data_27700 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27700 _Entry.Title ; Human linker histone NGH1x in low ionic strength conditions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-21 _Entry.Accession_date 2018-11-21 _Entry.Last_release_date 2018-11-21 _Entry.Original_release_date 2018-11-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 ; Human linker histone H1 plays a seminal role in eukaryotic DNA packaging. H1 has a tripartite structure consisting of a central, conserved globular domain, which adopts a winged-helix fold, flanked by two variable N- and C-terminal domains. Here we present the backbone resonance assignments of the N-terminal domain and globular domain of human linker histone H1x in the presence and absence of the secondary structure stabilizer sodium perchlorate. Analysis of chemical shift changes between the two conditions is consistent with induction of transient secondary structural elements in the N-terminal domain of H1x in high ionic strength, which suggests that the N-terminal domain adopts significant alpha-helical conformations in the presence of DNA. This deposition regards NGH1x in low ionic strength conditions. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Herna 'De Wit' . H. . . 27700 2 Alicia Vallet . A. . . 27700 3 Bernhard Brutscher . B. . . 27700 4 Gerrit Koorsen . G. . . 27700 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' . 27700 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Johannesburg' . 27700 2 . 'IBS Grenoble' . 27700 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27700 spectral_peak_list 5 27700 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 27700 '15N chemical shifts' 107 27700 '1H chemical shifts' 107 27700 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 . . 2019-04-04 2018-11-21 update BMRB 'update entry citation' 27700 1 . . 2019-01-02 2018-11-21 original author 'original release' 27700 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27699 'Human linker histone NGH1x in high ionic strength conditions' 27700 stop_ save_ ############### # Citations # ############### save_NGH1x_low_ionic _Citation.Sf_category citations _Citation.Sf_framecode NGH1x_low_ionic _Citation.Entry_ID 27700 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-019-09886-x _Citation.PubMed_ID 30868366 _Citation.Full_citation . _Citation.Title ; NMR assignments of human linker histone H1x N-terminal domain and globular domain in the presence and absence of perchlorate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 249 _Citation.Page_last 254 _Citation.Year 2019 _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 Herna 'De Wit' . . . . 27700 1 2 Alicia Vallet . . . . 27700 1 3 Bernhard Brutscher . . . . 27700 1 4 Gerrit Koorsen . . . . 27700 1 5 Herna 'De Wit' . H. . . 27700 1 6 Alicia Vallet . A. . . 27700 1 7 Bernhard Brutscher . B. . . 