . . 119.778 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 3 45 1 1 . . 7.645 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 3 45 3 1 . . 119.943 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 3 46 1 1 . . 7.632 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 3 46 3 1 . . 119.809 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 3 47 1 1 . . 7.818 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 3 47 3 1 . . 119.714 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 3 48 1 1 . . 8.083 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 3 48 3 1 . . 119.676 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 3 49 1 1 . . 8.231 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 3 49 3 1 . . 119.676 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 3 50 1 1 . . 8.469 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 3 50 3 1 . . 119.629 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 3 51 1 1 . . 8.188 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 3 51 3 1 . . 119.567 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 3 52 1 1 . . 8.180 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 3 52 3 1 . . 119.472 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 3 53 1 1 . . 8.079 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 3 53 3 1 . . 119.477 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 3 54 1 1 . . 7.961 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 3 54 3 1 . . 119.511 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 3 55 1 1 . . 7.513 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 3 55 3 1 . . 119.409 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 3 56 1 1 . . 7.615 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 3 56 3 1 . . 119.271 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 3 57 1 1 . . 7.640 . . 1 . 1 1 76 LEU H . . . . . . . . . . 97 . 18863 3 57 3 1 . . 119.094 . . 1 . 1 1 76 LEU N . . . . . . . . . . 98 . 18863 3 58 1 1 . . 8.021 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 3 58 3 1 . . 118.735 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 3 59 1 1 . . 8.389 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 3 59 3 1 . . 118.582 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 3 60 1 1 . . 7.487 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 3 60 3 1 . . 118.244 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 3 61 1 1 . . 8.396 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 3 61 3 1 . . 117.987 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 3 62 1 1 . . 7.584 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 3 62 3 1 . . 117.958 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 3 63 1 1 . . 7.970 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 3 63 3 1 . . 117.820 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 3 64 1 1 . . 7.697 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 3 64 3 1 . . 117.822 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 3 65 1 1 . . 7.789 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 3 65 3 1 . . 117.832 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 3 66 1 1 . . 7.777 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 3 66 3 1 . . 117.762 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 3 67 1 1 . . 7.894 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 3 67 3 1 . . 117.511 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 3 68 1 1 . . 7.674 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 3 68 3 1 . . 117.304 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 3 69 1 1 . . 7.725 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 3 70 1 1 . . 7.745 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 3 70 2 1 . . 59.087 . . 1 . 1 1 73 LEU CA . . . . . . . . . . 586 . 18863 3 70 3 1 . . 117.157 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 3 71 1 1 . . 7.931 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 3 71 3 1 . . 116.924 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 3 72 1 1 . . 7.944 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 3 72 3 1 . . 116.851 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 3 73 1 1 . . 7.982 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 3 73 3 1 . . 116.726 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 3 74 1 1 . . 7.886 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 3 74 3 1 . . 116.717 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 3 75 1 1 . . 7.881 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 3 75 3 1 . . 116.662 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 3 76 1 1 . . 8.392 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 3 76 3 1 . . 116.093 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 3 77 1 1 . . 7.061 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 3 77 3 1 . . 116.076 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 3 78 1 1 . . 8.159 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 3 78 3 1 . . 115.915 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 3 79 1 1 . . 8.119 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 3 79 3 1 . . 115.292 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 3 80 1 1 . . 8.154 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 3 80 3 1 . . 114.829 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 3 81 1 1 . . 7.574 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 3 81 3 1 . . 113.998 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 3 82 1 1 . . 8.601 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 3 82 3 1 . . 110.403 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 3 83 1 1 . . 7.520 . . 1 . 1 1 23 ASN HD21 . . . . . . . . . . 151 . 18863 3 83 3 1 . . 108.423 . . 1 . 1 1 23 ASN ND2 . . . . . . . . . . 152 . 18863 3 84 1 1 . . 6.743 . . 1 . 1 1 23 ASN HD22 . . . . . . . . . . 153 . 18863 3 84 3 1 . . 108.346 . . 1 . . . . . . . . . . . . . . . . 154 . 18863 3 85 1 1 . . 8.633 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 3 85 3 1 . . 107.512 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 3 86 1 1 . . 8.056 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 3 86 3 1 . . 107.314 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 3 87 1 1 . . 7.926 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 3 87 3 1 . . 106.528 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 3 88 1 1 . . 8.026 . . 1 . . . . . . . . . . . . . . . . 161 . 18863 3 88 3 1 . . 106.107 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 3 89 1 1 . . 8.223 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 3 89 3 1 . . 105.487 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 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 18863 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCACB' _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 . . 3749.812 . . . . . . . 18863 4 2 . . C 13 13C . . 12500.000 . . . . . . . 18863 4 3 . . N 15 15N . . 2000.000 . . . . . . . 18863 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 4 2 1.0 . . 18863 4 3 1.0 . . 18863 4 4 1.0 . . 18863 4 5 1.0 . . 18863 4 6 1.0 . . 18863 4 7 1.0 . . 18863 4 8 1.0 . . 18863 4 9 1.0 . . 18863 4 10 1.0 . . 18863 4 11 1.0 . . 18863 4 12 1.0 . . 18863 4 13 1.0 . . 18863 4 14 1.0 . . 18863 4 15 1.0 . . 18863 4 16 1.0 . . 18863 4 17 1.0 . . 18863 4 18 1.0 . . 18863 4 19 1.0 . . 18863 4 20 1.0 . . 18863 4 21 1.0 . . 18863 4 22 1.0 . . 18863 4 23 1.0 . . 18863 4 24 1.0 . . 18863 4 25 1.0 . . 18863 4 26 1.0 . . 18863 4 27 1.0 . . 18863 4 28 1.0 . . 18863 4 29 1.0 . . 18863 4 30 1.0 . . 18863 4 31 1.0 . . 18863 4 32 1.0 . . 18863 4 33 1.0 . . 18863 4 34 1.0 . . 18863 4 35 1.0 . . 18863 4 36 1.0 . . 18863 4 37 1.0 . . 18863 4 38 1.0 . . 18863 4 39 1.0 . . 18863 4 40 1.0 . . 18863 4 41 1.0 . . 18863 4 42 1.0 . . 18863 4 43 1.0 . . 18863 4 44 1.0 . . 18863 4 45 1.0 . . 18863 4 46 1.0 . . 18863 4 47 1.0 . . 18863 4 48 1.0 . . 18863 4 49 1.0 . . 18863 4 50 1.0 . . 18863 4 51 1.0 . . 18863 4 52 1.0 . . 18863 4 53 1.0 . . 18863 4 54 1.0 . . 18863 4 55 1.0 . . 18863 4 56 1.0 . . 18863 4 57 1.0 . . 18863 4 58 1.0 . . 18863 4 59 1.0 . . 18863 4 60 1.0 . . 18863 4 61 1.0 . . 18863 4 62 1.0 . . 18863 4 63 1.0 . . 18863 4 64 1.0 . . 18863 4 65 1.0 . . 18863 4 66 1.0 . . 18863 4 67 1.0 . . 18863 4 68 1.0 . . 18863 4 69 1.0 . . 18863 4 70 1.0 . . 18863 4 71 1.0 . . 18863 4 72 1.0 . . 18863 4 73 1.0 . . 18863 4 74 1.0 . . 18863 4 75 1.0 . . 18863 4 76 1.0 . . 18863 4 77 1.0 . . 18863 4 78 1.0 . . 18863 4 79 1.0 . . 18863 4 80 1.0 . . 18863 4 81 1.0 . . 18863 4 82 1.0 . . 18863 4 83 1.0 . . 18863 4 84 1.0 . . 18863 4 85 1.0 . . 18863 4 86 1.0 . . 18863 4 87 1.0 . . 18863 4 88 1.0 . . 18863 4 89 1.0 . . 18863 4 90 1.0 . . 18863 4 91 1.0 . . 18863 4 92 1.0 . . 18863 4 93 1.0 . . 18863 4 94 1.0 . . 18863 4 95 1.0 . . 18863 4 96 1.0 . . 18863 4 97 1.0 . . 18863 4 98 1.0 . . 18863 4 99 1.0 . . 18863 4 100 1.0 . . 18863 4 101 1.0 . . 18863 4 102 1.0 . . 18863 4 103 1.0 . . 18863 4 104 1.0 . . 18863 4 105 1.0 . . 18863 4 106 1.0 . . 18863 4 107 1.0 . . 18863 4 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 93122.8984375 . height 18863 4 1 1169883.4599000 . volume 18863 4 2 84133.6718750 . height 18863 4 2 913364.5957030 . volume 18863 4 3 100480.1718750 . height 18863 4 3 1331045.6503900 . volume 18863 4 4 432958.6250000 . height 18863 4 4 6066695.9023400 . volume 18863 4 5 147144.5781250 . height 18863 4 5 1805439.5996100 . volume 18863 4 6 87653.5078125 . height 18863 4 6 992808.3721920 . volume 18863 4 7 116516.5312500 . height 18863 4 7 1905445.5390600 . volume 18863 4 8 91464.6250000 . height 18863 4 8 947860.9458010 . volume 18863 4 9 99333.1640625 . height 18863 4 9 965612.7076420 . volume 18863 4 10 80747.6171875 . height 18863 4 10 891140.3549800 . volume 18863 4 11 106851.0781250 . height 18863 4 11 1767046.5937500 . volume 18863 4 12 223838.5625000 . height 18863 4 12 3015976.8164100 . volume 18863 4 13 483628.6562500 . height 18863 4 13 6799319.0625000 . volume 18863 4 14 175382.3750000 . height 18863 4 14 2539252.5527300 . volume 18863 4 15 406276.9062500 . height 18863 4 15 6499893.6640600 . volume 18863 4 16 144239.4218750 . height 18863 4 16 2366132.3505900 . volume 18863 4 17 84096.8671875 . height 18863 4 17 1008231.3968500 . volume 18863 4 18 88600.5234375 . height 18863 4 18 1110561.9194300 . volume 18863 4 19 128731.7343750 . height 18863 4 19 2033330.9804700 . volume 18863 4 20 125309.5625000 . height 18863 4 20 1932075.1660200 . volume 18863 4 21 281793.0000000 . height 18863 4 21 3811900.1250000 . volume 18863 4 22 114141.0390620 . height 18863 4 22 1681260.0388200 . volume 18863 4 23 763018.3125000 . height 18863 4 23 10547612.6562000 . volume 18863 4 24 269313.6250000 . height 18863 4 24 3632019.6503900 . volume 18863 4 25 137391.2656250 . height 18863 4 25 2172472.3925800 . volume 18863 4 26 527632.3125000 . height 18863 4 26 6892212.3945300 . volume 18863 4 27 230291.9687500 . height 18863 4 27 3416241.5429700 . volume 18863 4 28 199770.6250000 . height 18863 4 28 2887242.0078100 . volume 18863 4 29 225562.8750000 . height 18863 4 29 4091605.7500000 . volume 18863 4 30 227699.5312500 . height 18863 4 30 3212048.3671900 . volume 18863 4 31 162610.7968750 . height 18863 4 31 2607895.7519500 . volume 18863 4 32 173800.8125000 . height 18863 4 32 2562656.1198700 . volume 18863 4 33 89779.7812500 . height 18863 4 33 1229000.7119100 . volume 18863 4 34 186202.6406250 . height 18863 4 34 2918462.2558600 . volume 18863 4 35 135488.3906250 . height 18863 4 35 2433161.1914100 . volume 18863 4 36 128661.7656250 . height 18863 4 36 1639405.7500000 . volume 18863 4 37 245814.4375000 . height 18863 4 37 3578814.6992200 . volume 18863 4 38 97224.7968750 . height 18863 4 38 1642220.5610400 . volume 18863 4 39 208731.1406250 . height 18863 4 39 3349120.3125000 . volume 18863 4 40 101602.9375000 . height 18863 4 40 1653916.6474600 . volume 18863 4 41 134155.5156250 . height 18863 4 41 1818605.8864700 . volume 18863 4 42 163668.3750000 . height 18863 4 42 2422370.0061000 . volume 18863 4 43 118428.1796880 . height 18863 4 43 1905223.0546900 . volume 18863 4 44 85251.2656250 . height 18863 4 44 1182905.0688500 . volume 18863 4 45 233566.4375000 . height 18863 4 45 2842059.9284700 . volume 18863 4 46 83106.4453125 . height 18863 4 46 970759.3255460 . volume 18863 4 47 185402.3281250 . height 18863 4 47 2676783.7265600 . volume 18863 4 48 115261.2734380 . height 18863 4 48 1829152.3222700 . volume 18863 4 49 585849.8125000 . height 18863 4 49 8273243.1796900 . volume 18863 4 50 1717049.2500000 . height 18863 4 50 23800277.1250000 . volume 18863 4 51 1481024.5000000 . height 18863 4 51 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18863 4 107 275585.7699890 . volume 18863 4 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 10.146 . . . . . . . . . . . . 8 18863 4 1 2 53.176 . . . . . . . . . . . . 8 18863 4 1 3 128.611 . . . . . . . . . . . . 8 18863 4 2 1 9.748 . . . . . . . . . . . . 8 18863 4 2 2 47.573 . . . . . . . . . . . . 8 18863 4 2 3 128.255 . . . . . . . . . . . . 8 18863 4 3 1 8.334 . . . . . . . . . . . . 8 18863 4 3 2 19.276 . . . . . . . . . . . . 8 18863 4 3 3 124.993 . . . . . . . . . . . . 8 18863 4 4 1 7.935 . . . . . . . . . . . . 8 18863 4 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18863 4 19 1 8.005 . . . . . . . . . . . . 8 18863 4 19 2 20.224 . . . . . . . . . . . . 8 18863 4 19 3 122.336 . . . . . . . . . . . . 8 18863 4 20 1 8.027 . . . . . . . . . . . . 8 18863 4 20 2 19.321 . . . . . . . . . . . . 8 18863 4 20 3 122.368 . . . . . . . . . . . . 8 18863 4 21 1 7.822 . . . . . . . . . . . . 8 18863 4 21 2 18.888 . . . . . . . . . . . . 8 18863 4 21 3 122.504 . . . . . . . . . . . . 8 18863 4 22 1 7.822 . . . . . . . . . . . . 8 18863 4 22 2 44.393 . . . . . . . . . . . . 8 18863 4 22 3 122.381 . . . . . . . . . . . . 8 18863 4 23 1 7.912 . . . . . . . . . . . . 8 18863 4 23 2 19.888 . . . . . . . . . . . . 8 18863 4 23 3 121.850 . . . . . . . . . . . . 8 18863 4 24 1 7.914 . . . . . . . . . . . . 8 18863 4 24 2 39.857 . . . . . . . . . . . . 8 18863 4 24 3 121.787 . . . . . . . . . . . . 8 18863 4 25 1 7.855 . . . . . . . . . . . . 8 18863 4 25 2 39.614 . . . . . . . . . . . . 8 18863 4 25 3 121.529 . . . . . . . . . . . . 8 18863 4 26 1 7.854 . . . . . . . . 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18863 4 48 1 8.294 . . . . . . . . . . . . 8 18863 4 48 2 33.320 . . . . . . . . . . . . 8 18863 4 48 3 120.350 . . . . . . . . . . . . 8 18863 4 49 1 8.031 . . . . . . . . . . . . 8 18863 4 49 2 19.723 . . . . . . . . . . . . 8 18863 4 49 3 120.270 . . . . . . . . . . . . 8 18863 4 50 1 7.787 . . . . . . . . . . . . 8 18863 4 50 2 20.189 . . . . . . . . . . . . 8 18863 4 50 3 120.322 . . . . . . . . . . . . 8 18863 4 51 1 7.878 . . . . . . . . . . . . 8 18863 4 51 2 19.924 . . . . . . . . . . . . 8 18863 4 51 3 120.284 . . . . . . . . . . . . 8 18863 4 52 1 8.195 . . . . . . . . . . . . 8 18863 4 52 2 44.168 . . . . . . . . . . . . 8 18863 4 52 3 120.134 . . . . . . . . . . . . 8 18863 4 53 1 8.195 . . . . . . . . . . . . 8 18863 4 53 2 33.670 . . . . . . . . . . . . 8 18863 4 53 3 120.119 . . . . . . . . . . . . 8 18863 4 54 1 8.538 . . . . . . . . . . . . 8 18863 4 54 2 38.926 . . . . . . . . . . . . 8 18863 4 54 3 120.072 . . . . . . . . . . . . 8 18863 4 55 1 7.717 . . . . . . . . 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18863 4 77 1 7.986 . . . . . . . . . . . . 8 18863 4 77 2 20.302 . . . . . . . . . . . . 8 18863 4 77 3 117.996 . . . . . . . . . . . . 8 18863 4 78 1 7.964 . . . . . . . . . . . . 8 18863 4 78 2 39.993 . . . . . . . . . . . . 8 18863 4 78 3 117.857 . . . . . . . . . . . . 8 18863 4 79 1 7.965 . . . . . . . . . . . . 8 18863 4 79 2 19.921 . . . . . . . . . . . . 8 18863 4 79 3 117.822 . . . . . . . . . . . . 8 18863 4 80 1 7.666 . . . . . . . . . . . . 8 18863 4 80 2 49.474 . . . . . . . . . . . . 8 18863 4 80 3 118.050 . . . . . . . . . . . . 8 18863 4 81 1 7.794 . . . . . . . . . . . . 8 18863 4 81 2 43.130 . . . . . . . . . . . . 8 18863 4 81 3 117.705 . . . . . . . . . . . . 8 18863 4 82 1 7.786 . . . . . . . . . . . . 8 18863 4 82 2 34.238 . . . . . . . . . . . . 8 18863 4 82 3 117.812 . . . . . . . . . . . . 8 18863 4 83 1 7.776 . . . . . . . . . . . . 8 18863 4 83 2 19.789 . . . . . . . . . . . . 8 18863 4 83 3 117.695 . . . . . . . . . . . . 8 18863 4 84 1 7.792 . . . . . . . . . . . . 8 18863 4 84 2 21.024 . . . . . . . . . . . . 8 18863 4 84 3 117.610 . . . . . . . . . . . . 8 18863 4 85 1 7.889 . . . . . . . . . . . . 8 18863 4 85 2 39.779 . . . . . . . . . . . . 8 18863 4 85 3 117.498 . . . . . . . . . . . . 8 18863 4 86 1 7.890 . . . . . . . . . . . . 8 18863 4 86 2 19.807 . . . . . . . . . . . . 8 18863 4 86 3 117.494 . . . . . . . . . . . . 8 18863 4 87 1 7.681 . . . . . . . . . . . . 8 18863 4 87 2 34.051 . . . . . . . . . . . . 8 18863 4 87 3 117.312 . . . . . . . . . . . . 8 18863 4 88 1 7.744 . . . . . . . . . . . . 8 18863 4 88 2 43.742 . . . . . . . . . . . . 8 18863 4 88 3 117.200 . . . . . . . . . . . . 8 18863 4 89 1 7.903 . . . . . . . . . . . . 8 18863 4 89 2 51.166 . . . . . . . . . . . . 8 18863 4 89 3 116.950 . . . . . . . . . . . . 8 18863 4 90 1 7.950 . . . . . . . . . . . . 8 18863 4 90 2 33.018 . . . . . . . . . . . . 8 18863 4 90 3 116.969 . . . . . . . . . . . . 8 18863 4 91 1 7.947 . . . . . . . . . . . . 8 18863 4 91 2 29.324 . . . . . . . . . . . . 8 18863 4 91 3 116.982 . . . . . . . . . . . . 8 18863 4 92 1 7.979 . . . . . . . . . . . . 8 18863 4 92 2 40.328 . . . . . . . . . . . . 8 18863 4 92 3 116.809 . . . . . . . . . . . . 8 18863 4 93 1 7.880 . . . . . . . . . . . . 8 18863 4 93 2 40.911 . . . . . . . . . . . . 8 18863 4 93 3 116.638 . . . . . . . . . . . . 8 18863 4 94 1 7.879 . . . . . . . . . . . . 8 18863 4 94 2 19.526 . . . . . . . . . . . . 8 18863 4 94 3 116.585 . . . . . . . . . . . . 8 18863 4 95 1 8.395 . . . . . . . . . . . . 8 18863 4 95 2 29.699 . . . . . . . . . . . . 8 18863 4 95 3 116.128 . . . . . . . . . . . . 8 18863 4 96 1 8.371 . . . . . . . . . . . . 8 18863 4 96 2 32.094 . . . . . . . . . . . . 8 18863 4 96 3 115.930 . . . . . . . . . . . . 8 18863 4 97 1 7.075 . . . . . . . . . . . . 8 18863 4 97 2 43.197 . . . . . . . . . . . . 8 18863 4 97 3 116.132 . . . . . . . . . . . . 8 18863 4 98 1 7.074 . . . . . . . . . . . . 8 18863 4 98 2 32.592 . . . . . . . . . . . . 8 18863 4 98 3 116.086 . . . . . . . . . . . . 8 18863 4 99 1 8.129 . . . . . . . . . . . . 8 18863 4 99 2 65.126 . . . . . . . . . . . . 8 18863 4 99 3 115.353 . . . . . . . . . . . . 8 18863 4 100 1 7.588 . . . . . . . . . . . . 8 18863 4 100 2 65.833 . . . . . . . . . . . . 8 18863 4 100 3 114.047 . . . . . . . . . . . . 8 18863 4 101 1 7.588 . . . . . . . . . . . . 8 18863 4 101 2 20.456 . . . . . . . . . . . . 8 18863 4 101 3 114.055 . . . . . . . . . . . . 8 18863 4 102 1 6.746 . . . . . . . . . . . . 8 18863 4 102 2 58.455 . . . . . . . . . . . . 8 18863 4 102 3 108.433 . . . . . . . . . . . . 8 18863 4 103 1 8.066 . . . . . . . . . . . . 8 18863 4 103 2 43.924 . . . . . . . . . . . . 8 18863 4 103 3 107.339 . . . . . . . . . . . . 8 18863 4 104 1 7.925 . . . . . . . . . . . . 8 18863 4 104 2 40.045 . . . . . . . . . . . . 8 18863 4 104 3 106.583 . . . . . . . . . . . . 8 18863 4 105 1 7.940 . . . . . . . . . . . . 8 18863 4 105 2 39.128 . . . . . . . . . . . . 8 18863 4 105 3 106.498 . . . . . . . . . . . . 8 18863 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 . . 10.146 . . 1 . 1 1 67 TRP HE1 . . . . . . . . . . 1 . 18863 4 1 3 1 . . 128.611 . . 1 . 1 1 67 TRP NE1 . . . . . . . . . . 2 . 18863 4 2 1 1 . . 9.748 . . 1 . 1 1 49 TRP HE1 . . . . . . . . . . 3 . 18863 4 2 3 1 . . 128.255 . . 1 . 1 1 49 TRP NE1 . . . . . . . . . . 4 . 18863 4 3 1 1 . . 8.334 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 4 3 3 1 . . 124.993 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 4 4 1 1 . . 7.935 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 4 4 3 1 . . 123.928 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 4 5 1 1 . . 8.301 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 4 5 3 1 . . 123.728 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 4 6 1 1 . . 8.314 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 4 6 3 1 . . 123.779 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 4 7 1 1 . . 8.529 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 4 7 3 1 . . 123.508 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 4 8 1 1 . . 8.534 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 4 8 3 1 . . 123.411 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 4 9 1 1 . . 8.237 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 4 9 3 1 . . 123.012 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 4 10 1 1 . . 8.131 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 4 10 3 1 . . 123.151 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 4 11 1 1 . . 8.127 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 4 11 3 1 . . 123.140 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 4 12 1 1 . . 8.010 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 4 12 3 1 . . 122.750 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 4 13 1 1 . . 8.009 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 4 13 3 1 . . 122.720 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 4 14 1 1 . . 8.161 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 4 14 3 1 . . 122.703 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 4 15 1 1 . . 8.158 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 4 15 3 1 . . 122.641 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 4 16 1 1 . . 8.105 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 4 16 3 1 . . 122.690 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 4 17 1 1 . . 8.120 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 4 17 3 1 . . 122.519 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 4 18 1 1 . . 8.025 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 4 18 3 1 . . 122.298 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 4 19 1 1 . . 8.005 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 4 19 3 1 . . 122.336 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 4 20 1 1 . . 8.027 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 4 20 3 1 . . 122.368 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 4 21 1 1 . . 7.822 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 4 21 3 1 . . 122.504 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 4 22 1 1 . . 7.822 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 4 22 3 1 . . 122.381 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 4 23 1 1 . . 7.912 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 4 23 3 1 . . 121.850 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 4 24 1 1 . . 7.914 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 4 24 3 1 . . 121.787 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 4 25 1 1 . . 7.855 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 4 25 3 1 . . 121.529 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 4 26 1 1 . . 7.854 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 4 26 3 1 . . 121.594 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 4 27 1 1 . . 8.542 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 4 27 3 1 . . 121.517 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 4 28 1 1 . . 8.291 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 4 28 3 1 . . 121.326 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 4 29 1 1 . . 8.152 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 4 29 3 1 . . 121.239 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 4 30 1 1 . . 7.951 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 4 30 2 1 . . 43.422 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 600 . 18863 4 30 3 1 . . 121.028 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 4 31 1 1 . . 8.310 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 4 31 3 1 . . 121.038 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 4 32 1 1 . . 8.574 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 4 32 3 1 . . 120.998 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 4 33 1 1 . . 8.777 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 4 33 3 1 . . 120.889 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 4 34 1 1 . . 8.806 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 4 34 3 1 . . 120.794 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 4 35 1 1 . . 8.082 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 4 35 3 1 . . 120.577 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 4 36 1 2 . . 8.051 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 4 36 3 2 . . 120.660 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 4 37 1 1 . . 8.056 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 4 37 3 1 . . 120.664 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 4 38 1 1 . . 8.066 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 4 39 1 1 . . 8.397 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 4 39 3 1 . . 120.630 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 4 40 1 1 . . 8.203 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 4 40 3 1 . . 120.598 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 4 41 1 1 . . 8.242 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 4 41 3 1 . . 120.614 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 4 42 1 1 . . 8.199 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 4 42 3 1 . . 120.422 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 4 43 1 1 . . 8.351 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 4 43 3 1 . . 120.520 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 4 44 1 1 . . 8.339 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 4 44 3 1 . . 120.512 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 4 45 1 1 . . 8.511 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 4 45 3 1 . . 120.393 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 4 46 1 1 . . 8.509 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 4 46 3 1 . . 120.301 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 4 47 1 1 . . 8.285 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 4 47 3 1 . . 120.303 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 4 48 1 1 . . 8.294 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 4 48 3 1 . . 120.350 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 4 49 1 1 . . 8.031 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 4 49 3 1 . . 120.270 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 4 50 1 1 . . 7.787 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 4 50 3 1 . . 120.322 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 4 51 1 1 . . 7.878 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 4 51 3 1 . . 120.284 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 4 52 1 1 . . 8.195 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 4 52 3 1 . . 120.134 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 4 53 1 1 . . 8.195 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 4 53 3 1 . . 120.119 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 4 54 1 1 . . 8.538 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 4 54 3 1 . . 120.072 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 4 55 1 1 . . 7.717 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 4 55 3 1 . . 119.863 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 4 56 1 1 . . 7.627 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 4 56 3 1 . . 119.795 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 4 57 1 1 . . 7.629 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 4 57 3 1 . . 119.874 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 4 58 1 1 . . 7.820 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 4 58 2 1 . . 43.059 . . 1 . 1 1 70 LEU CB . . . . . . . . . . 592 . 18863 4 58 3 1 . . 119.695 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 4 59 1 1 . . 8.082 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 4 59 3 1 . . 119.811 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 4 60 1 1 . . 8.227 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 4 60 3 1 . . 119.669 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 4 61 1 1 . . 8.467 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 4 61 3 1 . . 119.652 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 4 62 1 1 . . 8.182 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 4 62 3 1 . . 119.496 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 4 63 1 1 . . 8.075 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 4 63 3 1 . . 119.410 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 4 64 1 1 . . 7.963 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 4 64 3 1 . . 119.608 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 4 65 1 1 . . 7.512 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 4 65 2 1 . . 43.339 . . 1 . 1 1 72 LEU CB . . . . . . . . . . 590 . 18863 4 65 3 1 . . 119.412 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 4 66 1 1 . . 7.634 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 4 66 3 1 . . 119.230 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 4 67 1 1 . . 7.620 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 4 67 3 1 . . 119.281 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 4 68 1 1 . . 7.636 . . 1 . 1 1 76 LEU H . . . . . . . . . . 97 . 18863 4 68 3 1 . . 119.113 . . 1 . 1 1 76 LEU N . . . . . . . . . . 98 . 18863 4 69 1 1 . . 8.039 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 4 69 3 1 . . 118.831 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 4 70 1 1 . . 8.026 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 4 70 3 1 . . 118.744 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 4 71 1 1 . . 8.028 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 4 71 3 1 . . 118.859 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 4 72 1 1 . . 8.390 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 4 72 3 1 . . 118.607 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 4 73 1 1 . . 7.486 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 4 73 3 1 . . 118.290 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 4 74 1 1 . . 8.399 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 4 74 3 1 . . 118.021 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 4 75 1 1 . . 7.829 . . 1 . 1 1 71 LEU H . . . . . . . . . . 109 . 18863 4 75 2 1 . . 42.991 . . 1 . 1 1 71 LEU CB . . . . . . . . . . 591 . 18863 4 75 3 1 . . 118.053 . . 1 . 1 1 71 LEU N . . . . . . . . . . 110 . 18863 4 76 1 1 . . 7.586 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 4 76 3 1 . . 117.998 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 4 77 1 1 . . 7.986 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 4 77 3 1 . . 117.996 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 4 78 1 1 . . 7.964 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 4 78 3 1 . . 117.857 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 4 79 1 1 . . 7.965 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 4 79 3 1 . . 117.822 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 4 80 3 1 . . 118.050 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 4 81 1 1 . . 7.794 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 4 81 3 1 . . 117.705 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 4 82 1 1 . . 7.786 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 4 82 3 1 . . 117.812 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 4 83 1 1 . . 7.776 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 4 83 3 1 . . 117.695 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 4 84 1 1 . . 7.792 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 4 84 3 1 . . 117.610 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 4 85 1 1 . . 7.889 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 4 85 3 1 . . 117.498 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 4 86 1 1 . . 7.890 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 4 86 3 1 . . 117.494 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 4 87 1 1 . . 7.681 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 4 87 3 1 . . 117.312 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 4 88 1 1 . . 7.744 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 4 88 2 1 . . 43.742 . . 1 . 1 1 74 LEU CB . . . . . . . . . . 593 . 18863 4 88 3 1 . . 117.200 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 4 89 1 1 . . 7.903 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 4 89 3 1 . . 116.950 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 4 90 1 1 . . 7.950 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 4 90 3 1 . . 116.969 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 4 91 1 1 . . 7.947 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 4 91 3 1 . . 116.982 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 4 92 1 1 . . 7.979 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 4 92 3 1 . . 116.809 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 4 93 1 1 . . 7.880 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 4 93 3 1 . . 116.638 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 4 94 1 1 . . 7.879 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 4 94 3 1 . . 116.585 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 4 95 1 1 . . 8.395 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 4 95 3 1 . . 116.128 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 4 96 1 1 . . 8.371 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 4 96 3 1 . . 115.930 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 4 97 1 1 . . 7.075 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 4 97 3 1 . . 116.132 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 4 98 1 1 . . 7.074 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 4 98 3 1 . . 116.086 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 4 99 1 1 . . 8.129 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 4 99 3 1 . . 115.353 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 4 100 1 1 . . 7.588 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 4 100 3 1 . . 114.047 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 4 101 1 1 . . 7.588 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 4 101 3 1 . . 114.055 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 4 102 1 1 . . 6.746 . . 1 . 1 1 23 ASN HD22 . . . . . . . . . . 153 . 18863 4 102 3 1 . . 108.433 . . 1 . . . . . . . . . . . . . . . . 154 . 18863 4 103 1 1 . . 8.066 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 4 103 3 1 . . 107.339 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 4 104 1 1 . . 7.925 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 4 104 3 1 . . 106.583 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 4 105 1 1 . . 7.940 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 4 105 3 1 . . 106.498 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 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 18863 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _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 . . 2505.818 . . . . . . . 18863 5 2 . . C 13 13C . . 7800.000 . . . . . . . 18863 5 3 . . N 15 15N . . 1400.021 . . . . . . . 18863 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 5 2 1.0 . . 18863 5 3 1.0 . . 18863 5 4 1.0 . . 18863 5 5 1.0 . . 18863 5 6 1.0 . . 18863 5 7 1.0 . . 18863 5 8 1.0 . . 18863 5 9 1.0 . . 18863 5 10 1.0 . . 18863 5 11 1.0 . . 18863 5 12 1.0 . . 18863 5 13 1.0 . . 18863 5 14 1.0 . . 18863 5 15 1.0 . . 18863 5 16 1.0 . . 18863 5 17 1.0 . . 