27700 1 8 Gerrit Koorsen . G. . . 27700 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27700 _Assembly.ID 1 _Assembly.Name 'NGH1x no salt' _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 'not present' _Assembly.Molecular_mass 13101.1949 _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 'NGH1x no salt' 1 $NGH1x_no_salt A . yes native no yes . . . 27700 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NGH1x_no_salt _Entity.Sf_category entity _Entity.Sf_framecode NGH1x_no_salt _Entity.Entry_ID 27700 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NGH1x_no_salt _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 ; MSVELEEALPVTTAEGMAKK VTKAGGSAALSPSKKRKNSK KKNQPGKYSQLVVETIRRLG ERNGSSLAKIYTEAKKVPWF DQQNGRTYLKYSIKALVQND TLLQVKGTGANGSFKLNRK ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13101.1949 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27700 1 2 . SER . 27700 1 3 . VAL . 27700 1 4 . GLU . 27700 1 5 . LEU . 27700 1 6 . GLU . 27700 1 7 . GLU . 27700 1 8 . ALA . 27700 1 9 . LEU . 27700 1 10 . PRO . 27700 1 11 . VAL . 27700 1 12 . THR . 27700 1 13 . THR . 27700 1 14 . ALA . 27700 1 15 . GLU . 27700 1 16 . GLY . 27700 1 17 . MET . 27700 1 18 . ALA . 27700 1 19 . LYS . 27700 1 20 . LYS . 27700 1 21 . VAL . 27700 1 22 . THR . 27700 1 23 . LYS . 27700 1 24 . ALA . 27700 1 25 . GLY . 27700 1 26 . GLY . 27700 1 27 . SER . 27700 1 28 . ALA . 27700 1 29 . ALA . 27700 1 30 . LEU . 27700 1 31 . SER . 27700 1 32 . PRO . 27700 1 33 . SER . 27700 1 34 . LYS . 27700 1 35 . LYS . 27700 1 36 . ARG . 27700 1 37 . LYS . 27700 1 38 . ASN . 27700 1 39 . SER . 27700 1 40 . LYS . 27700 1 41 . LYS . 27700 1 42 . LYS . 27700 1 43 . ASN . 27700 1 44 . GLN . 27700 1 45 . PRO . 27700 1 46 . GLY . 27700 1 47 . LYS . 27700 1 48 . TYR . 27700 1 49 . SER . 27700 1 50 . GLN . 27700 1 51 . LEU . 27700 1 52 . VAL . 27700 1 53 . VAL . 27700 1 54 . GLU . 27700 1 55 . THR . 27700 1 56 . ILE . 27700 1 57 . ARG . 27700 1 58 . ARG . 27700 1 59 . LEU . 27700 1 60 . GLY . 27700 1 61 . GLU . 27700 1 62 . ARG . 27700 1 63 . ASN . 27700 1 64 . GLY . 27700 1 65 . SER . 27700 1 66 . SER . 27700 1 67 . LEU . 27700 1 68 . ALA . 27700 1 69 . LYS . 27700 1 70 . ILE . 27700 1 71 . TYR . 27700 1 72 . THR . 27700 1 73 . GLU . 27700 1 74 . ALA . 27700 1 75 . LYS . 27700 1 76 . LYS . 27700 1 77 . VAL . 27700 1 78 . PRO . 27700 1 79 . TRP . 27700 1 80 . PHE . 27700 1 81 . ASP . 27700 1 82 . GLN . 27700 1 83 . GLN . 27700 1 84 . ASN . 27700 1 85 . GLY . 27700 1 86 . ARG . 27700 1 87 . THR . 27700 1 88 . TYR . 27700 1 89 . LEU . 27700 1 90 . LYS . 27700 1 91 . TYR . 27700 1 92 . SER . 27700 1 93 . ILE . 27700 1 94 . LYS . 27700 1 95 . ALA . 27700 1 96 . LEU . 27700 1 97 . VAL . 27700 1 98 . GLN . 27700 1 99 . ASN . 27700 1 100 . ASP . 27700 1 101 . THR . 27700 1 102 . LEU . 27700 1 103 . LEU . 27700 1 104 . GLN . 27700 1 105 . VAL . 27700 1 106 . LYS . 27700 1 107 . GLY . 27700 1 108 . THR . 27700 1 109 . GLY . 27700 1 110 . ALA . 27700 1 111 . ASN . 27700 1 112 . GLY . 27700 1 113 . SER . 27700 1 114 . PHE . 27700 1 115 . LYS . 27700 1 116 . LEU . 27700 1 117 . ASN . 27700 1 118 . ARG . 27700 1 119 . LYS . 27700 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27700 1 . SER 2 2 27700 1 . VAL 3 3 27700 1 . GLU 4 4 27700 1 . LEU 5 5 27700 1 . GLU 6 6 27700 1 . GLU 7 7 27700 1 . ALA 8 8 27700 1 . LEU 9 9 27700 1 . PRO 10 10 27700 1 . VAL 11 11 27700 1 . THR 12 12 27700 1 . THR 13 13 27700 1 . ALA 14 14 27700 1 . GLU 15 15 27700 1 . GLY 16 16 27700 1 . MET 17 17 27700 1 . ALA 18 18 27700 1 . LYS 19 19 27700 1 . LYS 20 20 27700 1 . VAL 21 21 27700 1 . THR 22 22 27700 1 . LYS 23 23 27700 1 . ALA 24 24 27700 1 . GLY 25 25 27700 1 . GLY 26 26 27700 1 . SER 27 27 27700 1 . ALA 28 28 27700 1 . ALA 29 29 27700 1 . LEU 30 30 27700 1 . SER 31 31 27700 1 . PRO 32 32 27700 1 . SER 33 33 27700 1 . LYS 34 34 27700 1 . LYS 35 35 27700 1 . ARG 36 36 27700 1 . LYS 37 37 27700 1 . ASN 38 38 27700 1 . SER 39 39 27700 1 . LYS 40 40 27700 1 . LYS 41 41 27700 1 . LYS 42 42 27700 1 . ASN 43 43 27700 1 . GLN 44 44 27700 1 . PRO 45 45 27700 1 . GLY 46 46 27700 1 . LYS 47 47 27700 1 . TYR 48 48 27700 1 . SER 49 49 27700 1 . GLN 50 50 27700 1 . LEU 51 51 27700 1 . VAL 52 52 27700 1 . VAL 53 53 27700 1 . GLU 54 54 27700 1 . THR 55 55 27700 1 . ILE 56 56 27700 1 . ARG 57 57 27700 1 . ARG 58 58 27700 1 . LEU 59 59 27700 1 . GLY 60 60 27700 1 . GLU 61 61 27700 1 . ARG 62 62 27700 1 . ASN 63 63 27700 1 . GLY 64 64 27700 1 . SER 65 65 27700 1 . SER 66 66 27700 1 . LEU 67 67 27700 1 . ALA 68 68 27700 1 . LYS 69 69 27700 1 . ILE 70 70 27700 1 . TYR 71 71 27700 1 . THR 72 72 27700 1 . GLU 73 73 27700 1 . ALA 74 74 27700 1 . LYS 75 75 27700 1 . LYS 76 76 27700 1 . VAL 77 77 27700 1 . PRO 78 78 27700 1 . TRP 79 79 27700 1 . PHE 80 80 27700 1 . ASP 81 81 27700 1 . GLN 82 82 27700 1 . GLN 83 83 27700 1 . ASN 84 84 27700 1 . GLY 85 85 27700 1 . ARG 86 86 27700 1 . THR 87 87 27700 1 . TYR 88 88 27700 1 . LEU 89 89 27700 1 . LYS 90 90 27700 1 . TYR 91 91 27700 1 . SER 92 92 27700 1 . ILE 93 93 27700 1 . LYS 94 94 27700 1 . ALA 95 95 27700 1 . LEU 96 96 27700 1 . VAL 97 97 27700 1 . GLN 98 98 27700 1 . ASN 99 99 27700 1 . ASP 100 100 27700 1 . THR 101 101 27700 1 . LEU 102 102 27700 1 . LEU 103 103 27700 1 . GLN 104 104 27700 1 . VAL 105 105 27700 1 . LYS 106 106 27700 1 . GLY 107 107 27700 1 . THR 108 108 27700 1 . GLY 109 109 27700 1 . ALA 110 110 27700 1 . ASN 111 111 27700 1 . GLY 112 112 27700 1 . SER 113 113 27700 1 . PHE 114 114 27700 1 . LYS 115 115 27700 1 . LEU 116 116 27700 1 . ASN 117 117 27700 1 . ARG 118 118 27700 1 . LYS 119 119 27700 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 27700 _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 $NGH1x_no_salt . . organism . 'Synthetic construct' NGH1x . . . . . . . . . . . . . . . . . . . 