18863 5 18 1.0 . . 18863 5 19 1.0 . . 18863 5 20 1.0 . . 18863 5 21 1.0 . . 18863 5 22 1.0 . . 18863 5 23 1.0 . . 18863 5 24 1.0 . . 18863 5 25 1.0 . . 18863 5 26 1.0 . . 18863 5 27 1.0 . . 18863 5 28 1.0 . . 18863 5 29 1.0 . . 18863 5 30 1.0 . . 18863 5 31 1.0 . . 18863 5 32 1.0 . . 18863 5 33 1.0 . . 18863 5 34 1.0 . . 18863 5 35 1.0 . . 18863 5 36 1.0 . . 18863 5 37 1.0 . . 18863 5 38 1.0 . . 18863 5 39 1.0 . . 18863 5 40 1.0 . . 18863 5 41 1.0 . . 18863 5 42 1.0 . . 18863 5 43 1.0 . . 18863 5 44 1.0 . . 18863 5 45 1.0 . . 18863 5 46 1.0 . . 18863 5 47 1.0 . . 18863 5 48 1.0 . . 18863 5 49 1.0 . . 18863 5 50 1.0 . . 18863 5 51 1.0 . . 18863 5 52 1.0 . . 18863 5 53 1.0 . . 18863 5 54 1.0 . . 18863 5 55 1.0 . . 18863 5 56 1.0 . . 18863 5 57 1.0 . . 18863 5 58 1.0 . . 18863 5 59 1.0 . . 18863 5 60 1.0 . . 18863 5 61 1.0 . . 18863 5 62 1.0 . . 18863 5 63 1.0 . . 18863 5 64 1.0 . . 18863 5 65 1.0 . . 18863 5 66 1.0 . . 18863 5 67 1.0 . . 18863 5 68 1.0 . . 18863 5 69 1.0 . . 18863 5 70 1.0 . . 18863 5 71 1.0 . . 18863 5 72 1.0 . . 18863 5 73 1.0 . . 18863 5 74 1.0 . . 18863 5 75 1.0 . . 18863 5 76 1.0 . . 18863 5 77 1.0 . . 18863 5 78 1.0 . . 18863 5 79 1.0 . . 18863 5 80 1.0 . . 18863 5 81 1.0 . . 18863 5 82 1.0 . . 18863 5 83 1.0 . . 18863 5 84 1.0 . . 18863 5 85 1.0 . . 18863 5 86 1.0 . . 18863 5 87 1.0 . . 18863 5 88 1.0 . . 18863 5 89 1.0 . . 18863 5 90 1.0 . . 18863 5 91 1.0 . . 18863 5 92 1.0 . . 18863 5 93 1.0 . . 18863 5 94 1.0 . . 18863 5 95 1.0 . . 18863 5 96 1.0 . . 18863 5 97 1.0 . . 18863 5 98 1.0 . . 18863 5 99 1.0 . . 18863 5 100 1.0 . . 18863 5 101 1.0 . . 18863 5 102 1.0 . . 18863 5 103 1.0 . . 18863 5 104 1.0 . . 18863 5 105 1.0 . . 18863 5 106 1.0 . . 18863 5 107 1.0 . . 18863 5 108 1.0 . . 18863 5 109 1.0 . . 18863 5 110 1.0 . . 18863 5 111 1.0 . . 18863 5 112 1.0 . . 18863 5 113 1.0 . . 18863 5 114 1.0 . . 18863 5 115 1.0 . . 18863 5 116 1.0 . . 18863 5 117 1.0 . . 18863 5 118 1.0 . . 18863 5 119 1.0 . . 18863 5 120 1.0 . . 18863 5 121 1.0 . . 18863 5 122 1.0 . . 18863 5 123 1.0 . . 18863 5 124 1.0 . . 18863 5 125 1.0 . . 18863 5 126 1.0 . . 18863 5 127 1.0 . . 18863 5 128 1.0 . . 18863 5 129 1.0 . . 18863 5 130 1.0 . . 18863 5 131 1.0 . . 18863 5 132 1.0 . . 18863 5 133 1.0 . . 18863 5 134 1.0 . . 18863 5 135 1.0 . . 18863 5 136 1.0 . . 18863 5 137 1.0 . . 18863 5 138 1.0 . . 18863 5 139 1.0 . . 18863 5 140 1.0 . . 18863 5 141 1.0 . . 18863 5 142 1.0 . . 18863 5 143 1.0 . . 18863 5 144 1.0 . . 18863 5 145 1.0 . . 18863 5 146 1.0 . . 18863 5 147 1.0 . . 18863 5 148 1.0 . . 18863 5 149 1.0 . . 18863 5 150 1.0 . . 18863 5 151 1.0 . . 18863 5 152 1.0 . . 18863 5 153 1.0 . . 18863 5 154 1.0 . . 18863 5 155 1.0 . . 18863 5 156 1.0 . . 18863 5 157 1.0 . . 18863 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 9196091.0000000 . height 18863 5 1 136155643.7500000 . volume 18863 5 2 22684558.0000000 . height 18863 5 2 325404271.5000000 . volume 18863 5 3 7155029.0000000 . height 18863 5 3 104688753.2500000 . volume 18863 5 4 2185223.5000000 . height 18863 5 4 25813313.8125000 . volume 18863 5 5 7141103.0000000 . height 18863 5 5 103146879.7500000 . volume 18863 5 6 5461775.5000000 . height 18863 5 6 75335164.7500000 . volume 18863 5 7 7333144.5000000 . height 18863 5 7 113489254.2500000 . volume 18863 5 8 6793965.5000000 . height 18863 5 8 97369729.3750000 . volume 18863 5 9 5103801.0000000 . height 18863 5 9 76053054.1250000 . volume 18863 5 10 2418486.0000000 . height 18863 5 10 34414106.1250000 . volume 18863 5 11 2775145.2500000 . height 18863 5 11 38225001.3750000 . volume 18863 5 12 18099220.0000000 . height 18863 5 12 249278946.0000000 . volume 18863 5 13 5818161.0000000 . height 18863 5 13 84708269.0000000 . volume 18863 5 14 15307216.0000000 . height 18863 5 14 228187052.2500000 . volume 18863 5 15 6359040.0000000 . height 18863 5 15 91801869.5000000 . volume 18863 5 16 9044866.0000000 . height 18863 5 16 118223784.5000000 . volume 18863 5 17 2003676.7500000 . height 18863 5 17 32310001.7812000 . volume 18863 5 18 3998624.5000000 . height 18863 5 18 60753758.5000000 . volume 18863 5 19 4032150.0000000 . height 18863 5 19 66102739.6250000 . volume 18863 5 20 6908267.5000000 . height 18863 5 20 112237454.3750000 . volume 18863 5 21 2536044.2500000 . height 18863 5 21 41685398.8750000 . volume 18863 5 22 3994521.7500000 . height 18863 5 22 66244487.5000000 . volume 18863 5 23 9494142.0000000 . height 18863 5 23 132210261.3750000 . volume 18863 5 24 4523386.5000000 . height 18863 5 24 57051205.3438000 . volume 18863 5 25 23387926.0000000 . height 18863 5 25 325383171.7500000 . volume 18863 5 26 14896139.0000000 . height 18863 5 26 217519564.0000000 . volume 18863 5 27 6655037.5000000 . height 18863 5 27 84202763.7500000 . volume 18863 5 28 4161556.2500000 . height 18863 5 28 75284774.5000000 . volume 18863 5 29 15999372.0000000 . height 18863 5 29 217850871.5000000 . volume 18863 5 30 8475110.0000000 . height 18863 5 30 115079040.6250000 . volume 18863 5 31 4291550.5000000 . height 18863 5 31 76351625.0000000 . volume 18863 5 32 3429058.7500000 . height 18863 5 32 54565292.0312000 . volume 18863 5 33 3721466.0000000 . height 18863 5 33 52815247.5000000 . volume 18863 5 34 6731234.0000000 . height 18863 5 34 85065714.0625000 . volume 18863 5 35 6796927.5000000 . height 18863 5 35 105058975.0000000 . volume 18863 5 36 5396232.0000000 . height 18863 5 36 66212905.0625000 . volume 18863 5 37 3921044.2500000 . height 18863 5 37 67277590.5000000 . volume 18863 5 38 6776825.0000000 . height 18863 5 38 101829084.5620000 . volume 18863 5 39 7680300.5000000 . height 18863 5 39 100883878.7500000 . volume 18863 5 40 2079986.8750000 . height 18863 5 40 22630086.2344000 . volume 18863 5 41 8901776.0000000 . height 18863 5 41 123382612.7500000 . volume 18863 5 42 4772817.0000000 . height 18863 5 42 65470349.4375000 . volume 18863 5 43 3269724.2500000 . height 18863 5 43 46217191.1963000 . volume 18863 5 44 5378834.0000000 . height 18863 5 44 73965574.8125000 . volume 18863 5 45 13212458.0000000 . height 18863 5 45 196660882.0000000 . volume 18863 5 46 3334665.2500000 . height 18863 5 46 44740404.7812000 . volume 18863 5 47 5438412.0000000 . height 18863 5 47 75961822.4531000 . volume 18863 5 48 3631235.2500000 . height 18863 5 48 56398150.0625000 . volume 18863 5 49 5439960.0000000 . height 18863 5 49 89544732.2500000 . volume 18863 5 50 2347125.5000000 . height 18863 5 50 39109176.1250000 . volume 18863 5 51 2163821.0000000 . height 18863 5 51 37016008.5000000 . volume 18863 5 52 7404011.0000000 . height 18863 5 52 96899337.0000000 . volume 18863 5 53 4423433.5000000 . height 18863 5 53 55902587.7188000 . volume 18863 5 54 6125122.5000000 . height 18863 5 54 87483381.6250000 . volume 18863 5 55 2919853.2500000 . height 18863 5 55 47753799.1875000 . volume 18863 5 56 1961428.6250000 . height 18863 5 56 30826500.9844000 . volume 18863 5 57 6361607.0000000 . height 18863 5 57 98747385.0000000 . volume 18863 5 58 2684098.2500000 . height 18863 5 58 31894536.6758000 . volume 18863 5 59 5581938.5000000 . height 18863 5 59 76684694.7500000 . volume 18863 5 60 5030246.5000000 . height 18863 5 60 80087830.0938000 . volume 18863 5 61 2927910.7500000 . height 18863 5 61 34361077.4062000 . volume 18863 5 62 3510300.7500000 . height 18863 5 62 50761969.6562000 . volume 18863 5 63 16004491.0000000 . height 18863 5 63 232096787.0000000 . volume 18863 5 64 2069144.5000000 . height 18863 5 64 20587781.0859000 . volume 18863 5 65 8717329.0000000 . height 18863 5 65 114680597.1250000 . volume 18863 5 66 26887816.0000000 . height 18863 5 66 380810140.5000000 . volume 18863 5 67 12921845.0000000 . height 18863 5 67 186816397.5000000 . volume 18863 5 68 26647502.0000000 . height 18863 5 68 372787227.0000000 . volume 18863 5 69 12350852.0000000 . height 18863 5 69 177313236.2500000 . volume 18863 5 70 5766384.0000000 . height 18863 5 70 82896884.3750000 . volume 18863 5 71 34004224.0000000 . height 18863 5 71 503244597.0000000 . volume 18863 5 72 15134894.0000000 . height 18863 5 72 224486445.0000000 . volume 18863 5 73 5567003.5000000 . height 18863 5 73 87676147.5000000 . volume 18863 5 74 4488486.0000000 . height 18863 5 74 67912162.0000000 . volume 18863 5 75 2362498.7500000 . height 18863 5 75 21122768.2656000 . volume 18863 5 76 24941404.0000000 . height 18863 5 76 383637059.5000000 . volume 18863 5 77 11348913.0000000 . height 18863 5 77 170951718.7500000 . volume 18863 5 78 2021601.7500000 . height 18863 5 78 32155963.8438000 . volume 18863 5 79 15281978.0000000 . height 18863 5 79 221905682.7500000 . volume 18863 5 80 7958657.0000000 . height 18863 5 80 114906530.7500000 . volume 18863 5 81 15452984.0000000 . height 18863 5 81 232021650.7500000 . volume 18863 5 82 8008468.0000000 . height 18863 5 82 127060967.6250000 . volume 18863 5 83 7323840.0000000 . height 18863 5 83 122118240.1250000 . volume 18863 5 84 2316907.7500000 . height 18863 5 84 40161672.9688000 . volume 18863 5 85 3406131.7500000 . height 18863 5 85 41923260.3438000 . volume 18863 5 86 5237706.0000000 . height 18863 5 86 77663623.5000000 . volume 18863 5 87 6168343.0000000 . height 18863 5 87 92606556.0000000 . volume 18863 5 88 3284228.7500000 . height 18863 5 88 46609210.1875000 . volume 18863 5 89 3907264.5000000 . height 18863 5 89 52904141.5000000 . volume 18863 5 90 8414898.0000000 . height 18863 5 90 118635211.6880000 . volume 18863 5 91 5622611.0000000 . height 18863 5 91 82458572.3750000 . volume 18863 5 92 7776474.5000000 . height 18863 5 92 128413501.3750000 . volume 18863 5 93 2741142.7500000 . height 18863 5 93 50527152.1875000 . volume 18863 5 94 17278276.0000000 . height 18863 5 94 244756323.0000000 . volume 18863 5 95 8093666.5000000 . height 18863 5 95 109498689.2500000 . volume 18863 5 96 2963364.7500000 . height 18863 5 96 47629350.5625000 . volume 18863 5 97 6307548.0000000 . height 18863 5 97 107239045.7500000 . volume 18863 5 98 19899030.0000000 . height 18863 5 98 296488292.2500000 . volume 18863 5 99 10249522.0000000 . height 18863 5 99 159346955.1250000 . volume 18863 5 100 7389925.0000000 . height 18863 5 100 117830781.0000000 . volume 18863 5 101 3791516.2500000 . height 18863 5 101 67032426.0625000 . volume 18863 5 102 6953065.0000000 . height 18863 5 102 93254534.3125000 . volume 18863 5 103 3496330.7500000 . height 18863 5 103 49022455.4062000 . volume 18863 5 104 19319020.0000000 . height 18863 5 104 325701739.5000000 . volume 18863 5 105 8493083.0000000 . height 18863 5 105 154919088.0000000 . volume 18863 5 106 9341215.0000000 . height 18863 5 106 130491337.3750000 . volume 18863 5 107 4799768.5000000 . height 18863 5 107 70394740.2812000 . volume 18863 5 108 3207127.2500000 . height 18863 5 108 44270318.5781000 . volume 18863 5 109 2199828.2500000 . height 18863 5 109 34137835.7031000 . volume 18863 5 110 5656806.0000000 . height 18863 5 110 86699888.0000000 . volume 18863 5 111 1970185.3750000 . height 18863 5 111 30640582.4648000 . volume 18863 5 112 18368974.0000000 . height 18863 5 112 274137830.0000000 . volume 18863 5 113 8326378.5000000 . height 18863 5 113 127550001.3750000 . volume 18863 5 114 9439990.0000000 . height 18863 5 114 140408222.2500000 . volume 18863 5 115 3857682.0000000 . height 18863 5 115 53739221.2500000 . volume 18863 5 116 2096661.7500000 . height 18863 5 116 36303724.5781000 . volume 18863 5 117 4122819.2500000 . height 18863 5 117 59320554.9766000 . volume 18863 5 118 6463723.0000000 . height 18863 5 118 98112074.0000000 . volume 18863 5 119 14843933.0000000 . height 18863 5 119 228835653.2500000 . volume 18863 5 120 8864836.0000000 . height 18863 5 120 116180209.5000000 . volume 18863 5 121 21878584.0000000 . height 18863 5 121 350356476.5000000 . volume 18863 5 122 12367182.0000000 . height 18863 5 122 191598288.2500000 . volume 18863 5 123 6281925.5000000 . height 18863 5 123 92633877.1875000 . volume 18863 5 124 10899117.0000000 . height 18863 5 124 170799242.5000000 . volume 18863 5 125 3330160.5000000 . height 18863 5 125 43403920.5605000 . volume 18863 5 126 14325580.0000000 . height 18863 5 126 219587052.7500000 . volume 18863 5 127 9206516.0000000 . height 18863 5 127 133902549.0000000 . volume 18863 5 128 17885100.0000000 . height 18863 5 128 266409302.2500000 . volume 18863 5 129 9286385.0000000 . height 18863 5 129 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91488245.5000000 . volume 18863 5 143 4184725.5000000 . height 18863 5 143 60750838.0625000 . volume 18863 5 144 2528719.0000000 . height 18863 5 144 31339849.3164000 . volume 18863 5 145 6038992.0000000 . height 18863 5 145 95629472.7500000 . volume 18863 5 146 3229984.7500000 . height 18863 5 146 44904659.4375000 . volume 18863 5 147 29126624.0000000 . height 18863 5 147 409413692.5000000 . volume 18863 5 148 17039946.0000000 . height 18863 5 148 232643520.0000000 . volume 18863 5 149 15018241.0000000 . height 18863 5 149 233966275.5000000 . volume 18863 5 150 6799784.0000000 . height 18863 5 150 103149250.0000000 . volume 18863 5 151 5287270.0000000 . height 18863 5 151 80735849.8125000 . volume 18863 5 152 3647201.2500000 . height 18863 5 152 57648145.8750000 . volume 18863 5 153 8641762.0000000 . height 18863 5 153 130151365.8750000 . volume 18863 5 154 2391643.0000000 . height 18863 5 154 33337407.6875000 . volume 18863 5 155 2760125.2500000 . height 18863 5 155 43792947.8125000 . volume 18863 5 156 2499703.2500000 . height 18863 5 156 41316033.1250000 . volume 18863 5 157 50021.6523438 . height 18863 5 157 -213372.6679690 . volume 18863 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 8.339 . . . . . . . . . . . . 8 18863 5 1 2 48.494 . . . . . . . . . . . . 8 18863 5 1 3 125.042 . . . . . . . . . . . . 8 18863 5 2 1 7.933 . . . . . . . . . . . . 8 18863 5 2 2 48.009 . . . . . . . . . . . . 8 18863 5 2 3 123.944 . . . . . . . . . . . . 8 18863 5 3 1 8.306 . . . . . . . . . . . . 8 18863 5 3 2 68.273 . . . . . . . . . . . . 8 18863 5 3 3 123.704 . . . . . . . . . . . . 8 18863 5 4 1 8.311 . . . . . . . . . . . . 8 18863 5 4 2 33.376 . . . . . . . . . . . . 8 18863 5 4 3 123.787 . . . . . . . . . . . . 8 18863 5 5 1 8.537 . . . . . . . . . . . . 8 18863 5 5 2 58.451 . . . . . . . . . . . . 8 18863 5 5 3 123.518 . . . . . . . . . . . . 8 18863 5 6 1 8.540 . . . . . . . . . . . . 8 18863 5 6 2 40.337 . . . . . . . . . . . . 8 18863 5 6 3 123.536 . . . . . . . . . . . . 8 18863 5 7 1 8.242 . . . . . . . . . . . . 8 18863 5 7 2 48.849 . . . . . . . . . . . . 8 18863 5 7 3 123.112 . . . . . . . . . . . . 8 18863 5 8 1 8.120 . . . . . . . . . . . . 8 18863 5 8 2 64.365 . . . . . . . . . . . . 8 18863 5 8 3 123.116 . . . . . . . . . . . . 8 18863 5 9 1 8.316 . . . . . . . . . . . . 8 18863 5 9 2 65.803 . . . . . . . . . . . . 8 18863 5 9 3 122.919 . . . . . . . . . . . . 8 18863 5 10 1 8.327 . . . . . . . . . . . . 8 18863 5 10 2 28.577 . . . . . . . . . . . . 8 18863 5 10 3 122.895 . . . . . . . . . . . . 8 18863 5 11 1 8.314 . . . . . . . . . . . . 8 18863 5 11 2 28.190 . . . . . . . . . . . . 8 18863 5 11 3 122.885 . . . . . . . . . . . . 8 18863 5 12 1 8.006 . . . . . . . . . . . . 8 18863 5 12 2 64.932 . . . . . . . . . . . . 8 18863 5 12 3 122.696 . . . . . . . . . . . . 8 18863 5 13 1 8.005 . . . . . . . . . . . . 8 18863 5 13 2 33.855 . . . . . . . . . . . . 8 18863 5 13 3 122.702 . . . . . . . . . . . . 8 18863 5 14 1 8.167 . . . . . . . . . . . . 8 18863 5 14 2 59.378 . . . . . . . . . . . . 8 18863 5 14 3 122.668 . . . . . . . . . . . . 8 18863 5 15 1 8.166 . . . . . . . . . . . . 8 18863 5 15 2 31.996 . . . . . . . . . . . . 8 18863 5 15 3 122.666 . . . . . . . . . . . . 8 18863 5 16 1 8.110 . . . . . . . . . . . . 8 18863 5 16 2 60.491 . . . . . . . . . . . . 8 18863 5 16 3 122.662 . . . . . . . . . . . . 8 18863 5 17 1 8.081 . . . . . . . . . . . . 8 18863 5 17 2 60.326 . . . . . . . . . . . . 8 18863 5 17 3 122.753 . . . . . . . . . . . . 8 18863 5 18 1 8.106 . . . . . . . . . . . . 8 18863 5 18 2 33.499 . . . . . . . . . . . . 8 18863 5 18 3 122.662 . . . . . . . . . . . . 8 18863 5 19 1 8.098 . . . . . . . . . . . . 8 18863 5 19 2 64.579 . . . . . . . . . . . . 8 18863 5 19 3 122.385 . . . . . . . . . . . . 8 18863 5 20 1 8.025 . . . . . . . . . . . . 8 18863 5 20 2 61.918 . . . . . . . . . . . . 8 18863 5 20 3 122.384 . . . . . . . . . . . . 8 18863 5 21 1 8.001 . . . . . . . . . . . . 8 18863 5 21 2 57.000 . . . . . . . . . . . . 8 18863 5 21 3 122.488 . . . . . . . . . . . . 8 18863 5 22 1 8.023 . . . . . . . . . . . . 8 18863 5 22 2 39.813 . . . . . . . . . . . . 8 18863 5 22 3 122.408 . . . . . . . . . . . . 8 18863 5 23 1 7.820 . . . . . . . . . . . . 8 18863 5 23 2 56.904 . . . . . . . . . . . . 8 18863 5 23 3 122.417 . . . . . . . . . . . . 8 18863 5 24 1 7.820 . . . . . . . . . . . . 8 18863 5 24 2 44.132 . . . . . . . . . . . . 8 18863 5 24 3 122.420 . . . . . . . . . . . . 8 18863 5 25 1 7.914 . . . . . . . . . . . . 8 18863 5 25 2 61.511 . . . . . . . . . . . . 8 18863 5 25 3 121.742 . . . . . . . . . . . . 8 18863 5 26 1 7.915 . . . . . . . . . . . . 8 18863 5 26 2 39.826 . . . . . . . . . . . . 8 18863 5 26 3 121.750 . . . . . . . . . . . . 8 18863 5 27 1 8.161 . . . . . . . . . . . . 8 18863 5 27 2 57.855 . . . . . . . . . . . . 8 18863 5 27 3 121.586 . . . . . . . . . . . . 8 18863 5 28 1 8.162 . . . . . . . . . . . . 8 18863 5 28 2 38.838 . . . . . . . . . . . . 8 18863 5 28 3 121.457 . . . . . . . . . . . . 8 18863 5 29 1 7.862 . . . . . . . . . . . . 8 18863 5 29 2 62.104 . . . . . . . . . . . . 8 18863 5 29 3 121.587 . . . . . . . . . . . . 8 18863 5 30 1 7.863 . . . . . . . . . . . . 8 18863 5 30 2 39.705 . . . . . . . . . . . . 8 18863 5 30 3 121.587 . . . . . . . . . . . . 8 18863 5 31 1 8.544 . . . . . . . . . . . . 8 18863 5 31 2 57.883 . . . . . . . . . . . . 8 18863 5 31 3 121.468 . . . . . . . . . . . . 8 18863 5 32 1 8.544 . . . . . . . . . . . . 8 18863 5 32 2 38.411 . . . . . . . . . . . . 8 18863 5 32 3 121.449 . . . . . . . . . . . . 8 18863 5 33 1 8.282 . . . . . . . . . . . . 8 18863 5 33 2 63.768 . . . . . . . . . . . . 8 18863 5 33 3 121.313 . . . . . . . . . . . . 8 18863 5 34 1 8.156 . . . . . . . . . . . . 8 18863 5 34 2 62.600 . . . . . . . . . . . . 8 18863 5 34 3 121.156 . . . . . . . . . . . . 8 18863 5 35 1 8.130 . . . . . . . . . . . . 8 18863 5 35 2 59.826 . . . . . . . . . . . . 8 18863 5 35 3 121.081 . . . . . . . . . . . . 8 18863 5 36 1 8.130 . . . . . . . . . . . . 8 18863 5 36 2 43.497 . . . . . . . . . . . . 8 18863 5 36 3 121.124 . . . . . . . . . . . . 8 18863 5 37 1 7.949 . . . . . . . . . . . . 8 18863 5 37 2 39.443 . . . . . . . . . . . . 8 18863 5 37 3 121.078 . . . . . . . . . . . . 8 18863 5 38 1 7.955 . . . . . . . . . . . . 8 18863 5 38 2 57.625 . . . . . . . . . . . . 8 18863 5 38 3 121.028 . . . . . . . . . . . . 8 18863 5 39 1 8.306 . . . . . . . . . . . . 8 18863 5 39 2 68.831 . . . . . . . . . . . . 8 18863 5 39 3 120.959 . . . . . . . . . . . . 8 18863 5 40 1 8.309 . . . . . . . . . . . . 8 18863 5 40 2 33.202 . . . . . . . . . . . . 8 18863 5 40 3 120.934 . . . . . . . . . . . . 8 18863 5 41 1 8.579 . . . . . . . . . . . . 8 18863 5 41 2 57.199 . . . . . . . . . . . . 8 18863 5 41 3 120.975 . . . . . . . . . . . . 8 18863 5 42 1 8.578 . . . . . . . . . . . . 8 18863 5 42 2 19.047 . . . . . . . . . . . . 8 18863 5 42 3 120.953 . . . . . . . . . . . . 8 18863 5 43 1 8.800 . . . . . . . . . . . . 8 18863 5 43 2 40.348 . . . . . . . . . . . . 8 18863 5 43 3 120.839 . . . . . . . . . . . . 8 18863 5 44 1 8.803 . . . . . . . . . . . . 8 18863 5 44 2 63.326 . . . . . . . . . . . . 8 18863 5 44 3 120.752 . . . . . . . . . . . . 8 18863 5 45 1 8.055 . . . . . . . . . . . . 8 18863 5 45 2 68.869 . . . . . . . . . . . . 8 18863 5 45 3 120.651 . . . . . . . . . . . . 8 18863 5 46 1 8.056 . . . . . . . . . . . . 8 18863 5 46 2 33.054 . . . . . . . . . . . . 8 18863 5 46 3 120.717 . . . . . . . . . . . . 8 18863 5 47 1 8.396 . . . . . . . . . . . . 8 18863 5 47 2 57.861 . . . . . . . . . . . . 8 18863 5 47 3 120.642 . . . . . . . . . . . . 8 18863 5 48 1 8.394 . . . . . . . . . . . . 8 18863 5 48 2 38.389 . . . . . . . . . . . . 8 18863 5 48 3 120.651 . . . . . . . . . . . . 8 18863 5 49 1 8.206 . . . . . . . . . . . . 8 18863 5 49 2 62.365 . . . . . . . . . . . . 8 18863 5 49 3 120.720 . . . . . . . . . . . . 8 18863 5 50 1 8.206 . . . . . . . . . . . . 8 18863 5 50 2 30.403 . . . . . . . . . . . . 8 18863 5 50 3 120.658 . . . . . . . . . . . . 8 18863 5 51 1 8.221 . . . . . . . . . . . . 8 18863 5 51 2 60.311 . . . . . . . . . . . . 8 18863 5 51 3 120.476 . . . . . . . . . . . . 8 18863 5 52 1 8.248 . . . . . . . . . . . . 8 18863 5 52 2 57.180 . . . . . . . . . . . . 8 18863 5 52 3 120.534 . . . . . . . . . . . . 8 18863 5 53 1 8.245 . . . . . . . . . . . . 8 18863 5 53 2 19.263 . . . . . . . . . . . . 8 18863 5 53 3 120.511 . . . . . . . . . . . . 8 18863 5 54 1 8.345 . . . . . . . . . . . . 8 18863 5 54 2 63.570 . . . . . . . . . . . . 8 18863 5 54 3 120.498 . . . . . . . . . . . . 8 18863 5 55 1 8.346 . . . . . . . . . . . . 8 18863 5 55 2 40.342 . . . . . . . . . . . . 8 18863 5 55 3 120.458 . . . . . . . . . . . . 8 18863 5 56 1 8.329 . . . . . . . . . . . . 8 18863 5 56 2 38.880 . . . . . . . . . . . . 8 18863 5 56 3 120.389 . . . . . . . . . . . . 8 18863 5 57 1 8.510 . . . . . . . . . . . . 8 18863 5 57 2 59.786 . . . . . . . . . . . . 8 18863 5 57 3 120.416 . . . . . . . . . . . . 8 18863 5 58 1 8.506 . . . . . . . . . . . . 8 18863 5 58 2 43.374 . . . . . . . . . . . . 8 18863 5 58 3 120.416 . . . . . . . . . . . . 8 18863 5 59 1 8.288 . . . . . . . . . . . . 8 18863 5 59 2 60.150 . . . . . . . . . . . . 8 18863 5 59 3 120.485 . . . . . . . . . . . . 8 18863 5 60 1 8.277 . . . . . . . . . . . . 8 18863 5 60 2 57.579 . . . . . . . . . . . . 8 18863 5 60 3 120.431 . . . . . . . . . . . . 8 18863 5 61 1 8.288 . . . . . . . . . . . . 8 18863 5 61 2 43.474 . . . . . . . . . . . . 8 18863 5 61 3 120.511 . . . . . . . . . . . . 8 18863 5 62 1 8.288 . . . . . . . . . . . . 8 18863 5 62 2 38.251 . . . . . . . . . . . . 8 18863 5 62 3 120.354 . . . . . . . . . . . . 8 18863 5 63 1 8.030 . . . . . . . . . . . . 8 18863 5 63 2 55.976 . . . . . . . . . . . . 8 18863 5 63 3 120.287 . . . . . . . . . . . . 8 18863 5 64 1 8.023 . . . . . . . . . . . . 8 18863 5 64 2 52.924 . . . . . . . . . . . . 8 18863 5 64 3 120.242 . . . . . . . . . . . . 8 18863 5 65 1 8.030 . . . . . . . . . . . . 8 18863 5 65 2 19.731 . . . . . . . . . . . . 8 18863 5 65 3 120.297 . . . . . . . . . . . . 8 18863 5 66 1 7.784 . . . . . . . . . . . . 8 18863 5 66 2 55.080 . . . . . . . . . . . . 8 18863 5 66 3 120.304 . . . . . . . . . . . . 8 18863 5 67 1 7.783 . . . . . . . . . . . . 8 18863 5 67 2 19.771 . . . . . . . . . . . . 8 18863 5 67 3 120.322 . . . . . . . . . . . . 8 18863 5 68 1 7.880 . . . . . . . . . . . . 8 18863 5 68 2 55.394 . . . . . . . . . . . . 8 18863 5 68 3 120.259 . . . . . . . . . . . . 8 18863 5 69 1 7.880 . . . . . . . . . . . . 8 18863 5 69 2 19.657 . . . . . . . . . . . . 8 18863 5 69 3 120.259 . . . . . . . . . . . . 8 18863 5 70 1 8.196 . . . . . . . . . . . . 8 18863 5 70 2 60.143 . . . . . . . . . . . . 8 18863 5 70 3 120.351 . . . . . . . . . . . . 8 18863 5 71 1 8.187 . . . . . . . . . . . . 8 18863 5 71 2 64.775 . . . . . . . . . . . . 8 18863 5 71 3 120.114 . . . . . . . . . . . . 8 18863 5 72 1 8.188 . . . . . . . . . . . . 8 18863 5 72 2 33.520 . . . . . . . . . . . . 8 18863 5 72 3 120.127 . . . . . . . . . . . . 8 18863 5 73 1 8.536 . . . . . . . . . . . . 8 18863 5 73 2 57.745 . . . . . . . . . . . . 8 18863 5 73 3 120.065 . . . . . . . . . . . . 8 18863 5 74 1 8.537 . . . . . . . . . . . . 8 18863 5 74 2 38.743 . . . . . . . . . . . . 8 18863 5 74 3 120.054 . . . . . . . . . . . . 8 18863 5 75 1 8.511 . . . . . . . . . . . . 8 18863 5 75 2 65.916 . . . . . . . . . . . . 8 18863 5 75 3 119.844 . . . . . . . . . . . . 8 18863 5 76 1 7.707 . . . . . . . . . . . . 8 18863 5 76 2 54.424 . . . . . . . . . . . . 8 18863 5 76 3 119.785 . . . . . . . . . . . . 8 18863 5 77 1 7.707 . . . . . . . . . . . . 8 18863 5 77 2 20.013 . . . . . . . . . . . . 8 18863 5 77 3 119.802 . . . . . . . . . . . . 8 18863 5 78 1 7.647 . . . . . . . . . . . . 8 18863 5 78 2 60.702 . . . . . . . . . . . . 8 18863 5 78 3 119.789 . . . . . . . . . . . . 8 18863 5 79 1 7.632 . . . . . . . . . . . . 8 18863 5 79 2 57.951 . . . . . . . . . . . . 8 18863 5 79 3 119.819 . . . . . . . . . . . . 8 18863 5 80 1 7.632 . . . . . . . . . . . . 8 18863 5 80 2 43.730 . . . . . . . . . . . . 8 18863 5 80 3 119.835 . . . . . . . . . . . . 8 18863 5 81 1 7.820 . . . . . . . . . . . . 8 18863 5 81 2 59.129 . . . . . . . . . . . . 8 18863 5 81 3 119.774 . . . . . . . . . . . . 8 18863 5 82 1 7.821 . . . . . . . . . . . . 8 18863 5 82 2 43.134 . . . . . . . . . . . . 8 18863 5 82 3 119.771 . . . . . . . . . . . . 8 18863 5 83 1 8.082 . . . . . . . . . . . . 8 18863 5 83 2 56.888 . . . . . . . . . . . . 8 18863 5 83 3 119.769 . . . . . . . . . . . . 8 18863 5 84 1 8.090 . . . . . . . . . . . . 8 18863 5 84 2 18.896 . . . . . . . . . . . . 8 18863 5 84 3 119.721 . . . . . . . . . . . . 8 18863 5 85 1 8.237 . . . . . . . . . . . . 8 18863 5 85 2 39.806 . . . . . . . . . . . . 8 18863 5 85 3 119.754 . . . . . . . . . . . . 8 18863 5 86 1 8.234 . . . . . . . . . . . . 8 18863 5 86 2 63.218 . . . . . . . . . . . . 8 18863 5 86 3 119.683 . . . . . . . . . . . . 8 18863 5 87 1 8.472 . . . . . . . . . . . . 8 18863 5 87 2 61.143 . . . . . . . . . . . . 8 18863 5 87 3 119.686 . . . . . . . . . . . . 8 18863 5 88 1 8.468 . . . . . . . . . . . . 8 18863 5 88 2 33.433 . . . . . . . . . . . . 8 18863 5 88 3 119.667 . . . . . . . . . . . . 8 18863 5 89 1 8.183 . . . . . . . . . . . . 8 18863 5 89 2 43.263 . . . . . . . . . . . . 8 18863 5 89 3 119.572 . . . . . . . . . . . . 8 18863 5 90 1 8.178 . . . . . . . . . . . . 8 18863 5 90 2 59.630 . . . . . . . . . . . . 8 18863 5 90 3 119.474 . . . . . . . . . . . . 8 18863 5 91 1 8.077 . . . . . . . . . . . . 8 18863 5 91 2 66.473 . . . . . . . . . . . . 8 18863 5 91 3 119.476 . . . . . . . . . . . . 8 18863 5 92 1 7.964 . . . . . . . . . . . . 8 18863 5 92 2 56.813 . . . . . . . . . . . . 8 18863 5 92 3 119.568 . . . . . . . . . . . . 8 18863 5 93 1 7.958 . . . . . . . . . . . . 8 18863 5 93 2 19.149 . . . . . . . . . . . . 8 18863 5 93 3 119.554 . . . . . . . . . . . . 8 18863 5 94 1 7.514 . . . . . . . . . . . . 8 18863 5 94 2 59.485 . . . . . . . . . . . . 8 18863 5 94 3 119.419 . . . . . . . . . . . . 8 18863 5 95 1 7.514 . . . . . . . . . . . . 8 18863 5 95 2 42.848 . . . . . . . . . . . . 8 18863 5 95 3 119.424 . . . . . . . . . . . . 8 18863 5 96 1 7.614 . . . . . . . . . . . . 8 18863 5 96 2 29.253 . . . . . . . . . . . . 8 18863 5 96 3 119.371 . . . . . . . . . . . . 8 18863 5 97 1 7.613 . . . . . . . . . . . . 8 18863 5 97 2 60.768 . . . . . . . . . . . . 8 18863 5 97 3 119.303 . . . . . . . . . . . . 8 18863 5 98 1 7.639 . . . . . . . . . . . . 8 18863 5 98 2 54.280 . . . . . . . . . . . . 8 18863 5 98 3 119.155 . . . . . . . . . . . . 8 18863 5 99 1 7.638 . . . . . . . . . . . . 8 18863 5 99 2 20.385 . . . . . . . . . . . . 8 18863 5 99 3 119.118 . . . . . . . . . . . . 8 18863 5 100 1 8.023 . . . . . . . . . . . . 8 18863 5 100 2 57.154 . . . . . . . . . . . . 8 18863 5 100 3 118.764 . . . . . . . . . . . . 8 18863 5 101 1 8.019 . . . . . . . . . . . . 8 18863 5 101 2 19.060 . . . . . . . . . . . . 8 18863 5 101 3 118.777 . . . . . . . . . . . . 8 18863 5 102 1 8.394 . . . . . . . . . . . . 8 18863 5 102 2 60.893 . . . . . . . . . . . . 8 18863 5 102 3 118.591 . . . . . . . . . . . . 8 18863 5 103 1 8.391 . . . . . . . . . . . . 8 18863 5 103 2 29.207 . . . . . . . . . . . . 8 18863 5 103 3 118.560 . . . . . . . . . . . . 8 18863 5 104 1 7.824 . . . . . . . . . . . . 8 18863 5 104 2 59.582 . . . . . . . . . . . . 8 18863 5 104 3 118.290 . . . . . . . . . . . . 8 18863 5 105 1 7.824 . . . . . . . . . . . . 8 18863 5 105 2 43.268 . . . . . . . . . . . . 8 18863 5 105 3 118.283 . . . . . . . . . . . . 8 18863 5 106 1 7.489 . . . . . . . . . . . . 8 18863 5 106 2 47.922 . . . . . . . . . . . . 8 18863 5 106 3 118.310 . . . . . . . . . . . . 8 18863 5 107 1 8.396 . . . . . . . . . . . . 8 18863 5 107 2 63.491 . . . . . . . . . . . . 8 18863 5 107 3 118.021 . . . . . . . . . . . . 8 18863 5 108 1 8.400 . . . . . . . . . . . . 8 18863 5 108 2 40.704 . . . . . . . . . . . . 8 18863 5 108 3 118.088 . . . . . . . . . . . . 8 18863 5 109 1 7.812 . . . . . . . . . . . . 8 18863 5 109 2 56.857 . . . . . . . . . . . . 8 18863 5 109 3 117.921 . . . . . . . . . . . . 8 18863 5 110 1 7.581 . . . . . . . . . . . . 8 18863 5 110 2 58.579 . . . . . . . . . . . . 8 18863 5 110 3 117.952 . . . . . . . . . . . . 8 18863 5 111 1 7.586 . . . . . . . . . . . . 8 18863 5 111 2 31.343 . . . . . . . . . . . . 8 18863 5 111 3 117.888 . . . . . . . . . . . . 8 18863 5 112 1 7.975 . . . . . . . . . . . . 8 18863 5 112 2 55.468 . . . . . . . . . . . . 8 18863 5 112 3 117.900 . . . . . . . . . . . . 8 18863 5 113 1 7.976 . . . . . . . . . . . . 8 18863 5 113 2 19.739 . . . . . . . . . . . . 8 18863 5 113 3 117.881 . . . . . . . . . . . . 8 18863 5 114 1 7.695 . . . . . . . . . . . . 8 18863 5 114 2 66.587 . . . . . . . . . . . . 8 18863 5 114 3 117.885 . . . . . . . . . . . . 8 18863 5 115 1 7.697 . . . . . . . . . . . . 8 18863 5 115 2 32.638 . . . . . . . . . . . . 8 18863 5 115 3 117.919 . . . . . . . . . . . . 8 18863 5 116 1 7.769 . . . . . . . . . . . . 8 18863 5 116 2 59.554 . . . . . . . . . . . . 8 18863 5 116 3 117.995 . . . . . . . . . . . . 8 18863 5 117 1 7.776 . . . . . . . . . . . . 8 18863 5 117 2 19.078 . . . . . . . . . . . . 8 18863 5 117 3 117.814 . . . . . . . . . . . . 8 18863 5 118 1 7.777 . . . . . . . . . . . . 8 18863 5 118 2 57.128 . . . . . . . . . . . . 8 18863 5 118 3 117.764 . . . . . . . . . . . . 8 18863 5 119 1 7.901 . . . . . . . . . . . . 8 18863 5 119 2 56.498 . . . . . . . . . . . . 8 18863 5 119 3 117.542 . . . . . . . . . . . . 8 18863 5 120 1 7.898 . . . . . . . . . . . . 8 18863 5 120 2 19.503 . . . . . . . . . . . . 8 18863 5 120 3 117.542 . . . . . . . . . . . . 8 18863 5 121 1 7.678 . . . . . . . . . . . . 8 18863 5 121 2 47.327 . . . . . . . . . . . . 8 18863 5 121 3 117.366 . . . . . . . . . . . . 8 18863 5 122 1 7.747 . . . . . . . . . . . . 8 18863 5 122 2 59.141 . . . . . . . . . . . . 8 18863 5 122 3 117.207 . . . . . . . . . . . . 8 18863 5 123 1 7.749 . . . . . . . . . . . . 8 18863 5 123 2 43.445 . . . . . . . . . . . . 8 18863 5 123 3 117.230 . . . . . . . . . . . . 8 18863 5 124 1 7.931 . . . . . . . . . . . . 8 18863 5 124 2 66.689 . . . . . . . . . . . . 8 18863 5 124 3 116.943 . . . . . . . . . . . . 8 18863 5 125 1 7.938 . . . . . . . . . . . . 8 18863 5 125 2 33.331 . . . . . . . . . . . . 8 18863 5 125 3 116.912 . . . . . . . . . . . . 8 18863 5 126 1 7.990 . . . . . . . . . . . . 8 18863 5 126 2 61.725 . . . . . . . . . . . . 8 18863 5 126 3 116.718 . . . . . . . . . . . . 8 18863 5 127 1 7.988 . . . . . . . . . . . . 8 18863 5 127 2 40.818 . . . . . . . . . . . . 8 18863 5 127 3 116.718 . . . . . . . . . . . . 8 18863 5 128 1 7.885 . . . . . . . . . . . . 8 18863 5 128 2 56.118 . . . . . . . . . . . . 8 18863 5 128 3 116.660 . . . . . . . . . . . . 8 18863 5 129 1 7.887 . . . . . . . . . . . . 8 18863 5 129 2 19.433 . . . . . . . . . . . . 8 18863 5 129 3 116.676 . . . . . . . . . . . . 8 18863 5 130 1 8.393 . . . . . . . . . . . . 8 18863 5 130 2 56.925 . . . . . . . . . . . . 8 18863 5 130 3 116.161 . . . . . . . . . . . . 8 18863 5 131 1 8.392 . . . . . . . . . . . . 8 18863 5 131 2 19.378 . . . . . . . . . . . . 8 18863 5 131 3 116.183 . . . . . . . . . . . . 8 18863 5 132 1 7.060 . . . . . . . . . . . . 8 18863 5 132 2 67.741 . . . . . . . . . . . . 8 18863 5 132 3 116.116 . . . . . . . . . . . . 8 18863 5 133 1 7.059 . . . . . . . . . . . . 8 18863 5 133 2 32.532 . . . . . . . . . . . . 8 18863 5 133 3 116.101 . . . . . . . . . . . . 8 18863 5 134 1 8.161 . . . . . . . . . . . . 8 18863 5 134 2 56.721 . . . . . . . . . . . . 8 18863 5 134 3 115.978 . . . . . . . . . . . . 8 18863 5 135 1 8.156 . . . . . . . . . . . . 8 18863 5 135 2 19.170 . . . . . . . . . . . . 8 18863 5 135 3 115.945 . . . . . . . . . . . . 8 18863 5 136 1 8.126 . . . . . . . . . . . . 8 18863 5 136 2 46.175 . . . . . . . . . . . . 8 18863 5 136 3 115.333 . . . . . . . . . . . . 8 18863 5 137 1 8.159 . . . . . . . . . . . . 8 18863 5 137 2 59.950 . . . . . . . . . . . . 8 18863 5 137 3 114.892 . . . . . . . . . . . . 8 18863 5 138 1 8.164 . . . . . . . . . . . . 8 18863 5 138 2 43.065 . . . . . . . . . . . . 8 18863 5 138 3 114.865 . . . . . . . . . . . . 8 18863 5 139 1 8.144 . . . . . . . . . . . . 8 18863 5 139 2 43.135 . . . . . . . . . . . . 8 18863 5 139 3 114.891 . . . . . . . . . . . . 8 18863 5 140 1 7.573 . . . . . . . . . . . . 8 18863 5 140 2 53.199 . . . . . . . . . . . . 8 18863 5 140 3 114.048 . . . . . . . . . . . . 8 18863 5 141 1 7.574 . . . . . . . . . . . . 8 18863 5 141 2 20.337 . . . . . . . . . . . . 8 18863 5 141 3 114.043 . . . . . . . . . . . . 8 18863 5 142 1 8.604 . . . . . . . . . . . . 8 18863 5 142 2 60.650 . . . . . . . . . . . . 8 18863 5 142 3 110.425 . . . . . . . . . . . . 8 18863 5 143 1 8.597 . . . . . . . . . . . . 8 18863 5 143 2 29.596 . . . . . . . . . . . . 8 18863 5 143 3 110.380 . . . . . . . . . . . . 8 18863 5 144 1 7.525 . . . . . . . . . . . . 8 18863 5 144 2 40.269 . . . . . . . . . . . . 8 18863 5 144 3 108.496 . . . . . . . . . . . . 8 18863 5 145 1 8.634 . . . . . . . . . . . . 8 18863 5 145 2 57.046 . . . . . . . . . . . . 8 18863 5 145 3 107.554 . . . . . . . . . . . . 8 18863 5 146 1 8.635 . . . . . . . . . . . . 8 18863 5 146 2 19.127 . . . . . . . . . . . . 8 18863 5 146 3 107.557 . . . . . . . . . . . . 8 18863 5 147 1 8.062 . . . . . . . . . . . . 8 18863 5 147 2 56.544 . . . . . . . . . . . . 8 18863 5 147 3 107.335 . . . . . . . . . . . . 8 18863 5 148 1 8.062 . . . . . . . . . . . . 8 18863 5 148 2 44.095 . . . . . . . . . . . . 8 18863 5 148 3 107.331 . . . . . . . . . . . . 8 18863 5 149 1 7.923 . . . . . . . . . . . . 8 18863 5 149 2 61.290 . . . . . . . . . . . . 8 18863 5 149 3 106.585 . . . . . . . . . . . . 8 18863 5 150 1 7.928 . . . . . . . . . . . . 8 18863 5 150 2 40.133 . . . . . . . . . . . . 8 18863 5 150 3 106.561 . . . . . . . . . . . . 8 18863 5 151 1 8.025 . . . . . . . . . . . . 8 18863 5 151 2 61.143 . . . . . . . . . . . . 8 18863 5 151 3 106.182 . . . . . . . . . . . . 8 18863 5 152 1 8.027 . . . . . . . . . . . . 8 18863 5 152 2 33.865 . . . . . . . . . . . . 8 18863 5 152 3 106.083 . . . . . . . . . . . . 8 18863 5 153 1 8.225 . . . . . . . . . . . . 8 18863 5 153 2 66.822 . . . . . . . . . . . . 8 18863 5 153 3 105.547 . . . . . . . . . . . . 8 18863 5 154 1 8.242 . . . . . . . . . . . . 8 18863 5 154 2 32.964 . . . . . . . . . . . . 8 18863 5 154 3 105.611 . . . . . . . . . . . . 8 18863 5 155 1 8.228 . . . . . . . . . . . . 8 18863 5 155 2 32.803 . . . . . . . . . . . . 8 18863 5 155 3 105.588 . . . . . . . . . . . . 8 18863 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 . . 8.339 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 5 1 3 1 . . 125.042 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 5 2 1 1 . . 7.933 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 5 2 3 1 . . 123.944 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 5 3 1 1 . . 8.306 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 5 3 3 1 . . 123.704 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 5 4 1 1 . . 8.311 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 5 4 3 1 . . 123.787 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 5 5 1 1 . . 8.537 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 5 5 3 1 . . 123.518 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 5 6 1 1 . . 8.540 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 5 6 3 1 . . 