27700 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 27700 _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 $NGH1x_no_salt . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . Plasmid . . pET22b+ . . ; The coding sequence of the globular domain of human linker histone H1x (PDB: 2LSO; residues 44 - 123) was fused to the coding sequence of the N-terminal domain of human linker histone H1x (residues 1 - 43) in order to form the hybrid coding sequence NGH1x. Electrocompetent BL21(DE3) E. coli cells (Novagen, Merck) were transformed with the expression plasmid, pET22b(+)-NGH1x. ; 27700 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NGH1x_low_ionic_strength _Sample.Sf_category sample _Sample.Sf_framecode NGH1x_low_ionic_strength _Sample.Entry_ID 27700 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NGH1x in 20 mM sodium phosphate buffer, pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NGH1x_no_salt '[U-99% 13C; U-99% 15N]' . . 1 $NGH1x_no_salt . . 0.5 . . mM . . . . 27700 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 27700 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; 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' 20 . mM 27700 1 pH 7.000 . pH 27700 1 temperature 278.000 . K 27700 1 stop_ save_ save_CondSet4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet4 _Sample_condition_list.Entry_ID 27700 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 27700 2 temperature 278 . K 27700 2 stop_ save_ save_CondSet13 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet13 _Sample_condition_list.Entry_ID 27700 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 27700 3 temperature 278 . K 27700 3 stop_ save_ save_CondSet14 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet14 _Sample_condition_list.Entry_ID 27700 _Sample_condition_list.ID 4 _Sample_condition_list.Name . _Sample_condition_list.Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 27700 4 temperature 278 . K 27700 4 stop_ save_ save_CondSet15 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet15 _Sample_condition_list.Entry_ID 27700 _Sample_condition_list.ID 5 _Sample_condition_list.Name . _Sample_condition_list.Details ; A set of three-dimensional (3D) BEST-TROSY (Solyom et al., 2013) HCN spectra were recorded for sequential resonance assignment complemented by a sequential HADAMAC experiment for amino-acid type identification (Lescop et al., 2008). The HNC spectra recorded were: HNCO, HN(CO)CACB, HNCACB and HN(CA)CO. The inter-scan delay was set to Trec = 0.2s for all experiments. The evolution times for chemical shift editing of the different nuclei were set to 70 ms (1H), 26 ms (15N), and 4 ms (CACB). For the low-salt sample, the total data acquisition times were 4h15 for HNCO, 17h for HN(CA)CO, 30h for HNCACB, and 16h for HN(CO)CACB. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 27700 5 temperature 278 . K 27700 5 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27700 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27700 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Spectral analysis' 27700 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_950 _NMR_spectrometer.Entry_ID 27700 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Avance III HD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27700 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance_950 Bruker Avance . 950 'Avance III HD' . . 27700 1 stop_ save_ save_Bruker_Cryo_TCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode Bruker_Cryo_TCI _NMR_spectrometer_probe.Entry_ID 27700 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Name . _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model Cryo_TCI _NMR_spectrometer_probe.Serial_number . _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 27700 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27700 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $NGH1x_low_ionic_strength isotropic . . 1 $CondSet1 . . . 1 $Bruker_Avance_950 1 $Bruker_Cryo_TCI . . . . . . . . . . . . . . 27700 1 2 '3D HNCO' no . . . . . . . . . . 1 $NGH1x_low_ionic_strength isotropic . . 2 $CondSet4 . . . 1 $Bruker_Avance_950 1 $Bruker_Cryo_TCI . . . . . . . . . . . . . . 27700 1 3 '3D HNCACB' no . . . . . . . . . . 1 $NGH1x_low_ionic_strength isotropic . . 3 $CondSet13 . . . 1 $Bruker_Avance_950 1 $Bruker_Cryo_TCI . . . . . . . . . . . . . . 27700 1 4 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $NGH1x_low_ionic_strength isotropic . . 4 $CondSet14 . . . 1 $Bruker_Avance_950 1 $Bruker_Cryo_TCI . . . . . . . . . . . . . . 27700 1 5 'HNCACO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $NGH1x_low_ionic_strength isotropic . . 5 $CondSet15 . . . 1 $Bruker_Avance_950 1 $Bruker_Cryo_TCI . . . . . . . . . . . . . . 27700 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 27700 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27700 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27700 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27700 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27700 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $NGH1x_low_ionic_strength isotropic 27700 1 2 '3D HNCO' 1 $NGH1x_low_ionic_strength isotropic 27700 1 3 '3D HNCACB' 1 $NGH1x_low_ionic_strength isotropic 27700 1 4 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 1 $NGH1x_low_ionic_strength isotropic 27700 1 5 'HNCACO (H[N[ca[CO]]])' 1 $NGH1x_low_ionic_strength isotropic 27700 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27700 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 3 3 VAL C C 13 176.087 . . 1 . . 327 . . 3 VAL C . 27700 1 2 . 1 1 3 3 VAL CA C 13 62.525 . . 1 . . 326 . . 3 VAL CA . 27700 1 3 . 1 1 3 3 VAL CB C 13 32.689 . . 1 . . 325 . . 