123.536 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 5 7 1 1 . . 8.242 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 5 7 3 1 . . 123.112 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 5 8 1 1 . . 8.120 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 5 8 3 1 . . 123.116 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 5 9 1 1 . . 8.316 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 5 9 3 1 . . 122.919 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 5 10 1 1 . . 8.327 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 5 10 3 1 . . 122.895 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 5 11 1 1 . . 8.314 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 5 11 3 1 . . 122.885 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 5 12 1 1 . . 8.006 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 5 12 3 1 . . 122.696 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 5 13 1 1 . . 8.005 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 5 13 3 1 . . 122.702 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 5 14 1 1 . . 8.167 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 5 14 3 1 . . 122.668 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 5 15 1 1 . . 8.166 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 5 15 3 1 . . 122.666 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 5 16 1 1 . . 8.110 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 5 16 3 1 . . 122.662 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 5 17 1 1 . . 8.081 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 5 17 3 1 . . 122.753 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 5 18 1 1 . . 8.106 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 5 18 3 1 . . 122.662 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 5 19 1 1 . . 8.098 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 5 20 1 1 . . 8.025 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 5 20 3 1 . . 122.384 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 5 21 1 1 . . 8.001 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 5 21 3 1 . . 122.488 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 5 22 1 1 . . 8.023 . . 1 . 1 1 9 ALA H . . . . . . . . . . 25 . 18863 5 22 3 1 . . 122.408 . . 1 . 1 1 9 ALA N . . . . . . . . . . 26 . 18863 5 23 1 1 . . 7.820 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 5 23 3 1 . . 122.417 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 5 24 1 1 . . 7.820 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 5 24 3 1 . . 122.420 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 5 25 1 1 . . 7.914 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 5 25 3 1 . . 121.742 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 5 26 1 1 . . 7.915 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 5 26 3 1 . . 121.750 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 5 27 1 1 . . 8.161 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 5 27 3 1 . . 121.586 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 5 28 1 1 . . 8.162 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 5 28 3 1 . . 121.457 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 5 29 1 1 . . 7.862 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 5 29 3 1 . . 121.587 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 5 30 1 1 . . 7.863 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 5 30 3 1 . . 121.587 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 5 31 1 1 . . 8.544 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 5 31 3 1 . . 121.468 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 5 32 1 1 . . 8.544 . . 1 . . . . . . . . . . . . . . . . 35 . 18863 5 32 3 1 . . 121.449 . . 1 . . . . . . . . . . . . . . . . 36 . 18863 5 33 1 1 . . 8.282 . . 1 . 1 1 3 LEU H . . . . . . . . . . 37 . 18863 5 33 3 1 . . 121.313 . . 1 . 1 1 3 LEU N . . . . . . . . . . 38 . 18863 5 34 1 1 . . 8.156 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 5 34 3 1 . . 121.156 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 5 37 1 1 . . 7.949 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 5 37 3 1 . . 121.078 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 5 38 1 1 . . 7.955 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 5 38 3 1 . . 121.028 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 5 39 1 1 . . 8.306 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 5 39 3 1 . . 120.959 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 5 40 1 1 . . 8.309 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 5 40 3 1 . . 120.934 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 5 41 1 1 . . 8.579 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 5 41 3 1 . . 120.975 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 5 42 1 1 . . 8.578 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 5 42 3 1 . . 120.953 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 5 43 1 1 . . 8.800 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 5 43 3 1 . . 120.839 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 5 44 1 1 . . 8.803 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 5 44 3 1 . . 120.752 . . 1 . 1 1 18 ASP N . . . . . . . . . . 50 . 18863 5 45 1 2 . . 8.055 . . 1 . 1 1 17 ASP H . . . . . . . . . . 228 . 18863 5 45 3 2 . . 120.651 . . 1 . 1 1 17 ASP N . . . . . . . . . . 229 . 18863 5 46 1 1 . . 8.056 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 5 46 3 1 . . 120.717 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 5 47 1 1 . . 8.396 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 5 47 3 1 . . 120.642 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 5 48 1 1 . . 8.394 . . 1 . . . . . . . . . . . . . . . . 53 . 18863 5 48 3 1 . . 120.651 . . 1 . . . . . . . . . . . . . . . . 54 . 18863 5 49 1 1 . . 8.206 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 5 49 3 1 . . 120.720 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 5 50 1 1 . . 8.206 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 5 50 3 1 . . 120.658 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 5 51 1 1 . . 8.221 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 5 51 3 1 . . 120.476 . . 1 . 1 1 50 TYR N . . . . . . . . . . 56 . 18863 5 52 1 1 . . 8.248 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 5 52 3 1 . . 120.534 . . 1 . 1 1 10 ALA N . . . . . . . . . . 58 . 18863 5 53 1 1 . . 8.245 . . 1 . 1 1 10 ALA H . . . . . . . . . . 57 . 18863 5 53 3 1 . . 120.511 . . 1 . 1 1 10 ALA N . . . . . . . . . . 58 . 18863 5 54 1 1 . . 8.345 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 5 54 3 1 . . 120.498 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 5 55 1 1 . . 8.346 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 5 55 3 1 . . 120.458 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 5 56 1 1 . . 8.329 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 5 56 3 1 . . 120.389 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 5 57 1 1 . . 8.510 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 5 57 3 1 . . 120.416 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 5 58 1 1 . . 8.506 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 5 58 3 1 . . 120.416 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 5 59 1 1 . . 8.288 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 5 59 3 1 . . 120.485 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 5 60 1 1 . . 8.277 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 5 60 3 1 . . 120.431 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 5 61 1 1 . . 8.288 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 5 61 3 1 . . 120.511 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 5 62 1 1 . . 8.288 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 5 62 3 1 . . 120.354 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 5 63 1 1 . . 8.030 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 5 63 3 1 . . 120.287 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 5 64 1 1 . . 8.023 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 5 64 3 1 . . 120.242 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 5 65 1 1 . . 8.030 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 5 65 3 1 . . 120.297 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 5 66 1 1 . . 7.784 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 5 66 3 1 . . 120.304 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 5 67 1 1 . . 7.783 . . 1 . 1 1 84 ALA H . . . . . . . . . . 67 . 18863 5 67 3 1 . . 120.322 . . 1 . 1 1 84 ALA N . . . . . . . . . . 68 . 18863 5 68 1 1 . . 7.880 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 5 68 3 1 . . 120.259 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 5 69 1 1 . . 7.880 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 5 69 3 1 . . 120.259 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 5 70 1 1 . . 8.196 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 5 70 3 1 . . 120.351 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 5 71 1 1 . . 8.187 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 5 71 3 1 . . 120.114 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 5 72 1 1 . . 8.188 . . 1 . 1 1 12 ASP H . . . . . . . . . . 71 . 18863 5 72 3 1 . . 120.127 . . 1 . 1 1 12 ASP N . . . . . . . . . . 72 . 18863 5 73 1 1 . . 8.536 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 5 73 3 1 . . 120.065 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 5 74 1 1 . . 8.537 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 5 74 3 1 . . 120.054 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 5 75 1 1 . . 8.511 . . 1 . . . . . . . . . . . . . . . . 73 . 18863 5 75 3 1 . . 119.844 . . 1 . . . . . . . . . . . . . . . . 74 . 18863 5 76 1 1 . . 7.707 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 5 76 3 1 . . 119.785 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 5 77 1 1 . . 7.707 . . 1 . 1 1 85 ALA H . . . . . . . . . . 75 . 18863 5 77 3 1 . . 119.802 . . 1 . 1 1 85 ALA N . . . . . . . . . . 76 . 18863 5 78 1 1 . . 7.647 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 5 78 3 1 . . 119.789 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 5 79 1 1 . . 7.632 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 5 79 3 1 . . 119.819 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 5 80 1 1 . . 7.632 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 5 80 3 1 . . 119.835 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 5 81 1 1 . . 7.820 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 5 81 3 1 . . 119.774 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 5 82 1 1 . . 7.821 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 5 82 3 1 . . 119.771 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 5 83 1 1 . . 8.082 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 5 83 3 1 . . 119.769 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 5 84 1 1 . . 8.090 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 5 84 3 1 . . 119.721 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 5 85 1 1 . . 8.237 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 5 85 3 1 . . 119.754 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 5 86 1 1 . . 8.234 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 5 86 3 1 . . 119.683 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 5 87 1 1 . . 8.472 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 5 87 3 1 . . 119.686 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 5 88 1 1 . . 8.468 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 5 88 3 1 . . 119.667 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 5 89 1 1 . . 8.183 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 5 89 3 1 . . 119.572 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 5 90 1 1 . . 8.178 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 5 90 3 1 . . 119.474 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 5 91 1 1 . . 8.077 . . 1 . 1 1 52 LYS H . . . . . . . . . . 89 . 18863 5 91 3 1 . . 119.476 . . 1 . 1 1 52 LYS N . . . . . . . . . . 90 . 18863 5 92 1 1 . . 7.964 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 5 92 3 1 . . 119.568 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 5 93 1 1 . . 7.958 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 5 93 3 1 . . 119.554 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 5 94 1 1 . . 7.514 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 5 94 3 1 . . 119.419 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 5 95 1 1 . . 7.514 . . 1 . 1 1 72 LEU H . . . . . . . . . . 93 . 18863 5 95 3 1 . . 119.424 . . 1 . 1 1 72 LEU N . . . . . . . . . . 94 . 18863 5 96 1 1 . . 7.614 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 5 96 3 1 . . 119.371 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 5 97 1 1 . . 7.613 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 5 97 3 1 . . 119.303 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 5 98 1 1 . . 7.639 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 5 98 3 1 . . 119.155 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 5 99 1 1 . . 7.638 . . 1 . 1 1 8 PHE H . . . . . . . . . . 95 . 18863 5 99 3 1 . . 119.118 . . 1 . 1 1 8 PHE N . . . . . . . . . . 96 . 18863 5 100 1 1 . . 8.023 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 5 100 3 1 . . 118.764 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 5 101 1 1 . . 8.019 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 5 101 3 1 . . 118.777 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 5 102 1 1 . . 8.394 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 5 102 3 1 . . 118.591 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 5 103 1 1 . . 8.391 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 5 103 3 1 . . 118.560 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 5 104 1 1 . . 7.824 . . 1 . 1 1 73 LEU H . . . . . . . . . . 103 . 18863 5 104 3 1 . . 118.290 . . 1 . 1 1 73 LEU N . . . . . . . . . . 104 . 18863 5 105 1 1 . . 7.824 . . 1 . 1 1 73 LEU H . . . . . . . . . . 103 . 18863 5 105 3 1 . . 118.283 . . 1 . 1 1 73 LEU N . . . . . . . . . . 104 . 18863 5 106 1 1 . . 7.489 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 5 106 3 1 . . 118.310 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 5 107 1 1 . . 8.396 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 5 107 3 1 . . 118.021 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 5 108 1 1 . . 8.400 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 5 108 2 1 . . 40.704 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 595 . 18863 5 108 3 1 . . 118.088 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 5 109 1 1 . . 7.812 . . 1 . 1 1 71 LEU H . . . . . . . . . . 109 . 18863 5 109 3 1 . . 117.921 . . 1 . 1 1 71 LEU N . . . . . . . . . . 110 . 18863 5 110 1 1 . . 7.581 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 5 110 3 1 . . 117.952 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 5 111 1 1 . . 7.586 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 5 111 3 1 . . 117.888 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 5 112 1 1 . . 7.975 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 5 112 3 1 . . 117.900 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 5 113 1 1 . . 7.976 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 5 113 3 1 . . 117.881 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 5 114 1 1 . . 7.695 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 5 114 3 1 . . 117.885 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 5 115 1 1 . . 7.697 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 5 115 3 1 . . 117.919 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 5 116 1 1 . . 7.769 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 5 116 3 1 . . 117.995 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 5 117 1 1 . . 7.776 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 5 117 3 1 . . 117.814 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 5 118 1 1 . . 7.777 . . 1 . 1 1 11 MET H . . . . . . . . . . 117 . 18863 5 118 3 1 . . 117.764 . . 1 . 1 1 11 MET N . . . . . . . . . . 118 . 18863 5 119 1 1 . . 7.901 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 5 119 3 1 . . 117.542 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 5 120 1 1 . . 7.898 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 5 120 3 1 . . 117.542 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 5 121 1 1 . . 7.678 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 5 121 3 1 . . 117.366 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 5 122 1 1 . . 7.747 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 5 122 3 1 . . 117.207 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 5 123 1 1 . . 7.749 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 5 123 2 1 . . 43.445 . . 1 . 1 1 73 LEU CB . . . . . . . . . . 587 . 18863 5 123 3 1 . . 117.230 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 5 124 1 1 . . 7.931 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 5 124 3 1 . . 116.943 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 5 125 1 1 . . 7.938 . . 1 . 1 1 7 GLU H . . . . . . . . . . 127 . 18863 5 125 3 1 . . 116.912 . . 1 . 1 1 7 GLU N . . . . . . . . . . 128 . 18863 5 126 1 1 . . 7.990 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 5 126 3 1 . . 116.718 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 5 127 1 1 . . 7.988 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 5 127 3 1 . . 116.718 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 5 128 1 1 . . 7.885 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 5 128 3 1 . . 116.660 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 5 129 1 1 . . 7.887 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 5 129 3 1 . . 116.676 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 5 130 1 1 . . 8.393 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 5 130 3 1 . . 116.161 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 5 131 1 1 . . 8.392 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 5 131 3 1 . . 116.183 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 5 132 1 1 . . 7.060 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 5 132 3 1 . . 116.116 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 5 133 1 1 . . 7.059 . . 1 . 1 1 69 LEU H . . . . . . . . . . 135 . 18863 5 133 3 1 . . 116.101 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 5 134 1 1 . . 8.161 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 5 134 3 1 . . 115.978 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 5 135 1 1 . . 8.156 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 5 135 3 1 . . 115.945 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 5 136 1 1 . . 8.126 . . 1 . 1 1 5 SER H . . . . . . . . . . 139 . 18863 5 136 3 1 . . 115.333 . . 1 . 1 1 5 SER N . . . . . . . . . . 140 . 18863 5 137 1 1 . . 8.159 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 5 137 3 1 . . 114.892 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 5 138 1 1 . . 8.164 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 5 138 3 1 . . 114.865 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 5 139 1 1 . . 8.144 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 5 139 3 1 . . 114.891 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 5 140 1 1 . . 7.573 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 5 140 3 1 . . 114.048 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 5 141 1 1 . . 7.574 . . 1 . 1 1 86 SER H . . . . . . . . . . 143 . 18863 5 141 3 1 . . 114.043 . . 1 . 1 1 86 SER N . . . . . . . . . . 144 . 18863 5 142 1 1 . . 8.604 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 5 142 3 1 . . 110.425 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 5 143 1 1 . . 8.597 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 5 143 3 1 . . 110.380 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 5 144 1 1 . . 7.525 . . 1 . 1 1 23 ASN HD21 . . . . . . . . . . 151 . 18863 5 144 3 1 . . 108.496 . . 1 . 1 1 23 ASN ND2 . . . . . . . . . . 152 . 18863 5 145 1 1 . . 8.634 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 5 145 3 1 . . 107.554 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 5 146 1 1 . . 8.635 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 5 146 3 1 . . 107.557 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 5 147 1 1 . . 8.062 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 5 147 3 1 . . 107.335 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 5 148 1 1 . . 8.062 . . 1 . 1 1 4 GLY H . . . . . . . . . . 157 . 18863 5 148 3 1 . . 107.331 . . 1 . 1 1 4 GLY N . . . . . . . . . . 158 . 18863 5 149 1 1 . . 7.923 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 5 149 3 1 . . 106.585 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 5 150 1 1 . . 7.928 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 5 150 3 1 . . 106.561 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 5 151 1 1 . . 8.025 . . 1 . . . . . . . . . . . . . . . . 161 . 18863 5 151 3 1 . . 106.182 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 5 152 1 1 . . 8.027 . . 1 . . . . . . . . . . . . . . . . 161 . 18863 5 152 3 1 . . 106.083 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 5 153 1 1 . . 8.225 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 5 153 3 1 . . 105.547 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 5 154 1 1 . . 8.242 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 5 154 3 1 . . 105.611 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 5 155 1 1 . . 8.228 . . 1 . 1 1 58 GLY H . . . . . . . . . . 163 . 18863 5 155 3 1 . . 105.588 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 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 18863 _Spectral_peak_list.ID 6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HNCO' _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 . . 2002.992 . . . . . . . 18863 6 2 . . C 13 13C . . 1200.000 . . . . . . . 18863 6 3 . . N 15 15N . . 1400.021 . . . . . . . 18863 6 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 6 2 1.0 . . 18863 6 3 1.0 . . 18863 6 4 1.0 . . 18863 6 5 1.0 . . 18863 6 6 1.0 . . 18863 6 7 1.0 . . 18863 6 8 1.0 . . 18863 6 9 1.0 . . 18863 6 10 1.0 . . 18863 6 11 1.0 . . 18863 6 12 1.0 . . 18863 6 13 1.0 . . 18863 6 14 1.0 . . 18863 6 15 1.0 . . 18863 6 16 1.0 . . 18863 6 17 1.0 . . 18863 6 18 1.0 . . 18863 6 19 1.0 . . 18863 6 20 1.0 . . 18863 6 21 1.0 . . 18863 6 22 1.0 . . 18863 6 23 1.0 . . 18863 6 24 1.0 . . 18863 6 25 1.0 . . 18863 6 26 1.0 . . 18863 6 27 1.0 . . 18863 6 28 1.0 . . 18863 6 29 1.0 . . 18863 6 30 1.0 . . 18863 6 31 1.0 . . 18863 6 32 1.0 . . 18863 6 33 1.0 . . 18863 6 34 1.0 . . 18863 6 35 1.0 . . 18863 6 36 1.0 . . 18863 6 37 1.0 . . 18863 6 38 1.0 . . 18863 6 39 1.0 . . 18863 6 40 1.0 . . 18863 6 41 1.0 . . 18863 6 42 1.0 . . 18863 6 43 1.0 . . 18863 6 44 1.0 . . 18863 6 45 1.0 . . 18863 6 46 1.0 . . 18863 6 47 1.0 . . 18863 6 48 1.0 . . 18863 6 49 1.0 . . 18863 6 50 1.0 . . 18863 6 51 1.0 . . 18863 6 52 1.0 . . 18863 6 53 1.0 . . 18863 6 54 1.0 . . 18863 6 55 1.0 . . 18863 6 56 1.0 . . 18863 6 57 1.0 . . 18863 6 58 1.0 . . 18863 6 59 1.0 . . 18863 6 60 1.0 . . 18863 6 61 1.0 . . 18863 6 62 1.0 . . 18863 6 63 1.0 . . 18863 6 64 1.0 . . 18863 6 65 1.0 . . 18863 6 66 1.0 . . 18863 6 67 1.0 . . 18863 6 68 1.0 . . 18863 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 4341893.5000 . height 18863 6 1 58017243.7031 . volume 18863 6 2 3394647.0000 . height 18863 6 2 46243804.3125 . volume 18863 6 3 6106408.5000 . height 18863 6 3 84637163.6250 . volume 18863 6 4 5536811.5000 . height 18863 6 4 76459888.6250 . volume 18863 6 5 6855447.0000 . height 18863 6 5 90847452.2500 . volume 18863 6 6 6687904.0000 . height 18863 6 6 93121628.6875 . volume 18863 6 7 5979420.0000 . height 18863 6 7 77314000.0000 . volume 18863 6 8 6747005.5000 . height 18863 6 8 92667893.3750 . volume 18863 6 9 5414247.5000 . height 18863 6 9 77351001.0000 . volume 18863 6 10 6947328.5000 . height 18863 6 10 88175518.2500 . volume 18863 6 11 5944062.5000 . height 18863 6 11 81653852.1250 . volume 18863 6 12 5922018.0000 . height 18863 6 12 78710661.7500 . volume 18863 6 13 5319664.5000 . height 18863 6 13 78518371.8750 . volume 18863 6 14 5608165.5000 . height 18863 6 14 75132803.6250 . volume 18863 6 15 4115570.2500 . height 18863 6 15 58025454.6250 . volume 18863 6 16 6058537.0000 . height 18863 6 16 80903950.7500 . volume 18863 6 17 5263364.0000 . height 18863 6 17 69471607.9375 . volume 18863 6 18 4456814.0000 . height 18863 6 18 63434758.3750 . volume 18863 6 19 5884701.5000 . height 18863 6 19 75395242.0625 . volume 18863 6 20 5039857.5000 . height 18863 6 20 78418472.6875 . volume 18863 6 21 4011256.7500 . height 18863 6 21 58156591.6250 . volume 18863 6 22 4230446.5000 . height 18863 6 22 61414302.3125 . volume 18863 6 23 4631116.0000 . height 18863 6 23 60892133.5469 . volume 18863 6 24 5260752.5000 . height 18863 6 24 71473780.6250 . volume 18863 6 25 5786390.0000 . height 18863 6 25 75621570.9375 . volume 18863 6 26 6167661.5000 . height 18863 6 26 83878225.2500 . volume 18863 6 27 6883960.5000 . height 18863 6 27 95370545.8750 . volume 18863 6 28 5300585.5000 . height 18863 6 28 77722106.2500 . volume 18863 6 29 3989466.5000 . height 18863 6 29 57688706.1562 . volume 18863 6 30 3987717.5000 . height 18863 6 30 53867359.5625 . volume 18863 6 31 4648240.0000 . height 18863 6 31 57708207.8438 . volume 18863 6 32 4787287.5000 . height 18863 6 32 60625259.3750 . volume 18863 6 33 4441596.0000 . height 18863 6 33 61907476.8750 . volume 18863 6 34 6481068.5000 . height 18863 6 34 93691711.1250 . volume 18863 6 35 6197684.5000 . height 18863 6 35 81560030.6875 . volume 18863 6 36 8748813.0000 . height 18863 6 36 117737469.3750 . volume 18863 6 37 7918950.0000 . height 18863 6 37 111034852.3750 . volume 18863 6 38 13431839.0000 . height 18863 6 38 183365599.2500 . volume 18863 6 39 13858996.0000 . height 18863 6 39 183900212.7500 . volume 18863 6 40 12774089.0000 . height 18863 6 40 179245239.5000 . volume 18863 6 41 14596190.0000 . height 18863 6 41 185127136.0000 . volume 18863 6 42 14666398.0000 . height 18863 6 42 211980860.5000 . volume 18863 6 43 12949496.0000 . height 18863 6 43 192760626.9380 . volume 18863 6 44 11166198.0000 . height 18863 6 44 168871904.0000 . volume 18863 6 45 17518580.0000 . height 18863 6 45 223449898.5000 . volume 18863 6 46 14715651.0000 . height 18863 6 46 202669626.2500 . volume 18863 6 47 13488504.0000 . height 18863 6 47 188628207.8750 . volume 18863 6 48 11716531.0000 . height 18863 6 48 185635838.6880 . volume 18863 6 49 12975228.0000 . height 18863 6 49 175313466.2500 . volume 18863 6 50 15797817.0000 . height 18863 6 50 221072610.2500 . volume 18863 6 51 14743056.0000 . height 18863 6 51 218692184.8750 . volume 18863 6 52 11218430.0000 . height 18863 6 52 149809873.2500 . volume 18863 6 53 16405429.0000 . height 18863 6 53 225501501.2500 . volume 18863 6 54 16067542.0000 . height 18863 6 54 219569850.0000 . volume 18863 6 55 20427252.0000 . height 18863 6 55 272304462.7500 . volume 18863 6 56 21955476.0000 . height 18863 6 56 286528306.2500 . volume 18863 6 57 20955536.0000 . height 18863 6 57 274659476.2500 . volume 18863 6 58 18571872.0000 . height 18863 6 58 264567505.0000 . volume 18863 6 59 21085488.0000 . height 18863 6 59 289092247.5000 . volume 18863 6 60 2743061.5000 . height 18863 6 60 36923488.7812 . volume 18863 6 61 23836466.0000 . height 18863 6 61 315028842.0000 . volume 18863 6 62 19505074.0000 . height 18863 6 62 255708087.5000 . volume 18863 6 63 9248704.0000 . height 18863 6 63 137576444.3750 . volume 18863 6 64 6817220.0000 . height 18863 6 64 92975001.3125 . volume 18863 6 65 28259636.0000 . height 18863 6 65 381945932.5000 . volume 18863 6 66 5000769.0000 . height 18863 6 66 71049638.3750 . volume 18863 6 67 4693426.5000 . height 18863 6 67 66848124.7500 . volume 18863 6 68 5213063.5000 . height 18863 6 68 76658232.8438 . volume 18863 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 8.398 . . . . . . . . . . . . 8 18863 6 1 2 178.853 . . . . . . . . . . . . 8 18863 6 1 3 117.986 . . . . . . . . . . . . 8 18863 6 2 1 8.308 . . . . . . . . . . . . 8 18863 6 2 2 178.133 . . . . . . . . . . . . 8 18863 6 2 3 122.868 . . . . . . . . . . . . 8 18863 6 3 1 8.019 . . . . . . . . . . . . 8 18863 6 3 2 181.166 . . . . . . . . . . . . 8 18863 6 3 3 118.732 . . . . . . . . . . . . 8 18863 6 4 1 8.180 . . . . . . . . . . . . 8 18863 6 4 2 180.035 . . . . . . . . . . . . 8 18863 6 4 3 119.509 . . . . . . . . . . . . 8 18863 6 5 1 8.395 . . . . . . . . . . . . 8 18863 6 5 2 179.414 . . . . . . . . . . . . 8 18863 6 5 3 118.570 . . . . . . . . . . . . 8 18863 6 6 1 7.956 . . . . . . . . . . . . 8 18863 6 6 2 178.905 . . . . . . . . . . . . 8 18863 6 6 3 121.057 . . . . . . . . . . . . 8 18863 6 7 1 8.306 . . . . . . . . . . . . 8 18863 6 7 2 179.182 . . . . . . . . . . . . 8 18863 6 7 3 120.965 . . . . . . . . . . . . 8 18863 6 8 1 8.131 . . . . . . . . . . . . 8 18863 6 8 2 180.102 . . . . . . . . . . . . 8 18863 6 8 3 121.107 . . . . . . . . . . . . 8 18863 6 9 1 8.508 . . . . . . . . . . . . 8 18863 6 9 2 181.007 . . . . . . . . . . . . 8 18863 6 9 3 120.442 . . . . . . . . . . . . 8 18863 6 10 1 8.538 . . . . . . . . . . . . 8 18863 6 10 2 178.841 . . . . . . . . . . . . 8 18863 6 10 3 123.542 . . . . . . . . . . . . 8 18863 6 11 1 8.580 . . . . . . . . . . . . 8 18863 6 11 2 181.060 . . . . . . . . . . . . 8 18863 6 11 3 120.944 . . . . . . . . . . . . 8 18863 6 12 1 8.160 . . . . . . . . . . . . 8 18863 6 12 2 181.423 . . . . . . . . . . . . 8 18863 6 12 3 115.967 . . . . . . . . . . . . 8 18863 6 13 1 8.121 . . . . . . . . . . . . 8 18863 6 13 2 177.982 . . . . . . . . . . . . 8 18863 6 13 3 123.092 . . . . . . . . . . . . 8 18863 6 14 1 8.309 . . . . . . . . . . . . 8 18863 6 14 2 179.493 . . . . . . . . . . . . 8 18863 6 14 3 123.705 . . . . . . . . . . . . 8 18863 6 15 1 8.634 . . . . . . . . . . . . 8 18863 6 15 2 182.100 . . . . . . . . . . . . 8 18863 6 15 3 107.542 . . . . . . . . . . . . 8 18863 6 16 1 8.339 . . . . . . . . . . . . 8 18863 6 16 2 176.822 . . . . . . . . . . . . 8 18863 6 16 3 125.040 . . . . . . . . . . . . 8 18863 6 17 1 8.393 . . . . . . . . . . . . 8 18863 6 17 2 180.963 . . . . . . . . . . . . 8 18863 6 17 3 116.168 . . . . . . . . . . . . 8 18863 6 18 1 8.602 . . . . . . . . . . . . 8 18863 6 18 2 178.820 . . . . . . . . . . . . 8 18863 6 18 3 110.490 . . . . . . . . . . . . 8 18863 6 19 1 8.239 . . . . . . . . . . . . 8 18863 6 19 2 176.607 . . . . . . . . . . . . 8 18863 6 19 3 123.118 . . . . . . . . . . . . 8 18863 6 20 1 8.085 . . . . . . . . . . . . 8 18863 6 20 2 179.097 . . . . . . . . . . . . 8 18863 6 20 3 120.553 . . . . . . . . . . . . 8 18863 6 21 1 8.158 . . . . . . . . . . . . 8 18863 6 21 2 180.014 . . . . . . . . . . . . 8 18863 6 21 3 114.848 . . . . . . . . . . . . 8 18863 6 22 1 8.345 . . . . . . . . . . . . 8 18863 6 22 2 178.437 . . . . . . . . . . . . 8 18863 6 22 3 120.478 . . . . . . . . . . . . 8 18863 6 23 1 8.290 . . . . . . . . . . . . 8 18863 6 23 2 178.743 . . . . . . . . . . . . 8 18863 6 23 3 120.349 . . . . . . . . . . . . 8 18863 6 24 1 8.159 . . . . . . . . . . . . 8 18863 6 24 2 179.484 . . . . . . . . . . . . 8 18863 6 24 3 121.155 . . . . . . . . . . . . 8 18863 6 25 1 8.471 . . . . . . . . . . . . 8 18863 6 25 2 179.663 . . . . . . . . . . . . 8 18863 6 25 3 119.664 . . . . . . . . . . . . 8 18863 6 26 1 8.162 . . . . . . . . . . . . 8 18863 6 26 2 178.653 . . . . . . . . . . . . 8 18863 6 26 3 121.587 . . . . . . . . . . . . 8 18863 6 27 1 8.109 . . . . . . . . . . . . 8 18863 6 27 2 179.199 . . . . . . . . . . . . 8 18863 6 27 3 122.664 . . . . . . . . . . . . 8 18863 6 28 1 7.966 . . . . . . . . . . . . 8 18863 6 28 2 180.011 . . . . . . . . . . . . 8 18863 6 28 3 119.574 . . . . . . . . . . . . 8 18863 6 29 1 8.084 . . . . . . . . . . . . 8 18863 6 29 2 180.835 . . . . . . . . . . . . 8 18863 6 29 3 119.785 . . . . . . . . . . . . 8 18863 6 30 1 8.207 . . . . . . . . . . . . 8 18863 6 30 2 179.573 . . . . . . . . . . . . 8 18863 6 30 3 120.685 . . . . . . . . . . . . 8 18863 6 31 1 8.236 . . . . . . . . . . . . 8 18863 6 31 2 179.396 . . . . . . . . . . . . 8 18863 6 31 3 119.681 . . . . . . . . . . . . 8 18863 6 32 1 8.081 . . . . . . . . . . . . 8 18863 6 32 2 179.052 . . . . . . . . . . . . 8 18863 6 32 3 119.423 . . . . . . . . . . . . 8 18863 6 33 1 8.028 . . . . . . . . . . . . 8 18863 6 33 2 179.727 . . . . . . . . . . . . 8 18863 6 33 3 106.202 . . . . . . . . . . . . 8 18863 6 34 1 7.488 . . . . . . . . . . . . 8 18863 6 34 2 175.912 . . . . . . . . . . . . 8 18863 6 34 3 118.301 . . . . . . . . . . . . 8 18863 6 35 1 7.584 . . . . . . . . . . . . 8 18863 6 35 2 178.381 . . . . . . . . . . . . 8 18863 6 35 3 117.959 . . . . . . . . . . . . 8 18863 6 36 1 7.821 . . . . . . . . . . . . 8 18863 6 36 2 178.286 . . . . . . . . . . . . 8 18863 6 36 3 122.421 . . . . . . . . . . . . 8 18863 6 37 1 8.224 . . . . . . . . . . . . 8 18863 6 37 2 179.489 . . . . . . . . . . . . 8 18863 6 37 3 105.549 . . . . . . . . . . . . 8 18863 6 38 1 7.934 . . . . . . . . . . . . 8 18863 6 38 2 176.415 . . . . . . . . . . . . 8 18863 6 38 3 123.944 . . . . . . . . . . . . 8 18863 6 39 1 8.032 . . . . . . . . . . . . 8 18863 6 39 2 180.038 . . . . . . . . . . . . 8 18863 6 39 3 120.289 . . . . . . . . . . . . 8 18863 6 40 1 7.903 . . . . . . . . . . . . 8 18863 6 40 2 180.178 . . . . . . . . . . . . 8 18863 6 40 3 117.528 . . . . . . . . . . . . 8 18863 6 41 1 7.864 . . . . . . . . . . . . 8 18863 6 41 2 178.829 . . . . . . . . . . . . 8 18863 6 41 3 121.583 . . . . . . . . . . . . 8 18863 6 42 1 7.887 . . . . . . . . . . . . 8 18863 6 42 2 179.646 . . . . . . . . . . . . 8 18863 6 42 3 116.670 . . . . . . . . . . . . 8 18863 6 43 1 7.988 . . . . . . . . . . . . 8 18863 6 43 2 177.655 . . . . . . . . . . . . 8 18863 6 43 3 116.730 . . . . . . . . . . . . 8 18863 6 44 1 7.931 . . . . . . . . . . . . 8 18863 6 44 2 177.901 . . . . . . . . . . . . 8 18863 6 44 3 106.521 . . . . . . . . . . . . 8 18863 6 45 1 8.007 . . . . . . . . . . . . 8 18863 6 45 2 177.991 . . . . . . . . . . . . 8 18863 6 45 3 122.692 . . . . . . . . . . . . 8 18863 6 46 1 7.061 . . . . . . . . . . . . 8 18863 6 46 2 179.415 . . . . . . . . . . . . 8 18863 6 46 3 116.123 . . . . . . . . . . . . 8 18863 6 47 1 7.821 . . . . . . . . . . . . 8 18863 6 47 2 179.671 . . . . . . . . . . . . 8 18863 6 47 3 119.779 . . . . . . . . . . . . 8 18863 6 48 1 7.678 . . . . . . . . . . . . 8 18863 6 48 2 175.412 . . . . . . . . . . . . 8 18863 6 48 3 117.311 . . . . . . . . . . . . 8 18863 6 49 1 7.747 . . . . . . . . . . . . 8 18863 6 49 2 180.043 . . . . . . . . . . . . 8 18863 6 49 3 117.215 . . . . . . . . . . . . 8 18863 6 50 1 7.633 . . . . . . . . . . . . 8 18863 6 50 2 178.754 . . . . . . . . . . . . 8 18863 6 50 3 119.826 . . . . . . . . . . . . 8 18863 6 51 1 7.640 . . . . . . . . . . . . 8 18863 6 51 2 178.868 . . . . . . . . . . . . 8 18863 6 51 3 119.092 . . . . . . . . . . . . 8 18863 6 52 1 7.698 . . . . . . . . . . . . 8 18863 6 52 2 179.039 . . . . . . . . . . . . 8 18863 6 52 3 117.888 . . . . . . . . . . . . 8 18863 6 53 1 8.168 . . . . . . . . . . . . 8 18863 6 53 2 178.213 . . . . . . . . . . . . 8 18863 6 53 3 122.667 . . . . . . . . . . . . 8 18863 6 54 1 7.976 . . . . . . . . . . . . 8 18863 6 54 2 179.703 . . . . . . . . . . . . 8 18863 6 54 3 117.903 . . . . . . . . . . . . 8 18863 6 55 1 7.916 . . . . . . . . . . . . 8 18863 6 55 2 177.824 . . . . . . . . . . . . 8 18863 6 55 3 121.762 . . . . . . . . . . . . 8 18863 6 56 1 7.880 . . . . . . . . . . . . 8 18863 6 56 2 179.637 . . . . . . . . . . . . 