3 VAL CB . 27700 1 4 . 1 1 4 4 GLU H H 1 8.605 0.001 . 1 . . 63 . . 4 GLU H . 27700 1 5 . 1 1 4 4 GLU C C 13 176.364 0.005 . 1 . . 328 . . 4 GLU C . 27700 1 6 . 1 1 4 4 GLU CA C 13 56.507 0.001 . 1 . . 423 . . 4 GLU CA . 27700 1 7 . 1 1 4 4 GLU CB C 13 30.041 0.021 . 1 . . 329 . . 4 GLU CB . 27700 1 8 . 1 1 4 4 GLU N N 15 125.268 0.007 . 1 . . 64 . . 4 GLU N . 27700 1 9 . 1 1 5 5 LEU H H 1 8.330 0.001 . 1 . . 149 . . 5 LEU H . 27700 1 10 . 1 1 5 5 LEU C C 13 177.297 0.007 . 1 . . 422 . . 5 LEU C . 27700 1 11 . 1 1 5 5 LEU CA C 13 55.074 0.014 . 1 . . 413 . . 5 LEU CA . 27700 1 12 . 1 1 5 5 LEU CB C 13 42.415 0.014 . 1 . . 424 . . 5 LEU CB . 27700 1 13 . 1 1 5 5 LEU N N 15 124.015 0.006 . 1 . . 150 . . 5 LEU N . 27700 1 14 . 1 1 6 6 GLU H H 1 8.413 0.004 . 1 . . 139 . . 6 GLU H . 27700 1 15 . 1 1 6 6 GLU C C 13 176.358 0.014 . 1 . . 412 . . 6 GLU C . 27700 1 16 . 1 1 6 6 GLU CA C 13 56.444 0.042 . 1 . . 414 . . 6 GLU CA . 27700 1 17 . 1 1 6 6 GLU CB C 13 30.356 0.011 . 1 . . 401 . . 6 GLU CB . 27700 1 18 . 1 1 6 6 GLU N N 15 122.933 0.084 . 1 . . 140 . . 6 GLU N . 27700 1 19 . 1 1 7 7 GLU H H 1 8.424 0.003 . 1 . . 125 . . 7 GLU H . 27700 1 20 . 1 1 7 7 GLU C C 13 175.851 0.007 . 1 . . 400 . . 7 GLU C . 27700 1 21 . 1 1 7 7 GLU CA C 13 56.237 . . 1 . . 273 . . 7 GLU CA . 27700 1 22 . 1 1 7 7 GLU CB C 13 30.505 . . 1 . . 272 . . 7 GLU CB . 27700 1 23 . 1 1 7 7 GLU N N 15 123.086 0.023 . 1 . . 126 . . 7 GLU N . 27700 1 24 . 1 1 8 8 ALA H H 1 8.361 0.001 . 1 . . 33 . . 8 ALA H . 27700 1 25 . 1 1 8 8 ALA C C 13 177.417 0.006 . 1 . . 274 . . 8 ALA C . 27700 1 26 . 1 1 8 8 ALA CA C 13 52.063 0.007 . 1 . . 275 . . 8 ALA CA . 27700 1 27 . 1 1 8 8 ALA CB C 13 19.185 0.016 . 1 . . 284 . . 8 ALA CB . 27700 1 28 . 1 1 8 8 ALA N N 15 126.463 0.009 . 1 . . 34 . . 8 ALA N . 27700 1 29 . 1 1 9 9 LEU H H 1 8.303 0.002 . 1 . . 39 . . 9 LEU H . 27700 1 30 . 1 1 9 9 LEU C C 13 175.321 . . 1 . . 283 . . 9 LEU C . 27700 1 31 . 1 1 9 9 LEU CA C 13 53.001 . . 1 . . 285 . . 9 LEU CA . 27700 1 32 . 1 1 9 9 LEU CB C 13 41.551 . . 1 . . 286 . . 9 LEU CB . 27700 1 33 . 1 1 9 9 LEU N N 15 123.971 0.007 . 1 . . 40 . . 9 LEU N . 27700 1 34 . 1 1 10 10 PRO C C 13 176.865 . . 1 . . 391 . . 10 PRO C . 27700 1 35 . 1 1 10 10 PRO CA C 13 62.873 . . 1 . . 393 . . 10 PRO CA . 27700 1 36 . 1 1 10 10 PRO CB C 13 32.044 . . 1 . . 392 . . 10 PRO CB . 27700 1 37 . 1 1 11 11 VAL H H 1 8.376 0.002 . 1 . . 119 . . 11 VAL H . 27700 1 38 . 1 1 11 11 VAL C C 13 176.683 0.01 . 1 . . 390 . . 11 VAL C . 27700 1 39 . 1 1 11 11 VAL CA C 13 62.308 0.0 . 1 . . 388 . . 11 VAL CA . 27700 1 40 . 1 1 11 11 VAL CB C 13 32.760 0.033 . 1 . . 394 . . 11 VAL CB . 27700 1 41 . 1 1 11 11 VAL N N 15 121.611 0.007 . 1 . . 120 . . 11 VAL N . 27700 1 42 . 1 1 12 12 THR H H 1 8.346 0.001 . 1 . . 117 . . 12 THR H . 27700 1 43 . 1 1 12 12 THR C C 13 174.685 0.007 . 1 . . 387 . . 12 THR C . 27700 1 44 . 