8 18863 6 56 3 120.261 . . . . . . . . . . . . 8 18863 6 57 1 7.786 . . . . . . . . . . . . 8 18863 6 57 2 179.256 . . . . . . . . . . . . 8 18863 6 57 3 120.300 . . . . . . . . . . . . 8 18863 6 58 1 7.707 . . . . . . . . . . . . 8 18863 6 58 2 178.081 . . . . . . . . . . . . 8 18863 6 58 3 119.800 . . . . . . . . . . . . 8 18863 6 59 1 7.574 . . . . . . . . . . . . 8 18863 6 59 2 177.735 . . . . . . . . . . . . 8 18863 6 59 3 114.048 . . . . . . . . . . . . 8 18863 6 60 1 8.284 . . . . . . . . . . . . 8 18863 6 60 2 176.672 . . . . . . . . . . . . 8 18863 6 60 3 121.328 . . . . . . . . . . . . 8 18863 6 61 1 8.062 . . . . . . . . . . . . 8 18863 6 61 2 177.985 . . . . . . . . . . . . 8 18863 6 61 3 107.336 . . . . . . . . . . . . 8 18863 6 62 1 8.127 . . . . . . . . . . . . 8 18863 6 62 2 174.678 . . . . . . . . . . . . 8 18863 6 62 3 115.331 . . . . . . . . . . . . 8 18863 6 63 1 7.933 . . . . . . . . . . . . 8 18863 6 63 2 178.976 . . . . . . . . . . . . 8 18863 6 63 3 116.947 . . . . . . . . . . . . 8 18863 6 64 1 8.023 . . . . . . . . . . . . 8 18863 6 64 2 178.920 . . . . . . . . . . . . 8 18863 6 64 3 122.405 . . . . . . . . . . . . 8 18863 6 65 1 8.188 . . . . . . . . . . . . 8 18863 6 65 2 177.449 . . . . . . . . . . . . 8 18863 6 65 3 120.114 . . . . . . . . . . . . 8 18863 6 66 1 7.778 . . . . . . . . . . . . 8 18863 6 66 2 181.157 . . . . . . . . . . . . 8 18863 6 66 3 117.823 . . . . . . . . . . . . 8 18863 6 67 1 8.252 . . . . . . . . . . . . 8 18863 6 67 2 180.319 . . . . . . . . . . . . 8 18863 6 67 3 120.538 . . . . . . . . . . . . 8 18863 6 68 1 8.053 . . . . . . . . . . . . 8 18863 6 68 2 179.639 . . . . . . . . . . . . 8 18863 6 68 3 120.608 . . . . . . . . . . . . 8 18863 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 2 1 . . 178.853 . . 1 . 1 1 18 ASP C . . . . . . . . . . 514 . 18863 6 2 2 1 . . 178.133 . . 1 . 1 1 19 LYS C . . . . . . . . . . 517 . 18863 6 3 2 1 . . 181.166 . . 1 . 1 1 20 ALA C . . . . . . . . . . 518 . 18863 6 4 2 1 . . 180.035 . . 1 . 1 1 21 LEU C . . . . . . . . . . 519 . 18863 6 5 2 1 . . 179.414 . . 1 . 1 1 22 GLU C . . . . . . . . . . 520 . 18863 6 6 2 1 . . 178.905 . . 1 . 1 1 23 ASN C . . . . . . . . . . 521 . 18863 6 7 2 1 . . 179.182 . . 1 . 1 1 26 VAL C . . . . . . . . . . 522 . 18863 6 8 2 1 . . 180.102 . . 1 . 1 1 24 LEU C . . . . . . . . . . 523 . 18863 6 9 2 1 . . 181.007 . . 1 . 1 1 27 LEU C . . . . . . . . . . 524 . 18863 6 10 2 1 . . 178.841 . . 1 . 1 1 28 ASN C . . . . . . . . . . 525 . 18863 6 11 2 1 . . 181.060 . . 1 . 1 1 29 ALA C . . . . . . . . . . 526 . 18863 6 12 2 1 . . 181.423 . . 1 . 1 1 30 ALA C . . . . . . . . . . 527 . 18863 6 13 2 1 . . 177.982 . . 1 . 1 1 31 SER C . . . . . . . . . . 528 . 18863 6 14 2 1 . . 179.493 . . 1 . 1 1 32 VAL C . . . . . . . . . . 529 . 18863 6 15 2 1 . . 182.100 . . 1 . 1 1 33 ALA C . . . . . . . . . . 530 . 18863 6 16 2 1 . . 176.822 . . 1 . 1 1 34 GLY C . . . . . . . . . . 531 . 18863 6 17 2 1 . . 180.963 . . 1 . 1 1 35 ALA C . . . . . . . . . . 532 . 18863 6 18 2 1 . . 178.820 . . 1 . 1 1 36 HIS C . . . . . . . . . . 533 . 18863 6 19 2 1 . . 176.607 . . 1 . 1 1 37 GLY C . . . . . . . . . . 534 . 18863 6 20 2 1 . . 179.097 . . 1 . 1 1 38 ILE C . . . . . . . . . . 535 . 18863 6 21 2 1 . . 180.014 . . 1 . 1 1 39 LEU C . . . . . . . . . . 536 . 18863 6 22 2 1 . . 178.437 . . 1 . 1 1 41 PHE C . . . . . . . . . . 537 . 18863 6 23 2 1 . . 178.743 . . 1 . 1 1 42 LEU C . . . . . . . . . . 538 . 18863 6 24 2 1 . . 179.484 . . 1 . 1 1 43 VAL C . . . . . . . . . . 539 . 18863 6 25 2 1 . . 179.663 . . 1 . 1 1 44 PHE C . . . . . . . . . . 540 . 18863 6 26 2 1 . . 178.653 . . 1 . 1 1 45 PHE C . . . . . . . . . . 541 . 18863 6 27 2 1 . . 179.199 . . 1 . 1 1 46 CYS C . . . . . . . . . . 542 . 18863 6 28 2 1 . . 180.011 . . 1 . 1 1 47 ALA C . . . . . . . . . . 543 . 18863 6 29 2 1 . . 180.835 . . 1 . 1 1 48 ALA C . . . . . . . . . . 544 . 18863 6 30 2 1 . . 179.573 . . 1 . 1 1 49 TRP C . . . . . . . . . . 545 . 18863 6 31 2 1 . . 179.396 . . 1 . 1 1 50 TYR C . . . . . . . . . . 546 . 18863 6 32 2 1 . . 179.052 . . 1 . 1 1 51 ILE C . . . . . . . . . . 547 . 18863 6 33 2 1 . . 179.727 . . 1 . 1 1 52 LYS C . . . . . . . . . . 548 . 18863 6 34 2 1 . . 175.912 . . 1 . 1 1 53 GLY C . . . . . . . . . . 549 . 18863 6 35 2 1 . . 178.381 . . 1 . 1 1 54 ARG C . . . . . . . . . . 550 . 18863 6 36 2 1 . . 178.286 . . 1 . 1 1 55 LEU C . . . . . . . . . . 551 . 18863 6 37 2 1 . . 179.489 . . 1 . 1 1 57 PRO C . . . . . . . . . . 552 . 18863 6 38 2 1 . . 176.415 . . 1 . 1 1 58 GLY C . . . . . . . . . . 553 . 18863 6 39 2 1 . . 180.038 . . 1 . 1 1 59 ALA C . . . . . . . . . . 554 . 18863 6 40 2 1 . . 180.178 . . 1 . 1 1 60 ALA C . . . . . . . . . . 555 . 18863 6 41 2 1 . . 178.829 . . 1 . 1 1 61 TYR C . . . . . . . . . . 556 . 18863 6 42 2 1 . . 179.646 . . 1 . 1 1 62 ALA C . . . . . . . . . . 557 . 18863 6 43 2 1 . . 177.655 . . 1 . 1 1 63 PHE C . . . . . . . . . . 558 . 18863 6 44 2 1 . . 177.901 . . 1 . 1 1 64 TYR C . . . . . . . . . . 559 . 18863 6 45 2 1 . . 177.991 . . 1 . 1 1 66 VAL C . . . . . . . . . . 560 . 18863 6 46 2 1 . . 179.415 . . 1 . 1 1 68 PRO C . . . . . . . . . . 561 . 18863 6 47 2 1 . . 179.671 . . 1 . 1 1 69 LEU C . . . . . . . . . . 562 . 18863 6 48 2 1 . . 175.412 . . 1 . 1 1 65 GLY C . . . . . . . . . . 563 . 18863 6 49 2 1 . . 180.043 . . 1 . 1 1 73 LEU C . . . . . . . . . . 564 . 18863 6 50 2 1 . . 178.754 . . 1 . 1 1 74 LEU C . . . . . . . . . . 565 . 18863 6 51 2 1 . . 178.868 . . 1 . 1 1 75 ALA C . . . . . . . . . . 566 . 18863 6 52 2 1 . . 179.039 . . 1 . 1 1 78 PRO C . . . . . . . . . . 567 . 18863 6 53 2 1 . . 178.213 . . 1 . 1 1 79 ARG C . . . . . . . . . . 568 . 18863 6 54 2 1 . . 179.703 . . 1 . 1 1 80 ALA C . . . . . . . . . . 569 . 18863 6 55 2 1 . . 177.824 . . 1 . 1 1 81 TYR C . . . . . . . . . . 570 . 18863 6 56 2 1 . . 179.637 . . 1 . 1 1 82 ALA C . . . . . . . . . . 571 . 18863 6 57 2 1 . . 179.256 . . 1 . 1 1 83 ALA C . . . . . . . . . . 572 . 18863 6 58 2 1 . . 178.081 . . 1 . 1 1 84 ALA C . . . . . . . . . . 573 . 18863 6 59 2 1 . . 177.735 . . 1 . 1 1 85 ALA C . . . . . . . . . . 574 . 18863 6 60 2 1 . . 176.672 . . 1 . 1 1 2 PRO C . . . . . . . . . . 575 . 18863 6 61 2 1 . . 177.985 . . 1 . 1 1 3 LEU C . . . . . . . . . . 576 . 18863 6 62 2 1 . . 174.678 . . 1 . 1 1 4 GLY C . . . . . . . . . . 577 . 18863 6 63 2 1 . . 178.976 . . 1 . 1 1 6 PRO C . . . . . . . . . . 578 . 18863 6 64 2 1 . . 178.920 . . 1 . 1 1 8 PHE C . . . . . . . . . . 579 . 18863 6 65 2 1 . . 177.449 . . 1 . 1 1 11 MET C . . . . . . . . . . 580 . 18863 6 66 2 1 . . 181.157 . . 1 . 1 1 10 ALA C . . . . . . . . . . 581 . 18863 6 67 2 1 . . 180.319 . . 1 . 1 1 9 ALA C . . . . . . . . . . 582 . 18863 6 68 2 1 . . 179.639 . . 1 . 1 1 17 ASP C . . . . . . . . . . 583 . 18863 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 18863 _Spectral_peak_list.ID 7 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . . 5257.43 . . . . . . . 18863 7 2 . . C 13 13C . . 16000.00 . . . . . . . 18863 7 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 7 2 1.0 . . 18863 7 3 1.0 . . 18863 7 4 1.0 . . 18863 7 5 1.0 . . 18863 7 6 1.0 . . 18863 7 7 1.0 . . 18863 7 8 1.0 . . 18863 7 9 1.0 . . 18863 7 10 1.0 . . 18863 7 11 1.0 . . 18863 7 12 1.0 . . 18863 7 13 1.0 . . 18863 7 14 1.0 . . 18863 7 15 1.0 . . 18863 7 16 1.0 . . 18863 7 17 1.0 . . 18863 7 18 1.0 . . 18863 7 19 1.0 . . 18863 7 20 1.0 . . 18863 7 21 1.0 . . 18863 7 22 1.0 . . 18863 7 23 1.0 . . 18863 7 24 1.0 . . 18863 7 25 1.0 . . 18863 7 26 1.0 . . 18863 7 27 1.0 . . 18863 7 28 1.0 . . 18863 7 29 1.0 . . 18863 7 30 1.0 . . 18863 7 31 1.0 . . 18863 7 32 1.0 . . 18863 7 33 1.0 . . 18863 7 34 1.0 . . 18863 7 35 1.0 . . 18863 7 36 1.0 . . 18863 7 37 1.0 . . 18863 7 38 1.0 . . 18863 7 39 1.0 . . 18863 7 40 1.0 . . 18863 7 41 1.0 . . 18863 7 42 1.0 . . 18863 7 43 1.0 . . 18863 7 44 1.0 . . 18863 7 45 1.0 . . 18863 7 46 1.0 . . 18863 7 47 1.0 . . 18863 7 48 1.0 . . 18863 7 49 1.0 . . 18863 7 50 1.0 . . 18863 7 51 1.0 . . 18863 7 52 1.0 . . 18863 7 53 1.0 . . 18863 7 54 1.0 . . 18863 7 55 1.0 . . 18863 7 56 1.0 . . 18863 7 57 1.0 . . 18863 7 58 1.0 . . 18863 7 59 1.0 . . 18863 7 60 1.0 . . 18863 7 61 1.0 . . 18863 7 62 1.0 . . 18863 7 63 1.0 . . 18863 7 64 1.0 . . 18863 7 65 1.0 . . 18863 7 66 1.0 . . 18863 7 67 1.0 . . 18863 7 68 1.0 . . 18863 7 69 1.0 . . 18863 7 70 1.0 . . 18863 7 71 1.0 . . 18863 7 72 1.0 . . 18863 7 73 1.0 . . 18863 7 74 1.0 . . 18863 7 75 1.0 . . 18863 7 76 1.0 . . 18863 7 77 1.0 . . 18863 7 78 1.0 . . 18863 7 79 1.0 . . 18863 7 80 1.0 . . 18863 7 81 1.0 . . 18863 7 82 1.0 . . 18863 7 83 1.0 . . 18863 7 84 1.0 . . 18863 7 85 1.0 . . 18863 7 86 1.0 . . 18863 7 87 1.0 . . 18863 7 88 1.0 . . 18863 7 89 1.0 . . 18863 7 90 1.0 . . 18863 7 91 1.0 . . 18863 7 92 1.0 . . 18863 7 93 1.0 . . 18863 7 94 1.0 . . 18863 7 95 1.0 . . 18863 7 96 1.0 . . 18863 7 97 1.0 . . 18863 7 98 1.0 . . 18863 7 99 1.0 . . 18863 7 100 1.0 . . 18863 7 101 1.0 . . 18863 7 102 1.0 . . 18863 7 103 1.0 . . 18863 7 104 1.0 . . 18863 7 105 1.0 . . 18863 7 106 1.0 . . 18863 7 107 1.0 . . 18863 7 108 1.0 . . 18863 7 109 1.0 . . 18863 7 110 1.0 . . 18863 7 111 1.0 . . 18863 7 112 1.0 . . 18863 7 113 1.0 . . 18863 7 114 1.0 . . 18863 7 115 1.0 . . 18863 7 116 1.0 . . 18863 7 117 1.0 . . 18863 7 118 1.0 . . 18863 7 119 1.0 . . 18863 7 120 1.0 . . 18863 7 121 1.0 . . 18863 7 122 1.0 . . 18863 7 123 1.0 . . 18863 7 124 1.0 . . 18863 7 125 1.0 . . 18863 7 126 1.0 . . 18863 7 127 1.0 . . 18863 7 128 1.0 . . 18863 7 129 1.0 . . 18863 7 130 1.0 . . 18863 7 131 1.0 . . 18863 7 132 1.0 . . 18863 7 133 1.0 . . 18863 7 134 1.0 . . 18863 7 135 1.0 . . 18863 7 136 1.0 . . 18863 7 137 1.0 . . 18863 7 138 1.0 . . 18863 7 139 1.0 . . 18863 7 140 1.0 . . 18863 7 141 1.0 . . 18863 7 142 1.0 . . 18863 7 143 1.0 . . 18863 7 144 1.0 . . 18863 7 145 1.0 . . 18863 7 146 1.0 . . 18863 7 147 1.0 . . 18863 7 148 1.0 . . 18863 7 149 1.0 . . 18863 7 150 1.0 . . 18863 7 151 1.0 . . 18863 7 152 1.0 . . 18863 7 153 1.0 . . 18863 7 154 1.0 . . 18863 7 155 1.0 . . 18863 7 156 1.0 . . 18863 7 157 1.0 . . 18863 7 158 1.0 . . 18863 7 159 1.0 . . 18863 7 160 1.0 . . 18863 7 161 1.0 . . 18863 7 162 1.0 . . 18863 7 163 1.0 . . 18863 7 164 1.0 . . 18863 7 165 1.0 . . 18863 7 166 1.0 . . 18863 7 167 1.0 . . 18863 7 168 1.0 . . 18863 7 169 1.0 . . 18863 7 170 1.0 . . 18863 7 171 1.0 . . 18863 7 172 1.0 . . 18863 7 173 1.0 . . 18863 7 174 1.0 . . 18863 7 175 1.0 . . 18863 7 176 1.0 . . 18863 7 177 1.0 . . 18863 7 178 1.0 . . 18863 7 179 1.0 . . 18863 7 180 1.0 . . 18863 7 181 1.0 . . 18863 7 182 1.0 . . 18863 7 183 1.0 . . 18863 7 184 1.0 . . 18863 7 185 1.0 . . 18863 7 186 1.0 . . 18863 7 187 1.0 . . 18863 7 188 1.0 . . 18863 7 189 1.0 . . 18863 7 190 1.0 . . 18863 7 191 1.0 . . 18863 7 192 1.0 . . 18863 7 193 1.0 . . 18863 7 194 1.0 . . 18863 7 195 1.0 . . 18863 7 196 1.0 . . 18863 7 197 1.0 . . 18863 7 198 1.0 . . 18863 7 199 1.0 . . 18863 7 200 1.0 . . 18863 7 201 1.0 . . 18863 7 202 1.0 . . 18863 7 203 1.0 . . 18863 7 204 1.0 . . 18863 7 205 1.0 . . 18863 7 206 1.0 . . 18863 7 207 1.0 . . 18863 7 208 1.0 . . 18863 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 646361.0000000 . height 18863 7 1 4742565.6562500 . volume 18863 7 2 703703.0625000 . height 18863 7 2 5559144.6562500 . volume 18863 7 3 845722.5625000 . height 18863 7 3 6935854.0000000 . volume 18863 7 4 717760.6875000 . height 18863 7 4 6129982.5625000 . volume 18863 7 5 887577.1875000 . height 18863 7 5 7682424.9375000 . volume 18863 7 6 5289201.0000000 . height 18863 7 6 35859280.0000000 . volume 18863 7 7 6320594.0000000 . height 18863 7 7 45337090.2500000 . volume 18863 7 8 623348.9375000 . height 18863 7 8 5086047.2500000 . volume 18863 7 9 628300.8125000 . height 18863 7 9 5234330.1875000 . volume 18863 7 10 198057.0937500 . height 18863 7 10 1447198.1953100 . volume 18863 7 11 353298.9062500 . height 18863 7 11 2566962.3593800 . volume 18863 7 12 409195.8125000 . height 18863 7 12 3055716.3750000 . volume 18863 7 13 3094543.7500000 . height 18863 7 13 21967637.0000000 . volume 18863 7 14 2250426.0000000 . height 18863 7 14 18046901.6250000 . volume 18863 7 15 234886.9218750 . height 18863 7 15 1809951.5312500 . volume 18863 7 16 390007.7812500 . height 18863 7 16 3216180.3906200 . volume 18863 7 17 419027.9375000 . height 18863 7 17 3310202.5312500 . volume 18863 7 18 2495175.2500000 . height 18863 7 18 18848088.0000000 . volume 18863 7 19 214979.0156250 . height 18863 7 19 1659147.1562500 . volume 18863 7 20 276722.4375000 . height 18863 7 20 2022393.4531200 . volume 18863 7 21 888303.8125000 . height 18863 7 21 6562055.0000000 . volume 18863 7 22 394126.8750000 . height 18863 7 22 2807899.8750000 . volume 18863 7 23 307171.9062500 . height 18863 7 23 2233285.6406200 . volume 18863 7 24 187116.7187500 . height 18863 7 24 1696016.1093800 . volume 18863 7 25 195866.5937500 . height 18863 7 25 1690895.0156200 . volume 18863 7 26 755141.5625000 . height 18863 7 26 5999923.8125000 . volume 18863 7 27 406786.6875000 . height 18863 7 27 2922086.6406200 . volume 18863 7 28 241385.4687500 . height 18863 7 28 1766602.0937500 . volume 18863 7 29 178459.0156250 . height 18863 7 29 1405004.1093800 . volume 18863 7 30 158533.5312500 . height 18863 7 30 1023755.3320300 . volume 18863 7 31 505649.4375000 . height 18863 7 31 4106600.5937500 . volume 18863 7 32 786425.7500000 . height 18863 7 32 6411565.1875000 . volume 18863 7 33 271496.9375000 . height 18863 7 33 2074945.4531200 . volume 18863 7 34 149432.4218750 . height 18863 7 34 1322316.6640600 . volume 18863 7 35 447418.7187500 . height 18863 7 35 3660768.6875000 . volume 18863 7 36 1151094.2500000 . height 18863 7 36 8200795.4375000 . volume 18863 7 37 902669.7500000 . height 18863 7 37 6793663.5625000 . volume 18863 7 38 335869.7812500 . height 18863 7 38 2708322.3281200 . volume 18863 7 39 263981.1250000 . height 18863 7 39 1803189.6796900 . volume 18863 7 40 330026.5937500 . height 18863 7 40 2344883.8750000 . volume 18863 7 41 122810.0937500 . height 18863 7 41 995916.7578120 . volume 18863 7 42 149946.5937500 . height 18863 7 42 936373.7890620 . volume 18863 7 43 991792.4375000 . height 18863 7 43 6707749.8437500 . volume 18863 7 44 398183.0625000 . height 18863 7 44 3387748.7500000 . volume 18863 7 45 237243.6093750 . height 18863 7 45 1765283.2031200 . volume 18863 7 46 453862.6875000 . height 18863 7 46 3295880.6562500 . volume 18863 7 47 165525.8437500 . height 18863 7 47 1187738.7343800 . volume 18863 7 48 781036.3750000 . height 18863 7 48 5729675.0625000 . volume 18863 7 49 316584.8125000 . height 18863 7 49 2568194.1250000 . volume 18863 7 50 445568.4375000 . height 18863 7 50 3612029.7812500 . volume 18863 7 51 2251079.5000000 . height 18863 7 51 18124873.7500000 . volume 18863 7 52 338794.0000000 . height 18863 7 52 2405412.1250000 . volume 18863 7 53 455457.6875000 . height 18863 7 53 3499612.2812500 . volume 18863 7 54 294969.6875000 . height 18863 7 54 1911386.4531200 . volume 18863 7 55 324883.9375000 . height 18863 7 55 2363137.6093800 . volume 18863 7 56 300587.4062500 . height 18863 7 56 2115133.0312500 . volume 18863 7 57 212843.7968750 . height 18863 7 57 1548735.0937500 . volume 18863 7 58 125978.9375000 . height 18863 7 58 1155675.6015600 . volume 18863 7 59 118845.0234380 . height 18863 7 59 1630642.1015600 . volume 18863 7 60 294113.8125000 . height 18863 7 60 2144858.6875000 . volume 18863 7 61 486863.4062500 . height 18863 7 61 3512927.0000000 . volume 18863 7 62 317106.0312500 . height 18863 7 62 2447929.4687500 . volume 18863 7 63 237303.6093750 . height 18863 7 63 1868587.4375000 . volume 18863 7 64 543808.8750000 . height 18863 7 64 4024260.0312500 . volume 18863 7 65 354142.6562500 . height 18863 7 65 2545868.4218800 . volume 18863 7 66 1167403.8750000 . height 18863 7 66 8262809.2187500 . volume 18863 7 67 229076.0156250 . height 18863 7 67 1975511.7656200 . volume 18863 7 68 369631.2187500 . height 18863 7 68 3311527.1406200 . volume 18863 7 69 2533698.7500000 . height 18863 7 69 22891547.5000000 . volume 18863 7 70 1598317.3750000 . height 18863 7 70 15394472.0000000 . volume 18863 7 71 1811889.7500000 . height 18863 7 71 15797877.1250000 . volume 18863 7 72 2127090.0000000 . height 18863 7 72 19151860.6250000 . volume 18863 7 73 244905.7812500 . height 18863 7 73 2120883.8281200 . volume 18863 7 74 3526079.2500000 . height 18863 7 74 29642326.7500000 . volume 18863 7 75 139173.0000000 . height 18863 7 75 1125756.8203100 . volume 18863 7 76 182340.0156250 . height 18863 7 76 1364905.9843800 . volume 18863 7 77 241070.9218750 . height 18863 7 77 1965190.0312500 . volume 18863 7 78 1947381.1250000 . height 18863 7 78 13575838.5000000 . volume 18863 7 79 845085.1875000 . height 18863 7 79 6979042.3750000 . volume 18863 7 80 883940.6250000 . height 18863 7 80 7509104.5000000 . volume 18863 7 81 4008930.7500000 . height 18863 7 81 29226504.5000000 . volume 18863 7 82 4277764.0000000 . height 18863 7 82 36921970.2500000 . volume 18863 7 83 398112.2500000 . height 18863 7 83 4094047.5000000 . volume 18863 7 84 3674817.5000000 . height 18863 7 84 30228791.2500000 . volume 18863 7 85 242712.9531250 . height 18863 7 85 1950624.6406200 . volume 18863 7 86 2191428.7500000 . height 18863 7 86 16162262.5000000 . volume 18863 7 87 71963.2890625 . height 18863 7 87 507892.7421880 . volume 18863 7 88 90376.4062500 . height 18863 7 88 588687.8398440 . volume 18863 7 89 557226.4375000 . height 18863 7 89 4869669.8125000 . volume 18863 7 90 227372.1406250 . height 18863 7 90 1830011.7656200 . volume 18863 7 91 112258.9140620 . height 18863 7 91 783086.0898440 . volume 18863 7 92 132783.7812500 . height 18863 7 92 1017274.6953100 . volume 18863 7 93 195183.0625000 . height 18863 7 93 1706662.9531200 . volume 18863 7 94 227230.8906250 . height 18863 7 94 1980615.8125000 . volume 18863 7 95 1980121.8750000 . height 18863 7 95 16391883.8750000 . volume 18863 7 96 500477.3125000 . height 18863 7 96 4282695.3750000 . volume 18863 7 97 1499781.8750000 . height 18863 7 97 11304772.5000000 . volume 18863 7 98 441110.7812500 . height 18863 7 98 3466758.3750000 . volume 18863 7 99 221600.4375000 . height 18863 7 99 1737573.9843800 . volume 18863 7 100 385568.6562500 . height 18863 7 100 3087001.4062500 . volume 18863 7 101 1406482.6250000 . height 18863 7 101 13393725.3750000 . volume 18863 7 102 1477973.3750000 . height 18863 7 102 12773553.5000000 . volume 18863 7 103 341705.7187500 . height 18863 7 103 2716733.5000000 . volume 18863 7 104 342919.0000000 . height 18863 7 104 2358669.3281200 . volume 18863 7 105 821436.1250000 . height 18863 7 105 8746531.5000000 . volume 18863 7 106 1279506.8750000 . height 18863 7 106 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30.554 . . . . . . . . . . . . 8 18863 7 89 1 3.104 . . . . . . . . . . . . 8 18863 7 89 2 39.845 . . . . . . . . . . . . 8 18863 7 90 1 2.943 . . . . . . . . . . . . 8 18863 7 90 2 38.707 . . . . . . . . . . . . 8 18863 7 91 1 3.471 . . . . . . . . . . . . 8 18863 7 91 2 47.977 . . . . . . . . . . . . 8 18863 7 92 1 3.630 . . . . . . . . . . . . 8 18863 7 92 2 47.959 . . . . . . . . . . . . 8 18863 7 93 1 3.775 . . . . . . . . . . . . 8 18863 7 93 2 48.119 . . . . . . . . . . . . 8 18863 7 94 1 3.788 . . . . . . . . . . . . 8 18863 7 94 2 48.442 . . . . . . . . . . . . 8 18863 7 95 1 1.370 . . . . . . . . . . . . 8 18863 7 95 2 19.895 . . . . . . . . . . . . 8 18863 7 96 1 2.993 . . . . . . . . . . . . 8 18863 7 96 2 39.846 . . . . . . . . . . . . 8 18863 7 97 1 1.294 . . . . . . . . . . . . 8 18863 7 97 2 19.663 . . . . . . . . . . . . 8 18863 7 98 1 2.836 . . . . . . . . . . . . 8 18863 7 98 2 40.995 . . . . . . . . . . . . 8 18863 7 99 1 3.861 . . . . . . . . . . . . 8 18863 7 99 2 47.397 . . . . . . . . . . . . 8 18863 7 100 1 3.996 . . . . . . . . . . . . 8 18863 7 100 2 55.487 . . . . . . . . . . . . 8 18863 7 101 1 1.331 . . . . . . . . . . . . 8 18863 7 101 2 19.979 . . . . . . . . . . . . 8 18863 7 102 1 1.328 . . . . . . . . . . . . 8 18863 7 102 2 20.147 . . . . . . . . . . . . 8 18863 7 103 1 4.050 . . . . . . . . . . . . 8 18863 7 103 2 55.175 . . . . . . . . . . . . 8 18863 7 104 1 4.127 . . . . . . . . . . . . 8 18863 7 104 2 54.524 . . . . . . . . . . . . 8 18863 7 105 1 1.315 . . . . . . . . . . . . 8 18863 7 105 2 20.295 . . . . . . . . . . . . 8 18863 7 106 1 1.231 . . . . . . . . . . . . 8 18863 7 106 2 20.425 . . . . . . . . . . . . 8 18863 7 107 1 4.270 . . . . . . . . . . . . 8 18863 7 107 2 53.324 . . . . . . . . . . . . 8 18863 7 108 1 3.811 . . . . . . . . . . . . 8 18863 7 108 2 59.619 . . . . . . . . . . . . 8 18863 7 109 1 3.782 . . . . . . . . . . . . 8 18863 7 109 2 65.802 . . . . . . . . . . . . 8 18863 7 110 1 4.044 . . . . . . . . . . . . 8 18863 7 110 2 55.571 . . . . . . . . . . . . 8 18863 7 111 1 1.259 . . . . . . . . . . . . 8 18863 7 111 2 20.255 . . . . . . . . . . . . 8 18863 7 112 1 2.882 . . . . . . . . . . . . 8 18863 7 112 2 39.904 . . . . . . . . . . . . 8 18863 7 113 1 2.166 . . . . . . . . . . . . 8 18863 7 113 2 29.526 . . . . . . . . . . . . 8 18863 7 114 1 3.915 . . . . . . . . . . . . 8 18863 7 114 2 60.890 . . . . . . . . . . . . 8 18863 7 115 1 4.119 . . . . . . . . . . . . 8 18863 7 115 2 59.930 . . . . . . . . . . . . 8 18863 7 116 1 4.076 . . . . . . . . . . . . 8 18863 7 116 2 59.940 . . . . . . . . . . . . 8 18863 7 117 1 4.038 . . . . . . . . . . . . 8 18863 7 117 2 60.105 . . . . . . . . . . . . 8 18863 7 118 1 4.398 . . . . . . . . . . . . 8 18863 7 118 2 38.692 . . . . . . . . . . . . 8 18863 7 119 1 1.348 . . . . . . . . . . . . 8 18863 7 119 2 30.975 . . . . . . . . . . . . 8 18863 7 120 1 1.700 . . . . . . . . . . . . 8 18863 7 120 2 30.910 . . . . . . . . . . . . 8 18863 7 121 1 4.000 . . . . . . . . . . . . 8 18863 7 121 2 59.258 . . . . . . . . . . . . 8 18863 7 122 1 2.033 . . . . . . . . . . . . 8 18863 7 122 2 31.093 . . . . . . . . . . . . 8 18863 7 123 1 1.933 . . . . . . . . . . . . 8 18863 7 123 2 31.034 . . . . . . . . . . . . 8 18863 7 124 1 3.985 . . . . . . . . . . . . 8 18863 7 124 2 60.713 . . . . . . . . . . . . 8 18863 7 125 1 2.646 . . . . . . . . . . . . 8 18863 7 125 2 33.904 . . . . . . . . . . . . 8 18863 7 126 1 2.524 . . . . . . . . . . . . 8 18863 7 126 2 33.944 . . . . . . . . . . . . 8 18863 7 127 1 1.411 . . . . . . . . . . . . 8 18863 7 127 2 19.302 . . . . . . . . . . . . 8 18863 7 128 1 1.872 . . . . . . . . . . . . 8 18863 7 128 2 43.582 . . . . . . . . . . . . 8 18863 7 129 1 1.816 . . . . . . . . . . . . 8 18863 7 129 2 43.616 . . . . . . . . . . . . 8 18863 7 130 1 1.705 . . . . . . . . . . . . 8 18863 7 130 2 28.642 . . . . . . . . . . . . 8 18863 7 131 1 0.879 . . . . . . . . . . . . 8 18863 7 131 2 25.335 . . . . . . . . . . . . 8 18863 7 132 1 0.831 . . . . . . . . . . . . 8 18863 7 132 2 25.302 . . . . . . . . . . . . 8 18863 7 133 1 4.028 . . . . . . . . . . . . 8 18863 7 133 2 59.885 . . . . . . . . . . . . 8 18863 7 134 1 1.635 . . . . . . . . . . . . 8 18863 7 134 2 43.438 . . . . . . . . . . . . 8 18863 7 135 1 1.787 . . . . . . . . . . . . 8 18863 7 135 2 43.421 . . . . . . . . . . . . 8 18863 7 136 1 1.617 . . . . . . . . . . . . 8 18863 7 136 2 28.853 . . . . . . . . . . . . 8 18863 7 137 1 0.862 . . . . . . . . . . . . 8 18863 7 137 2 25.318 . . . . . . . . . . . . 8 18863 7 138 1 0.808 . . . . . . . . . . . . 8 18863 7 138 2 25.305 . . . . . . . . . . . . 8 18863 7 139 1 2.624 . . . . . . . . . . . . 8 18863 7 139 2 40.436 . . . . . . . . . . . . 8 18863 7 140 1 3.363 . . . . . . . . . . . . 8 18863 7 140 2 29.626 . . . . . . . . . . . . 8 18863 7 141 1 4.239 . . . . . . . . . . . . 8 18863 7 141 2 63.702 . . . . . . . . . . . . 8 18863 7 142 1 3.265 . . . . . . . . . . . . 8 18863 7 142 2 40.550 . . . . . . . . . . . . 8 18863 7 143 1 3.225 . . . . . . . . . . . . 8 18863 7 143 2 40.587 . . . . . . . . . . . . 8 18863 7 144 1 4.055 . . . . . . . . . . . . 8 18863 7 144 2 60.122 . . . . . . . . . . . . 8 18863 7 146 1 3.111 . . . . . . . . . . . . 8 18863 7 146 2 39.893 . . . . . . . . . . . . 8 18863 7 147 1 3.079 . . . . . . . . . . . . 8 18863 7 147 2 39.857 . . . . . . . . . . . . 8 18863 7 148 1 1.732 . . . . . . . . . . . . 8 18863 7 148 2 30.830 . . . . . . . . . . . . 8 18863 7 149 1 1.552 . . . . . . . . . . . . 8 18863 7 149 2 26.685 . . . . . . . . . . . . 8 18863 7 150 1 1.428 . . . . . . . . . . . . 8 18863 7 150 2 26.715 . . . . . . . . . . . . 8 18863 7 151 1 2.911 . . . . . . . . . . . . 8 18863 7 151 2 43.598 . . . . . . . . . . . . 8 18863 7 152 1 2.878 . . . . . . . . . . . . 8 18863 7 152 2 43.562 . . . . . . . . . . . . 8 18863 7 153 1 1.541 . . . . . . . . . . . . 8 18863 7 153 2 44.213 . . . . . . . . . . . . 8 18863 7 154 1 1.519 . . . . . . . . . . . . 8 18863 7 154 2 44.195 . . . . . . . . . . . . 8 18863 7 155 1 1.826 . . . . . . . . . . . . 8 18863 7 155 2 28.449 . . . . . . . . . . . . 8 18863 7 156 1 0.857 . . . . . . . . . . . . 8 18863 7 156 2 26.477 . . . . . . . . . . . . 8 18863 7 157 1 0.823 . . . . . . . . . . . . 8 18863 7 157 2 26.441 . . . . . . . . . . . . 8 18863 7 158 1 4.288 . . . . . . . . . . . . 8 18863 7 158 2 66.899 . . . . . . . . . . . . 8 18863 7 159 1 1.833 . . . . . . . . . . . . 8 18863 7 159 2 32.855 . . . . . . . . . . . . 8 18863 7 160 1 1.808 . . . . . . . . . . . . 8 18863 7 160 2 32.855 . . . . . . . . . . . . 8 18863 7 161 1 1.949 . . . . . . . . . . . . 8 18863 7 161 2 29.415 . . . . . . . . . . . . 8 18863 7 162 1 1.928 . . . . . . . . . . . . 8 18863 7 162 2 29.379 . . . . . . . . . . . . 8 18863 7 163 1 3.539 . . . . . . . . . . . . 8 18863 7 163 2 51.654 . . . . . . . . . . . . 8 18863 7 164 1 3.527 . . . . . . . . . . . . 8 18863 7 164 2 51.618 . . . . . . . . . . . . 8 18863 7 165 1 3.038 . . . . . . . . . . . . 8 18863 7 165 2 39.870 . . . . . . . . . . . . 8 18863 7 166 1 2.824 . . . . . . . . . . . . 8 18863 7 166 2 41.012 . . . . . . . . . . . . 8 18863 7 167 1 2.921 . . . . . . . . . . . . 8 18863 7 167 2 40.193 . . . . . . . . . . . . 8 18863 7 168 1 2.896 . . . . . . . . . . . . 8 18863 7 168 2 40.193 . . . . . . . . . . . . 8 18863 7 169 1 4.008 . . . . . . . . . . . . 8 18863 7 169 2 64.969 . . . . . . . . . . . . 8 18863 7 170 1 0.832 . . . . . . . . . . . . 8 18863 7 170 2 22.346 . . . . . . . . . . . . 8 18863 7 171 1 0.810 . . . . . . . . . . . . 8 18863 7 171 2 22.321 . . . . . . . . . . . . 8 18863 7 172 1 3.217 . . . . . . . . . . . . 8 18863 7 172 2 29.079 . . . . . . . . . . . . 8 18863 7 173 1 3.990 . . . . . . . . . . . . 8 18863 7 173 2 67.827 . . . . . . . . . . . . 8 18863 7 174 1 1.647 . . . . . . . . . . . . 8 18863 7 174 2 32.717 . . . . . . . . . . . . 8 18863 7 175 1 1.685 . . . . . . . . . . . . 8 18863 7 175 2 43.252 . . . . . . . . . . . . 8 18863 7 176 1 1.661 . . . . . . . . . . . . 8 18863 7 176 2 43.239 . . . . . . . . . . . . 8 18863 7 177 1 1.642 . . . . . . . . . . . . 8 18863 7 177 2 28.640 . . . . . . . . . . . . 8 18863 7 178 1 0.848 . . . . . . . . . . . . 8 18863 7 178 2 25.734 . . . . . . . . . . . . 8 18863 7 179 1 0.809 . . . . . . . . . . . . 8 18863 7 179 2 25.685 . . . . . . . . . . . . 8 18863 7 180 1 1.590 . . . . . . . . . . . . 8 18863 7 180 2 43.173 . . . . . . . . . . . . 8 18863 7 181 1 1.554 . . . . . . . . . . . . 8 18863 7 181 2 43.148 . . . . . . . . . . . . 8 18863 7 182 1 4.015 . . . . . . . . . . . . 8 18863 7 182 2 59.504 . . . . . . . . . . . . 8 18863 7 183 1 1.801 . . . . . . . . . . . . 8 18863 7 183 2 43.264 . . . . . . . . . . . . 8 18863 7 184 1 1.652 . . . . . . . . . . . . 8 18863 7 184 2 43.188 . . . . . . . . . . . . 8 18863 7 185 1 3.964 . . . . . . . . . . . . 8 18863 7 185 2 59.485 . . . . . . . . . . . . 8 18863 7 186 1 1.711 . . . . . . . . . . . . 8 18863 7 186 2 43.479 . . . . . . . . . . . . 8 18863 7 187 1 1.677 . . . . . . . . . . . . 8 18863 7 187 2 43.479 . . . . . . . . . . . . 8 18863 7 188 1 4.000 . . . . . . . . . . . . 8 18863 7 188 2 59.384 . . . . . . . . . . . . 8 18863 7 189 1 1.857 . . . . . . . . . . . . 8 18863 7 189 2 43.505 . . . . . . . . . . . . 8 18863 7 190 1 1.841 . . . . . . . . . . . . 8 18863 7 190 2 43.479 . . . . . . . . . . . . 8 18863 7 191 1 4.064 . . . . . . . . . . . . 8 18863 7 191 2 58.111 . . . . . . . . . . . . 8 18863 7 192 1 1.831 . . . . . . . . . . . . 8 18863 7 192 2 43.779 . . . . . . . . . . . . 8 18863 7 193 1 1.442 . . . . . . . . . . . . 8 18863 7 193 2 43.741 . . . . . . . . . . . . 8 18863 7 194 1 1.815 . . . . . . . . . . . . 8 18863 7 194 2 28.406 . . . . . . . . . . . . 8 18863 7 195 1 0.803 . . . . . . . . . . . . 8 18863 7 195 2 26.531 . . . . . . . . . . . . 8 18863 7 196 1 0.785 . . . . . . . . . . . . 8 18863 7 196 2 24.212 . . . . . . . . . . . . 8 18863 7 197 1 2.982 . . . . . . . . . . . . 8 18863 7 197 2 39.893 . . . . . . . . . . . . 8 18863 7 198 1 0.920 . . . . . . . . . . . . 8 18863 7 198 2 18.627 . . . . . . . . . . . . 8 18863 7 199 1 0.809 . . . . . . . . . . . . 8 18863 7 199 2 18.737 . . . . . . . . . . . . 8 18863 7 200 1 3.991 . . . . . . . . . . . . 8 18863 7 200 2 64.723 . . . . . . . . . . . . 8 18863 7 201 1 3.045 . . . . . . . . . . . . 8 18863 7 201 2 39.376 . . . . . . . . . . . . 8 18863 7 202 1 3.031 . . . . . . . . . . . . 8 18863 7 202 2 39.415 . . . . . . . . . . . . 8 18863 7 203 1 4.391 . . . . . . . . . . . . 8 18863 7 203 2 57.726 . . . . . . . . . . . . 8 18863 7 204 1 3.084 . . . . . . . . . . . . 8 18863 7 204 2 38.704 . . . . . . . . . . . . 8 18863 7 205 1 2.733 . . . . . . . . . . . . 8 18863 7 205 2 38.704 . . . . . . . . . . . . 8 18863 7 206 1 1.759 . . . . . . . . . . . . 8 18863 7 206 2 43.266 . . . . . . . . . . . . 8 18863 7 207 1 1.461 . . . . . . . . . . . . 8 18863 7 207 2 43.305 . . . . . . . . . . . . 8 18863 7 208 1 4.287 . . . . . . . . . . . . 8 18863 7 208 2 66.774 . . . . . . . . . . . . 8 18863 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 . . 4.007 . . 1 . 1 1 20 ALA HA . . . . . . . . . . 244 . 18863 7 1 2 1 . . 57.029 . . 1 . 1 1 20 ALA CA . . . . . . . . . . 225 . 18863 7 2 1 1 . . 4.009 . . 1 . 1 1 21 LEU HA . . . . . . . . . . 247 . 18863 7 2 2 1 . . 59.829 . . 1 . 1 1 21 LEU CA . . . . . . . . . . 224 . 18863 7 3 1 1 . . 1.691 . . 1 . 1 1 21 LEU HB2 . . . . . . . . . . 248 . 18863 7 3 2 1 . . 43.422 . . 1 . 1 1 21 LEU CB . . . . . . . . . . 249 . 18863 7 4 1 1 . . 1.654 . . 1 . 1 1 21 LEU HB3 . . . . . . . . . . 250 . 18863 7 4 2 1 . . 43.422 . . 1 . 1 1 21 LEU CB . . . . . . . . . . 249 . 18863 7 5 1 1 . . 1.717 . . 1 . 1 1 21 LEU HG . . . . . . . . . . 251 . 18863 7 5 2 1 . . 28.650 . . 1 . 1 1 21 LEU CG . . . . . . . . . . 252 . 18863 7 6 1 1 . . 0.876 . . 1 . 1 1 21 LEU MD1 . . . . . . . . . . 253 . 18863 7 6 2 1 . . 25.726 . . 1 . 1 1 21 LEU CD1 . . . . . . . . . . 254 . 18863 7 7 1 1 . . 0.821 . . 1 . 1 1 21 LEU MD2 . . . . . . . . . . 255 . 18863 7 7 2 1 . . 25.228 . . 1 . 1 1 21 LEU CD2 . . . . . . . . . . 256 . 18863 7 8 1 1 . . 4.306 . . 1 . 1 1 23 ASN HA . . . . . . . . . . 257 . 18863 7 8 2 1 . . 57.834 . . 1 . 1 1 23 ASN CA . . . . . . . . . . 233 . 18863 7 9 1 1 . . 3.037 . . 1 . 1 1 23 ASN HB2 . . . . . . . . . . 258 . 18863 7 9 2 1 . . 39.537 . . 1 . 1 1 23 ASN CB . . . . . . . . . . 259 . 18863 7 10 1 1 . . 2.576 . . 1 . 1 1 23 ASN HB3 . . . . . . . . . . 260 . 18863 7 10 2 1 . . 39.513 . . 1 . 1 1 23 ASN CB . . . . . . . . . . 259 . 18863 7 11 1 1 . . 3.603 . . 1 . 1 1 25 VAL HA . . . . . . . . . . 261 . 18863 7 11 2 1 . . 68.718 . . 1 . 1 1 25 VAL CA . . . . . . . . . . 231 . 18863 7 12 1 2 . . 2.297 . . 1 . 1 1 25 VAL HB . . . . . . . . . . 262 . 18863 7 12 2 1 . . 33.377 . . 1 . 1 1 25 VAL CB . . . . . . . . . . 263 . 18863 7 13 1 1 . . 1.044 . . 1 . 1 1 25 VAL MG1 . . . . . . . . . . 264 . 18863 7 13 2 1 . . 24.319 . . 1 . 1 1 25 VAL CG1 . . . . . . . . . . 265 . 18863 7 14 1 1 . . 0.895 . . 1 . 1 1 25 VAL MG2 . . . . . . . . . . 266 . 18863 7 14 2 1 . . 22.614 . . 1 . 1 1 25 VAL CG2 . . . . . . . . . . 267 . 18863 7 15 1 1 . . 4.397 . . 1 . 1 1 28 ASN HA . . . . . . . . . . 268 . 18863 7 15 2 2 . . 58.565 . . 1 . 1 1 28 ASN CA . . . . . . . . . . 204 . 18863 7 16 1 1 . . 2.901 . . 1 . 1 1 28 ASN HB2 . . . . . . . . . . 270 . 18863 7 16 2 1 . . 40.303 . . 1 . 1 1 28 ASN CB . . . . . . . . . . 271 . 18863 7 17 1 1 . . 4.007 . . 1 . 1 1 29 ALA HA . . . . . . . . . . 272 . 18863 7 17 2 2 . . 57.337 . . 1 . 1 1 29 ALA CA . . . . . . . . . . 203 . 18863 7 18 1 1 . . 1.397 . . 1 . 1 1 29 ALA MB . . . . . . . . . . 274 . 18863 7 18 2 1 . . 19.354 . . 1 . 1 1 29 ALA CB . . . . . . . . . . 275 . 18863 7 19 1 1 . . 4.144 . . 1 . 1 1 31 SER HA . . . . . . . . . . 276 . 18863 7 19 2 2 . . 63.710 . . 1 . 1 1 31 SER CA . . . . . . . . . . 201 . 18863 7 20 1 2 . . 4.081 . . 1 . 1 1 31 SER HB3 . . . . . . . . . . 280 . 18863 7 20 2 1 . . 64.743 . . 1 . 1 1 31 SER CB . . . . . . . . . . 279 . 18863 7 21 1 1 . . 2.141 . . 1 . 1 1 32 VAL HB . . . . . . . . . . 281 . 18863 7 21 2 1 . . 33.637 . . 1 . 1 1 32 VAL CB . . . . . . . . . . 282 . 18863 7 22 1 1 . . 3.595 . . 1 . 1 1 32 VAL HA . . . . . . . . . . 283 . 18863 7 22 2 1 . . 68.318 . . 1 . 1 1 32 VAL CA . . . . . . . . . . 284 . 18863 7 23 1 1 . . 4.095 . . 1 . 1 1 33 ALA HA . . . . . . . . . . 285 . 18863 7 23 2 2 . . 57.234 . . 1 . 1 1 33 ALA CA . . . . . . . . . . 195 . 18863 7 24 1 1 . . 3.918 . . 1 . 1 1 48 ALA HA . . . . . . . . . . 411 . 18863 7 24 2 1 . . 56.910 . . 1 . 1 1 48 ALA CA . . . . . . . . . . 220 . 18863 7 25 1 1 . . 3.777 . . 1 . 1 1 37 GLY HA2 . . . . . . . . . . 290 . 18863 7 25 2 3 . . 48.706 . . 1 . 1 1 37 GLY CA . . . . . . . . . . 178 . 18863 7 26 1 1 . . 4.071 . . 1 . 1 1 35 ALA HA . . . . . . . . . . 292 . 18863 7 26 2 2 . . 57.051 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 176 . 18863 7 27 1 1 . . 3.371 . . 1 . 1 1 36 HIS HB2 . . . . . . . . . . 294 . 18863 7 27 2 1 . . 29.627 . . 1 . 1 1 36 HIS CB . . . . . . . . . . 295 . 18863 7 28 1 1 . . 4.244 . . 1 . 1 1 36 HIS HA . . . . . . . . . . 296 . 18863 7 28 2 2 . . 60.718 . . 1 . 1 1 36 HIS CA . . . . . . . . . . 177 . 18863 7 29 1 2 . . 1.863 . . 1 . 1 1 51 ILE HB . . . . . . . . . . 726 . 18863 7 29 2 2 . . 39.489 . . 1 . 1 1 51 ILE CB . . . . . . . . . . 727 . 18863 7 30 1 1 . . 3.796 . . 1 . 1 1 38 ILE HA . . . . . . . . . . 302 . 18863 7 30 2 2 . . 66.576 . . 1 . 1 1 38 ILE CA . . . . . . . . . . 184 . 18863 7 31 1 1 . . 4.063 . . 1 . 1 1 39 LEU HA . . . . . . . . . . 304 . 18863 7 31 2 1 . . 59.685 . . 1 . . . . . . . . . . . . . . . . 305 . 18863 7 32 1 1 . . 1.773 . . 1 . 1 1 39 LEU HB2 . . . . . . . . . . 306 . 18863 7 32 2 1 . . 43.363 . . 1 . 1 1 39 LEU CB . . . . . . . . . . 307 . 18863 7 33 1 1 . . 3.805 . . 1 . 1 1 40 SER HB2 . . . . . . . . . . 308 . 18863 7 33 2 2 . . 65.093 . . 1 . 1 1 40 SER CB . . . . . . . . . . 310 . 18863 7 34 1 1 . . 3.789 . . 1 . 1 1 40 SER HA . . . . . . . . . . 311 . 18863 7 34 2 2 . . 64.621 . . 1 . 1 1 40 SER CA . . . . . . . . . . 186 . 18863 7 35 1 1 . . 1.814 . . 1 . 1 1 42 LEU HB2 . . . . . . . . . . 313 . 18863 7 35 2 1 . . 43.800 . . 1 . 1 1 42 LEU CB . . . . . . . . . . 314 . 18863 7 37 1 1 . . 1.903 . . 1 . 1 1 43 VAL HB . . . . . . . . . . 317 . 18863 7 37 2 1 . . 33.693 . . 1 . 1 1 32 VAL CB . . . . . . . . . . 282 . 18863 7 37 2 2 . . 33.693 . . 1 . 1 1 43 VAL CB . . . . . . . . . . 318 . 18863 7 38 1 1 . . 1.839 . . 1 . . . . . . . . . . . . . . . . 319 . 18863 7 38 2 1 . . 33.456 . . 1 . . . . . . . . . . . . . . . . 320 . 18863 7 39 1 2 . . 1.951 . . 1 . 1 1 38 ILE HB . . . . . . . . . . 300 . 18863 7 39 2 2 . . 39.472 . . 1 . 1 1 38 ILE CB . . . . . . . . . . 301 . 18863 7 41 1 1 . . 3.973 . . 1 . 1 1 49 TRP HA . . . . . . . . . . 324 . 18863 7 41 2 1 . . 62.501 . . 1 . 1 1 49 TRP CA . . . . . . . . . . 325 . 18863 7 42 1 1 . . 3.956 . . 1 . 1 1 50 TYR HA . . . . . . . . . . 326 . 18863 7 42 2 1 . . 63.419 . . 1 . 1 1 50 TYR CA . . . . . . . . . . 327 . 18863 7 43 1 1 . . 3.464 . . 1 . 1 1 51 ILE HA . . . . . . . . . . 328 . 18863 7 43 2 1 . . 66.667 . . 1 . 1 1 51 ILE CA . . . . . . . . . . 329 . 18863 7 44 1 1 . . 3.947 . . 1 . 1 1 44 PHE HA . . . . . . . . . . 323 . 18863 7 44 2 1 . . 61.093 . . 1 . 1 1 44 PHE CA . . . . . . . . . . 216 . 18863 7 45 1 2 . . 4.010 . . 1 . 1 1 54 ARG HA . . . . . . . . . . 332 . 18863 7 45 2 2 . . 58.550 . . 1 . 1 1 54 ARG CA . . . . . . . . . . 181 . 18863 7 46 1 1 . . 4.239 . . 1 . 1 1 55 LEU HA . . . . . . . . . . 334 . 18863 7 46 2 1 . . 56.716 . . 1 . 1 1 55 LEU CA . . . . . . . . . . 335 . 18863 7 47 1 1 . . 4.416 . . 1 . 1 1 56 ALA HA . . . . . . . . . . 336 . 18863 7 47 2 1 . . 54.440 . . 1 . 1 1 56 ALA CA . . . . . . . . . . 337 . 18863 7 48 1 1 . . 1.336 . . 1 . 1 1 56 ALA MB . . . . . . . . . . 338 . 18863 7 48 2 1 . . 18.832 . . 1 . 1 1 56 ALA CB . . . . . . . . . . 339 . 18863 7 49 1 1 . . 3.800 . . 1 . 1 1 58 GLY HA2 . . . . . . . . . . 340 . 18863 7 49 2 1 . . 48.116 . . 1 . 1 1 58 GLY CA . . . . . . . . . . 341 . 18863 7 50 1 1 . . 4.019 . . 1 . 1 1 59 ALA HA . . . . . . . . . . 342 . 18863 7 50 2 1 . . 55.532 . . 1 . 1 1 59 ALA CA . . . . . . . . . . 343 . 18863 7 51 1 1 . . 1.354 . . 1 . 1 1 59 ALA MB . . . . . . . . . . 344 . 18863 7 51 2 1 . . 19.857 . . 1 . 1 1 59 ALA CB . . . . . . . . . . 345 . 18863 7 52 1 1 . . 4.083 . . 1 . 1 1 60 ALA HA . . . . . . . . . . 346 . 18863 7 52 2 1 . . 56.082 . . 1 . 1 1 60 ALA CA . . . . . . . . . . 347 . 18863 7 53 1 1 . . 4.254 . . 1 . 1 1 61 TYR HA . . . . . . . . . . 348 . 18863 7 53 2 1 . . 62.285 . . 1 . 1 1 61 TYR CA . . . . . . . . . . 349 . 18863 7 54 1 1 . . 3.937 . . 1 . 1 1 62 ALA HA . . . . . . . . . . 350 . 18863 7 54 2 1 . . 56.209 . . 1 . 1 1 62 ALA CA . . . . . . . . . . 351 . 18863 7 55 1 1 . . 4.190 . . 1 . 1 1 63 PHE HA . . . . . . . . . . 352 . 18863 7 55 2 1 . . 61.784 . . 1 . 1 1 63 PHE CA . . . . . . . . . . 353 . 18863 7 56 1 1 . . 4.344 . . 1 . 1 1 64 TYR HA . . . . . . . . . . 354 . 18863 7 56 2 1 . . 61.385 . . 1 . 1 1 64 TYR CA . . . . . . . . . . 355 . 18863 7 57 1 1 . . 3.684 . . 1 . 1 1 65 GLY HA3 . . . . . . . . . . 356 . 18863 7 57 2 2 . . 47.395 . . 1 . 1 1 65 GLY CA . . . . . . . . . . 172 . 18863 7 58 1 1 . . 2.062 . . 1 . 1 1 66 VAL HB . . . . . . . . . . 358 . 18863 7 58 2 1 . . 34.092 . . 1 . 1 1 66 VAL CB . . . . . . . . . . 359 . 18863 7 59 1 2 . . 3.975 . . 1 . 1 1 40 SER HB3 . . . . . . . . . . 407 . 18863 7 59 2 2 . . 64.970 . . 1 . 1 1 40 SER CB . . . . . . . . . . 310 . 18863 7 60 1 1 . . 4.503 . . 1 . 1 1 67 TRP HA . . . . . . . . . . 362 . 18863 7 60 2 1 . . 62.867 . . 1 . 1 1 67 TRP CA . . . . . . . . . . 363 . 18863 7 61 1 1 . . 3.224 . . 1 . 1 1 67 TRP HB2 . . . . . . . . . . 364 . 18863 7 61 2 1 . . 29.038 . . 1 . 1 1 67 TRP CB . . . . . . . . . . 365 . 18863 7 62 1 3 . . 3.959 . . 1 . 1 1 69 LEU HA . . . . . . . . . . 366 . 18863 7 62 2 3 . . 59.172 . . 1 . 1 1 69 LEU CA . . . . . . . . . . 367 . 18863 7 63 1 1 . . 1.629 . . 1 . 1 1 68 PRO HB3 . . . . . . . . . . 691 . 18863 7 63 2 1 . . 32.707 . . 1 . 1 1 68 PRO CB . . . . . . . . . . 690 . 18863 7 64 1 1 . . 3.905 . . 1 . 1 1 70 LEU HA . . . . . . . . . . 370 . 18863 7 64 2 1 . . 59.689 . . 1 . 1 1 70 LEU CA . . . . . . . . . . 371 . 18863 7 65 1 1 . . 4.176 . . 1 . 1 1 75 ALA HA . . . . . . . . . . 374 . 18863 7 65 2 2 . . 54.385 . . 1 . 1 1 75 ALA CA . . . . . . . . . . 221 . 18863 7 66 1 1 . . 1.388 . . 1 . 1 1 75 ALA MB . . . . . . . . . . 376 . 18863 7 66 2 1 . . 20.595 . . 1 . 1 1 75 ALA CB . . . . . . . . . . 377 . 18863 7 67 1 1 . . 4.160 . . 1 . 1 1 81 TYR HA . . . . . . . . . . 378 . 18863 7 67 2 2 . . 61.566 . . 1 . 1 1 81 TYR CA . . . . . . . . . . 211 . 18863 7 68 1 1 . . 3.994 . . 1 . 1 1 30 ALA HA . . . . . . . . . . 289 . 18863 7 68 2 1 . . 56.966 . . 1 . 1 1 30 ALA CA . . . . . . . . . . 202 . 18863 7 69 1 1 . . 1.450 . . 1 . 1 1 30 ALA MB . . . . . . . . . . 380 . 18863 7 69 2 1 . . 19.302 . . 1 . 1 1 30 ALA CB . . . . . . . . . . 381 . 18863 7 70 1 1 . . 1.029 . . 1 . 1 1 32 VAL MG1 . . . . . . . . . . 382 . 18863 7 70 2 1 . . 24.305 . . 1 . 1 1 32 VAL CG1 . . . . . . . . . . 383 . 18863 7 71 1 1 . . 0.879 . . 1 . 1 1 32 VAL MG2 . . . . . . . . . . 384 . 18863 7 71 2 1 . . 22.725 . . 1 . 1 1 32 VAL CG2 . . . . . . . . . . 385 . 18863 7 72 1 1 . . 1.455 . . 1 . 1 1 33 ALA MB . . . . . . . . . . 386 . 18863 7 72 2 1 . . 19.488 . . 1 . 1 1 33 ALA CB . . . . . . . . . . 387 . 18863 7 73 1 2 . . 3.808 . . 1 . 1 1 34 GLY HA2 . . . . . . . . . . 298 . 18863 7 73 2 1 . . 48.454 . . 1 . 1 1 34 GLY CA . . . . . . . . . . 299 . 18863 7 74 1 1 . . 1.488 . . 1 . 1 1 35 ALA MB . . . . . . . . . . 389 . 18863 7 74 2 1 . . 19.276 . . 1 . 1 1 35 ALA CB . . . . . . . . . . 390 . 18863 7 75 1 1 . . 3.924 . . 1 . 1 1 37 GLY HA3 . . . . . . . . . . 391 . 18863 7 75 2 1 . . 48.869 . . 1 . 1 1 37 GLY CA . . . . . . . . . . 178 . 18863 7 76 1 1 . . 1.740 . . 1 . 1 1 38 ILE HG12 . . . . . . . . . . 392 . 18863 7 76 2 1 . . 30.963 . . 1 . 1 1 38 ILE CG1 . . . . . . . . . . 393 . 18863 7 77 1 1 . . 1.144 . . 1 . 1 1 38 ILE HG13 . . . . . . . . . . 394 . 18863 7 77 2 2 . . 30.847 . . 1 . 1 1 38 ILE CG1 . . . . . . . . . . 393 . 18863 7 78 1 1 . . 0.800 . . 1 . 1 1 38 ILE MD . . . . . . . . . . 396 . 18863 7 78 2 1 . . 14.173 . . 1 . 1 1 38 ILE CD1 . . . . . . . . . . 397 . 18863 7 79 1 1 . . 1.708 . . 1 . 1 1 39 LEU HB3 . . . . . . . . . . 400 . 18863 7 79 2 1 . . 43.317 . . 1 . 1 1 39 LEU CB . . . . . . . . . . 307 . 18863 7 80 1 1 . . 1.747 . . 1 . 1 1 39 LEU HG . . . . . . . . . . 401 . 18863 7 80 2 1 . . 28.687 . . 1 . 1 1 39 LEU CG . . . . . . . . . . 402 . 18863 7 81 1 1 . . 0.877 . . 1 . 1 1 39 LEU MD1 . . . . . . . . . . 403 . 18863 7 81 2 1 . . 25.496 . . 1 . 1 1 39 LEU CD1 . . . . . . . . . . 404 . 18863 7 82 1 1 . . 0.829 . . 1 . 1 1 39 LEU MD2 . . . . . . . . . . 405 . 18863 7 82 2 1 . . 25.496 . . 1 . 1 1 39 LEU CD2 . . . . . . . . . . 406 . 18863 7 83 1 1 . . 4.030 . . 1 . 1 1 47 ALA HA . . . . . . . . . . 408 . 18863 7 83 2 1 . . 56.934 . . 1 . 1 1 47 ALA CA . . . . . . . . . . 219 . 18863 7 84 1 1 . . 1.475 . . 1 . 1 1 47 ALA MB . . . . . . . . . . 409 . 18863 7 84 2 1 . . 19.367 . . 1 . 1 1 47 ALA CB . . . . . . . . . . 410 . 18863 7 86 1 1 . . 1.397 . . 1 . 1 1 48 ALA MB . . . . . . . . . . 412 . 18863 7 86 2 1 . . 19.132 . . 1 . 1 1 48 ALA CB . . . . . . . . . . 413 . 18863 7 87 1 1 . . 3.175 . . 1 . 1 1 49 TRP HB2 . . . . . . . . . . 414 . 18863 7 87 2 1 . . 30.632 . . 1 . 1 1 49 TRP CB . . . . . . . . . . 415 . 18863 7 88 1 1 . . 2.884 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 7 88 2 1 . . 30.554 . . 1 . 1 1 49 TRP CB . . . . . . . . . . 415 . 18863 7 89 1 2 . . 3.104 . . 1 . 1 1 50 TYR HB2 . . . . . . . . . . 419 . 18863 7 89 2 1 . . 39.845 . . 1 . 1 1 50 TYR CB . . . . . . . . . . 418 . 18863 7 90 1 1 . . 2.943 . . 1 . . . . . . . . . . . . . . . . 420 . 18863 7 90 2 1 . . 38.707 . . 1 . . . . . . . . . . . . . . . . 421 . 18863 7 91 1 1 . . 3.471 . . 1 . 1 1 53 GLY HA2 . . . . . . . . . . 422 . 18863 7 91 2 1 . . 47.977 . . 1 . 1 1 53 GLY CA . . . . . . . . . . 183 . 18863 7 92 1 1 . . 3.630 . . 1 . 1 1 53 GLY HA3 . . . . . . . . . . 424 . 18863 7 92 2 1 . . 47.959 . . 1 . 1 1 53 GLY CA . . . . . . . . . . 183 . 18863 7 93 1 4 . . 3.775 . . 1 . 1 1 58 GLY HA3 . . . . . . . . . . 430 . 18863 7 93 2 1 . . 48.119 . . 1 . 1 1 58 GLY CA . . . . . . . . . . 341 . 18863 7 94 1 6 . . 3.788 . . 1 . 1 1 34 GLY HA3 . . . . . . . . . . 485 . 18863 7 94 2 1 . . 48.442 . . 1 . 1 1 34 GLY CA . . . . . . . . . . 299 . 18863 7 95 1 1 . . 1.370 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 431 . 18863 7 95 2 1 . . 19.895 . . 1 . 1 1 60 ALA CB . . . . . . . . . . 432 . 18863 7 96 1 1 . . 2.993 . . 1 . 1 1 61 TYR HB3 . . . . . . . . . . 433 . 18863 7 96 2 1 . . 39.846 . . 1 . 1 1 61 TYR CB . . . . . . . . . . 434 . 18863 7 97 1 1 . . 1.294 . . 1 . 1 1 62 ALA MB . . . . . . . . . . 435 . 18863 7 97 2 1 . . 19.663 . . 1 . 1 1 62 ALA CB . . . . . . . . . . 436 . 18863 7 98 1 1 . . 2.836 . . 1 . 1 1 63 PHE HB2 . . . . . . . . . . 437 . 18863 7 98 2 1 . . 40.995 . . 1 . 1 1 63 PHE CB . . . . . . . . . . 438 . 18863 7 99 1 1 . . 3.861 . . 1 . 1 1 65 GLY HA2 . . . . . . . . . . 441 . 18863 7 99 2 1 . . 47.397 . . 1 . 1 1 65 GLY CA . . . . . . . . . . 172 . 18863 7 100 1 1 . . 3.996 . . 1 . 1 1 82 ALA HA . . . . . . . . . . 442 . 18863 7 100 2 1 . . 55.487 . . 1 . 1 1 82 ALA CA . . . . . . . . . . 210 . 18863 7 101 1 1 . . 1.331 . . 1 . 1 1 82 ALA MB . . . . . . . . . . 443 . 18863 7 101 2 1 . . 19.979 . . 1 . 1 1 82 ALA CB . . . . . . . . . . 444 . 18863 7 102 1 1 . . 1.328 . . 1 . 1 1 83 ALA MB . . . . . . . . . . 445 . 18863 7 102 2 1 . . 20.147 . . 1 . 1 1 83 ALA CB . . . . . . . . . . 446 . 18863 7 103 1 1 . . 4.050 . . 1 . 1 1 83 ALA HA . . . . . . . . . . 447 . 18863 7 103 2 2 . . 55.175 . . 1 . 1 1 83 ALA CA . . . . . . . . . . 209 . 18863 7 104 1 1 . . 4.127 . . 1 . 1 1 84 ALA HA . . . . . . . . . . 449 . 18863 7 104 2 2 . . 54.524 . . 1 . 1 1 84 ALA CA . . . . . . . . . . 208 . 18863 7 105 1 1 . . 1.315 . . 1 . 1 1 84 ALA MB . . . . . . . . . . 451 . 18863 7 105 2 1 . . 20.295 . . 1 . 1 1 84 ALA CB . . . . . . . . . . 452 . 18863 7 106 1 1 . . 1.231 . . 1 . 1 1 85 ALA MB . . . . . . . . . . 453 . 18863 7 106 2 1 . . 20.425 . . 1 . 1 1 85 ALA CB . . . . . . . . . . 454 . 18863 7 107 1 1 . . 4.270 . . 1 . 1 1 85 ALA HA . . . . . . . . . . 455 . 18863 7 107 2 1 . . 53.324 . . 1 . 1 1 85 ALA CA . . . . . . . . . . 207 . 18863 7 108 1 1 . . 3.811 . . 1 . 1 1 86 SER HA . . . . . . . . . . 456 . 18863 7 108 2 1 . . 59.619 . . 1 . 1 1 86 SER CA . . . . . . . . . . 457 . 18863 7 109 1 1 . . 3.782 . . 1 . . . . . . . . . . . . . . . . 458 . 18863 7 109 2 1 . . 65.802 . . 1 . 1 1 86 SER CB . . . . . . . . . . 459 . 18863 7 110 1 1 . . 4.044 . . 1 . 1 1 80 ALA HA . . . . . . . . . . 460 . 18863 7 110 2 1 . . 55.571 . . 1 . 1 1 80 ALA CA . . . . . . . . . . 461 . 18863 7 111 1 1 . . 1.259 . . 1 . 1 1 80 ALA MB . . . . . . . . . . 462 . 18863 7 111 2 1 . . 20.255 . . 1 . 1 1 80 ALA CB . . . . . . . . . . 463 . 18863 7 112 1 1 . . 2.882 . . 1 . 1 1 81 TYR HB3 . . . . . . . . . . 464 . 18863 7 112 2 1 . . 39.904 . . 1 . 1 1 81 TYR CB . . . . . . . . . . 465 . 18863 7 113 1 1 . . 2.166 . . 1 . 1 1 22 GLU HB2 . . . . . . . . . . 466 . 18863 7 113 2 1 . . 29.526 . . 1 . 1 1 22 GLU CB . . . . . . . . . . 467 . 18863 7 114 1 1 . . 3.915 . . 1 . 1 1 22 GLU HA . . . . . . . . . . 468 . 18863 7 114 2 2 . . 60.890 . . 1 . 1 1 22 GLU CA . . . . . . . . . . 223 . 18863 7 115 1 1 . . 4.119 . . 1 . 1 1 86 SER HB2 . . . . . . . . . . 486 . 18863 7 115 2 3 . . 59.930 . . 1 . . . . . . . . . . . . . . . . 487 . 18863 7 116 1 1 . . 4.076 . . 1 . 1 1 86 SER HB3 . . . . . . . . . . 489 . 18863 7 116 2 1 . . 59.940 . . 1 . . . . . . . . . . . . . . . . 490 . 18863 7 117 1 1 . . 4.038 . . 1 . 1 1 24 LEU HA . . . . . . . . . . 584 . 18863 7 117 2 2 . . 60.105 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 232 . 18863 7 118 1 2 . . 4.398 . . 1 . 1 1 45 PHE HA . . . . . . . . . . 493 . 18863 7 118 2 1 . . 38.692 . . 1 . 1 1 45 PHE CB . . . . . . . . . . 494 . 18863 7 119 1 1 . . 1.348 . . 1 . . . . . . . . . . . . . . . . 497 . 18863 7 120 1 1 . . 1.700 . . 1 . 1 1 54 ARG HB3 . . . . . . . . . . 499 . 18863 7 120 2 3 . . 30.910 . . 1 . 1 1 54 ARG CB . . . . . . . . . . 498 . 18863 7 121 1 1 . . 4.000 . . 1 . 1 1 79 ARG HA . . . . . . . . . . 501 . 18863 7 121 2 3 . . 59.258 . . 1 . 1 1 79 ARG CA . . . . . . . . . . 213 . 18863 7 122 1 1 . . 2.033 . . 1 . 1 1 79 ARG HB2 . . . . . . . . . . 503 . 18863 7 122 2 1 . . 31.093 . . 1 . 1 1 79 ARG CB . . . . . . . . . . 504 . 18863 7 123 1 1 . . 1.933 . . 1 . 1 1 79 ARG HB3 . . . . . . . . . . 505 . 18863 7 123 2 2 . . 31.034 . . 1 . 1 1 79 ARG CB . . . . . . . . . . 504 . 18863 7 124 1 1 . . 3.985 . . 1 . 1 1 46 CYS HA . . . . . . . . . . 507 . 18863 7 124 2 1 . . 60.713 . . 1 . . . . . . . . . . . . . . . . 508 . 18863 7 125 1 1 . . 2.646 . . 1 . 1 1 46 CYS HB2 . . . . . . . . . . 509 . 18863 7 125 2 1 . . 33.904 . . 1 . 1 1 46 CYS CB . . . . . . . . . . 510 . 18863 7 126 1 1 . . 2.524 . . 1 . 1 1 46 CYS HB3 . . . . . . . . . . 511 . 18863 7 126 2 2 . . 33.944 . . 1 . 1 1 46 CYS CB . . . . . . . . . . 510 . 18863 7 127 1 1 . . 1.411 . . 1 . 1 1 20 ALA MB . . . . . . . . . . 245 . 18863 7 127 2 1 . . 19.302 . . 1 . 1 1 20 ALA CB . . . . . . . . . . 246 . 18863 7 128 1 1 . . 1.872 . . 1 . 1 1 24 LEU HB2 . . . . . . . . . . 601 . 18863 7 128 2 1 . . 43.582 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 600 . 18863 7 129 1 1 . . 1.816 . . 1 . 1 1 24 LEU HB3 . . . . . . . . . . 602 . 18863 7 129 2 1 . . 43.616 . . 1 . 1 1 24 LEU CB . . . . . . . . . . 600 . 18863 7 130 1 1 . . 1.705 . . 1 . 1 1 24 LEU HG . . . . . . . . . . 603 . 18863 7 130 2 1 . . 28.642 . . 1 . 1 1 24 LEU CG . . . . . . . . . . 604 . 18863 7 131 1 1 . . 0.879 . . 1 . 1 1 24 LEU MD1 . . . . . . . . . . 605 . 18863 7 131 2 1 . . 25.335 . . 1 . 1 1 24 LEU CD1 . . . . . . . . . . 606 . 18863 7 132 1 1 . . 0.831 . . 1 . 1 1 24 LEU MD2 . . . . . . . . . . 607 . 18863 7 132 2 1 . . 25.302 . . 1 . 1 1 24 LEU CD2 . . . . . . . . . . 608 . 18863 7 133 1 1 . . 4.028 . . 1 . 1 1 24 LEU HA . . . . . . . . . . 584 . 18863 7 133 2 1 . . 59.885 . . 1 . 1 1 24 LEU CA . . . . . . . . . . 232 . 18863 7 134 1 1 . . 1.635 . . 1 . 1 1 27 LEU HB3 . . . . . . . . . . 611 . 18863 7 134 2 1 . . 43.438 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 610 . 18863 7 135 1 1 . . 1.787 . . 1 . 1 1 27 LEU HB2 . . . . . . . . . . 609 . 18863 7 135 2 1 . . 43.421 . . 1 . 1 1 27 LEU CB . . . . . . . . . . 610 . 18863 7 136 1 2 . . 1.617 . . 1 . 1 1 27 LEU HG . . . . . . . . . . 618 . 18863 7 136 2 1 . . 28.853 . . 1 . 1 1 27 LEU CG . . . . . . . . . . 613 . 18863 7 137 1 1 . . 0.862 . . 1 . 1 1 27 LEU MD1 . . . . . . . . . . 614 . 18863 7 137 2 1 . . 25.318 . . 1 . 1 1 27 LEU CD1 . . . . . . . . . . 615 . 18863 7 138 1 1 . . 0.808 . . 1 . 1 1 27 LEU MD2 . . . . . . . . . . 616 . 18863 7 138 2 1 . . 25.305 . . 1 . 1 1 27 LEU CD2 . . . . . . . . . . 617 . 18863 7 139 1 1 . . 2.624 . . 1 . 1 1 28 ASN HB3 . . . . . . . . . . 619 . 18863 7 139 2 1 . . 40.436 . . 1 . 1 1 28 ASN CB . . . . . . . . . . 271 . 18863 7 140 1 1 . . 3.363 . . 1 . 1 1 36 HIS HB3 . . . . . . . . . . 620 . 18863 7 140 2 1 . . 29.626 . . 1 . 1 1 36 HIS CB . . . . . . . . . . 295 . 18863 7 141 1 1 . . 4.239 . . 1 . 1 1 41 PHE HA . . . . . . . . . . 621 . 18863 7 141 2 1 . . 63.702 . . 1 . 1 1 41 PHE CA . . . . . . . . . . 188 . 18863 7 142 1 1 . . 3.265 . . 1 . 1 1 41 PHE HB2 . . . . . . . . . . 622 . 18863 7 142 2 1 . . 40.550 . . 1 . 1 1 41 PHE CB . . . . . . . . . . 623 . 18863 7 143 1 1 . . 3.225 . . 1 . 1 1 41 PHE HB3 . . . . . . . . . . 624 . 18863 7 143 2 1 . . 40.587 . . 1 . 1 1 41 PHE CB . . . . . . . . . . 623 . 18863 7 144 1 1 . . 4.055 . . 1 . 1 1 42 LEU HA . . . . . . . . . . 629 . 18863 7 144 2 1 . . 60.122 . . 1 . 1 1 42 LEU CA . . . . . . . . . . 218 . 18863 7 146 1 2 . . 3.111 . . 1 . 1 1 50 TYR HB2 . . . . . . . . . . 419 . 18863 7 146 2 1 . . 39.893 . . 1 . 1 1 50 TYR CB . . . . . . . . . . 418 . 18863 7 147 1 1 . . 3.079 . . 1 . 1 1 50 TYR HB3 . . . . . . . . . . 632 . 18863 7 147 2 1 . . 39.857 . . 1 . 1 1 50 TYR CB . . . . . . . . . . 418 . 18863 7 148 1 1 . . 1.732 . . 1 . 1 1 54 ARG HB2 . . . . . . . . . . 637 . 18863 7 148 2 1 . . 30.830 . . 1 . 1 1 54 ARG CB . . . . . . . . . . 498 . 18863 7 149 1 1 . . 1.552 . . 1 . 1 1 54 ARG HG2 . . . . . . . . . . 638 . 18863 7 149 2 1 . . 26.685 . . 1 . 1 1 54 ARG CG . . . . . . . . . . 639 . 18863 7 150 1 1 . . 1.428 . . 1 . 1 1 54 ARG HG3 . . . . . . . . . . 640 . 18863 7 150 2 1 . . 26.715 . . 1 . 1 1 54 ARG CG . . . . . . . . . . 639 . 18863 7 151 1 1 . . 2.911 . . 1 . 1 1 54 ARG HD2 . . . . . . . . . . 641 . 18863 7 151 2 1 . . 43.598 . . 1 . 1 1 54 ARG CD . . . . . . . . . . 642 . 18863 7 152 1 1 . . 2.878 . . 1 . 1 1 54 ARG HD3 . . . . . . . . . . 643 . 18863 7 152 2 1 . . 43.562 . . 1 . 1 1 54 ARG CD . . . . . . . . . . 642 . 18863 7 153 1 1 . . 1.541 . . 1 . 1 1 55 LEU HB2 . . . . . . . . . . 644 . 18863 7 153 2 1 . . 44.213 . . 1 . 1 1 55 LEU CB . . . . . . . . . . 645 . 18863 7 154 1 1 . . 1.519 . . 1 . 1 1 55 LEU HB3 . . . . . . . . . . 646 . 18863 7 154 2 1 . . 44.195 . . 1 . 1 1 55 LEU CB . . . . . . . . . . 645 . 18863 7 155 1 1 . . 1.826 . . 1 . 1 1 55 LEU HG . . . . . . . . . . 647 . 18863 7 155 2 1 . . 28.449 . . 1 . 1 1 55 LEU CG . . . . . . . . . . 648 . 18863 7 156 1 1 . . 0.857 . . 1 . 1 1 55 LEU MD1 . . . . . . . . . . 649 . 18863 7 156 2 1 . . 26.477 . . 1 . 1 1 55 LEU CD1 . . . . . . . . . . 650 . 18863 7 157 1 1 . . 0.823 . . 1 . 1 1 55 LEU MD2 . . . . . . . . . . 651 . 18863 7 157 2 1 . . 26.441 . . 1 . 1 1 55 LEU CD2 . . . . . . . . . . 652 . 18863 7 158 1 1 . . 4.288 . . 1 . 1 1 57 PRO HA . . . . . . . . . . 653 . 18863 7 158 2 1 . . 66.899 . . 1 . 1 1 57 PRO CA . . . . . . . . . . 654 . 18863 7 159 1 1 . . 1.833 . . 1 . 1 1 57 PRO HB2 . . . . . . . . . . 655 . 18863 7 159 2 1 . . 32.855 . . 1 . 1 1 57 PRO CB . . . . . . . . . . 656 . 18863 7 160 1 1 . . 1.808 . . 1 . 1 1 57 PRO HB3 . . . . . . . . . . 657 . 18863 7 160 2 1 . . 32.855 . . 1 . 1 1 57 PRO CB . . . . . . . . . . 656 . 18863 7 161 1 1 . . 1.949 . . 1 . 1 1 57 PRO HG2 . . . . . . . . . . 658 . 18863 7 161 2 1 . . 29.415 . . 1 . 1 1 57 PRO CG . . . . . . . . . . 659 . 18863 7 162 1 1 . . 1.928 . . 1 . 1 1 57 PRO HG3 . . . . . . . . . . 660 . 18863 7 162 2 1 . . 29.379 . . 1 . 1 1 57 PRO CG . . . . . . . . . . 659 . 18863 7 163 1 1 . . 3.539 . . 1 . 1 1 57 PRO HD2 . . . . . . . . . . 661 . 18863 7 163 2 1 . . 51.654 . . 1 . 1 1 57 PRO CD . . . . . . . . . . 662 . 18863 7 164 1 1 . . 3.527 . . 1 . 1 1 57 PRO HD3 . . . . . . . . . . 663 . 18863 7 164 2 1 . . 51.618 . . 1 . 1 1 57 PRO CD . . . . . . . . . . 662 . 18863 7 165 1 1 . . 3.038 . . 1 . 1 1 61 TYR HB2 . . . . . . . . . . 664 . 18863 7 165 2 1 . . 39.870 . . 1 . 1 1 61 TYR CB . . . . . . . . . . 434 . 18863 7 166 1 1 . . 2.824 . . 1 . 1 1 63 PHE HB3 . . . . . . . . . . 669 . 18863 7 166 2 1 . . 41.012 . . 1 . 1 1 63 PHE CB . . . . . . . . . . 438 . 18863 7 167 1 1 . . 2.921 . . 1 . 1 1 64 TYR HB2 . . . . . . . . . . 676 . 18863 7 167 2 1 . . 40.193 . . 1 . 1 1 64 TYR CB . . . . . . . . . . 440 . 18863 7 168 1 1 . . 2.896 . . 1 . 1 1 64 TYR HB3 . . . . . . . . . . 677 . 18863 7 168 2 1 . . 40.193 . . 1 . 1 1 64 TYR CB . . . . . . . . . . 440 . 18863 7 169 1 1 . . 4.008 . . 1 . 1 1 66 VAL HA . . . . . . . . . . 360 . 18863 7 169 2 1 . . 64.969 . . 1 . 1 1 66 VAL CA . . . . . . . . . . 361 . 18863 7 170 1 1 . . 0.832 . . 1 . 1 1 66 VAL MG1 . . . . . . . . . . 682 . 18863 7 170 2 1 . . 22.346 . . 1 . 1 1 66 VAL CG1 . . . . . . . . . . 683 . 18863 7 171 1 1 . . 0.810 . . 1 . 1 1 66 VAL MG2 . . . . . . . . . . 684 . 18863 7 171 2 1 . . 22.321 . . 1 . 1 1 66 VAL CG2 . . . . . . . . . . 685 . 18863 7 172 1 1 . . 3.217 . . 1 . 1 1 67 TRP HB3 . . . . . . . . . . 686 . 18863 7 172 2 1 . . 29.079 . . 1 . 1 1 67 TRP CB . . . . . . . . . . 365 . 18863 7 173 1 1 . . 3.990 . . 1 . 1 1 68 PRO HA . . . . . . . . . . 687 . 18863 7 173 2 1 . . 67.827 . . 1 . 1 1 68 PRO CA . . . . . . . . . . 688 . 18863 7 174 1 1 . . 1.647 . . 1 . 1 1 68 PRO HB2 . . . . . . . . . . 689 . 18863 7 174 2 1 . . 32.717 . . 1 . 1 1 68 PRO CB . . . . . . . . . . 690 . 18863 7 175 1 1 . . 1.685 . . 1 . 1 1 69 LEU HB2 . . . . . . . . . . 692 . 18863 7 175 2 1 . . 43.252 . . 1 . 1 1 69 LEU CB . . . . . . . . . . 693 . 18863 7 176 1 1 . . 1.661 . . 1 . 1 1 69 LEU HB3 . . . . . . . . . . 694 . 18863 7 176 2 1 . . 43.239 . . 1 . 1 1 69 LEU CB . . . . . . . . . . 693 . 18863 7 177 1 1 . . 1.642 . . 1 . 1 1 69 LEU HG . . . . . . . . . . 695 . 18863 7 177 2 1 . . 28.640 . . 1 . 1 1 69 LEU CG . . . . . . . . . . 696 . 18863 7 178 1 1 . . 0.848 . . 1 . 1 1 69 LEU MD1 . . . . . . . . . . 697 . 18863 7 178 2 1 . . 25.734 . . 1 . 1 1 69 LEU CD1 . . . . . . . . . . 698 . 18863 7 179 1 1 . . 0.809 . . 1 . 1 1 69 LEU MD2 . . . . . . . . . . 699 . 18863 7 179 2 1 . . 25.685 . . 1 . 1 1 69 LEU CD2 . . . . . . . . . . 700 . 18863 7 180 1 1 . . 1.590 . . 1 . 1 1 70 LEU HB2 . . . . . . . . . . 701 . 18863 7 180 2 1 . . 43.173 . . 1 . 1 1 70 LEU CB . . . . . . . . . . 592 . 18863 7 181 1 1 . . 1.554 . . 1 . 1 1 70 LEU HB3 . . . . . . . . . . 702 . 18863 7 181 2 1 . . 43.148 . . 1 . 1 1 70 LEU CB . . . . . . . . . . 592 . 18863 7 182 1 1 . . 4.015 . . 1 . 1 1 71 LEU HA . . . . . . . . . . 703 . 18863 7 182 2 1 . . 59.504 . . 1 . 1 1 71 LEU CA . . . . . . . . . . 589 . 18863 7 183 1 1 . . 1.801 . . 1 . 1 1 71 LEU HB2 . . . . . . . . . . 704 . 18863 7 183 2 1 . . 43.264 . . 1 . 1 1 71 LEU CB . . . . . . . . . . 591 . 18863 7 184 1 1 . . 1.652 . . 1 . 1 1 71 LEU HB3 . . . . . . . . . . 705 . 18863 7 184 2 1 . . 43.188 . . 1 . 1 1 71 LEU CB . . . . . . . . . . 591 . 18863 7 185 1 1 . . 3.964 . . 1 . 1 1 72 LEU HA . . . . . . . . . . 706 . 18863 7 185 2 1 . . 59.485 . . 1 . 1 1 72 LEU CA . . . . . . . . . . 588 . 18863 7 186 1 1 . . 1.711 . . 1 . 1 1 72 LEU HB2 . . . . . . . . . . 707 . 18863 7 186 2 1 . . 43.479 . . 1 . 1 1 72 LEU CB . . . . . . . . . . 590 . 18863 7 187 1 1 . . 1.677 . . 1 . 1 1 72 LEU HB3 . . . . . . . . . . 708 . 18863 7 187 2 1 . . 43.479 . . 1 . 1 1 72 LEU CB . . . . . . . . . . 590 . 18863 7 188 1 1 . . 4.000 . . 1 . 1 1 73 LEU HA . . . . . . . . . . 709 . 18863 7 188 2 1 . . 59.384 . . 1 . 1 1 73 LEU CA . . . . . . . . . . 586 . 18863 7 189 1 1 . . 1.857 . . 1 . 1 1 73 LEU HB2 . . . . . . . . . . 710 . 18863 7 189 2 1 . . 43.505 . . 1 . 1 1 73 LEU CB . . . . . . . . . . 587 . 18863 7 190 1 1 . . 1.841 . . 1 . 1 1 73 LEU HB3 . . . . . . . . . . 711 . 18863 7 190 2 1 . . 43.479 . . 1 . 1 1 73 LEU CB . . . . . . . . . . 587 . 18863 7 191 1 1 . . 4.064 . . 1 . 1 1 74 LEU HA . . . . . . . . . . 712 . 18863 7 191 2 1 . . 58.111 . . 1 . 1 1 74 LEU CA . . . . . . . . . . 234 . 18863 7 192 1 1 . . 1.831 . . 1 . 1 1 74 LEU HB2 . . . . . . . . . . 713 . 18863 7 192 2 1 . . 43.779 . . 1 . 1 1 74 LEU CB . . . . . . . . . . 593 . 18863 7 193 1 1 . . 1.442 . . 1 . 1 1 74 LEU HB3 . . . . . . . . . . 714 . 18863 7 193 2 1 . . 43.741 . . 1 . 1 1 74 LEU CB . . . . . . . . . . 593 . 18863 7 194 1 1 . . 1.815 . . 1 . 1 1 74 LEU HG . . . . . . . . . . 715 . 18863 7 194 2 1 . . 28.406 . . 1 . 1 1 74 LEU CG . . . . . . . . . . 716 . 18863 7 195 1 1 . . 0.803 . . 1 . 1 1 74 LEU MD1 . . . . . . . . . . 717 . 18863 7 195 2 1 . . 26.531 . . 1 . 1 1 74 LEU CD1 . . . . . . . . . . 718 . 18863 7 196 1 1 . . 0.785 . . 1 . 1 1 74 LEU MD2 . . . . . . . . . . 719 . 18863 7 196 2 1 . . 24.212 . . 1 . 1 1 74 LEU CD2 . . . . . . . . . . 720 . 18863 7 197 1 1 . . 2.982 . . 1 . 1 1 81 TYR HB2 . . . . . . . . . . 721 . 18863 7 197 2 1 . . 39.893 . . 1 . 1 1 81 TYR CB . . . . . . . . . . 465 . 18863 7 198 1 1 . . 0.920 . . 1 . 1 1 38 ILE MG . . . . . . . . . . 398 . 18863 7 198 2 1 . . 18.627 . . 1 . 1 1 38 ILE CG2 . . . . . . . . . . 399 . 18863 7 199 1 1 . . 0.809 . . 1 . 1 1 51 ILE MG . . . . . . . . . . 728 . 18863 7 199 2 1 . . 18.737 . . 1 . 1 1 51 ILE CG2 . . . . . . . . . . 729 . 18863 7 200 1 1 . . 3.991 . . 1 . 1 1 31 SER HB2 . . . . . . . . . . 278 . 18863 7 200 2 1 . . 64.723 . . 1 . 1 1 31 SER CB . . . . . . . . . . 279 . 18863 7 201 1 1 . . 3.045 . . 1 . 1 1 44 PHE HB2 . . . . . . . . . . 742 . 18863 7 201 2 1 . . 39.376 . . 1 . 1 1 44 PHE CB . . . . . . . . . . 322 . 18863 7 202 1 1 . . 3.031 . . 1 . 1 1 44 PHE HB3 . . . . . . . . . . 743 . 18863 7 202 2 1 . . 39.415 . . 1 . 1 1 44 PHE CB . . . . . . . . . . 322 . 18863 7 203 1 1 . . 4.391 . . 1 . 1 1 45 PHE HA . . . . . . . . . . 493 . 18863 7 203 2 1 . . 57.726 . . 1 . 1 1 45 PHE CA . . . . . . . . . . 215 . 18863 7 204 1 1 . . 3.084 . . 1 . 1 1 45 PHE HB2 . . . . . . . . . . 744 . 18863 7 204 2 1 . . 38.704 . . 1 . 1 1 45 PHE CB . . . . . . . . . . 494 . 18863 7 205 1 1 . . 2.733 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 7 205 2 1 . . 38.704 . . 1 . 1 1 45 PHE CB . . . . . . . . . . 494 . 18863 7 206 1 1 . . 1.759 . . 1 . 1 1 76 LEU HB2 . . . . . . . . . . 746 . 18863 7 206 2 1 . . 43.266 . . 1 . 1 1 76 LEU CB . . . . . . . . . . 747 . 18863 7 207 1 1 . . 1.461 . . 1 . 1 1 76 LEU HB3 . . . . . . . . . . 748 . 18863 7 207 2 1 . . 43.305 . . 1 . 1 1 76 LEU CB . . . . . . . . . . 747 . 18863 7 208 1 1 . . 4.287 . . 1 . 1 1 78 PRO HA . . . . . . . . . . 751 . 18863 7 208 2 1 . . 66.774 . . 1 . 1 1 78 PRO CA . . . . . . . . . . 752 . 18863 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 18863 _Spectral_peak_list.ID 8 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $methanol_H _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 15 _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 '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 . . 3210.571 . . . . . . . 18863 8 2 . . H 1 1H . . 8250.825 . . . . . . . 18863 8 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 8 2 1.0 . . 18863 8 3 1.0 . . 18863 8 4 1.0 . . 18863 8 5 1.0 . . 18863 8 6 1.0 . . 18863 8 7 1.0 . . 18863 8 8 1.0 . . 18863 8 9 1.0 . . 18863 8 10 1.0 . . 18863 8 11 1.0 . . 18863 8 12 1.0 . . 18863 8 13 1.0 . . 18863 8 14 1.0 . . 18863 8 15 1.0 . . 18863 8 16 1.0 . . 18863 8 17 1.0 . . 18863 8 18 1.0 . . 18863 8 19 1.0 . . 18863 8 20 1.0 . . 18863 8 21 1.0 . . 18863 8 22 1.0 . . 18863 8 23 1.0 . . 18863 8 24 1.0 . . 18863 8 25 1.0 . . 18863 8 26 1.0 . . 18863 8 27 1.0 . . 18863 8 28 1.0 . . 18863 8 29 1.0 . . 18863 8 30 1.0 . . 18863 8 31 1.0 . . 18863 8 32 1.0 . . 18863 8 33 1.0 . . 18863 8 34 1.0 . . 18863 8 35 1.0 . . 18863 8 36 1.0 . . 18863 8 37 1.0 . . 18863 8 38 1.0 . . 18863 8 39 1.0 . . 18863 8 40 1.0 . . 18863 8 41 1.0 . . 18863 8 42 1.0 . . 18863 8 43 1.0 . . 18863 8 44 1.0 . . 18863 8 45 1.0 . . 18863 8 46 1.0 . . 18863 8 47 1.0 . . 18863 8 48 1.0 . . 18863 8 49 1.0 . . 18863 8 50 1.0 . . 18863 8 51 1.0 . . 18863 8 52 1.0 . . 18863 8 53 1.0 . . 18863 8 54 1.0 . . 18863 8 55 1.0 . . 18863 8 56 1.0 . . 18863 8 57 1.0 . . 18863 8 58 1.0 . . 18863 8 59 1.0 . . 18863 8 60 1.0 . . 18863 8 61 1.0 . . 18863 8 62 1.0 . . 18863 8 63 1.0 . . 18863 8 64 1.0 . . 18863 8 65 1.0 . . 18863 8 66 1.0 . . 18863 8 67 1.0 . . 18863 8 68 1.0 . . 18863 8 69 1.0 . . 18863 8 70 1.0 . . 18863 8 71 1.0 . . 18863 8 72 1.0 . . 18863 8 73 1.0 . . 18863 8 74 1.0 . . 18863 8 75 1.0 . . 18863 8 76 1.0 . . 18863 8 77 1.0 . . 18863 8 78 1.0 . . 18863 8 79 1.0 . . 18863 8 80 1.0 . . 18863 8 81 1.0 . . 18863 8 82 1.0 . . 18863 8 83 1.0 . . 18863 8 84 1.0 . . 18863 8 85 1.0 . . 18863 8 86 1.0 . . 18863 8 87 1.0 . . 18863 8 88 1.0 . . 18863 8 89 1.0 . . 18863 8 90 1.0 . . 18863 8 91 1.0 . . 18863 8 92 1.0 . . 18863 8 93 1.0 . . 18863 8 94 1.0 . . 18863 8 95 1.0 . . 18863 8 96 1.0 . . 18863 8 97 1.0 . . 18863 8 98 1.0 . . 18863 8 99 1.0 . . 18863 8 100 1.0 . . 18863 8 101 1.0 . . 18863 8 102 1.0 . . 18863 8 103 1.0 . . 18863 8 104 1.0 . . 18863 8 105 1.0 . . 18863 8 106 1.0 . . 18863 8 107 1.0 . . 18863 8 108 1.0 . . 18863 8 109 1.0 . . 18863 8 110 1.0 . . 18863 8 111 1.0 . . 18863 8 112 1.0 . . 18863 8 113 1.0 . . 18863 8 114 1.0 . . 18863 8 115 1.0 . . 18863 8 116 1.0 . . 18863 8 117 1.0 . . 18863 8 118 1.0 . . 18863 8 119 1.0 . . 18863 8 120 1.0 . . 18863 8 121 1.0 . . 18863 8 122 1.0 . . 18863 8 123 1.0 . . 18863 8 124 1.0 . . 18863 8 125 1.0 . . 18863 8 126 1.0 . . 18863 8 127 1.0 . . 18863 8 128 1.0 . . 18863 8 129 1.0 . . 18863 8 130 1.0 . . 18863 8 131 1.0 . . 18863 8 132 1.0 . . 18863 8 133 1.0 . . 18863 8 134 1.0 . . 18863 8 135 1.0 . . 18863 8 136 1.0 . . 18863 8 137 1.0 . . 18863 8 138 1.0 . . 18863 8 139 1.0 . . 18863 8 140 1.0 . . 18863 8 141 1.0 . . 18863 8 142 1.0 . . 18863 8 143 1.0 . . 18863 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 4356881.5000 . height 18863 8 1 34134530.5000 . volume 18863 8 2 2292102.2500 . height 18863 8 2 13063326.0547 . volume 18863 8 3 7753193.0000 . height 18863 8 3 50018933.0000 . volume 18863 8 4 13270291.0000 . height 18863 8 4 94495318.0000 . volume 18863 8 5 12431082.0000 . height 18863 8 5 92431995.0000 . volume 18863 8 6 5667473.0000 . height 18863 8 6 47515680.5000 . volume 18863 8 7 8054366.0000 . height 18863 8 7 60793506.5000 . volume 18863 8 8 9187022.0000 . height 18863 8 8 68410139.0000 . volume 18863 8 9 6111700.0000 . height 18863 8 9 47045994.0000 . volume 18863 8 10 3830489.2500 . height 18863 8 10 29680121.7500 . volume 18863 8 11 22832394.0000 . height 18863 8 11 181072582.0000 . volume 18863 8 12 4261332.0000 . height 18863 8 12 31636684.2500 . volume 18863 8 13 6743682.5000 . height 18863 8 13 52607786.5000 . volume 18863 8 14 4311731.0000 . height 18863 8 14 29944981.0000 . volume 18863 8 15 4387904.5000 . height 18863 8 15 31453805.5000 . volume 18863 8 16 3577795.0000 . height 18863 8 16 23505844.6250 . volume 18863 8 17 2920210.0000 . height 18863 8 17 17697494.1250 . volume 18863 8 18 5175378.0000 . height 18863 8 18 39621448.2500 . volume 18863 8 19 6997123.5000 . height 18863 8 19 44760572.5000 . volume 18863 8 20 8119389.5000 . height 18863 8 20 66224341.5000 . volume 18863 8 21 4247664.5000 . height 18863 8 21 34797460.0000 . volume 18863 8 22 2226632.0000 . height 18863 8 22 15779941.0000 . volume 18863 8 23 2028335.8750 . height 18863 8 23 12359019.8125 . volume 18863 8 24 5806566.0000 . height 18863 8 24 40111015.7500 . volume 18863 8 25 6667117.5000 . height 18863 8 25 43371773.0000 . volume 18863 8 26 9253503.0000 . height 18863 8 26 72380255.5000 . volume 18863 8 27 7281559.5000 . height 18863 8 27 57235638.0000 . volume 18863 8 28 11900953.0000 . height 18863 8 28 85133853.0000 . volume 18863 8 29 6160317.5000 . height 18863 8 29 48356030.5000 . volume 18863 8 30 3954617.2500 . height 18863 8 30 31241772.5000 . volume 18863 8 31 2312651.2500 . height 18863 8 31 18001942.1250 . volume 18863 8 32 3022813.2500 . height 18863 8 32 24686360.5000 . volume 18863 8 33 2591741.7500 . height 18863 8 33 21295878.3750 . volume 18863 8 34 14688561.0000 . height 18863 8 34 109021500.0000 . volume 18863 8 35 10357873.0000 . height 18863 8 35 87534369.0000 . volume 18863 8 36 2730030.5000 . height 18863 8 36 22635038.5000 . volume 18863 8 37 3923249.7500 . height 18863 8 37 29738992.7500 . volume 18863 8 38 3696820.2500 . height 18863 8 38 28412335.0000 . volume 18863 8 39 4878752.0000 . height 18863 8 39 34555922.3750 . volume 18863 8 40 5352516.0000 . height 18863 8 40 34935103.7500 . volume 18863 8 41 2935609.2500 . height 18863 8 41 17966227.2500 . volume 18863 8 42 4143395.2500 . height 18863 8 42 26352935.7500 . volume 18863 8 43 2536889.5000 . height 18863 8 43 16268636.7500 . volume 18863 8 44 3504950.0000 . height 18863 8 44 24041432.5000 . volume 18863 8 45 3271799.2500 . height 18863 8 45 23526841.5000 . volume 18863 8 46 2898273.2500 . height 18863 8 46 17974315.6250 . volume 18863 8 47 2520719.7500 . height 18863 8 47 15983685.5000 . volume 18863 8 48 3020150.2500 . height 18863 8 48 18562283.5000 . volume 18863 8 49 2173012.7500 . height 18863 8 49 14157370.1875 . volume 18863 8 50 3067195.2500 . height 18863 8 50 18540811.6250 . volume 18863 8 51 1889996.2500 . height 18863 8 51 11180434.8125 . volume 18863 8 52 13732216.0000 . height 18863 8 52 88766846.5000 . volume 18863 8 53 6198845.0000 . height 18863 8 53 48371735.7500 . volume 18863 8 54 3841778.7500 . height 18863 8 54 26352890.7500 . volume 18863 8 55 18407150.0000 . height 18863 8 55 136589657.0000 . volume 18863 8 56 6660755.0000 . height 18863 8 56 53837337.0000 . volume 18863 8 57 18690644.0000 . height 18863 8 57 117795224.0000 . volume 18863 8 58 7323679.0000 . height 18863 8 58 54219313.5000 . volume 18863 8 59 7393713.5000 . height 18863 8 59 54373231.5000 . volume 18863 8 60 3035295.0000 . height 18863 8 60 22212547.3750 . volume 18863 8 61 13122214.0000 . height 18863 8 61 97793458.0000 . volume 18863 8 62 11330101.0000 . height 18863 8 62 90140647.0000 . volume 18863 8 63 14237410.0000 . height 18863 8 63 102127234.0000 . volume 18863 8 64 25741228.0000 . height 18863 8 64 191711062.0000 . volume 18863 8 65 20228514.0000 . height 18863 8 65 168716768.0000 . volume 18863 8 66 26396928.0000 . height 18863 8 66 227467212.0000 . volume 18863 8 67 6420938.5000 . height 18863 8 67 49329803.5000 . volume 18863 8 68 4184426.7500 . height 18863 8 68 29744595.0000 . volume 18863 8 69 7086534.5000 . height 18863 8 69 46309378.3750 . volume 18863 8 70 4518041.0000 . height 18863 8 70 30926527.0000 . volume 18863 8 71 2888137.5000 . height 18863 8 71 21221151.1250 . volume 18863 8 72 5334183.5000 . height 18863 8 72 40116217.2500 . volume 18863 8 73 4599917.5000 . height 18863 8 73 32747428.0000 . volume 18863 8 74 3636095.2500 . height 18863 8 74 28805066.0000 . volume 18863 8 75 2426183.2500 . height 18863 8 75 20157871.0000 . volume 18863 8 76 2880945.7500 . height 18863 8 76 19411146.3750 . volume 18863 8 77 3458923.7500 . height 18863 8 77 24127475.8750 . volume 18863 8 78 2788309.5000 . height 18863 8 78 20538180.3750 . volume 18863 8 79 9408224.0000 . height 18863 8 79 63276562.5000 . volume 18863 8 80 14160093.0000 . height 18863 8 80 109268121.0000 . volume 18863 8 81 4854547.5000 . height 18863 8 81 40442199.5000 . volume 18863 8 82 12081926.0000 . height 18863 8 82 89236216.0000 . volume 18863 8 83 2804410.0000 . height 18863 8 83 20951271.1250 . volume 18863 8 84 3613171.7500 . height 18863 8 84 24924127.8750 . volume 18863 8 85 2334847.0000 . height 18863 8 85 17829054.0000 . volume 18863 8 86 2618923.7500 . height 18863 8 86 19878091.7500 . volume 18863 8 87 11011899.0000 . height 18863 8 87 77943849.0000 . volume 18863 8 88 3575502.2500 . height 18863 8 88 29137934.2500 . volume 18863 8 89 5261611.5000 . height 18863 8 89 36627623.2500 . volume 18863 8 90 3427115.7500 . height 18863 8 90 24368773.5000 . volume 18863 8 91 2077025.0000 . height 18863 8 91 13660720.3750 . volume 18863 8 92 2872650.0000 . height 18863 8 92 20151518.1250 . volume 18863 8 93 3922597.7500 . height 18863 8 93 31591487.7500 . volume 18863 8 94 3736870.0000 . height 18863 8 94 25703544.2500 . volume 18863 8 95 1883562.8750 . height 18863 8 95 12796160.7500 . volume 18863 8 96 5851047.5000 . height 18863 8 96 38635021.5000 . volume 18863 8 97 3637888.7500 . height 18863 8 97 27333536.0000 . volume 18863 8 98 5437822.5000 . height 18863 8 98 39147606.2500 . volume 18863 8 99 2353808.2500 . height 18863 8 99 18900471.0000 . volume 18863 8 100 2586441.2500 . height 18863 8 100 18417067.3750 . volume 18863 8 101 12446596.0000 . height 18863 8 101 91013924.5000 . volume 18863 8 102 2181986.5000 . height 18863 8 102 18557940.8750 . volume 18863 8 103 4427950.5000 . height 18863 8 103 35551198.2500 . volume 18863 8 104 10306135.0000 . height 18863 8 104 71075646.5000 . volume 18863 8 105 8130172.5000 . height 18863 8 105 55821504.0000 . volume 18863 8 106 1564793.1250 . height 18863 8 106 11855624.8750 . volume 18863 8 107 2117924.7500 . height 18863 8 107 15583963.1250 . volume 18863 8 108 2082166.8750 . height 18863 8 108 15404170.1250 . volume 18863 8 109 3653869.7500 . height 18863 8 109 27294029.2500 . volume 18863 8 110 2934346.5000 . height 18863 8 110 23378557.7500 . volume 18863 8 111 3573468.7500 . height 18863 8 111 25728118.2500 . volume 18863 8 112 2593216.0000 . height 18863 8 112 17520024.1250 . volume 18863 8 113 2519900.5000 . height 18863 8 113 19813577.2500 . volume 18863 8 114 2265517.5000 . height 18863 8 114 11939085.9375 . volume 18863 8 115 3422098.2500 . height 18863 8 115 23225317.8750 . volume 18863 8 116 27145786.0000 . height 18863 8 116 171544729.0000 . volume 18863 8 117 4076855.2500 . height 18863 8 117 32361952.0000 . volume 18863 8 118 4190538.0000 . height 18863 8 118 25524100.3750 . volume 18863 8 119 4053278.5000 . height 18863 8 119 25975183.5000 . volume 18863 8 120 2451959.5000 . height 18863 8 120 16901249.3750 . volume 18863 8 121 9735069.0000 . height 18863 8 121 80028454.5000 . volume 18863 8 122 6525361.0000 . height 18863 8 122 54970420.0000 . volume 18863 8 123 4126784.2500 . height 18863 8 123 33539458.5000 . volume 18863 8 124 3823324.7500 . height 18863 8 124 31107637.5000 . volume 18863 8 125 5572895.0000 . height 18863 8 125 43322073.2500 . volume 18863 8 126 5341053.5000 . height 18863 8 126 39556970.2500 . volume 18863 8 127 3547831.0000 . height 18863 8 127 25414309.0000 . volume 18863 8 128 2768455.5000 . height 18863 8 128 19448030.6250 . volume 18863 8 129 4057094.2500 . height 18863 8 129 24398401.0000 . volume 18863 8 130 2215574.0000 . height 18863 8 130 18582896.6250 . volume 18863 8 131 2504482.5000 . height 18863 8 131 18277688.8750 . volume 18863 8 132 2863847.2500 . height 18863 8 132 21251133.5000 . volume 18863 8 133 3791126.5000 . height 18863 8 133 26427093.0000 . volume 18863 8 134 3715820.7500 . height 18863 8 134 32038229.7500 . volume 18863 8 135 2296878.0000 . height 18863 8 135 15535790.5000 . volume 18863 8 136 1807183.0000 . height 18863 8 136 12265456.6875 . volume 18863 8 137 1725664.6250 . height 18863 8 137 14055864.2500 . volume 18863 8 138 4686517.0000 . height 18863 8 138 32485248.0000 . volume 18863 8 139 4541724.0000 . height 18863 8 139 29101298.3750 . volume 18863 8 140 1771048.5000 . height 18863 8 140 10523687.3281 . volume 18863 8 141 3310528.2500 . height 18863 8 141 21202926.1875 . volume 18863 8 142 3315536.2500 . height 18863 8 142 26462925.2500 . volume 18863 8 143 2117090.5000 . height 18863 8 143 15623284.0000 . volume 18863 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 7.356 . . . . . . . . . . . . 