1 1 12 12 THR CA C 13 61.595 0.041 . 1 . . 389 . . 12 THR CA . 27700 1 45 . 1 1 12 12 THR CB C 13 69.896 0.002 . 1 . . 473 . . 12 THR CB . 27700 1 46 . 1 1 12 12 THR N N 15 118.877 0.032 . 1 . . 118 . . 12 THR N . 27700 1 47 . 1 1 13 13 THR H H 1 8.213 0.001 . 1 . . 183 . . 13 THR H . 27700 1 48 . 1 1 13 13 THR C C 13 174.560 0.004 . 1 . . 472 . . 13 THR C . 27700 1 49 . 1 1 13 13 THR CA C 13 61.628 . . 1 . . 250 . . 13 THR CA . 27700 1 50 . 1 1 13 13 THR CB C 13 70.076 . . 1 . . 251 . . 13 THR CB . 27700 1 51 . 1 1 13 13 THR N N 15 116.977 0.004 . 1 . . 184 . . 13 THR N . 27700 1 52 . 1 1 14 14 ALA H H 1 8.510 0.001 . 1 . . 21 . . 14 ALA H . 27700 1 53 . 1 1 14 14 ALA C C 13 178.484 0.015 . 1 . . 249 . . 14 ALA C . 27700 1 54 . 1 1 14 14 ALA CA C 13 53.221 0.001 . 1 . . 252 . . 14 ALA CA . 27700 1 55 . 1 1 14 14 ALA CB C 13 18.898 0.031 . 1 . . 253 . . 14 ALA CB . 27700 1 56 . 1 1 14 14 ALA N N 15 126.700 0.008 . 1 . . 22 . . 14 ALA N . 27700 1 57 . 1 1 15 15 GLU H H 1 8.462 0.001 . 1 . . 113 . . 15 GLU H . 27700 1 58 . 1 1 15 15 GLU C C 13 177.590 0.006 . 1 . . 380 . . 15 GLU C . 27700 1 59 . 1 1 15 15 GLU CA C 13 57.425 0.004 . 1 . . 382 . . 15 GLU CA . 27700 1 60 . 1 1 15 15 GLU CB C 13 29.907 0.002 . 1 . . 381 . . 15 GLU CB . 27700 1 61 . 1 1 15 15 GLU N N 15 120.518 0.005 . 1 . . 114 . . 15 GLU N . 27700 1 62 . 1 1 16 16 GLY H H 1 8.381 0.002 . 1 . . 217 . . 16 GLY H . 27700 1 63 . 1 1 16 16 GLY C C 13 174.761 0.009 . 1 . . 516 . . 16 GLY C . 27700 1 64 . 1 1 16 16 GLY CA C 13 45.561 0.003 . 1 . . 517 . . 16 GLY CA . 27700 1 65 . 1 1 16 16 GLY N N 15 110.146 0.008 . 1 . . 218 . . 16 GLY N . 27700 1 66 . 1 1 17 17 MET H H 1 8.077 0.002 . 1 . . 145 . . 17 MET H . 27700 1 67 . 1 1 17 17 MET C C 13 176.464 0.009 . 1 . . 417 . . 17 MET C . 27700 1 68 . 1 1 17 17 MET CA C 13 55.648 0.003 . 1 . . 418 . . 17 MET CA . 27700 1 69 . 1 1 17 17 MET CB C 13 32.667 0.003 . 1 . . 440 . . 17 MET CB . 27700 1 70 . 1 1 17 17 MET N N 15 120.388 0.003 . 1 . . 146 . . 17 MET N . 27700 1 71 . 1 1 18 18 ALA H H 1 8.197 0.002 . 1 . . 71 . . 18 ALA H . 27700 1 72 . 1 1 18 18 ALA C C 13 177.898 0.005 . 1 . . 439 . . 18 ALA C . 27700 1 73 . 1 1 18 18 ALA CA C 13 52.797 0.031 . 1 . . 525 . . 18 ALA CA . 27700 1 74 . 1 1 18 18 ALA CB C 13 18.911 0.012 . 1 . . 442 . . 18 ALA CB . 27700 1 75 . 1 1 18 18 ALA N N 15 125.091 0.014 . 1 . . 72 . . 18 ALA N . 27700 1 76 . 1 1 19 19 LYS H H 1 8.176 0.002 . 1 . . 181 . . 19 LYS H . 27700 1 77 . 1 1 19 19 LYS N N 15 121.033 0.004 . 1 . . 182 . . 19 LYS N . 27700 1 78 . 1 1 20 20 LYS H H 1 8.284 0.002 . 1 . . 79 . . 20 LYS H . 27700 1 79 . 1 1 20 20 LYS C C 13 176.591 0.024 . 1 . . 383 . . 20 LYS C . 27700 1 80 . 1 1 20 20 LYS N N 15 123.697 0.013 . 1 . . 80 . . 20 LYS N . 27700 1 81 . 1 1 21 21 VAL H H 1 8.306 0.002 . 1 . . 115 . . 21 VAL H . 27700 1 82 . 1 1 21 21 VAL C C 13 176.392 0.009 . 1 . . 396 . . 21 VAL C . 27700 1 83 . 