8 18863 8 1 2 4.496 . . . . . . . . . . . . 8 18863 8 2 1 7.041 . . . . . . . . . . . . 8 18863 8 2 2 4.497 . . . . . . . . . . . . 8 18863 8 12 1 6.898 . . . . . . . . . . . . 8 18863 8 12 2 4.171 . . . . . . . . . . . . 8 18863 8 29 1 7.123 . . . . . . . . . . . . 8 18863 8 29 2 3.774 . . . . . . . . . . . . 8 18863 8 36 1 6.911 . . . . . . . . . . . . 8 18863 8 36 2 4.006 . . . . . . . . . . . . 8 18863 8 40 1 6.610 . . . . . . . . . . . . 8 18863 8 40 2 3.957 . . . . . . . . . . . . 8 18863 8 53 1 7.357 . . . . . . . . . . . . 8 18863 8 53 2 3.210 . . . . . . . . . . . . 8 18863 8 68 1 6.898 . . . . . . . . . . . . 8 18863 8 68 2 2.854 . . . . . . . . . . . . 8 18863 8 69 1 6.610 . . . . . . . . . . . . 8 18863 8 69 2 3.169 . . . . . . . . . . . . 8 18863 8 72 1 6.565 . . . . . . . . . . . . 8 18863 8 72 2 3.036 . . . . . . . . . . . . 8 18863 8 79 1 6.609 . . . . . . . . . . . . 8 18863 8 79 2 2.867 . . . . . . . . . . . . 8 18863 8 80 1 6.795 . . . . . . . . . . . . 8 18863 8 80 2 2.821 . . . . . . . . . . . . 8 18863 8 85 1 7.027 . . . . . . . . . . . . 8 18863 8 85 2 2.757 . . . . . . . . . . . . 8 18863 8 87 1 7.113 . . . . . . . . . . . . 8 18863 8 87 2 2.755 . . . . . . . . . . . . 8 18863 8 106 1 6.799 . . . . . . . . . . . . 8 18863 8 106 2 1.258 . . . . . . . . . . . . 8 18863 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 . . 7.356 . . 1 . 1 1 67 TRP HE3 . . . . . . . . . . 470 . 18863 8 1 2 1 . . 4.496 . . 1 . 1 1 67 TRP HA . . . . . . . . . . 362 . 18863 8 2 1 1 . . 7.041 . . 1 . 1 1 67 TRP HD1 . . . . . . . . . . 483 . 18863 8 2 2 1 . . 4.497 . . 1 . 1 1 67 TRP HA . . . . . . . . . . 362 . 18863 8 12 1 1 . . 6.898 . . 1 . 1 1 81 TYR QD . . . . . . . . . . 722 . 18863 8 12 2 1 . . 4.171 . . 1 . 1 1 81 TYR HA . . . . . . . . . . 378 . 18863 8 29 1 1 . . 7.123 . . 1 . 1 1 41 PHE QD . . . . . . . . . . 625 . 18863 8 29 1 2 . . 7.123 . . 1 . 1 1 45 PHE QD . . . . . . . . . . 755 . 18863 8 29 2 1 . . 3.774 . . 1 . 1 1 58 GLY HA3 . . . . . . . . . . 430 . 18863 8 29 2 2 . . 3.774 . . 1 . 1 1 40 SER HA . . . . . . . . . . 311 . 18863 8 36 1 1 . . 6.911 . . 1 . 1 1 63 PHE HZ . . . . . . . . . . 674 . 18863 8 36 2 1 . . 4.006 . . 1 . 1 1 31 SER HB2 . . . . . . . . . . 278 . 18863 8 36 2 2 . . 4.006 . . 1 . 1 1 59 ALA HA . . . . . . . . . . 342 . 18863 8 40 1 1 . . 6.610 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 8 40 2 1 . . 3.957 . . 1 . 1 1 49 TRP HA . . . . . . . . . . 324 . 18863 8 40 2 2 . . 3.957 . . 1 . 1 1 48 ALA HA . . . . . . . . . . 411 . 18863 8 40 2 3 . . 3.957 . . 1 . 1 1 52 LYS HA . . . . . . . . . . 330 . 18863 8 40 2 4 . . 3.957 . . 1 . 1 1 50 TYR HA . . . . . . . . . . 326 . 18863 8 53 1 1 . . 7.357 . . 1 . 1 1 67 TRP HE3 . . . . . . . . . . 470 . 18863 8 53 2 1 . . 3.210 . . 1 . 1 1 67 TRP HB3 . . . . . . . . . . 686 . 18863 8 53 2 2 . . 3.210 . . 1 . 1 1 67 TRP HB2 . . . . . . . . . . 364 . 18863 8 68 1 1 . . 6.898 . . 1 . 1 1 49 TRP HZ3 . . . . . . . . . . 738 . 18863 8 68 2 1 . . 2.854 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 8 69 1 1 . . 6.610 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 8 69 2 1 . . 3.169 . . 1 . 1 1 49 TRP HB2 . . . . . . . . . . 414 . 18863 8 72 1 1 . . 6.565 . . 1 . 1 1 61 TYR QE . . . . . . . . . . 667 . 18863 8 72 2 1 . . 3.036 . . 1 . 1 1 61 TYR HB2 . . . . . . . . . . 664 . 18863 8 79 1 1 . . 6.609 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 8 79 2 1 . . 2.867 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 8 80 1 1 . . 6.795 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 8 80 2 1 . . 2.821 . . 1 . 1 1 63 PHE HB3 . . . . . . . . . . 669 . 18863 8 80 2 2 . . 2.821 . . 1 . 1 1 63 PHE HB2 . . . . . . . . . . 437 . 18863 8 85 1 1 . . 7.027 . . 1 . 1 1 45 PHE QE . . . . . . . . . . 756 . 18863 8 85 2 1 . . 2.757 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 8 87 1 1 . . 7.113 . . 1 . 1 1 45 PHE QD . . . . . . . . . . 755 . 18863 8 87 2 1 . . 2.755 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 8 106 1 1 . . 6.799 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 8 106 2 1 . . 1.258 . . 1 . 1 1 62 ALA MB . . . . . . . . . . 435 . 18863 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 18863 _Spectral_peak_list.ID 9 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $methanol_H _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 16 _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 '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 . . 4068.604 . . . . . . . 18863 9 2 . . H 1 1H . . 8250.825 . . . . . . . 18863 9 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 9 2 1.0 . . 18863 9 3 1.0 . . 18863 9 4 1.0 . . 18863 9 5 1.0 . . 18863 9 6 1.0 . . 18863 9 7 1.0 . . 18863 9 8 1.0 . . 18863 9 9 1.0 . . 18863 9 10 1.0 . . 18863 9 11 1.0 . . 18863 9 12 1.0 . . 18863 9 13 1.0 . . 18863 9 14 1.0 . . 18863 9 15 1.0 . . 18863 9 16 1.0 . . 18863 9 17 1.0 . . 18863 9 18 1.0 . . 18863 9 19 1.0 . . 18863 9 20 1.0 . . 18863 9 21 1.0 . . 18863 9 22 1.0 . . 18863 9 23 1.0 . . 18863 9 24 1.0 . . 18863 9 25 1.0 . . 18863 9 26 1.0 . . 18863 9 27 1.0 . . 18863 9 28 1.0 . . 18863 9 29 1.0 . . 18863 9 30 1.0 . . 18863 9 31 1.0 . . 18863 9 32 1.0 . . 18863 9 33 1.0 . . 18863 9 34 1.0 . . 18863 9 35 1.0 . . 18863 9 36 1.0 . . 18863 9 37 1.0 . . 18863 9 38 1.0 . . 18863 9 39 1.0 . . 18863 9 40 1.0 . . 18863 9 41 1.0 . . 18863 9 42 1.0 . . 18863 9 43 1.0 . . 18863 9 44 1.0 . . 18863 9 45 1.0 . . 18863 9 46 1.0 . . 18863 9 47 1.0 . . 18863 9 48 1.0 . . 18863 9 49 1.0 . . 18863 9 50 1.0 . . 18863 9 51 1.0 . . 18863 9 52 1.0 . . 18863 9 53 1.0 . . 18863 9 54 1.0 . . 18863 9 55 1.0 . . 18863 9 56 1.0 . . 18863 9 57 1.0 . . 18863 9 58 1.0 . . 18863 9 59 1.0 . . 18863 9 60 1.0 . . 18863 9 61 1.0 . . 18863 9 62 1.0 . . 18863 9 63 1.0 . . 18863 9 64 1.0 . . 18863 9 65 1.0 . . 18863 9 66 1.0 . . 18863 9 67 1.0 . . 18863 9 68 1.0 . . 18863 9 69 1.0 . . 18863 9 70 1.0 . . 18863 9 71 1.0 . . 18863 9 72 1.0 . . 18863 9 73 1.0 . . 18863 9 74 1.0 . . 18863 9 75 1.0 . . 18863 9 76 1.0 . . 18863 9 77 1.0 . . 18863 9 78 1.0 . . 18863 9 79 1.0 . . 18863 9 80 1.0 . . 18863 9 81 1.0 . . 18863 9 82 1.0 . . 18863 9 83 1.0 . . 18863 9 84 1.0 . . 18863 9 85 1.0 . . 18863 9 86 1.0 . . 18863 9 87 1.0 . . 18863 9 88 1.0 . . 18863 9 89 1.0 . . 18863 9 90 1.0 . . 18863 9 91 1.0 . . 18863 9 92 1.0 . . 18863 9 93 1.0 . . 18863 9 94 1.0 . . 18863 9 95 1.0 . . 18863 9 96 1.0 . . 18863 9 97 1.0 . . 18863 9 98 1.0 . . 18863 9 99 1.0 . . 18863 9 100 1.0 . . 18863 9 101 1.0 . . 18863 9 102 1.0 . . 18863 9 103 1.0 . . 18863 9 104 1.0 . . 18863 9 105 1.0 . . 18863 9 106 1.0 . . 18863 9 107 1.0 . . 18863 9 108 1.0 . . 18863 9 109 1.0 . . 18863 9 110 1.0 . . 18863 9 111 1.0 . . 18863 9 112 1.0 . . 18863 9 113 1.0 . . 18863 9 114 1.0 . . 18863 9 115 1.0 . . 18863 9 116 1.0 . . 18863 9 117 1.0 . . 18863 9 118 1.0 . . 18863 9 119 1.0 . . 18863 9 120 1.0 . . 18863 9 121 1.0 . . 18863 9 122 1.0 . . 18863 9 123 1.0 . . 18863 9 124 1.0 . . 18863 9 125 1.0 . . 18863 9 126 1.0 . . 18863 9 127 1.0 . . 18863 9 128 1.0 . . 18863 9 129 1.0 . . 18863 9 130 1.0 . . 18863 9 131 1.0 . . 18863 9 132 1.0 . . 18863 9 133 1.0 . . 18863 9 134 1.0 . . 18863 9 135 1.0 . . 18863 9 136 1.0 . . 18863 9 137 1.0 . . 18863 9 138 1.0 . . 18863 9 139 1.0 . . 18863 9 140 1.0 . . 18863 9 141 1.0 . . 18863 9 142 1.0 . . 18863 9 143 1.0 . . 18863 9 144 1.0 . . 18863 9 145 1.0 . . 18863 9 146 1.0 . . 18863 9 147 1.0 . . 18863 9 148 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height 18863 9 269 314346150.0000 . volume 18863 9 270 60955504.0000 . height 18863 9 270 481159944.0000 . volume 18863 9 271 51122400.0000 . height 18863 9 271 424302072.0000 . volume 18863 9 272 51029864.0000 . height 18863 9 272 430140028.0000 . volume 18863 9 273 35309740.0000 . height 18863 9 273 261380910.0000 . volume 18863 9 274 138963584.0000 . height 18863 9 274 1143688920.0000 . volume 18863 9 275 28269444.0000 . height 18863 9 275 223909116.0000 . volume 18863 9 276 28876092.0000 . height 18863 9 276 226132700.0000 . volume 18863 9 277 136936288.0000 . height 18863 9 277 1188109024.0000 . volume 18863 9 278 100401656.0000 . height 18863 9 278 845231000.0000 . volume 18863 9 279 108850352.0000 . height 18863 9 279 893705496.0000 . volume 18863 9 280 26951836.0000 . height 18863 9 280 205211001.0000 . volume 18863 9 281 20156926.0000 . height 18863 9 281 164471856.0000 . volume 18863 9 282 33214534.0000 . height 18863 9 282 262783872.0000 . volume 18863 9 283 71257664.0000 . height 18863 9 283 609818592.0000 . volume 18863 9 284 41018956.0000 . height 18863 9 284 336862816.0000 . volume 18863 9 285 39615544.0000 . height 18863 9 285 330061264.0000 . volume 18863 9 286 98647608.0000 . height 18863 9 286 831351496.0000 . volume 18863 9 287 29172848.0000 . height 18863 9 287 211846920.0000 . volume 18863 9 288 33260268.0000 . height 18863 9 288 242872518.0000 . volume 18863 9 289 29940354.0000 . height 18863 9 289 242362944.0000 . volume 18863 9 290 3623311.0000 . height 18863 9 290 25141371.2500 . volume 18863 9 291 2747129.7500 . height 18863 9 291 21434133.0000 . volume 18863 9 292 7259687.5000 . height 18863 9 292 57200082.0000 . volume 18863 9 293 7129856.0000 . height 18863 9 293 55724885.5000 . volume 18863 9 294 7895783.5000 . height 18863 9 294 60535570.0000 . volume 18863 9 295 5460429.5000 . height 18863 9 295 42815764.0000 . volume 18863 9 296 14415999.0000 . height 18863 9 296 111468127.0000 . volume 18863 9 297 4137916.2500 . height 18863 9 297 26686414.9375 . volume 18863 9 298 2291191.5000 . height 18863 9 298 15487291.3125 . volume 18863 9 299 7637875.5000 . height 18863 9 299 57380682.5000 . volume 18863 9 300 7118873.0000 . height 18863 9 300 52611150.0000 . volume 18863 9 301 2438623.2500 . height 18863 9 301 18885108.8750 . volume 18863 9 302 3442042.7500 . height 18863 9 302 27201716.2500 . volume 18863 9 303 2879464.2500 . height 18863 9 303 16877032.5000 . volume 18863 9 304 2344799.5000 . height 18863 9 304 15040775.2500 . volume 18863 9 305 3612794.0000 . height 18863 9 305 27722019.0000 . volume 18863 9 306 2308625.5000 . height 18863 9 306 16279531.7500 . volume 18863 9 307 2320820.7500 . height 18863 9 307 16534848.7500 . volume 18863 9 308 4461987.0000 . height 18863 9 308 36209940.0000 . volume 18863 9 309 5637832.0000 . height 18863 9 309 38940219.7500 . volume 18863 9 310 5057869.5000 . height 18863 9 310 38017842.5000 . volume 18863 9 311 4891903.5000 . height 18863 9 311 32708123.5000 . volume 18863 9 312 3265963.7500 . height 18863 9 312 21006551.5625 . volume 18863 9 313 4647615.0000 . height 18863 9 313 28751119.3750 . volume 18863 9 314 6281886.5000 . height 18863 9 314 46073853.7500 . volume 18863 9 315 2461915.5000 . height 18863 9 315 16574119.1875 . volume 18863 9 316 4256359.0000 . height 18863 9 316 26109269.5000 . volume 18863 9 317 13292824.0000 . height 18863 9 317 101127388.0000 . volume 18863 9 318 9976710.0000 . height 18863 9 318 77763455.5000 . volume 18863 9 319 9963836.0000 . height 18863 9 319 80065905.0000 . volume 18863 9 320 13645875.0000 . height 18863 9 320 103951393.0000 . volume 18863 9 321 13862286.0000 . height 18863 9 321 106563113.0000 . volume 18863 9 322 13222731.0000 . height 18863 9 322 109570815.0000 . volume 18863 9 323 10308397.0000 . height 18863 9 323 83075033.5000 . volume 18863 9 324 8335499.0000 . height 18863 9 324 61826026.5000 . volume 18863 9 325 11947840.0000 . height 18863 9 325 87831509.5000 . volume 18863 9 326 11597971.0000 . height 18863 9 326 87590224.5000 . volume 18863 9 327 14225346.0000 . height 18863 9 327 110605600.0000 . volume 18863 9 328 16089480.0000 . height 18863 9 328 123195472.0000 . volume 18863 9 329 13511289.0000 . height 18863 9 329 113379891.0000 . volume 18863 9 330 12747389.0000 . height 18863 9 330 99729316.5000 . volume 18863 9 331 12038094.0000 . height 18863 9 331 97946015.0000 . volume 18863 9 332 9215889.0000 . height 18863 9 332 76415316.5000 . volume 18863 9 333 11119380.0000 . height 18863 9 333 91786930.0000 . volume 18863 9 334 8623583.0000 . height 18863 9 334 65230253.0000 . volume 18863 9 335 11291602.0000 . height 18863 9 335 76794535.7500 . volume 18863 9 336 8622380.0000 . height 18863 9 336 67066565.0000 . volume 18863 9 337 9212818.0000 . height 18863 9 337 76466458.5000 . volume 18863 9 338 11659137.0000 . height 18863 9 338 97452047.0000 . volume 18863 9 339 11649191.0000 . height 18863 9 339 100221954.0000 . volume 18863 9 340 10990294.0000 . height 18863 9 340 88786210.0000 . volume 18863 9 341 9214121.0000 . height 18863 9 341 76109283.5000 . volume 18863 9 342 8729919.0000 . height 18863 9 342 67756859.0000 . volume 18863 9 343 8196879.5000 . height 18863 9 343 65467027.5000 . volume 18863 9 344 8204294.0000 . height 18863 9 344 65247618.0000 . volume 18863 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 3 1 3.824 . . . . . . . . . . . . 8 18863 9 3 2 1.125 . . . . . . . . . . . . 8 18863 9 4 1 3.745 . . . . . . . . . . . . 8 18863 9 4 2 1.128 . . . . . . . . . . . . 8 18863 9 18 1 4.201 . . . . . . . . . . . . 8 18863 9 18 2 0.860 . . . . . . . . . . . . 8 18863 9 22 1 4.201 . . . . . . . . . . . . 8 18863 9 22 2 0.847 . . . . . . . . . . . . 8 18863 9 143 1 3.983 . . . . . . . . . . . . 8 18863 9 143 2 2.978 . . . . . . . . . . . . 8 18863 9 209 1 1.314 . . . . . . . . . . . . 8 18863 9 209 2 4.019 . . . . . . . . . . . . 8 18863 9 251 1 3.001 . . . . . . . . . . . . 8 18863 9 251 2 3.989 . . . . . . . . . . . . 8 18863 9 256 1 2.948 . . . . . . . . . . . . 8 18863 9 256 2 3.988 . . . . . . . . . . . . 8 18863 9 297 1 4.157 . . . . . . . . . . . . 8 18863 9 297 2 6.808 . . . . . . . . . . . . 8 18863 9 300 1 3.920 . . . . . . . . . . . . 8 18863 9 300 2 6.950 . . . . . . . . . . . . 8 18863 9 339 1 1.555 . . . . . . . . . . . . 8 18863 9 339 2 2.857 . . . . . . . . . . . . 8 18863 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 3 1 1 . . 3.824 . . 1 . 1 1 38 ILE HA . . . . . . . . . . 302 . 18863 9 3 2 1 . . 1.125 . . 1 . 1 1 38 ILE HG13 . . . . . . . . . . 394 . 18863 9 18 1 1 . . 4.201 . . 1 . 1 1 75 ALA HA . . . . . . . . . . 374 . 18863 9 18 2 1 . . 0.860 . . 1 . 1 1 24 LEU MD1 . . . . . . . . . . 605 . 18863 9 22 1 2 . . 4.201 . . 1 . 1 1 75 ALA HA . . . . . . . . . . 374 . 18863 9 22 2 2 . . 0.847 . . 1 . 1 1 24 LEU MD2 . . . . . . . . . . 607 . 18863 9 143 1 1 . . 3.983 . . 1 . 1 1 62 ALA HA . . . . . . . . . . 350 . 18863 9 143 2 1 . . 2.978 . . 1 . 1 1 61 TYR HB3 . . . . . . . . . . 433 . 18863 9 209 1 1 . . 1.314 . . 1 . 1 1 82 ALA MB . . . . . . . . . . 443 . 18863 9 209 2 1 . . 4.019 . . 1 . 1 1 82 ALA HA . . . . . . . . . . 442 . 18863 9 251 1 1 . . 3.001 . . 1 . 1 1 61 TYR HB3 . . . . . . . . . . 433 . 18863 9 251 2 1 . . 3.989 . . 1 . 1 1 62 ALA HA . . . . . . . . . . 350 . 18863 9 256 1 1 . . 2.948 . . 1 . 1 1 64 TYR HB2 . . . . . . . . . . 676 . 18863 9 256 2 1 . . 3.988 . . 1 . 1 1 62 ALA HA . . . . . . . . . . 350 . 18863 9 297 1 1 . . 4.157 . . 1 . 1 1 31 SER HA . . . . . . . . . . 276 . 18863 9 297 2 1 . . 6.808 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 9 300 1 1 . . 3.920 . . 1 . 1 1 48 ALA HA . . . . . . . . . . 411 . 18863 9 300 2 1 . . 6.950 . . 1 . 1 1 49 TRP HH2 . . . . . . . . . . 736 . 18863 9 339 1 1 . . 1.555 . . 1 . 1 1 54 ARG HG2 . . . . . . . . . . 638 . 18863 9 339 2 1 . . 2.857 . . 1 . 1 1 54 ARG HD3 . . . . . . . . . . 643 . 18863 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 18863 _Spectral_peak_list.ID 10 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $methanol_CN _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 18 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . . 4001.828 . . . . . . . 18863 10 2 . . C 13 13C . . 4250.000 . . . . . . . 18863 10 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 10 2 1.0 . . 18863 10 3 1.0 . . 18863 10 4 1.0 . . 18863 10 5 1.0 . . 18863 10 6 1.0 . . 18863 10 7 1.0 . . 18863 10 8 1.0 . . 18863 10 9 1.0 . . 18863 10 10 1.0 . . 18863 10 11 1.0 . . 18863 10 12 1.0 . . 18863 10 13 1.0 . . 18863 10 14 1.0 . . 18863 10 15 1.0 . . 18863 10 16 1.0 . . 18863 10 17 1.0 . . 18863 10 18 1.0 . . 18863 10 19 1.0 . . 18863 10 20 1.0 . . 18863 10 21 1.0 . . 18863 10 22 1.0 . . 18863 10 23 1.0 . . 18863 10 24 1.0 . . 18863 10 25 1.0 . . 18863 10 26 1.0 . . 18863 10 27 1.0 . . 18863 10 28 1.0 . . 18863 10 29 1.0 . . 18863 10 30 1.0 . . 18863 10 31 1.0 . . 18863 10 32 1.0 . . 18863 10 33 1.0 . . 18863 10 34 1.0 . . 18863 10 35 1.0 . . 18863 10 36 1.0 . . 18863 10 37 1.0 . . 18863 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 4360094.0000000 . height 18863 10 1 34289985.2500000 . volume 18863 10 2 -2455498.2500000 . height 18863 10 2 -19836839.2500000 . volume 18863 10 3 -5397026.5000000 . height 18863 10 3 -41356797.0000000 . volume 18863 10 4 -2003011.5000000 . height 18863 10 4 -14924733.3750000 . volume 18863 10 5 2750330.5000000 . height 18863 10 5 21202969.5000000 . volume 18863 10 6 -68478.9531250 . height 18863 10 6 -1169833.8261700 . volume 18863 10 7 44181.8710938 . height 18863 10 7 -1517963.8476600 . volume 18863 10 8 -103992.3515620 . height 18863 10 8 -943596.8867190 . volume 18863 10 9 125404.0625000 . height 18863 10 9 1659032.3007800 . volume 18863 10 10 202599.5312500 . height 18863 10 10 3045678.2343800 . volume 18863 10 11 255796.1093750 . height 18863 10 11 525379.7968750 . volume 18863 10 12 -105092.1953120 . height 18863 10 12 -267316.4687500 . volume 18863 10 13 186524.5468750 . height 18863 10 13 1286827.5820300 . volume 18863 10 14 -16604.8652344 . height 18863 10 14 -216480.5825200 . volume 18863 10 15 -224672.4375000 . height 18863 10 15 -1166827.4101600 . volume 18863 10 16 -467333.0312500 . height 18863 10 16 -1572171.3515600 . volume 18863 10 17 33462.2890625 . height 18863 10 17 18368.4306641 . volume 18863 10 18 1485452.0000000 . height 18863 10 18 11841456.5000000 . volume 18863 10 19 1868593.8750000 . height 18863 10 19 14161657.6250000 . volume 18863 10 20 10734531.0000000 . height 18863 10 20 90156054.0000000 . volume 18863 10 21 26242322.0000000 . height 18863 10 21 219458456.0000000 . volume 18863 10 22 9415615.0000000 . height 18863 10 22 89036794.5000000 . volume 18863 10 23 16310630.0000000 . height 18863 10 23 147806856.0000000 . volume 18863 10 24 1867638.2500000 . height 18863 10 24 16157126.2500000 . volume 18863 10 25 1336026.1250000 . height 18863 10 25 8150413.6250000 . volume 18863 10 26 6045692.5000000 . height 18863 10 26 54240151.5000000 . volume 18863 10 27 4363090.0000000 . height 18863 10 27 35096437.2500000 . volume 18863 10 28 6310158.5000000 . height 18863 10 28 53051154.0000000 . volume 18863 10 29 8784261.0000000 . height 18863 10 29 74977011.0000000 . volume 18863 10 30 15375540.0000000 . height 18863 10 30 139518880.0000000 . volume 18863 10 31 2225279.7500000 . height 18863 10 31 19338600.7500000 . volume 18863 10 32 2055755.2500000 . height 18863 10 32 17647068.1250000 . volume 18863 10 33 1528314.2500000 . height 18863 10 33 15004019.6250000 . volume 18863 10 34 1051102.3750000 . height 18863 10 34 8363381.1562500 . volume 18863 10 35 921645.2500000 . height 18863 10 35 8368531.6875000 . volume 18863 10 36 1029411.6250000 . height 18863 10 36 7959746.6875000 . volume 18863 10 37 977135.9375000 . height 18863 10 37 7480968.0000000 . volume 18863 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 7.230 . . . . . . . . . . . . 8 18863 10 1 2 115.236 . . . . . . . . . . . . 8 18863 10 2 1 7.351 . . . . . . . . . . . . 8 18863 10 2 2 121.202 . . . . . . . . . . . . 8 18863 10 3 1 7.075 . . . . . . . . . . . . 8 18863 10 3 2 127.438 . . . . . . . . . . . . 8 18863 10 4 1 6.643 . . . . . . . . . . . . 8 18863 10 4 2 127.444 . . . . . . . . . . . . 8 18863 10 5 1 8.599 . . . . . . . . . . . . 8 18863 10 5 2 138.016 . . . . . . . . . . . . 8 18863 10 18 1 7.117 . . . . . . . . . . . . 8 18863 10 18 2 132.008 . . . . . . . . . . . . 8 18863 10 19 1 7.062 . . . . . . . . . . . . 8 18863 10 19 2 133.122 . . . . . . . . . . . . 8 18863 10 20 1 6.943 . . . . . . . . . . . . 8 18863 10 20 2 134.007 . . . . . . . . . . . . 8 18863 10 21 1 6.588 . . . . . . . . . . . . 8 18863 10 21 2 118.914 . . . . . . . . . . . . 8 18863 10 22 1 6.973 . . . . . . . . . . . . 8 18863 10 22 2 133.968 . . . . . . . . . . . . 8 18863 10 23 1 6.570 . . . . . . . . . . . . 8 18863 10 23 2 118.912 . . . . . . . . . . . . 8 18863 10 24 1 6.825 . . . . . . . . . . . . 8 18863 10 24 2 132.977 . . . . . . . . . . . . 8 18863 10 25 1 6.981 . . . . . . . . . . . . 8 18863 10 25 2 131.976 . . . . . . . . . . . . 8 18863 10 26 1 6.923 . . . . . . . . . . . . 8 18863 10 26 2 134.004 . . . . . . . . . . . . 8 18863 10 27 1 7.098 . . . . . . . . . . . . 8 18863 10 27 2 134.264 . . . . . . . . . . . . 8 18863 10 28 1 6.638 . . . . . . . . . . . . 8 18863 10 28 2 119.025 . . . . . . . . . . . . 8 18863 10 29 1 6.896 . . . . . . . . . . . . 8 18863 10 29 2 133.998 . . . . . . . . . . . . 8 18863 10 30 1 6.573 . . . . . . . . . . . . 8 18863 10 30 2 118.841 . . . . . . . . . . . . 8 18863 10 31 1 7.213 . . . . . . . . . . . . 8 18863 10 31 2 115.189 . . . . . . . . . . . . 8 18863 10 32 1 6.984 . . . . . . . . . . . . 8 18863 10 32 2 125.301 . . . . . . . . . . . . 8 18863 10 33 1 6.967 . . . . . . . . . . . . 8 18863 10 33 2 125.249 . . . . . . . . . . . . 8 18863 10 34 1 6.876 . . . . . . . . . . . . 8 18863 10 34 2 122.606 . . . . . . . . . . . . 8 18863 10 35 1 6.854 . . . . . . . . . . . . 8 18863 10 35 2 122.671 . . . . . . . . . . . . 8 18863 10 36 1 7.105 . . . . . . . . . . . . 8 18863 10 36 2 133.141 . . . . . . . . . . . . 8 18863 10 37 1 7.019 . . . . . . . . . . . . 8 18863 10 37 2 133.020 . . . . . . . . . . . . 8 18863 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 . . 7.230 . . 1 . 1 1 67 TRP HZ2 . . . . . . . . . . 730 . 18863 10 1 2 1 . . 115.236 . . 1 . 1 1 67 TRP CZ2 . . . . . . . . . . 731 . 18863 10 2 1 1 . . 7.351 . . 1 . 1 1 36 HIS HD2 . . . . . . . . . . 477 . 18863 10 2 2 1 . . 121.202 . . 1 . 1 1 36 HIS CD2 . . . . . . . . . . 478 . 18863 10 3 1 1 . . 7.075 . . 1 . 1 1 67 TRP HD1 . . . . . . . . . . 483 . 18863 10 3 2 1 . . 127.438 . . 1 . 1 1 67 TRP CD1 . . . . . . . . . . 484 . 18863 10 4 1 1 . . 6.643 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 10 4 2 1 . . 127.444 . . 1 . 1 1 49 TRP CD1 . . . . . . . . . . 482 . 18863 10 5 1 1 . . 8.599 . . 1 . 1 1 36 HIS HE1 . . . . . . . . . . 479 . 18863 10 5 2 1 . . 138.016 . . 1 . 1 1 36 HIS CE1 . . . . . . . . . . 480 . 18863 10 18 1 1 . . 7.117 . . 1 . 1 1 41 PHE QD . . . . . . . . . . 625 . 18863 10 18 2 1 . . 132.008 . . 1 . 1 1 41 PHE CD1 . . . . . . . . . . 626 . 18863 10 19 1 1 . . 7.062 . . 1 . 1 1 41 PHE QE . . . . . . . . . . 627 . 18863 10 19 2 1 . . 133.122 . . 1 . 1 1 41 PHE CE1 . . . . . . . . . . 628 . 18863 10 20 1 1 . . 6.943 . . 1 . 1 1 50 TYR QD . . . . . . . . . . 633 . 18863 10 20 2 1 . . 134.007 . . 1 . 1 1 50 TYR CD1 . . . . . . . . . . 634 . 18863 10 21 1 1 . . 6.588 . . 1 . 1 1 50 TYR QE . . . . . . . . . . 635 . 18863 10 21 2 1 . . 118.914 . . 1 . 1 1 50 TYR CE1 . . . . . . . . . . 636 . 18863 10 22 1 1 . . 6.973 . . 1 . 1 1 61 TYR QD . . . . . . . . . . 665 . 18863 10 22 2 1 . . 133.968 . . 1 . 1 1 61 TYR CD1 . . . . . . . . . . 666 . 18863 10 23 1 1 . . 6.570 . . 1 . 1 1 61 TYR QE . . . . . . . . . . 667 . 18863 10 23 2 1 . . 118.912 . . 1 . 1 1 61 TYR CE1 . . . . . . . . . . 668 . 18863 10 24 1 1 . . 6.825 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 10 24 2 1 . . 132.977 . . 1 . 1 1 63 PHE CD1 . . . . . . . . . . 671 . 18863 10 25 1 1 . . 6.981 . . 1 . 1 1 63 PHE QE . . . . . . . . . . 672 . 18863 10 25 2 1 . . 131.976 . . 1 . 1 1 63 PHE CE1 . . . . . . . . . . 673 . 18863 10 26 1 1 . . 6.923 . . 1 . 1 1 63 PHE HZ . . . . . . . . . . 674 . 18863 10 26 2 1 . . 134.004 . . 1 . 1 1 63 PHE CZ . . . . . . . . . . 675 . 18863 10 27 1 1 . . 7.098 . . 1 . 1 1 64 TYR QD . . . . . . . . . . 678 . 18863 10 27 2 1 . . 134.264 . . 1 . 1 1 64 TYR CD1 . . . . . . . . . . 679 . 18863 10 28 1 1 . . 6.638 . . 1 . 1 1 64 TYR QE . . . . . . . . . . 680 . 18863 10 28 2 1 . . 119.025 . . 1 . 1 1 64 TYR CE1 . . . . . . . . . . 681 . 18863 10 29 1 1 . . 6.896 . . 1 . 1 1 81 TYR QD . . . . . . . . . . 722 . 18863 10 29 2 1 . . 133.998 . . 1 . 1 1 81 TYR CD1 . . . . . . . . . . 723 . 18863 10 30 1 1 . . 6.573 . . 1 . 1 1 81 TYR QE . . . . . . . . . . 724 . 18863 10 30 2 1 . . 118.841 . . 1 . 1 1 81 TYR CE1 . . . . . . . . . . 725 . 18863 10 31 1 1 . . 7.213 . . 1 . 1 1 49 TRP HZ2 . . . . . . . . . . 732 . 18863 10 31 2 1 . . 115.189 . . 1 . 1 1 49 TRP CZ2 . . . . . . . . . . 733 . 18863 10 32 1 1 . . 6.984 . . 1 . 1 1 67 TRP HH2 . . . . . . . . . . 734 . 18863 10 32 2 1 . . 125.301 . . 1 . 1 1 67 TRP CH2 . . . . . . . . . . 735 . 18863 10 33 1 1 . . 6.967 . . 1 . 1 1 49 TRP HH2 . . . . . . . . . . 736 . 18863 10 33 2 1 . . 125.249 . . 1 . 1 1 49 TRP CH2 . . . . . . . . . . 737 . 18863 10 34 1 1 . . 6.876 . . 1 . 1 1 49 TRP HZ3 . . . . . . . . . . 738 . 18863 10 34 2 1 . . 122.606 . . 1 . 1 1 49 TRP CZ3 . . . . . . . . . . 739 . 18863 10 35 1 1 . . 6.854 . . 1 . 1 1 67 TRP HZ3 . . . . . . . . . . 740 . 18863 10 35 2 1 . . 122.671 . . 1 . 1 1 67 TRP CZ3 . . . . . . . . . . 741 . 18863 10 36 1 2 . . 7.105 . . 1 . 1 1 45 PHE QD . . . . . . . . . . 755 . 18863 10 36 2 1 . . 133.141 . . 1 . 1 1 45 PHE CD1 . . . . . . . . . . 757 . 18863 10 37 1 1 . . 7.019 . . 1 . 1 1 45 PHE QE . . . . . . . . . . 756 . 18863 10 37 2 1 . . 133.020 . . 1 . 1 1 45 PHE CE1 . . . . . . . . . . 758 . 18863 10 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11 _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_11 _Spectral_peak_list.Entry_ID 18863 _Spectral_peak_list.ID 11 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $methanol_N _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $methanol_25c _Spectral_peak_list.Experiment_ID 20 _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 . . 4126.393 . . . . . . . 18863 11 2 . . H 1 1H . . 8250.000 . . . . . . . 18863 11 3 . . N 15 15N . . 2000.000 . . . . . . . 18863 11 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 18863 11 2 1.0 . . 18863 11 3 1.0 . . 18863 11 4 1.0 . . 18863 11 5 1.0 . . 18863 11 6 1.0 . . 18863 11 7 1.0 . . 18863 11 8 1.0 . . 18863 11 9 1.0 . . 18863 11 10 1.0 . . 18863 11 11 1.0 . . 18863 11 12 1.0 . . 18863 11 13 1.0 . . 18863 11 14 1.0 . . 18863 11 15 1.0 . . 18863 11 16 1.0 . . 18863 11 17 1.0 . . 18863 11 18 1.0 . . 18863 11 19 1.0 . . 18863 11 20 1.0 . . 18863 11 21 1.0 . . 18863 11 22 1.0 . . 18863 11 23 1.0 . . 18863 11 24 1.0 . . 18863 11 25 1.0 . . 18863 11 26 1.0 . . 18863 11 27 1.0 . . 18863 11 28 1.0 . . 18863 11 29 1.0 . . 18863 11 30 1.0 . . 18863 11 31 1.0 . . 18863 11 32 1.0 . . 18863 11 33 1.0 . . 18863 11 34 1.0 . . 18863 11 35 1.0 . . 18863 11 36 1.0 . . 18863 11 37 1.0 . . 18863 11 38 1.0 . . 18863 11 39 1.0 . . 18863 11 40 1.0 . . 18863 11 41 1.0 . . 18863 11 42 1.0 . . 18863 11 43 1.0 . . 18863 11 44 1.0 . . 18863 11 45 1.0 . . 18863 11 46 1.0 . . 18863 11 47 1.0 . . 18863 11 48 1.0 . . 18863 11 49 1.0 . . 18863 11 50 1.0 . . 18863 11 51 1.0 . . 18863 11 52 1.0 . . 18863 11 53 1.0 . . 18863 11 54 1.0 . . 18863 11 55 1.0 . . 18863 11 56 1.0 . . 18863 11 57 1.0 . . 18863 11 58 1.0 . . 18863 11 59 1.0 . . 18863 11 60 1.0 . . 18863 11 61 1.0 . . 18863 11 62 1.0 . . 18863 11 63 1.0 . . 18863 11 64 1.0 . . 18863 11 65 1.0 . . 18863 11 66 1.0 . . 18863 11 67 1.0 . . 18863 11 68 1.0 . . 18863 11 69 1.0 . . 18863 11 70 1.0 . . 18863 11 71 1.0 . . 18863 11 72 1.0 . . 18863 11 73 1.0 . . 18863 11 74 1.0 . . 18863 11 75 1.0 . . 18863 11 76 1.0 . . 18863 11 77 1.0 . . 18863 11 78 1.0 . . 18863 11 79 1.0 . . 18863 11 80 1.0 . . 18863 11 81 1.0 . . 18863 11 82 1.0 . . 18863 11 83 1.0 . . 18863 11 84 1.0 . . 18863 11 85 1.0 . . 18863 11 86 1.0 . . 18863 11 87 1.0 . . 18863 11 88 1.0 . . 18863 11 89 1.0 . . 18863 11 90 1.0 . . 18863 11 91 1.0 . . 18863 11 92 1.0 . . 18863 11 93 1.0 . . 18863 11 94 1.0 . . 18863 11 95 1.0 . . 18863 11 96 1.0 . . 18863 11 97 1.0 . . 18863 11 98 1.0 . . 18863 11 99 1.0 . . 18863 11 100 1.0 . . 18863 11 101 1.0 . . 18863 11 102 1.0 . . 18863 11 103 1.0 . . 18863 11 104 1.0 . . 18863 11 105 1.0 . . 18863 11 106 1.0 . . 18863 11 107 1.0 . . 18863 11 108 1.0 . . 18863 11 109 1.0 . . 18863 11 110 1.0 . . 18863 11 111 1.0 . . 18863 11 112 1.0 . . 18863 11 113 1.0 . . 18863 11 114 1.0 . . 18863 11 115 1.0 . . 18863 11 116 1.0 . . 18863 11 117 1.0 . . 18863 11 118 1.0 . . 18863 11 119 1.0 . . 18863 11 120 1.0 . . 18863 11 121 1.0 . . 18863 11 122 1.0 . . 18863 11 123 1.0 . . 18863 11 124 1.0 . . 18863 11 125 1.0 . . 18863 11 126 1.0 . . 18863 11 127 1.0 . . 18863 11 128 1.0 . . 18863 11 129 1.0 . . 18863 11 130 1.0 . . 18863 11 131 1.0 . . 18863 11 132 1.0 . . 18863 11 133 1.0 . . 18863 11 134 1.0 . . 18863 11 135 1.0 . . 18863 11 136 1.0 . . 18863 11 137 1.0 . . 18863 11 138 1.0 . . 18863 11 139 1.0 . . 18863 11 140 1.0 . . 18863 11 141 1.0 . . 18863 11 142 1.0 . . 18863 11 143 1.0 . . 18863 11 144 1.0 . . 18863 11 145 1.0 . . 18863 11 146 1.0 . . 18863 11 147 1.0 . . 18863 11 148 1.0 . . 18863 11 149 1.0 . . 18863 11 150 1.0 . . 18863 11 151 1.0 . . 18863 11 152 1.0 . . 18863 11 153 1.0 . . 18863 11 154 1.0 . . 18863 11 155 1.0 . . 18863 11 156 1.0 . . 18863 11 157 1.0 . . 18863 11 158 1.0 . . 18863 11 159 1.0 . . 18863 11 160 1.0 . . 18863 11 161 1.0 . . 18863 11 162 1.0 . . 18863 11 163 1.0 . . 18863 11 164 1.0 . . 18863 11 165 1.0 . . 18863 11 166 1.0 . . 18863 11 167 1.0 . . 18863 11 168 1.0 . . 18863 11 169 1.0 . . 18863 11 170 1.0 . . 18863 11 171 1.0 . . 18863 11 172 1.0 . . 18863 11 173 1.0 . . 18863 11 174 1.0 . . 18863 11 175 1.0 . . 18863 11 176 1.0 . . 18863 11 177 1.0 . . 18863 11 178 1.0 . . 18863 11 179 1.0 . . 18863 11 180 1.0 . . 18863 11 181 1.0 . . 18863 11 182 1.0 . . 18863 11 183 1.0 . . 18863 11 184 1.0 . . 18863 11 185 1.0 . . 18863 11 186 1.0 . . 18863 11 187 1.0 . . 18863 11 188 1.0 . . 18863 11 189 1.0 . . 18863 11 190 1.0 . . 18863 11 191 1.0 . . 18863 11 192 1.0 . . 18863 11 193 1.0 . . 18863 11 194 1.0 . . 18863 11 195 1.0 . . 18863 11 196 1.0 . . 18863 11 197 1.0 . . 18863 11 198 1.0 . . 18863 11 199 1.0 . . 18863 11 200 1.0 . . 18863 11 201 1.0 . . 18863 11 202 1.0 . . 18863 11 203 1.0 . . 18863 11 204 1.0 . . 18863 11 205 1.0 . . 18863 11 206 1.0 . . 18863 11 207 1.0 . . 18863 11 208 1.0 . . 18863 11 209 1.0 . . 18863 11 210 1.0 . . 18863 11 211 1.0 . . 18863 11 212 1.0 . . 18863 11 213 1.0 . . 18863 11 214 1.0 . . 18863 11 215 1.0 . . 18863 11 216 1.0 . . 18863 11 217 1.0 . . 18863 11 218 1.0 . . 18863 11 219 1.0 . . 18863 11 220 1.0 . . 18863 11 221 1.0 . . 18863 11 222 1.0 . . 18863 11 223 1.0 . . 18863 11 224 1.0 . . 18863 11 225 1.0 . . 18863 11 226 1.0 . . 18863 11 227 1.0 . . 18863 11 228 1.0 . . 18863 11 229 1.0 . . 18863 11 230 1.0 . . 18863 11 231 1.0 . . 18863 11 232 1.0 . . 18863 11 233 1.0 . . 18863 11 234 1.0 . . 18863 11 235 1.0 . . 18863 11 236 1.0 . . 18863 11 237 1.0 . . 18863 11 238 1.0 . . 18863 11 239 1.0 . . 18863 11 240 1.0 . . 18863 11 241 1.0 . . 18863 11 242 1.0 . . 18863 11 243 1.0 . . 18863 11 244 1.0 . . 18863 11 245 1.0 . . 18863 11 246 1.0 . . 18863 11 247 1.0 . . 18863 11 248 1.0 . . 18863 11 249 1.0 . . 18863 11 250 1.0 . . 18863 11 251 1.0 . . 18863 11 252 1.0 . . 18863 11 253 1.0 . . 18863 11 254 1.0 . . 18863 11 255 1.0 . . 18863 11 256 1.0 . . 18863 11 257 1.0 . . 18863 11 258 1.0 . . 18863 11 259 1.0 . . 18863 11 260 1.0 . . 18863 11 261 1.0 . . 18863 11 262 1.0 . . 18863 11 263 1.0 . . 18863 11 264 1.0 . . 18863 11 265 1.0 . . 18863 11 266 1.0 . . 18863 11 267 1.0 . . 18863 11 268 1.0 . . 18863 11 269 1.0 . . 18863 11 270 1.0 . . 18863 11 271 1.0 . . 18863 11 272 1.0 . . 18863 11 273 1.0 . . 18863 11 274 1.0 . . 18863 11 275 1.0 . . 18863 11 276 1.0 . . 18863 11 277 1.0 . . 18863 11 278 1.0 . . 18863 11 279 1.0 . . 18863 11 280 1.0 . . 18863 11 281 1.0 . . 18863 11 282 1.0 . . 18863 11 283 1.0 . . 18863 11 284 1.0 . . 18863 11 285 1.0 . . 18863 11 286 1.0 . . 18863 11 287 1.0 . . 18863 11 288 1.0 . . 18863 11 289 1.0 . . 18863 11 290 1.0 . . 18863 11 291 1.0 . . 18863 11 292 1.0 . . 18863 11 293 1.0 . . 18863 11 294 1.0 . . 18863 11 295 1.0 . . 18863 11 296 1.0 . . 18863 11 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 109370.8593750 . height 18863 11 1 1666240.6328100 . volume 18863 11 2 87379.5390625 . height 18863 11 2 947255.0080870 . volume 18863 11 3 135676.0468750 . height 18863 11 3 1710551.2695300 . volume 18863 11 4 71699.1640625 . height 18863 11 4 942836.7832490 . volume 18863 11 5 84294.1562500 . height 18863 11 5 1114474.3872100 . volume 18863 11 6 85414.5937500 . height 18863 11 6 1154212.2036100 . volume 18863 11 7 98775.4765625 . height 18863 11 7 1396378.4514200 . volume 18863 11 8 121306.0312500 . height 18863 11 8 1779597.1445300 . volume 18863 11 9 160020.3906250 . height 18863 11 9 2399711.2851600 . volume 18863 11 10 206217.2343750 . height 18863 11 10 3002247.9668000 . volume 18863 11 11 198483.0781250 . height 18863 11 11 2778271.6015600 . volume 18863 11 12 131995.5156250 . height 18863 11 12 1963259.5703100 . volume 18863 11 13 191831.8906250 . height 18863 11 13 2964118.1484400 . volume 18863 11 14 82483.7968750 . height 18863 11 14 1266698.6064500 . volume 18863 11 15 75610.5078125 . height 18863 11 15 1111371.5878900 . volume 18863 11 16 96371.1171875 . height 18863 11 16 1467887.9052700 . volume 18863 11 17 172684.3281250 . height 18863 11 17 2686907.2265600 . volume 18863 11 18 292210.5312500 . height 18863 11 18 4027128.1875000 . volume 18863 11 19 193175.0312500 . height 18863 11 19 3553221.6669900 . volume 18863 11 20 197493.8906250 . height 18863 11 20 2445801.0371100 . volume 18863 11 21 121504.8515620 . height 18863 11 21 1877249.2890600 . volume 18863 11 22 73148.0703125 . height 18863 11 22 860967.1596680 . volume 18863 11 23 114852.7265620 . height 18863 11 23 1825565.2832000 . volume 18863 11 24 188539.2812500 . height 18863 11 24 2622630.9455000 . volume 18863 11 25 133904.2656250 . height 18863 11 25 1524061.6015600 . volume 18863 11 26 55707.3476562 . height 18863 11 26 624066.4145510 . volume 18863 11 27 94516.8984375 . height 18863 11 27 1239455.5976600 . volume 18863 11 28 268732.3437500 . height 18863 11 28 3912825.6054700 . volume 18863 11 29 226102.6250000 . height 18863 11 29 3167842.6308600 . volume 18863 11 30 226922.6718750 . height 18863 11 30 2920583.0253900 . volume 18863 11 31 184262.6093750 . height 18863 11 31 2974924.4511700 . volume 18863 11 32 156289.4375000 . height 18863 11 32 2232278.0253900 . volume 18863 11 33 130348.7812500 . height 18863 11 33 1572539.1217300 . volume 18863 11 34 76223.5234375 . height 18863 11 34 1430714.3969700 . volume 18863 11 35 402738.0000000 . height 18863 11 35 5805596.6250000 . volume 18863 11 36 83900.9687500 . height 18863 11 36 1278376.9414100 . volume 18863 11 37 187306.7968750 . height 18863 11 37 2619911.1132800 . volume 18863 11 38 83395.9453125 . height 18863 11 38 1273613.1284200 . volume 18863 11 39 76477.0937500 . height 18863 11 39 1103062.6538100 . volume 18863 11 40 83181.5781250 . height 18863 11 40 1235154.3496100 . volume 18863 11 41 189435.0156250 . height 18863 11 41 3121801.0507800 . volume 18863 11 42 154747.7500000 . height 18863 11 42 2275031.6015600 . volume 18863 11 43 44995.1093750 . height 18863 11 43 564665.6698610 . volume 18863 11 44 132961.0937500 . height 18863 11 44 2111537.4062500 . volume 18863 11 45 87911.7890625 . height 18863 11 45 1109340.5595700 . volume 18863 11 46 211938.4687500 . height 18863 11 46 3278529.9023400 . volume 18863 11 47 243491.1406250 . height 18863 11 47 3745525.0781200 . volume 18863 11 48 66528.1093750 . height 18863 11 48 995602.8457030 . volume 18863 11 49 93997.2265625 . height 18863 11 49 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. . . . . . . . 8 18863 11 9 1 8.152 . . . . . . . . . . . . 8 18863 11 9 2 3.620 . . . . . . . . . . . . 8 18863 11 9 3 120.816 . . . . . . . . . . . . 8 18863 11 10 1 7.946 . . . . . . . . . . . . 8 18863 11 10 2 4.018 . . . . . . . . . . . . 8 18863 11 10 3 120.953 . . . . . . . . . . . . 8 18863 11 11 1 8.392 . . . . . . . . . . . . 8 18863 11 11 2 4.344 . . . . . . . . . . . . 8 18863 11 11 3 118.286 . . . . . . . . . . . . 8 18863 11 12 1 8.192 . . . . . . . . . . . . 8 18863 11 12 2 3.925 . . . . . . . . . . . . 8 18863 11 12 3 119.300 . . . . . . . . . . . . 8 18863 11 13 1 8.041 . . . . . . . . . . . . 8 18863 11 13 2 4.044 . . . . . . . . . . . . 8 18863 11 13 3 118.746 . . . . . . . . . . . . 8 18863 11 14 1 8.198 . . . . . . . . . . . . 8 18863 11 14 2 4.040 . . . . . . . . . . . . 8 18863 11 14 3 119.335 . . . . . . . . . . . . 8 18863 11 15 1 8.394 . . . . . . . . . . . . 8 18863 11 15 2 4.046 . . . . . . . . . . . . 8 18863 11 15 3 118.248 . . . . . . . . . . . . 8 18863 11 16 1 8.352 . . . . . . . . . . . . 8 18863 11 16 2 8.552 . . . . . . . . . . . . 8 18863 11 16 3 120.998 . . . . . . . . . . . . 8 18863 11 17 1 8.544 . . . . . . . . . . . . 8 18863 11 17 2 8.308 . . . . . . . . . . . . 8 18863 11 17 3 120.200 . . . . . . . . . . . . 8 18863 11 18 1 8.350 . . . . . . . . . . . . 8 18863 11 18 2 4.017 . . . . . . . . . . . . 8 18863 11 18 3 121.021 . . . . . . . . . . . . 8 18863 11 19 1 8.547 . . . . . . . . . . . . 8 18863 11 19 2 4.405 . . . . . . . . . . . . 8 18863 11 19 3 120.120 . . . . . . . . . . . . 8 18863 11 20 1 8.474 . . . . . . . . . . . . 8 18863 11 20 2 3.980 . . . . . . . . . . . . 8 18863 11 20 3 123.303 . . . . . . . . . . . . 8 18863 11 21 1 8.555 . . . . . . . . . . . . 8 18863 11 21 2 3.994 . . . . . . . . . . . . 8 18863 11 21 3 119.966 . . . . . . . . . . . . 8 18863 11 22 1 8.474 . . . . . . . . . . . . 8 18863 11 22 2 3.599 . . . . . . . . . . . . 8 18863 11 22 3 123.450 . . . . . . . . . . . . 8 18863 11 23 1 8.554 . . . . . . . . . . . . 8 18863 11 23 2 8.192 . . . . . . . . . . . . 8 18863 11 23 3 120.991 . . . . . . . . . . . . 8 18863 11 24 1 8.200 . . . . . . . . . . . . 8 18863 11 24 2 8.558 . . . . . . . . . . . . 8 18863 11 24 3 115.997 . . . . . . . . . . . . 8 18863 11 25 1 8.146 . . . . . . . . . . . . 8 18863 11 25 2 8.314 . . . . . . . . . . . . 8 18863 11 25 3 122.908 . . . . . . . . . . . . 8 18863 11 26 1 8.298 . . . . . . . . . . . . 8 18863 11 26 2 8.147 . . . . . . . . . . . . 8 18863 11 26 3 123.405 . . . . . . . . . . . . 8 18863 11 27 1 8.297 . . . . . . . . . . . . 8 18863 11 27 2 8.601 . . . . . . . . . . . . 8 18863 11 27 3 123.252 . . . . . . . . . . . . 8 18863 11 28 1 8.551 . . . . . . . . . . . . 8 18863 11 28 2 4.038 . . . . . . . . . . . . 8 18863 11 28 3 120.999 . . . . . . . . . . . . 8 18863 11 29 1 8.201 . . . . . . . . . . . . 8 18863 11 29 2 4.068 . . . . . . . . . . . . 8 18863 11 29 3 115.983 . . . . . . . . . . . . 8 18863 11 30 1 8.201 . . . . . . . . . . . . 8 18863 11 30 2 3.978 . . . . . . . . . . . . 8 18863 11 30 3 115.999 . . . . . . . . . . . . 8 18863 11 31 1 8.201 . . . . . . . . . . . . 8 18863 11 31 2 4.151 . . . . . . . . . . . . 8 18863 11 31 3 115.943 . . . . . . . . . . . . 8 18863 11 32 1 8.142 . . . . . . . . . . . . 8 18863 11 32 2 3.644 . . . . . . . . . . . . 8 18863 11 32 3 122.884 . . . . . . . . . . . . 8 18863 11 33 1 8.144 . . . . . . . . . . . . 8 18863 11 33 2 3.962 . . . . . . . . . . . . 8 18863 11 33 3 122.884 . . . . . . . . . . . . 8 18863 11 34 1 8.291 . . . . . . . . . . . . 8 18863 11 34 2 3.985 . . . . . . . . . . . . 8 18863 11 34 3 123.380 . . . . . . . . . . . . 8 18863 11 35 1 8.595 . . . . . . . . . . . . 8 18863 11 35 2 3.850 . . . . . . . . . . . . 8 18863 11 35 3 107.404 . . . . . . . . . . . . 8 18863 11 36 1 8.595 . . . . . . . . . . . . 8 18863 11 36 2 4.086 . . . . . . . . . . . . 8 18863 11 36 3 107.378 . . . . . . . . . . . . 8 18863 11 37 1 8.594 . . . . . . . . . . . . 8 18863 11 37 2 8.312 . . . . . . . . . . . . 8 18863 11 37 3 107.408 . . . . . . . . . . . . 8 18863 11 38 1 8.317 . . . . . . . . . . . . 8 18863 11 38 2 8.590 . . . . . . . . . . . . 8 18863 11 38 3 124.887 . . . . . . . . . . . . 8 18863 11 39 1 8.315 . . . . . . . . . . . . 8 18863 11 39 2 8.451 . . . . . . . . . . . . 8 18863 11 39 3 125.008 . . . . . . . . . . . . 8 18863 11 40 1 8.423 . . . . . . . . . . . . 8 18863 11 40 2 8.553 . . . . . . . . . . . . 8 18863 11 40 3 116.101 . . . . . . . . . . . . 8 18863 11 41 1 8.315 . . . . . . . . . . . . 8 18863 11 41 2 4.099 . . . . . . . . . . . . 8 18863 11 41 3 124.812 . . . . . . . . . . . . 8 18863 11 42 1 8.315 . . . . . . . . . . . . 8 18863 11 42 2 3.849 . . . . . . . . . . . . 8 18863 11 42 3 124.848 . . . . . . . . . . . . 8 18863 11 44 1 8.421 . . . . . . . . . . . . 8 18863 11 44 2 4.301 . . . . . . . . . . . . 8 18863 11 44 3 115.911 . . . . . . . . . . . . 8 18863 11 45 1 8.422 . . . . . . . . . . . . 8 18863 11 45 2 4.099 . . . . . . . . . . . . 8 18863 11 45 3 115.971 . . . . . . . . . . . . 8 18863 11 46 1 8.539 . . . . . . . . . . . . 8 18863 11 46 2 3.957 . . . . . . . . . . . . 8 18863 11 46 3 109.962 . . . . . . . . . . . . 8 18863 11 47 1 8.542 . . . . . . . . . . . . 8 18863 11 47 2 3.831 . . . . . . . . . . . . 8 18863 11 47 3 109.938 . . . . . . . . . . . . 8 18863 11 48 1 8.541 . . . . . . . . . . . . 8 18863 11 48 2 8.223 . . . . . . . . . . . . 8 18863 11 48 3 110.077 . . . . . . . . . . . . 8 18863 11 49 1 8.207 . . . . . . . . . . . . 8 18863 11 49 2 8.538 . . . . . . . . . . . . 8 18863 11 49 3 122.889 . . . . . . . . . . . . 8 18863 11 50 1 8.214 . . . . . . . . . . . . 8 18863 11 50 2 4.061 . . . . . . . . . . . . 8 18863 11 50 3 123.016 . . . . . . . . . . . . 8 18863 11 51 1 8.214 . . . . . . . . . . . . 8 18863 11 51 2 3.841 . . . . . . . . . . . . 8 18863 11 51 3 122.901 . . . . . . . . . . . . 8 18863 11 52 1 8.108 . . . . . . . . . . . . 8 18863 11 52 2 4.094 . . . . . . . . . . . . 8 18863 11 52 3 120.551 . . . . . . . . . . . . 8 18863 11 53 1 8.106 . . . . . . . . . . . . 8 18863 11 53 2 3.830 . . . . . . . . . . . . 8 18863 11 53 3 120.543 . . . . . . . . . . . . 8 18863 11 54 1 8.176 . . . . . . . . . . . . 8 18863 11 54 2 3.831 . . . . . . . . . . . . 8 18863 11 54 3 114.542 . . . . . . . . . . . . 8 18863 11 55 1 8.132 . . . . . . . . . . . . 8 18863 11 55 2 8.302 . . . . . . . . . . . . 8 18863 11 55 3 120.896 . . . . . . . . . . . . 8 18863 11 56 1 8.130 . . . . . . . . . . . . 8 18863 11 56 2 8.464 . . . . . . . . . . . . 8 18863 11 56 3 120.982 . . . . . . . . . . . . 8 18863 11 57 1 8.477 . . . . . . . . . . . . 8 18863 11 57 2 8.129 . . . . . . . . . . . . 8 18863 11 57 3 119.100 . . . . . . . . . . . . 8 18863 11 58 1 8.135 . . . . . . . . . . . . 8 18863 11 58 2 3.973 . . . . . . . . . . . . 8 18863 11 58 3 120.886 . . . . . . . . . . . . 8 18863 11 59 1 8.182 . . . . . . . . . . . . 8 18863 11 59 2 3.989 . . . . . . . . . . . . 8 18863 11 59 3 121.556 . . . . . . . . . . . . 8 18863 11 60 1 7.995 . . . . . . . . . . . . 8 18863 11 60 2 4.031 . . . . . . . . . . . . 8 18863 11 60 3 119.524 . . . . . . . . . . . . 8 18863 11 61 1 7.518 . . . . . . . . . . . . 8 18863 11 61 2 8.010 . . . . . . . . . . . . 8 18863 11 61 3 118.308 . . . . . . . . . . . . 8 18863 11 62 1 8.008 . . . . . . . . . . . . 8 18863 11 62 2 7.525 . . . . . . . . . . . . 8 18863 11 62 3 106.045 . . . . . . . . . . . . 8 18863 11 63 1 7.614 . . . . . . . . . . . . 8 18863 11 63 2 7.546 . . . . . . . . . . . . 8 18863 11 63 3 118.015 . . . . . . . . . . . . 8 18863 11 64 1 7.608 . . . . . . . . . . . . 8 18863 11 64 2 7.840 . . . . . . . . . . . . 8 18863 11 64 3 118.146 . . . . . . . . . . . . 8 18863 11 65 1 8.416 . . . . . . . . . . . . 8 18863 11 65 2 7.967 . . . . . . . . . . . . 8 18863 11 65 3 106.229 . . . . . . . . . . . . 8 18863 11 66 1 7.956 . . . . . . . . . . . . 8 18863 11 66 2 8.410 . . . . . . . . . . . . 8 18863 11 66 3 123.638 . . . . . . . . . . . . 8 18863 11 67 1 7.960 . . . . . . . . . . . . 8 18863 11 67 2 8.099 . . . . . . . . . . . . 8 18863 11 67 3 123.724 . . . . . . . . . . . . 8 18863 11 68 1 8.080 . . . . . . . . . . . . 8 18863 11 68 2 7.866 . . . . . . . . . . . . 8 18863 11 68 3 120.337 . . . . . . . . . . . . 8 18863 11 69 1 7.998 . . . . . . . . . . . . 8 18863 11 69 2 3.677 . . . . . . . . . . . . 8 18863 11 69 3 106.136 . . . . . . . . . . . . 8 18863 11 70 1 8.001 . . . . . . . . . . . . 8 18863 11 70 2 3.519 . . . . . . . . . . . . 8 18863 11 70 3 106.032 . . . . . . . . . . . . 8 18863 11 71 1 7.518 . . . . . . . . . . . . 8 18863 11 71 2 4.036 . . . . . . . . . . . . 8 18863 11 71 3 118.334 . . . . . . . . . . . . 8 18863 11 72 1 7.607 . . . . . . . . . . . . 8 18863 11 72 2 4.256 . . . . . . . . . . . . 8 18863 11 72 3 118.093 . . . . . . . . . . . . 8 18863 11 73 1 8.409 . . . . . . . . . . . . 8 18863 11 73 2 3.828 . . . . . . . . . . . . 8 18863 11 73 3 106.251 . . . . . . . . . . . . 8 18863 11 74 1 7.957 . . . . . . . . . . . . 8 18863 11 74 2 4.121 . . . . . . . . . . . . 8 18863 11 74 3 123.680 . . . . . . . . . . . . 8 18863 11 75 1 8.081 . . . . . . . . . . . . 8 18863 11 75 2 4.081 . . . . . . . . . . . . 8 18863 11 75 3 120.268 . . . . . . . . . . . . 8 18863 11 76 1 8.088 . . . . . . . . . . . . 8 18863 11 76 2 4.032 . . . . . . . . . . . . 8 18863 11 76 3 119.475 . . . . . . . . . . . . 8 18863 11 77 1 7.863 . . . . . . . . . . . . 8 18863 11 77 2 8.078 . . . . . . . . . . . . 8 18863 11 77 3 117.039 . . . . . . . . . . . . 8 18863 11 78 1 7.864 . . . . . . . . . . . . 8 18863 11 78 2 4.286 . . . . . . . . . . . . 8 18863 11 78 3 117.022 . . . . . . . . . . . . 8 18863 11 79 1 8.405 . . . . . . . . . . . . 8 18863 11 79 2 4.284 . . . . . . . . . . . . 8 18863 11 79 3 106.321 . . . . . . . . . . . . 8 18863 11 80 1 8.080 . . . . . . . . . . . . 8 18863 11 80 2 4.293 . . . . . . . . . . . . 8 18863 11 80 3 120.265 . . . . . . . . . . . . 8 18863 11 81 1 7.613 . . . . . . . . . . . . 8 18863 11 81 2 4.044 . . . . . . . . . . . . 8 18863 11 81 3 118.161 . . . . . . . . . . . . 8 18863 11 82 1 7.515 . . . . . . . . . . . . 8 18863 11 82 2 3.509 . . . . . . . . . . . . 8 18863 11 82 3 118.201 . . . . . . . . . . . . 8 18863 11 83 1 7.968 . . . . . . . . . . . . 8 18863 11 83 2 7.717 . . . . . . . . . . . . 8 18863 11 83 3 106.782 . . . . . . . . . . . . 8 18863 11 84 1 7.965 . . . . . . . . . . . . 8 18863 11 84 2 3.770 . . . . . . . . . . . . 8 18863 11 84 3 106.785 . . . . . . . . . . . . 8 18863 11 85 1 7.745 . . . . . . . . . . . . 8 18863 11 85 2 4.087 . . . . . . . . . . . . 8 18863 11 85 3 117.115 . . . . . . . . . . . . 8 18863 11 86 1 7.969 . . . . . . . . . . . . 8 18863 11 86 2 4.276 . . . . . . . . . . . . 8 18863 11 86 3 106.778 . . . . . . . . . . . . 8 18863 11 87 1 8.052 . . . . . . . . . . . . 8 18863 11 87 2 4.321 . . . . . . . . . . . . 8 18863 11 87 3 117.120 . . . . . . . . . . . . 8 18863 11 88 1 7.835 . . . . . . . . . . . . 8 18863 11 88 2 3.988 . . . . . . . . . . . . 8 18863 11 88 3 121.673 . . . . . . . . . . . . 8 18863 11 89 1 7.884 . . . . . . . . . . . . 8 18863 11 89 2 4.269 . . . . . . . . . . . . 8 18863 11 89 3 116.467 . . . . . . . . . . . . 8 18863 11 90 1 7.739 . . . . . . . . . . . . 8 18863 11 90 2 3.812 . . . . . . . . . . . . 8 18863 11 90 3 117.111 . . . . . . . . . . . . 8 18863 11 91 1 7.885 . . . . . . . . . . . . 8 18863 11 91 2 3.996 . . . . . . . . . . . . 8 18863 11 91 3 116.530 . . . . . . . . . . . . 8 18863 11 92 1 7.833 . . . . . . . . . . . . 8 18863 11 92 2 4.281 . . . . . . . . . . . . 8 18863 11 92 3 121.621 . . . . . . . . . . . . 8 18863 11 93 1 8.057 . . . . . . . . . . . . 8 18863 11 93 2 7.745 . . . . . . . . . . . . 8 18863 11 93 3 122.811 . . . . . . . . . . . . 8 18863 11 94 1 7.736 . . . . . . . . . . . . 8 18863 11 94 2 8.037 . . . . . . . . . . . . 8 18863 11 94 3 117.090 . . . . . . . . . . . . 8 18863 11 95 1 8.061 . . . . . . . . . . . . 8 18863 11 95 2 4.547 . . . . . . . . . . . . 8 18863 11 95 3 122.835 . . . . . . . . . . . . 8 18863 11 96 1 7.847 . . . . . . . . . . . . 8 18863 11 96 2 7.210 . . . . . . . . . . . . 8 18863 11 96 3 119.481 . . . . . . . . . . . . 8 18863 11 97 1 7.207 . . . . . . . . . . . . 8 18863 11 97 2 7.843 . . . . . . . . . . . . 8 18863 11 97 3 116.296 . . . . . . . . . . . . 8 18863 11 98 1 7.206 . . . . . . . . . . . . 8 18863 11 98 2 4.021 . . . . . . . . . . . . 8 18863 11 98 3 116.290 . . . . . . . . . . . . 8 18863 11 99 1 7.848 . . . . . . . . . . . . 8 18863 11 99 2 3.906 . . . . . . . . . . . . 8 18863 11 99 3 119.467 . . . . . . . . . . . . 8 18863 11 100 1 7.847 . . . . . . . . . . . . 8 18863 11 100 2 4.039 . . . . . . . . . . . . 8 18863 11 100 3 119.388 . . . . . . . . . . . . 8 18863 11 101 1 7.754 . . . . . . . . . . . . 8 18863 11 101 2 7.605 . . . . . . . . . . . . 8 18863 11 101 3 117.469 . . . . . . . . . . . . 8 18863 11 102 1 7.616 . . . . . . . . . . . . 8 18863 11 102 2 7.779 . . . . . . . . . . . . 8 18863 11 102 3 119.995 . . . . . . . . . . . . 8 18863 11 103 1 8.158 . . . . . . . . . . . . 8 18863 11 103 2 7.936 . . . . . . . . . . . . 8 18863 11 103 3 122.636 . . . . . . . . . . . . 8 18863 11 104 1 7.934 . . . . . . . . . . . . 8 18863 11 104 2 8.180 . . . . . . . . . . . . 8 18863 11 104 3 117.688 . . . . . . . . . . . . 8 18863 11 105 1 7.615 . . . . . . . . . . . . 8 18863 11 105 2 4.209 . . . . . . . . . . . . 8 18863 11 105 3 120.035 . . . . . . . . . . . . 8 18863 11 106 1 7.754 . . . . . . . . . . . . 8 18863 11 106 2 4.090 . . . . . . . . . . . . 8 18863 11 106 3 118.052 . . . . . . . . . . . . 8 18863 11 107 1 8.152 . . . . . . . . . . . . 8 18863 11 107 2 4.104 . . . . . . . . . . . . 8 18863 11 107 3 122.645 . . . . . . . . . . . . 8 18863 11 108 1 7.929 . . . . . . . . . . . . 8 18863 11 108 2 4.095 . . . . . . . . . . . . 8 18863 11 108 3 117.766 . . . . . . . . . . . . 8 18863 11 109 1 7.944 . . . . . . . . . . . . 8 18863 11 109 2 4.089 . . . . . . . . . . . . 8 18863 11 109 3 122.280 . . . . . . . . . . . . 8 18863 11 110 1 8.475 . . . . . . . . . . . . 8 18863 11 110 2 8.579 . . . . . . . . . . . . 8 18863 11 110 3 123.010 . . . . . . . . . . . . 8 18863 11 111 1 8.551 . . . . . . . . . . . . 8 18863 11 111 2 8.459 . . . . . . . . . . . . 8 18863 11 111 3 120.417 . . . . . . . . . . . . 8 18863 11 112 1 8.170 . . . . . . . . . . . . 8 18863 11 112 2 8.097 . . . . . . . . . . . . 8 18863 11 112 3 114.184 . . . . . . . . . . . . 8 18863 11 113 1 8.173 . . . . . . . . . . . . 8 18863 11 113 2 3.971 . . . . . . . . . . . . 8 18863 11 113 3 114.544 . . . . . . . . . . . . 8 18863 11 114 1 8.285 . . . . . . . . . . . . 8 18863 11 114 2 8.179 . . . . . . . . . . . . 8 18863 11 114 3 120.833 . . . . . . . . . . . . 8 18863 11 115 1 8.288 . . . . . . . . . . . . 8 18863 11 115 2 4.283 . . . . . . . . . . . . 8 18863 11 115 3 120.205 . . . . . . . . . . . . 8 18863 11 116 1 8.270 . . . . . . . . . . . . 8 18863 11 116 2 4.256 . . . . . . . . . . . . 8 18863 11 116 3 120.389 . . . . . . . . . . . . 8 18863 11 117 1 8.488 . . . . . . . . . . . . 8 18863 11 117 2 4.045 . . . . . . . . . . . . 8 18863 11 117 3 119.131 . . . . . . . . . . . . 8 18863 11 118 1 8.479 . . . . . . . . . . . . 8 18863 11 118 2 4.384 . . . . . . . . . . . . 8 18863 11 118 3 119.281 . . . . . . . . . . . . 8 18863 11 119 1 8.175 . . . . . . . . . . . . 8 18863 11 119 2 8.558 . . . . . . . . . . . . 8 18863 11 119 3 121.610 . . . . . . . . . . . . 8 18863 11 120 1 8.081 . . . . . . . . . . . . 8 18863 11 120 2 8.232 . . . . . . . . . . . . 8 18863 11 120 3 119.513 . . . . . . . . . . . . 8 18863 11 121 1 7.911 . . . . . . . . . . . . 8 18863 11 121 2 4.099 . . . . . . . . . . . . 8 18863 11 121 3 120.598 . . . . . . . . . . . . 8 18863 11 122 1 8.266 . . . . . . . . . . . . 8 18863 11 122 2 4.053 . . . . . . . . . . . . 8 18863 11 122 3 122.826 . . . . . . . . . . . . 8 18863 11 123 1 8.263 . . . . . . . . . . . . 8 18863 11 123 2 1.411 . . . . . . . . . . . . 8 18863 11 123 3 122.727 . . . . . . . . . . . . 8 18863 11 124 1 8.047 . . . . . . . . . . . . 8 18863 11 124 2 1.731 . . . . . . . . . . . . 8 18863 11 124 3 118.781 . . . . . . . . . . . . 8 18863 11 125 1 8.200 . . . . . . . . . . . . 8 18863 11 125 2 2.198 . . . . . . . . . . . . 8 18863 11 125 3 119.321 . . . . . . . . . . . . 8 18863 11 126 1 8.192 . . . . . . . . . . . . 8 18863 11 126 2 2.121 . . . . . . . . . . . . 8 18863 11 126 3 119.186 . . . . . . . . . . . . 8 18863 11 127 1 8.394 . . . . . . . . . . . . 8 18863 11 127 2 3.020 . . . . . . . . . . . . 8 18863 11 127 3 118.328 . . . . . . . . . . . . 8 18863 11 128 1 8.390 . . . . . . . . . . . . 8 18863 11 128 2 2.605 . . . . . . . . . . . . 8 18863 11 128 3 118.256 . . . . . . . . . . . . 8 18863 11 129 1 8.152 . . . . . . . . . . . . 8 18863 11 129 2 2.303 . . . . . . . . . . . . 8 18863 11 129 3 120.816 . . . . . . . . . . . . 8 18863 11 130 1 8.152 . . . . . . . . . . . . 8 18863 11 130 2 1.067 . . . . . . . . . . . . 8 18863 11 130 3 120.818 . . . . . . . . . . . . 8 18863 11 131 1 8.149 . . . . . . . . . . . . 8 18863 11 131 2 0.905 . . . . . . . . . . . . 8 18863 11 131 3 120.821 . . . . . . . . . . . . 8 18863 11 132 1 8.547 . . . . . . . . . . . . 8 18863 11 132 2 2.899 . . . . . . . . . . . . 8 18863 11 132 3 120.111 . . . . . . . . . . . . 8 18863 11 133 1 8.143 . . . . . . . . . . . . 8 18863 11 133 2 2.135 . . . . . . . . . . . . 8 18863 11 133 3 122.937 . . . . . . . . . . . . 8 18863 11 134 1 8.145 . . . . . . . . . . . . 8 18863 11 134 2 1.042 . . . . . . . . . . . . 8 18863 11 134 3 122.909 . . . . . . . . . . . . 8 18863 11 135 1 8.145 . . . . . . . . . . . . 8 18863 11 135 2 0.885 . . . . . . . . . . . . 8 18863 11 135 3 122.806 . . . . . . . . . . . . 8 18863 11 136 1 8.295 . . . . . . . . . . . . 8 18863 11 136 2 2.129 . . . . . . . . . . . . 8 18863 11 136 3 123.348 . . . . . . . . . . . . 8 18863 11 137 1 8.295 . . . . . . . . . . . . 8 18863 11 137 2 1.481 . . . . . . . . . . . . 8 18863 11 137 3 123.423 . . . . . . . . . . . . 8 18863 11 138 1 8.288 . . . . . . . . . . . . 8 18863 11 138 2 0.884 . . . . . . . . . . . . 8 18863 11 138 3 123.301 . . . . . . . . . . . . 8 18863 11 139 1 8.594 . . . . . . . . . . . . 8 18863 11 139 2 1.487 . . . . . . . . . . . . 8 18863 11 139 3 107.373 . . . . . . . . . . . . 8 18863 11 140 1 8.314 . . . . . . . . . . . . 8 18863 11 140 2 1.497 . . . . . . . . . . . . 8 18863 11 140 3 124.859 . . . . . . . . . . . . 8 18863 11 141 1 8.088 . . . . . . . . . . . . 8 18863 11 141 2 3.168 . . . . . . . . . . . . 8 18863 11 141 3 119.415 . . . . . . . . . . . . 8 18863 11 142 1 8.088 . . . . . . . . . . . . 8 18863 11 142 2 2.877 . . . . . . . . . . . . 8 18863 11 142 3 119.534 . . . . . . . . . . . . 8 18863 11 143 1 8.435 . . . . . . . . . . . . 8 18863 11 143 2 8.842 . . . . . . . . . . . . 8 18863 11 143 3 117.664 . . . . . . . . . . . . 8 18863 11 148 1 8.186 . . . . . . . . . . . . 8 18863 11 148 2 1.770 . . . . . . . . . . . . 8 18863 11 148 3 119.329 . . . . . . . . . . . . 8 18863 11 154 1 7.947 . . . . . . . . . . . . 8 18863 11 154 2 1.740 . . . . . . . . . . . . 8 18863 11 154 3 120.941 . . . . . . . . . . . . 8 18863 11 159 1 8.347 . . . . . . . . . . . . 8 18863 11 159 2 1.626 . . . . . . . . . . . . 8 18863 11 159 3 121.011 . . . . . . . . . . . . 8 18863 11 164 1 8.553 . . . . . . . . . . . . 8 18863 11 164 2 1.606 . . . . . . . . . . . . 8 18863 11 164 3 120.096 . . . . . . . . . . . . 8 18863 11 169 1 8.552 . . . . . . . . . . . . 8 18863 11 169 2 1.489 . . . . . . . . . . . . 8 18863 11 169 3 120.939 . . . . . . . . . . . . 8 18863 11 170 1 8.201 . . . . . . . . . . . . 8 18863 11 170 2 1.488 . . . . . . . . . . . . 8 18863 11 170 3 115.946 . . . . . . . . . . . . 8 18863 11 171 1 8.293 . . . . . . . . . . . . 8 18863 11 171 2 4.097 . . . . . . . . . . . . 8 18863 11 171 3 123.390 . . . . . . . . . . . . 8 18863 11 172 1 8.297 . . . . . . . . . . . . 8 18863 11 172 2 3.642 . . . . . . . . . . . . 8 18863 11 172 3 123.466 . . . . . . . . . . . . 8 18863 11 178 1 8.215 . . . . . . . . . . . . 8 18863 11 178 2 1.738 . . . . . . . . . . . . 8 18863 11 178 3 122.939 . . . . . . . . . . . . 8 18863 11 186 1 8.093 . . . . . . . . . . . . 8 18863 11 186 2 4.285 . . . . . . . . . . . . 8 18863 11 186 3 122.347 . . . . . . . . . . . . 8 18863 11 187 1 8.100 . . . . . . . . . . . . 8 18863 11 187 2 4.103 . . . . . . . . . . . . 8 18863 11 187 3 122.424 . . . . . . . . . . . . 8 18863 11 190 1 8.100 . . . . . . . . . . . . 8 18863 11 190 2 1.938 . . . . . . . . . . . . 8 18863 11 190 3 122.431 . . . . . . . . . . . . 8 18863 11 191 1 8.309 . . . . . . . . . . . . 8 18863 11 191 2 4.010 . . . . . . . . . . . . 8 18863 11 191 3 120.174 . . . . . . . . . . . . 8 18863 11 192 1 8.318 . . . . . . . . . . . . 8 18863 11 192 2 1.631 . . . . . . . . . . . . 8 18863 11 192 3 120.151 . . . . . . . . . . . . 8 18863 11 193 1 8.320 . . . . . . . . . . . . 8 18863 11 193 2 1.041 . . . . . . . . . . . . 8 18863 11 193 3 120.148 . . . . . . . . . . . . 8 18863 11 194 1 8.313 . . . . . . . . . . . . 8 18863 11 194 2 0.851 . . . . . . . . . . . . 8 18863 11 194 3 120.151 . . . . . . . . . . . . 8 18863 11 197 1 8.134 . . . . . . . . . . . . 8 18863 11 197 2 3.037 . . . . . . . . . . . . 8 18863 11 197 3 120.991 . . . . . . . . . . . . 8 18863 11 198 1 8.132 . . . . . . . . . . . . 8 18863 11 198 2 1.952 . . . . . . . . . . . . 8 18863 11 198 3 120.903 . . . . . . . . . . . . 8 18863 11 199 1 8.570 . . . . . . . . . . . . 8 18863 11 199 2 8.175 . . . . . . . . . . . . 8 18863 11 199 3 119.832 . . . . . . . . . . . . 8 18863 11 200 1 8.486 . . . . . . . . . . . . 8 18863 11 200 2 3.062 . . . . . . . . . . . . 8 18863 11 200 3 119.285 . . . . . . . . . . . . 8 18863 11 201 1 8.478 . . . . . . . . . . . . 8 18863 11 201 2 2.763 . . . . . . . . . . . . 8 18863 11 201 3 119.270 . . . . . . . . . . . . 8 18863 11 202 1 8.480 . . . . . . . . . . . . 8 18863 11 202 2 1.946 . . . . . . . . . . . . 8 18863 11 202 3 119.227 . . . . . . . . . . . . 8 18863 11 203 1 8.170 . . . . . . . . . . . . 8 18863 11 203 2 4.360 . . . . . . . . . . . . 8 18863 11 203 3 121.559 . . . . . . . . . . . . 8 18863 11 204 1 8.174 . . . . . . . . . . . . 8 18863 11 204 2 2.777 . . . . . . . . . . . . 8 18863 11 204 3 121.483 . . . . . . . . . . . . 8 18863 11 206 1 7.995 . . . . . . . . . . . . 8 18863 11 206 2 1.438 . . . . . . . . . . . . 8 18863 11 206 3 119.485 . . . . . . . . . . . . 8 18863 11 208 1 8.081 . . . . . . . . . . . . 8 18863 11 208 2 1.408 . . . . . . . . . . . . 8 18863 11 208 3 119.393 . . . . . . . . . . . . 8 18863 11 209 1 8.242 . . . . . . . . . . . . 8 18863 11 209 2 2.863 . . . . . . . . . . . . 8 18863 11 209 3 120.043 . . . . . . . . . . . . 8 18863 11 216 1 7.519 . . . . . . . . . . . . 8 18863 11 216 2 1.671 . . . . . . . . . . . . 8 18863 11 216 3 118.241 . . . . . . . . . . . . 8 18863 11 218 1 7.605 . . . . . . . . . . . . 8 18863 11 218 2 1.670 . . . . . . . . . . . . 8 18863 11 218 3 118.116 . . . . . . . . . . . . 8 18863 11 219 1 7.606 . . . . . . . . . . . . 8 18863 11 219 2 1.453 . . . . . . . . . . . . 8 18863 11 219 3 118.181 . . . . . . . . . . . . 8 18863 11 220 1 7.606 . . . . . . . . . . . . 8 18863 11 220 2 0.775 . . . . . . . . . . . . 8 18863 11 220 3 118.122 . . . . . . . . . . . . 8 18863 11 223 1 7.844 . . . . . . . . . . . . 8 18863 11 223 2 4.272 . . . . . . . . . . . . 8 18863 11 223 3 122.724 . . . . . . . . . . . . 8 18863 11 224 1 7.848 . . . . . . . . . . . . 8 18863 11 224 2 3.666 . . . . . . . . . . . . 8 18863 11 224 3 122.707 . . . . . . . . . . . . 8 18863 11 226 1 7.845 . . . . . . . . . . . . 8 18863 11 226 2 1.673 . . . . . . . . . . . . 8 18863 11 226 3 122.660 . . . . . . . . . . . . 8 18863 11 228 1 7.959 . . . . . . . . . . . . 8 18863 11 228 2 3.822 . . . . . . . . . . . . 8 18863 11 228 3 123.689 . . . . . . . . . . . . 8 18863 11 229 1 7.959 . . . . . . . . . . . . 8 18863 11 229 2 1.413 . . . . . . . . . . . . 8 18863 11 229 3 123.698 . . . . . . . . . . . . 8 18863 11 233 1 7.934 . . . . . . . . . . . . 8 18863 11 233 2 4.250 . . . . . . . . . . . . 8 18863 11 233 3 117.694 . . . . . . . . . . . . 8 18863 11 235 1 7.931 . . . . . . . . . . . . 8 18863 11 235 2 1.287 . . . . . . . . . . . . 8 18863 11 235 3 117.720 . . . . . . . . . . . . 8 18863 11 236 1 7.862 . . . . . . . . . . . . 8 18863 11 236 2 4.082 . . . . . . . . . . . . 8 18863 11 236 3 117.065 . . . . . . . . . . . . 8 18863 11 242 1 7.837 . . . . . . . . . . . . 8 18863 11 242 2 1.261 . . . . . . . . . . . . 8 18863 11 242 3 121.661 . . . . . . . . . . . . 8 18863 11 244 1 7.882 . . . . . . . . . . . . 8 18863 11 244 2 1.262 . . . . . . . . . . . . 8 18863 11 244 3 116.656 . . . . . . . . . . . . 8 18863 11 249 1 7.731 . . . . . . . . . . . . 8 18863 11 249 2 2.085 . . . . . . . . . . . . 8 18863 11 249 3 117.068 . . . . . . . . . . . . 8 18863 11 250 1 7.732 . . . . . . . . . . . . 8 18863 11 250 2 0.864 . . . . . . . . . . . . 8 18863 11 250 3 117.105 . . . . . . . . . . . . 8 18863 11 251 1 8.062 . . . . . . . . . . . . 8 18863 11 251 2 4.063 . . . . . . . . . . . . 8 18863 11 251 3 122.869 . . . . . . . . . . . . 8 18863 11 261 1 7.847 . . . . . . . . . . . . 8 18863 11 261 2 1.521 . . . . . . . . . . . . 8 18863 11 261 3 119.422 . . . . . . . . . . . . 8 18863 11 267 1 7.843 . . . . . . . . . . . . 8 18863 11 267 2 1.492 . . . . . . . . . . . . 8 18863 11 267 3 117.662 . . . . . . . . . . . . 8 18863 11 282 1 7.626 . . . . . . . . . . . . 8 18863 11 282 2 1.747 . . . . . . . . . . . . 8 18863 11 282 3 119.372 . . . . . . . . . . . . 8 18863 11 286 1 8.152 . . . . . . . . . . . . 8 18863 11 286 2 1.294 . . . . . . . . . . . . 8 18863 11 286 3 122.614 . . . . . . . . . . . . 8 18863 11 292 1 7.848 . . . . . . . . . . . . 8 18863 11 292 2 4.150 . . . . . . . . . . . . 8 18863 11 292 3 120.607 . . . . . . . . . . . . 8 18863 11 294 1 8.287 . . . . . . . . . . . . 8 18863 11 294 2 1.916 . . . . . . . . . . . . 8 18863 11 294 3 120.202 . . . . . . . . . . . . 8 18863 11 295 1 8.246 . . . . . . . . . . . . 8 18863 11 295 2 3.955 . . . . . . . . . . . . 8 18863 11 295 3 120.135 . . . . . . . . . . . . 8 18863 11 296 1 7.615 . . . . . . . . . . . . 8 18863 11 296 2 3.958 . . . . . . . . . . . . 8 18863 11 296 3 120.055 . . . . . . . . . . . . 8 18863 11 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 . . 8.048 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 11 1 2 1 . . 8.193 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 1 3 1 . . 118.811 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 11 2 1 1 . . 8.196 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 2 2 1 . . 8.032 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 11 2 3 1 . . 119.390 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 3 1 1 . . 8.201 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 3 2 1 . . 8.389 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 3 3 1 . . 119.306 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 4 1 1 . . 8.385 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 4 2 1 . . 8.185 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 4 3 1 . . 118.306 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 11 5 1 1 . . 8.397 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 5 2 1 . . 7.951 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 11 5 3 1 . . 118.323 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 11 6 1 1 . . 7.946 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 11 6 2 1 . . 8.379 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 6 3 1 . . 120.880 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 11 7 1 1 . . 7.947 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 11 7 2 1 . . 8.145 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 11 7 3 1 . . 120.794 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 11 8 1 1 . . 8.149 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 11 8 2 1 . . 7.933 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 11 8 3 1 . . 120.839 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 11 9 1 1 . . 8.152 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 11 9 2 1 . . 3.620 . . 1 . 1 1 25 VAL HA . . . . . . . . . . 261 . 18863 11 9 3 1 . . 120.816 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 11 10 1 1 . . 7.946 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 11 10 2 1 . . 4.018 . . 1 . 1 1 24 LEU HA . . . . . . . . . . 584 . 18863 11 10 2 2 . . 4.018 . . 1 . 1 1 20 ALA HA . . . . . . . . . . 244 . 18863 11 10 2 3 . . 4.018 . . 1 . 1 1 21 LEU HA . . . . . . . . . . 247 . 18863 11 10 3 1 . . 120.953 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 11 11 1 1 . . 8.392 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 11 2 1 . . 4.344 . . 1 . 1 1 23 ASN HA . . . . . . . . . . 257 . 18863 11 11 3 1 . . 118.286 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 11 12 1 1 . . 8.192 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 12 2 1 . . 3.925 . . 1 . 1 1 22 GLU HA . . . . . . . . . . 468 . 18863 11 12 3 1 . . 119.300 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 13 1 1 . . 8.041 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 11 13 2 1 . . 4.044 . . 1 . 1 1 21 LEU HA . . . . . . . . . . 247 . 18863 11 13 2 2 . . 4.044 . . 1 . 1 1 20 ALA HA . . . . . . . . . . 244 . 18863 11 13 3 1 . . 118.746 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 11 14 1 1 . . 8.198 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 14 2 1 . . 4.040 . . 1 . 1 1 21 LEU HA . . . . . . . . . . 247 . 18863 11 14 3 1 . . 119.335 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 15 1 1 . . 8.394 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 15 2 1 . . 4.046 . . 1 . 1 1 21 LEU HA . . . . . . . . . . 247 . 18863 11 15 2 2 . . 4.046 . . 1 . 1 1 20 ALA HA . . . . . . . . . . 244 . 18863 11 15 3 1 . . 118.248 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 11 16 1 1 . . 8.352 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 11 16 2 1 . . 8.552 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 16 3 1 . . 120.998 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 11 17 1 1 . . 8.544 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 17 2 1 . . 8.308 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 11 17 3 1 . . 120.200 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 11 18 1 1 . . 8.350 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 11 18 2 1 . . 4.017 . . 1 . 1 1 27 LEU HA . . . . . . . . . . 585 . 18863 11 18 3 1 . . 121.021 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 11 19 1 1 . . 8.547 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 19 2 1 . . 4.405 . . 1 . 1 1 28 ASN HA . . . . . . . . . . 268 . 18863 11 19 3 1 . . 120.120 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 11 20 1 1 . . 8.474 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 11 20 2 1 . . 3.980 . . 1 . 1 1 29 ALA HA . . . . . . . . . . 272 . 18863 11 20 3 1 . . 123.303 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 11 21 1 1 . . 8.555 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 21 2 1 . . 3.994 . . 1 . 1 1 27 LEU HA . . . . . . . . . . 585 . 18863 11 21 2 2 . . 3.994 . . 1 . 1 1 24 LEU HA . . . . . . . . . . 584 . 18863 11 21 3 1 . . 119.966 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 11 22 1 1 . . 8.474 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 11 22 2 1 . . 3.599 . . 1 . 1 1 25 VAL HA . . . . . . . . . . 261 . 18863 11 22 3 1 . . 123.450 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 11 23 1 1 . . 8.554 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 11 23 2 1 . . 8.192 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 11 23 3 1 . . 120.991 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 11 24 1 1 . . 8.200 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 11 24 2 1 . . 8.558 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 11 24 3 1 . . 115.997 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 11 25 1 1 . . 8.146 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 25 2 1 . . 8.314 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 25 3 1 . . 122.908 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 11 26 1 1 . . 8.298 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 26 2 1 . . 8.147 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 26 3 1 . . 123.405 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 27 1 1 . . 8.297 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 27 2 1 . . 8.601 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 11 27 3 1 . . 123.252 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 28 1 1 . . 8.551 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 11 28 2 1 . . 4.038 . . 1 . 1 1 27 LEU HA . . . . . . . . . . 585 . 18863 11 28 2 2 . . 4.038 . . 1 . 1 1 30 ALA HA . . . . . . . . . . 289 . 18863 11 28 3 1 . . 120.999 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 11 29 1 1 . . 8.201 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 11 29 2 1 . . 4.068 . . 1 . 1 1 31 SER HB2 . . . . . . . . . . 278 . 18863 11 29 3 1 . . 115.983 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 11 30 1 1 . . 8.201 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 11 30 2 1 . . 3.978 . . 1 . 1 1 31 SER HB2 . . . . . . . . . . 278 . 18863 11 30 3 1 . . 115.999 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 11 31 1 1 . . 8.201 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 11 31 2 1 . . 4.151 . . 1 . 1 1 31 SER HA . . . . . . . . . . 276 . 18863 11 31 3 1 . . 115.943 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 11 32 1 1 . . 8.142 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 32 2 1 . . 3.644 . . 1 . 1 1 32 VAL HA . . . . . . . . . . 283 . 18863 11 32 3 1 . . 122.884 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 11 33 1 1 . . 8.144 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 33 2 1 . . 3.962 . . 1 . 1 1 29 ALA HA . . . . . . . . . . 272 . 18863 11 34 1 1 . . 8.291 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 34 2 2 . . 3.985 . . 1 . 1 1 29 ALA HA . . . . . . . . . . 272 . 18863 11 34 3 1 . . 123.380 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 35 1 1 . . 8.595 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 11 35 2 1 . . 3.850 . . 1 . 1 1 34 GLY HA2 . . . . . . . . . . 298 . 18863 11 35 2 2 . . 3.850 . . 1 . 1 1 34 GLY HA3 . . . . . . . . . . 485 . 18863 11 35 3 1 . . 107.404 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 11 36 1 1 . . 8.595 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 11 36 2 1 . . 4.086 . . 1 . 1 1 31 SER HB3 . . . . . . . . . . 280 . 18863 11 36 2 2 . . 4.086 . . 1 . 1 1 35 ALA HA . . . . . . . . . . 292 . 18863 11 36 2 3 . . 4.086 . . 1 . 1 1 33 ALA HA . . . . . . . . . . 285 . 18863 11 36 3 1 . . 107.378 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 11 37 1 1 . . 8.594 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 11 37 2 1 . . 8.312 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 37 2 2 . . 8.312 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 11 37 3 1 . . 107.408 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 11 38 1 1 . . 8.317 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 11 38 2 1 . . 8.590 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 11 38 3 1 . . 124.887 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 11 39 1 1 . . 8.315 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 11 39 2 1 . . 8.451 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 11 39 3 1 . . 125.008 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 11 40 1 1 . . 8.423 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 11 40 2 1 . . 8.553 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 11 40 3 1 . . 116.101 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 11 41 1 1 . . 8.315 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 11 41 2 1 . . 4.099 . . 1 . 1 1 35 ALA HA . . . . . . . . . . 292 . 18863 11 41 3 1 . . 124.812 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 11 42 1 1 . . 8.315 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 11 42 2 1 . . 3.849 . . 1 . 1 1 34 GLY HA2 . . . . . . . . . . 298 . 18863 11 42 2 2 . . 3.849 . . 1 . 1 1 34 GLY HA3 . . . . . . . . . . 485 . 18863 11 42 3 1 . . 124.848 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 11 44 1 1 . . 8.421 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 11 44 2 1 . . 4.301 . . 1 . 1 1 36 HIS HA . . . . . . . . . . 296 . 18863 11 44 3 1 . . 115.911 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 11 45 1 1 . . 8.422 . . 1 . 1 1 36 HIS H . . . . . . . . . . 133 . 18863 11 45 2 1 . . 4.099 . . 1 . 1 1 35 ALA HA . . . . . . . . . . 292 . 18863 11 45 2 2 . . 4.099 . . 1 . 1 1 39 LEU HA . . . . . . . . . . 304 . 18863 11 45 3 1 . . 115.971 . . 1 . 1 1 36 HIS N . . . . . . . . . . 134 . 18863 11 46 1 1 . . 8.539 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 11 46 2 1 . . 3.957 . . 1 . 1 1 37 GLY HA3 . . . . . . . . . . 391 . 18863 11 46 2 2 . . 3.957 . . 1 . 1 1 33 ALA HA . . . . . . . . . . 285 . 18863 11 46 3 1 . . 109.962 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 11 47 1 1 . . 8.542 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 11 47 2 1 . . 3.831 . . 1 . 1 1 34 GLY HA3 . . . . . . . . . . 485 . 18863 11 47 2 2 . . 3.831 . . 1 . 1 1 34 GLY HA2 . . . . . . . . . . 298 . 18863 11 47 2 3 . . 3.831 . . 1 . 1 1 37 GLY HA2 . . . . . . . . . . 290 . 18863 11 47 3 1 . . 109.938 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 11 48 1 1 . . 8.541 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 11 48 2 1 . . 8.223 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 11 48 3 1 . . 110.077 . . 1 . 1 1 37 GLY N . . . . . . . . . . 146 . 18863 11 49 1 1 . . 8.207 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 11 49 2 1 . . 8.538 . . 1 . 1 1 37 GLY H . . . . . . . . . . 145 . 18863 11 49 3 1 . . 122.889 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 11 50 1 1 . . 8.214 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 11 50 2 1 . . 4.061 . . 1 . 1 1 35 ALA HA . . . . . . . . . . 292 . 18863 11 50 3 1 . . 123.016 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 11 51 1 1 . . 8.214 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 11 51 2 1 . . 3.841 . . 1 . 1 1 38 ILE HA . . . . . . . . . . 302 . 18863 11 51 2 2 . . 3.841 . . 1 . 1 1 37 GLY HA2 . . . . . . . . . . 290 . 18863 11 51 3 1 . . 122.901 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 11 52 1 1 . . 8.108 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 11 52 2 1 . . 4.094 . . 1 . 1 1 39 LEU HA . . . . . . . . . . 304 . 18863 11 52 3 1 . . 120.551 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 11 53 1 1 . . 8.106 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 11 53 2 1 . . 3.830 . . 1 . 1 1 38 ILE HA . . . . . . . . . . 302 . 18863 11 53 2 2 . . 3.830 . . 1 . 1 1 37 GLY HA2 . . . . . . . . . . 290 . 18863 11 53 3 1 . . 120.543 . . 1 . 1 1 39 LEU N . . . . . . . . . . 52 . 18863 11 54 1 1 . . 8.176 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 11 54 2 5 . . 3.831 . . 1 . 1 1 40 SER HB2 . . . . . . . . . . 308 . 18863 11 54 2 6 . . 3.831 . . 1 . 1 1 40 SER HA . . . . . . . . . . 311 . 18863 11 54 3 1 . . 114.542 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 11 55 1 1 . . 8.132 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 55 2 1 . . 8.302 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 11 55 3 1 . . 120.896 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 11 56 1 1 . . 8.130 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 56 2 1 . . 8.464 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 56 3 1 . . 120.982 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 11 57 1 1 . . 8.477 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 57 2 1 . . 8.129 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 57 3 1 . . 119.100 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 11 58 1 1 . . 8.135 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 58 2 2 . . 3.973 . . 1 . 1 1 44 PHE HA . . . . . . . . . . 323 . 18863 11 58 3 1 . . 120.886 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 11 59 1 1 . . 8.182 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 11 59 2 1 . . 3.989 . . 1 . 1 1 46 CYS HA . . . . . . . . . . 507 . 18863 11 59 3 1 . . 121.556 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 11 60 1 1 . . 7.995 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 11 60 2 1 . . 4.031 . . 1 . 1 1 47 ALA HA . . . . . . . . . . 408 . 18863 11 60 3 1 . . 119.524 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 11 61 1 1 . . 7.518 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 11 61 2 1 . . 8.010 . . 1 . 1 1 53 GLY H . . . . . . . . . . 182 . 18863 11 61 3 1 . . 118.308 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 11 62 1 1 . . 8.008 . . 1 . 1 1 53 GLY H . . . . . . . . . . 182 . 18863 11 62 2 1 . . 7.525 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 11 62 3 1 . . 106.045 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 11 63 1 1 . . 7.614 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 63 2 1 . . 7.546 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 11 63 3 1 . . 118.015 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 64 1 1 . . 7.608 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 64 2 1 . . 7.840 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 11 64 3 1 . . 118.146 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 65 2 1 . . 7.967 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 11 65 3 1 . . 106.229 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 11 66 1 1 . . 7.956 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 11 66 3 1 . . 123.638 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 11 67 1 1 . . 7.960 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 11 67 2 1 . . 8.099 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 11 67 3 1 . . 123.724 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 11 68 1 1 . . 8.080 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 11 68 2 2 . . 7.866 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 11 68 3 1 . . 120.337 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 11 69 1 1 . . 7.998 . . 1 . 1 1 53 GLY H . . . . . . . . . . 182 . 18863 11 69 2 1 . . 3.677 . . 1 . 1 1 53 GLY HA3 . . . . . . . . . . 424 . 18863 11 69 3 1 . . 106.136 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 11 70 1 1 . . 8.001 . . 1 . 1 1 53 GLY H . . . . . . . . . . 182 . 18863 11 70 2 1 . . 3.519 . . 1 . 1 1 53 GLY HA2 . . . . . . . . . . 422 . 18863 11 70 3 1 . . 106.032 . . 1 . 1 1 53 GLY N . . . . . . . . . . 162 . 18863 11 71 1 1 . . 7.518 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 11 71 2 1 . . 4.036 . . 1 . 1 1 54 ARG HA . . . . . . . . . . 332 . 18863 11 71 3 1 . . 118.334 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 11 72 1 1 . . 7.607 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 72 2 1 . . 4.256 . . 1 . 1 1 55 LEU HA . . . . . . . . . . 334 . 18863 11 72 3 1 . . 118.093 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 73 2 1 . . 3.828 . . 1 . 1 1 58 GLY HA2 . . . . . . . . . . 340 . 18863 11 73 2 2 . . 3.828 . . 1 . 1 1 58 GLY HA3 . . . . . . . . . . 430 . 18863 11 73 3 1 . . 106.251 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 11 74 1 1 . . 7.957 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 11 74 3 1 . . 123.680 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 11 75 1 1 . . 8.081 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 11 75 2 1 . . 4.081 . . 1 . 1 1 60 ALA HA . . . . . . . . . . 346 . 18863 11 75 3 1 . . 120.268 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 11 77 1 1 . . 7.863 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 11 77 2 1 . . 8.078 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 11 77 3 1 . . 117.039 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 11 78 1 1 . . 7.864 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 11 78 2 1 . . 4.286 . . 1 . 1 1 61 TYR HA . . . . . . . . . . 348 . 18863 11 78 3 1 . . 117.022 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 11 79 2 1 . . 4.284 . . 1 . 1 1 61 TYR HA . . . . . . . . . . 348 . 18863 11 79 3 1 . . 106.321 . . 1 . 1 1 58 GLY N . . . . . . . . . . 164 . 18863 11 80 1 1 . . 8.080 . . 1 . 1 1 60 ALA H . . . . . . . . . . 65 . 18863 11 80 2 1 . . 4.293 . . 1 . 1 1 61 TYR HA . . . . . . . . . . 348 . 18863 11 80 2 2 . . 4.293 . . 1 . 1 1 57 PRO HA . . . . . . . . . . 653 . 18863 11 80 3 1 . . 120.265 . . 1 . 1 1 60 ALA N . . . . . . . . . . 66 . 18863 11 81 1 1 . . 7.613 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 81 2 1 . . 4.044 . . 1 . 1 1 54 ARG HA . . . . . . . . . . 332 . 18863 11 81 3 1 . . 118.161 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 82 1 1 . . 7.515 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 11 82 2 1 . . 3.509 . . 1 . 1 1 53 GLY HA2 . . . . . . . . . . 422 . 18863 11 82 3 1 . . 118.201 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 11 83 1 1 . . 7.968 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 11 83 2 1 . . 7.717 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 83 3 1 . . 106.782 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 11 84 1 1 . . 7.965 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 11 84 2 1 . . 3.770 . . 1 . 1 1 65 GLY HA2 . . . . . . . . . . 441 . 18863 11 84 3 1 . . 106.785 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 11 85 1 1 . . 7.745 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 85 2 1 . . 4.087 . . 1 . 1 1 66 VAL HA . . . . . . . . . . 360 . 18863 11 85 3 1 . . 117.115 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 11 86 1 1 . . 7.969 . . 1 . 1 1 65 GLY H . . . . . . . . . . 159 . 18863 11 86 2 1 . . 4.276 . . 1 . 1 1 61 TYR HA . . . . . . . . . . 348 . 18863 11 86 3 1 . . 106.778 . . 1 . 1 1 65 GLY N . . . . . . . . . . 160 . 18863 11 87 1 1 . . 8.052 . . 1 . 1 1 64 TYR H . . . . . . . . . . 129 . 18863 11 87 2 1 . . 4.321 . . 1 . 1 1 64 TYR HA . . . . . . . . . . 354 . 18863 11 87 3 1 . . 117.120 . . 1 . 1 1 64 TYR N . . . . . . . . . . 130 . 18863 11 88 1 1 . . 7.835 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 11 88 2 1 . . 3.988 . . 1 . 1 1 62 ALA HA . . . . . . . . . . 350 . 18863 11 88 3 1 . . 121.673 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 11 89 1 1 . . 7.884 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 11 89 2 1 . . 4.269 . . 1 . 1 1 63 PHE HA . . . . . . . . . . 352 . 18863 11 89 3 1 . . 116.467 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 11 90 1 1 . . 7.739 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 90 2 1 . . 3.812 . . 1 . 1 1 65 GLY HA2 . . . . . . . . . . 441 . 18863 11 90 3 1 . . 117.111 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 11 91 1 1 . . 7.885 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 11 91 2 1 . . 3.996 . . 1 . 1 1 62 ALA HA . . . . . . . . . . 350 . 18863 11 91 3 1 . . 116.530 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 11 92 1 1 . . 7.833 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 11 92 2 1 . . 4.281 . . 1 . 1 1 63 PHE HA . . . . . . . . . . 352 . 18863 11 92 2 2 . . 4.281 . . 1 . 1 1 61 TYR HA . . . . . . . . . . 348 . 18863 11 92 3 1 . . 121.621 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 11 93 1 1 . . 8.057 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 11 93 2 1 . . 7.745 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 93 3 1 . . 122.811 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 11 94 1 1 . . 7.736 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 94 2 1 . . 8.037 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 11 94 3 1 . . 117.090 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 11 95 1 1 . . 8.061 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 11 95 2 1 . . 4.547 . . 1 . 1 1 67 TRP HA . . . . . . . . . . 362 . 18863 11 95 3 1 . . 122.835 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 11 96 1 1 . . 7.847 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 11 96 3 1 . . 119.481 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 11 97 2 1 . . 7.843 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 11 97 3 1 . . 116.296 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 11 98 2 1 . . 4.021 . . 1 . 1 1 69 LEU HA . . . . . . . . . . 366 . 18863 11 98 3 1 . . 116.290 . . 1 . 1 1 69 LEU N . . . . . . . . . . 136 . 18863 11 99 1 1 . . 7.848 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 11 99 2 1 . . 3.906 . . 1 . 1 1 70 LEU HA . . . . . . . . . . 370 . 18863 11 99 3 1 . . 119.467 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 11 100 1 1 . . 7.847 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 11 100 2 1 . . 4.039 . . 1 . 1 1 69 LEU HA . . . . . . . . . . 366 . 18863 11 100 2 2 . . 4.039 . . 1 . 1 1 66 VAL HA . . . . . . . . . . 360 . 18863 11 100 3 1 . . 119.388 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 11 101 1 1 . . 7.754 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 11 101 2 1 . . 7.605 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 11 101 3 1 . . 117.469 . . 1 . 1 1 74 LEU N . . . . . . . . . . 126 . 18863 11 102 1 1 . . 7.616 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 11 102 2 1 . . 7.779 . . 1 . 1 1 74 LEU H . . . . . . . . . . 125 . 18863 11 102 3 1 . . 119.995 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 11 103 1 1 . . 8.158 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 11 103 2 1 . . 7.936 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 11 103 3 1 . . 122.636 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 11 104 1 1 . . 7.934 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 11 104 2 1 . . 8.180 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 11 104 3 1 . . 117.688 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 11 105 1 1 . . 7.615 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 11 105 2 1 . . 4.209 . . 1 . 1 1 75 ALA HA . . . . . . . . . . 374 . 18863 11 105 3 1 . . 120.035 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 11 106 1 1 . . 7.754 . . 1 . 1 1 79 ARG H . . . . . . . . . . 115 . 18863 11 106 2 1 . . 4.090 . . 1 . 1 1 79 ARG HA . . . . . . . . . . 501 . 18863 11 106 3 1 . . 118.052 . . 1 . 1 1 79 ARG N . . . . . . . . . . 116 . 18863 11 107 1 1 . . 8.152 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 11 107 2 1 . . 4.104 . . 1 . 1 1 80 ALA HA . . . . . . . . . . 460 . 18863 11 107 3 1 . . 122.645 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 11 108 1 1 . . 7.929 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 11 108 2 1 . . 4.095 . . 1 . 1 1 81 TYR HA . . . . . . . . . . 378 . 18863 11 108 3 1 . . 117.766 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 11 109 1 1 . . 7.944 . . 1 . 1 1 82 ALA H . . . . . . . . . . 29 . 18863 11 109 2 1 . . 4.089 . . 1 . 1 1 82 ALA HA . . . . . . . . . . 442 . 18863 11 109 3 1 . . 122.280 . . 1 . 1 1 82 ALA N . . . . . . . . . . 30 . 18863 11 110 1 1 . . 8.475 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 11 110 2 1 . . 8.579 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 110 3 1 . . 123.010 . . 1 . 1 1 29 ALA N . . . . . . . . . . 12 . 18863 11 111 1 1 . . 8.551 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 11 111 2 1 . . 8.459 . . 1 . 1 1 29 ALA H . . . . . . . . . . 11 . 18863 11 111 3 1 . . 120.417 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 11 112 1 1 . . 8.170 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 11 112 2 1 . . 8.097 . . 1 . 1 1 39 LEU H . . . . . . . . . . 51 . 18863 11 112 3 1 . . 114.184 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 11 113 1 1 . . 8.173 . . 1 . 1 1 40 SER H . . . . . . . . . . 141 . 18863 11 113 2 1 . . 3.971 . . 1 . 1 1 40 SER HB3 . . . . . . . . . . 407 . 18863 11 113 3 1 . . 114.544 . . 1 . 1 1 40 SER N . . . . . . . . . . 142 . 18863 11 114 1 1 . . 8.285 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 11 114 2 1 . . 8.179 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 114 3 1 . . 120.833 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 11 115 1 2 . . 8.288 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 11 115 2 1 . . 4.283 . . 1 . 1 1 43 VAL HA . . . . . . . . . . 315 . 18863 11 115 3 2 . . 120.205 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 11 117 1 1 . . 8.488 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 117 3 1 . . 119.131 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 11 118 1 1 . . 8.479 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 118 2 1 . . 4.384 . . 1 . 1 1 45 PHE HA . . . . . . . . . . 493 . 18863 11 118 3 1 . . 119.281 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 11 119 1 1 . . 8.175 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 11 119 2 1 . . 8.558 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 119 3 1 . . 121.610 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 11 120 1 1 . . 8.081 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 11 120 2 1 . . 8.232 . . 1 . 1 1 50 TYR H . . . . . . . . . . 55 . 18863 11 120 3 1 . . 119.513 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 11 121 1 1 . . 7.911 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 11 121 2 1 . . 4.099 . . 1 . 1 1 83 ALA HA . . . . . . . . . . 447 . 18863 11 121 2 2 . . 4.099 . . 1 . 1 1 79 ARG HA . . . . . . . . . . 501 . 18863 11 121 3 1 . . 120.598 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 11 122 1 1 . . 8.266 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 11 122 2 1 . . 4.053 . . 1 . 1 1 20 ALA HA . . . . . . . . . . 244 . 18863 11 122 3 1 . . 122.826 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 11 123 1 1 . . 8.263 . . 1 . 1 1 20 ALA H . . . . . . . . . . 17 . 18863 11 123 2 1 . . 1.411 . . 1 . 1 1 20 ALA MB . . . . . . . . . . 245 . 18863 11 123 3 1 . . 122.727 . . 1 . 1 1 20 ALA N . . . . . . . . . . 18 . 18863 11 124 1 1 . . 8.047 . . 1 . 1 1 21 LEU H . . . . . . . . . . 99 . 18863 11 124 2 1 . . 1.731 . . 1 . 1 1 21 LEU HB2 . . . . . . . . . . 248 . 18863 11 124 2 2 . . 1.731 . . 1 . 1 1 21 LEU HB3 . . . . . . . . . . 250 . 18863 11 124 2 3 . . 1.731 . . 1 . 1 1 21 LEU HG . . . . . . . . . . 251 . 18863 11 124 3 1 . . 118.781 . . 1 . 1 1 21 LEU N . . . . . . . . . . 100 . 18863 11 125 1 1 . . 8.200 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 125 2 1 . . 2.198 . . 1 . 1 1 22 GLU HG2 . . . . . . . . . . 598 . 18863 11 125 2 2 . . 2.198 . . 1 . 1 1 22 GLU HG3 . . . . . . . . . . 599 . 18863 11 125 3 1 . . 119.321 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 126 1 1 . . 8.192 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 126 2 1 . . 2.121 . . 1 . 1 1 22 GLU HB2 . . . . . . . . . . 596 . 18863 11 126 2 2 . . 2.121 . . 1 . 1 1 22 GLU HB3 . . . . . . . . . . 597 . 18863 11 126 3 1 . . 119.186 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 127 1 1 . . 8.394 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 127 2 1 . . 3.020 . . 1 . 1 1 23 ASN HB2 . . . . . . . . . . 258 . 18863 11 127 3 1 . . 118.328 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 11 128 1 1 . . 8.390 . . 1 . 1 1 23 ASN H . . . . . . . . . . 101 . 18863 11 128 2 1 . . 2.605 . . 1 . 1 1 23 ASN HB3 . . . . . . . . . . 260 . 18863 11 128 3 1 . . 118.256 . . 1 . 1 1 23 ASN N . . . . . . . . . . 102 . 18863 11 129 1 1 . . 8.152 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 11 129 2 1 . . 2.303 . . 1 . 1 1 25 VAL HB . . . . . . . . . . 262 . 18863 11 129 3 1 . . 120.816 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 11 130 1 1 . . 8.152 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 11 130 2 1 . . 1.067 . . 1 . 1 1 25 VAL MG1 . . . . . . . . . . 264 . 18863 11 130 3 1 . . 120.818 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 11 131 1 1 . . 8.149 . . 1 . 1 1 25 VAL H . . . . . . . . . . 41 . 18863 11 131 2 1 . . 0.905 . . 1 . 1 1 25 VAL MG2 . . . . . . . . . . 266 . 18863 11 131 3 1 . . 120.821 . . 1 . 1 1 25 VAL N . . . . . . . . . . 42 . 18863 11 132 1 1 . . 8.547 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 132 2 1 . . 2.899 . . 1 . 1 1 28 ASN HB2 . . . . . . . . . . 270 . 18863 11 132 3 1 . . 120.111 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 11 133 1 1 . . 8.143 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 133 2 1 . . 2.135 . . 1 . 1 1 32 VAL HB . . . . . . . . . . 281 . 18863 11 133 3 1 . . 122.937 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 11 134 1 1 . . 8.145 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 134 2 1 . . 1.042 . . 1 . 1 1 32 VAL MG1 . . . . . . . . . . 382 . 18863 11 134 3 1 . . 122.909 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 11 135 1 1 . . 8.145 . . 1 . 1 1 32 VAL H . . . . . . . . . . 15 . 18863 11 135 2 1 . . 0.885 . . 1 . 1 1 32 VAL MG2 . . . . . . . . . . 384 . 18863 11 135 3 1 . . 122.806 . . 1 . 1 1 32 VAL N . . . . . . . . . . 16 . 18863 11 136 1 1 . . 8.295 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 136 2 1 . . 2.129 . . 1 . 1 1 32 VAL HB . . . . . . . . . . 281 . 18863 11 136 3 1 . . 123.348 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 137 1 1 . . 8.295 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 137 2 1 . . 1.481 . . 1 . 1 1 33 ALA MB . . . . . . . . . . 386 . 18863 11 137 3 1 . . 123.423 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 138 1 1 . . 8.288 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 138 2 1 . . 0.884 . . 1 . 1 1 32 VAL MG2 . . . . . . . . . . 384 . 18863 11 138 3 1 . . 123.301 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 139 1 1 . . 8.594 . . 1 . 1 1 34 GLY H . . . . . . . . . . 155 . 18863 11 139 2 1 . . 1.487 . . 1 . 1 1 33 ALA MB . . . . . . . . . . 386 . 18863 11 139 3 1 . . 107.373 . . 1 . 1 1 34 GLY N . . . . . . . . . . 156 . 18863 11 140 1 1 . . 8.314 . . 1 . 1 1 35 ALA H . . . . . . . . . . 5 . 18863 11 140 2 1 . . 1.497 . . 1 . 1 1 35 ALA MB . . . . . . . . . . 389 . 18863 11 140 3 1 . . 124.859 . . 1 . 1 1 35 ALA N . . . . . . . . . . 6 . 18863 11 141 1 1 . . 8.088 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 11 141 2 1 . . 3.168 . . 1 . 1 1 49 TRP HB2 . . . . . . . . . . 414 . 18863 11 141 3 1 . . 119.415 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 11 142 1 1 . . 8.088 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 11 142 2 1 . . 2.877 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 11 142 3 1 . . 119.534 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 11 143 1 1 . . 8.435 . . 1 . 1 1 19 LYS H . . . . . . . . . . 107 . 18863 11 143 2 1 . . 8.842 . . 1 . 1 1 18 ASP H . . . . . . . . . . 49 . 18863 11 143 3 1 . . 117.664 . . 1 . 1 1 19 LYS N . . . . . . . . . . 108 . 18863 11 148 1 1 . . 8.186 . . 1 . 1 1 22 GLU H . . . . . . . . . . 87 . 18863 11 148 2 1 . . 1.770 . . 1 . 1 1 21 LEU HG . . . . . . . . . . 251 . 18863 11 148 3 1 . . 119.329 . . 1 . 1 1 22 GLU N . . . . . . . . . . 88 . 18863 11 154 1 1 . . 7.947 . . 1 . 1 1 24 LEU H . . . . . . . . . . 43 . 18863 11 154 2 1 . . 1.740 . . 1 . 1 1 24 LEU HG . . . . . . . . . . 603 . 18863 11 154 3 1 . . 120.941 . . 1 . 1 1 24 LEU N . . . . . . . . . . 44 . 18863 11 159 1 1 . . 8.347 . . 1 . 1 1 27 LEU H . . . . . . . . . . 45 . 18863 11 159 2 1 . . 1.626 . . 1 . 1 1 27 LEU HB3 . . . . . . . . . . 611 . 18863 11 159 3 1 . . 121.011 . . 1 . 1 1 27 LEU N . . . . . . . . . . 46 . 18863 11 164 1 1 . . 8.553 . . 1 . 1 1 28 ASN H . . . . . . . . . . 61 . 18863 11 164 2 1 . . 1.606 . . 1 . 1 1 27 LEU HB3 . . . . . . . . . . 611 . 18863 11 164 3 1 . . 120.096 . . 1 . 1 1 28 ASN N . . . . . . . . . . 62 . 18863 11 169 1 1 . . 8.552 . . 1 . 1 1 30 ALA H . . . . . . . . . . 47 . 18863 11 169 2 1 . . 1.489 . . 1 . 1 1 30 ALA MB . . . . . . . . . . 380 . 18863 11 169 3 1 . . 120.939 . . 1 . 1 1 30 ALA N . . . . . . . . . . 48 . 18863 11 170 1 1 . . 8.201 . . 1 . 1 1 31 SER H . . . . . . . . . . 137 . 18863 11 170 2 1 . . 1.488 . . 1 . 1 1 30 ALA MB . . . . . . . . . . 380 . 18863 11 170 3 1 . . 115.946 . . 1 . 1 1 31 SER N . . . . . . . . . . 138 . 18863 11 171 1 1 . . 8.293 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 171 2 1 . . 4.097 . . 1 . 1 1 33 ALA HA . . . . . . . . . . 285 . 18863 11 171 3 1 . . 123.390 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 172 1 1 . . 8.297 . . 1 . 1 1 33 ALA H . . . . . . . . . . 9 . 18863 11 172 2 1 . . 3.642 . . 1 . 1 1 32 VAL HA . . . . . . . . . . 283 . 18863 11 172 3 1 . . 123.466 . . 1 . 1 1 33 ALA N . . . . . . . . . . 10 . 18863 11 178 1 1 . . 8.215 . . 1 . 1 1 38 ILE H . . . . . . . . . . 13 . 18863 11 178 2 1 . . 1.738 . . 1 . 1 1 38 ILE HG12 . . . . . . . . . . 392 . 18863 11 178 3 1 . . 122.939 . . 1 . 1 1 38 ILE N . . . . . . . . . . 14 . 18863 11 186 1 1 . . 8.093 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 11 186 2 1 . . 4.285 . . 1 . 1 1 43 VAL HA . . . . . . . . . . 315 . 18863 11 186 3 1 . . 122.347 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 11 187 1 1 . . 8.100 . . 1 . 1 1 41 PHE H . . . . . . . . . . 193 . 18863 11 187 2 1 . . 4.103 . . 1 . 1 1 39 LEU HA . . . . . . . . . . 304 . 18863 11 187 3 1 . . 122.424 . . 1 . 1 1 41 PHE N . . . . . . . . . . 594 . 18863 11 190 1 1 . . 8.100 . . 1 . 1 1 41 PHE H . . . . . . . . . . 193 . 18863 11 190 1 2 . . 8.100 . . 1 . 1 1 47 ALA H . . . . . . . . . . 23 . 18863 11 190 2 1 . . 1.938 . . 1 . 1 1 43 VAL HB . . . . . . . . . . 317 . 18863 11 190 3 1 . . 122.431 . . 1 . 1 1 41 PHE N . . . . . . . . . . 594 . 18863 11 190 3 2 . . 122.431 . . 1 . 1 1 47 ALA N . . . . . . . . . . 24 . 18863 11 191 1 1 . . 8.309 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 11 191 2 1 . . 4.010 . . 1 . 1 1 42 LEU HA . . . . . . . . . . 629 . 18863 11 191 3 1 . . 120.174 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 11 192 1 1 . . 8.318 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 11 192 2 1 . . 1.631 . . 1 . 1 1 42 LEU HG . . . . . . . . . . 754 . 18863 11 192 3 1 . . 120.151 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 11 193 1 1 . . 8.320 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 11 193 2 1 . . 1.041 . . 1 . 1 1 42 LEU MD1 . . . . . . . . . . 753 . 18863 11 193 3 1 . . 120.148 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 11 194 1 1 . . 8.313 . . 1 . 1 1 42 LEU H . . . . . . . . . . 59 . 18863 11 194 2 1 . . 0.851 . . 1 . 1 1 42 LEU MD2 . . . . . . . . . . 750 . 18863 11 194 3 1 . . 120.151 . . 1 . 1 1 42 LEU N . . . . . . . . . . 60 . 18863 11 197 1 1 . . 8.134 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 197 2 1 . . 3.037 . . 1 . 1 1 44 PHE HB2 . . . . . . . . . . 742 . 18863 11 197 2 2 . . 3.037 . . 1 . 1 1 44 PHE HB3 . . . . . . . . . . 743 . 18863 11 197 3 1 . . 120.991 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 11 198 1 1 . . 8.132 . . 1 . 1 1 44 PHE H . . . . . . . . . . 39 . 18863 11 198 2 1 . . 1.952 . . 1 . 1 1 43 VAL HB . . . . . . . . . . 317 . 18863 11 198 3 1 . . 120.903 . . 1 . 1 1 44 PHE N . . . . . . . . . . 40 . 18863 11 200 1 1 . . 8.486 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 200 2 1 . . 3.062 . . 1 . 1 1 45 PHE HB2 . . . . . . . . . . 744 . 18863 11 200 3 1 . . 119.285 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 11 201 1 1 . . 8.478 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 201 2 1 . . 2.763 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 11 201 3 1 . . 119.270 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 11 202 1 1 . . 8.480 . . 1 . 1 1 45 PHE H . . . . . . . . . . 85 . 18863 11 202 2 1 . . 1.946 . . 1 . 1 1 43 VAL HB . . . . . . . . . . 317 . 18863 11 202 3 1 . . 119.227 . . 1 . 1 1 45 PHE N . . . . . . . . . . 86 . 18863 11 203 1 1 . . 8.170 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 11 203 2 1 . . 4.360 . . 1 . 1 1 45 PHE HA . . . . . . . . . . 493 . 18863 11 203 3 1 . . 121.559 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 11 204 1 1 . . 8.174 . . 1 . 1 1 46 CYS H . . . . . . . . . . 31 . 18863 11 204 2 1 . . 2.777 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 11 204 3 1 . . 121.483 . . 1 . 1 1 46 CYS N . . . . . . . . . . 32 . 18863 11 206 1 1 . . 7.995 . . 1 . 1 1 48 ALA H . . . . . . . . . . 91 . 18863 11 206 2 1 . . 1.438 . . 1 . 1 1 48 ALA MB . . . . . . . . . . 412 . 18863 11 206 3 1 . . 119.485 . . 1 . 1 1 48 ALA N . . . . . . . . . . 92 . 18863 11 208 1 1 . . 8.081 . . 1 . 1 1 49 TRP H . . . . . . . . . . 81 . 18863 11 208 2 1 . . 1.408 . . 1 . 1 1 48 ALA MB . . . . . . . . . . 412 . 18863 11 208 3 1 . . 119.393 . . 1 . 1 1 49 TRP N . . . . . . . . . . 82 . 18863 11 209 1 1 . . 8.242 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 11 209 2 1 . . 2.863 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 11 209 3 1 . . 120.043 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 11 216 1 1 . . 7.519 . . 1 . 1 1 54 ARG H . . . . . . . . . . 105 . 18863 11 216 2 1 . . 1.671 . . 1 . 1 1 54 ARG HB3 . . . . . . . . . . 499 . 18863 11 216 3 1 . . 118.241 . . 1 . 1 1 54 ARG N . . . . . . . . . . 106 . 18863 11 218 1 1 . . 7.605 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 218 2 1 . . 1.670 . . 1 . 1 1 54 ARG HB3 . . . . . . . . . . 499 . 18863 11 218 3 1 . . 118.116 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 219 1 1 . . 7.606 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 219 2 1 . . 1.453 . . 1 . 1 1 54 ARG HG3 . . . . . . . . . . 640 . 18863 11 219 3 1 . . 118.181 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 220 1 1 . . 7.606 . . 1 . 1 1 55 LEU H . . . . . . . . . . 111 . 18863 11 220 2 1 . . 0.775 . . 1 . 1 1 55 LEU MD2 . . . . . . . . . . 651 . 18863 11 220 3 1 . . 118.122 . . 1 . 1 1 55 LEU N . . . . . . . . . . 112 . 18863 11 223 1 1 . . 7.844 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 11 223 2 1 . . 4.272 . . 1 . 1 1 55 LEU HA . . . . . . . . . . 334 . 18863 11 223 3 1 . . 122.724 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 11 224 1 1 . . 7.848 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 11 224 2 1 . . 3.666 . . 1 . 1 1 53 GLY HA3 . . . . . . . . . . 424 . 18863 11 224 3 1 . . 122.707 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 11 226 1 1 . . 7.845 . . 1 . 1 1 56 ALA H . . . . . . . . . . 27 . 18863 11 226 2 1 . . 1.673 . . 1 . 1 1 54 ARG HB3 . . . . . . . . . . 499 . 18863 11 226 3 1 . . 122.660 . . 1 . 1 1 56 ALA N . . . . . . . . . . 28 . 18863 11 228 1 1 . . 7.959 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 11 228 2 1 . . 3.822 . . 1 . 1 1 58 GLY HA2 . . . . . . . . . . 340 . 18863 11 228 2 2 . . 3.822 . . 1 . 1 1 58 GLY HA3 . . . . . . . . . . 430 . 18863 11 228 3 1 . . 123.689 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 11 229 1 1 . . 7.959 . . 1 . 1 1 59 ALA H . . . . . . . . . . 7 . 18863 11 229 2 1 . . 1.413 . . 1 . 1 1 59 ALA MB . . . . . . . . . . 344 . 18863 11 229 3 1 . . 123.698 . . 1 . 1 1 59 ALA N . . . . . . . . . . 8 . 18863 11 233 1 1 . . 7.934 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 11 233 2 1 . . 4.250 . . 1 . 1 1 78 PRO HA . . . . . . . . . . 751 . 18863 11 233 3 1 . . 117.694 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 11 235 1 1 . . 7.931 . . 1 . 1 1 81 TYR H . . . . . . . . . . 113 . 18863 11 235 2 1 . . 1.287 . . 1 . 1 1 80 ALA MB . . . . . . . . . . 462 . 18863 11 235 3 1 . . 117.720 . . 1 . 1 1 81 TYR N . . . . . . . . . . 114 . 18863 11 236 1 1 . . 7.862 . . 1 . 1 1 61 TYR H . . . . . . . . . . 119 . 18863 11 236 2 1 . . 4.082 . . 1 . 1 1 60 ALA HA . . . . . . . . . . 346 . 18863 11 236 3 1 . . 117.065 . . 1 . 1 1 61 TYR N . . . . . . . . . . 120 . 18863 11 242 1 1 . . 7.837 . . 1 . 1 1 62 ALA H . . . . . . . . . . 33 . 18863 11 242 2 1 . . 1.261 . . 1 . 1 1 62 ALA MB . . . . . . . . . . 435 . 18863 11 242 3 1 . . 121.661 . . 1 . 1 1 62 ALA N . . . . . . . . . . 34 . 18863 11 244 1 1 . . 7.882 . . 1 . 1 1 63 PHE H . . . . . . . . . . 131 . 18863 11 244 2 1 . . 1.262 . . 1 . 1 1 62 ALA MB . . . . . . . . . . 435 . 18863 11 244 3 1 . . 116.656 . . 1 . 1 1 63 PHE N . . . . . . . . . . 132 . 18863 11 249 1 1 . . 7.731 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 249 2 1 . . 2.085 . . 1 . 1 1 66 VAL HB . . . . . . . . . . 358 . 18863 11 249 3 1 . . 117.068 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 11 250 1 1 . . 7.732 . . 1 . 1 1 66 VAL H . . . . . . . . . . 121 . 18863 11 250 2 1 . . 0.864 . . 1 . 1 1 66 VAL MG1 . . . . . . . . . . 682 . 18863 11 250 2 2 . . 0.864 . . 1 . 1 1 66 VAL MG2 . . . . . . . . . . 684 . 18863 11 250 3 1 . . 117.105 . . 1 . 1 1 66 VAL N . . . . . . . . . . 122 . 18863 11 251 1 1 . . 8.062 . . 1 . 1 1 67 TRP H . . . . . . . . . . 19 . 18863 11 251 2 1 . . 4.063 . . 1 . 1 1 66 VAL HA . . . . . . . . . . 360 . 18863 11 251 3 1 . . 122.869 . . 1 . 1 1 67 TRP N . . . . . . . . . . 20 . 18863 11 261 1 1 . . 7.847 . . 1 . 1 1 70 LEU H . . . . . . . . . . 79 . 18863 11 261 2 1 . . 1.521 . . 1 . 1 1 70 LEU HB3 . . . . . . . . . . 702 . 18863 11 261 3 1 . . 119.422 . . 1 . 1 1 70 LEU N . . . . . . . . . . 80 . 18863 11 267 1 1 . . 7.843 . . 1 . 1 1 71 LEU H . . . . . . . . . . 109 . 18863 11 267 2 1 . . 1.492 . . 1 . 1 1 71 LEU HG . . . . . . . . . . 749 . 18863 11 267 3 1 . . 117.662 . . 1 . 1 1 71 LEU N . . . . . . . . . . 110 . 18863 11 282 1 1 . . 7.626 . . 1 . 1 1 76 LEU H . . . . . . . . . . 97 . 18863 11 282 2 1 . . 1.747 . . 1 . 1 1 76 LEU HB2 . . . . . . . . . . 746 . 18863 11 282 3 1 . . 119.372 . . 1 . 1 1 76 LEU N . . . . . . . . . . 98 . 18863 11 286 1 1 . . 8.152 . . 1 . 1 1 80 ALA H . . . . . . . . . . 21 . 18863 11 286 2 1 . . 1.294 . . 1 . 1 1 80 ALA MB . . . . . . . . . . 462 . 18863 11 286 3 1 . . 122.614 . . 1 . 1 1 80 ALA N . . . . . . . . . . 22 . 18863 11 292 1 1 . . 7.848 . . 1 . 1 1 83 ALA H . . . . . . . . . . 69 . 18863 11 292 2 1 . . 4.150 . . 1 . 1 1 81 TYR HA . . . . . . . . . . 378 . 18863 11 292 3 1 . . 120.607 . . 1 . 1 1 83 ALA N . . . . . . . . . . 70 . 18863 11 294 1 1 . . 8.287 . . 1 . 1 1 43 VAL H . . . . . . . . . . 63 . 18863 11 294 2 1 . . 1.916 . . 1 . 1 1 43 VAL HB . . . . . . . . . . 317 . 18863 11 294 3 1 . . 120.202 . . 1 . 1 1 43 VAL N . . . . . . . . . . 64 . 18863 11 295 1 1 . . 8.246 . . 1 . 1 1 51 ILE H . . . . . . . . . . 83 . 18863 11 295 2 1 . . 3.955 . . 1 . 1 1 50 TYR HA . . . . . . . . . . 326 . 18863 11 295 3 1 . . 120.135 . . 1 . 1 1 51 ILE N . . . . . . . . . . 84 . 18863 11 296 1 1 . . 7.615 . . 1 . 1 1 75 ALA H . . . . . . . . . . 77 . 18863 11 296 2 1 . . 3.958 . . 1 . 1 1 72 LEU HA . . . . . . . . . . 706 . 18863 11 296 3 1 . . 120.055 . . 1 . 1 1 75 ALA N . . . . . . . . . . 78 . 18863 11 stop_ save_