1 1 21 21 VAL CA C 13 62.277 0.053 . 1 . . 384 . . 21 VAL CA . 27700 1 84 . 1 1 21 21 VAL CB C 13 32.851 0.003 . 1 . . 397 . . 21 VAL CB . 27700 1 85 . 1 1 21 21 VAL N N 15 123.268 0.035 . 1 . . 116 . . 21 VAL N . 27700 1 86 . 1 1 22 22 THR H H 1 8.387 0.001 . 1 . . 121 . . 22 THR H . 27700 1 87 . 1 1 22 22 THR C C 13 174.332 0.006 . 1 . . 395 . . 22 THR C . 27700 1 88 . 1 1 22 22 THR CA C 13 61.877 0.04 . 1 . . 398 . . 22 THR CA . 27700 1 89 . 1 1 22 22 THR CB C 13 69.875 0.014 . 1 . . 317 . . 22 THR CB . 27700 1 90 . 1 1 22 22 THR N N 15 120.505 0.007 . 1 . . 122 . . 22 THR N . 27700 1 91 . 1 1 23 23 LYS H H 1 8.467 0.001 . 1 . . 59 . . 23 LYS H . 27700 1 92 . 1 1 23 23 LYS C C 13 176.237 0.007 . 1 . . 314 . . 23 LYS C . 27700 1 93 . 1 1 23 23 LYS CA C 13 56.246 0.0 . 1 . . 315 . . 23 LYS CA . 27700 1 94 . 1 1 23 23 LYS CB C 13 33.086 0.005 . 1 . . 316 . . 23 LYS CB . 27700 1 95 . 1 1 23 23 LYS N N 15 125.475 0.008 . 1 . . 60 . . 23 LYS N . 27700 1 96 . 1 1 24 24 ALA H H 1 8.487 0.002 . 1 . . 57 . . 24 ALA H . 27700 1 97 . 1 1 24 24 ALA C C 13 178.292 0.006 . 1 . . 311 . . 24 ALA C . 27700 1 98 . 1 1 24 24 ALA CA C 13 52.624 0.009 . 1 . . 312 . . 24 ALA CA . 27700 1 99 . 1 1 24 24 ALA CB C 13 19.121 0.01 . 1 . . 313 . . 24 ALA CB . 27700 1 100 . 1 1 24 24 ALA N N 15 126.803 0.009 . 1 . . 58 . . 24 ALA N . 27700 1 101 . 1 1 25 25 GLY H H 1 8.484 0.001 . 1 . . 199 . . 25 GLY H . 27700 1 102 . 1 1 25 25 GLY C C 13 174.796 0.006 . 1 . . 497 . . 25 GLY C . 27700 1 103 . 1 1 25 25 GLY CA C 13 45.206 0.002 . 1 . . 308 . . 25 GLY CA . 27700 1 104 . 1 1 25 25 GLY N N 15 109.461 0.007 . 1 . . 200 . . 25 GLY N . 27700 1 105 . 1 1 26 26 GLY H H 1 8.312 0.001 . 1 . . 53 . . 26 GLY H . 27700 1 106 . 1 1 26 26 GLY C C 13 174.351 0.011 . 1 . . 307 . . 26 GLY C . 27700 1 107 . 1 1 26 26 GLY CA C 13 45.114 0.028 . 1 . . 526 . . 26 GLY CA . 27700 1 108 . 1 1 26 26 GLY N N 15 109.368 0.005 . 1 . . 54 . . 26 GLY N . 27700 1 109 . 1 1 27 27 SER H H 1 8.364 0.001 . 1 . . 213 . . 27 SER H . 27700 1 110 . 1 1 27 27 SER C C 13 174.580 0.011 . 1 . . 509 . . 27 SER C . 27700 1 111 . 1 1 27 27 SER CA C 13 58.385 0.002 . 1 . . 233 . . 27 SER CA . 27700 1 112 . 1 1 27 27 SER CB C 13 63.780 0.003 . 1 . . 510 . . 27 SER CB . 27700 1 113 . 1 1 27 27 SER N N 15 116.451 0.004 . 1 . . 214 . . 27 SER N . 27700 1 114 . 1 1 28 28 ALA H H 1 8.417 0.001 . 1 . . 11 . . 28 ALA H . 27700 1 115 . 1 1 28 28 ALA C C 13 177.555 0.007 . 1 . . 234 . . 28 ALA C . 27700 1 116 . 1 1 28 28 ALA CA C 13 52.559 0.006 . 1 . . 399 . . 28 ALA CA . 27700 1 117 . 1 1 28 28 ALA CB C 13 19.037 0.012 . 1 . . 232 . . 28 ALA CB . 27700 1 118 . 1 1 28 28 ALA N N 15 126.792 0.008 . 1 . . 12 . . 28 ALA N . 27700 1 119 . 1 1 29 29 ALA H H 1 8.191 0.001 . 1 . . 123 . . 29 ALA H . 27700 1 120 . 1 1 29 29 ALA C C 13 177.600 0.025 . 1 . . 527 . . 29 ALA C . 27700 1 121 . 1 1 29 29 ALA CA C 13 52.113 0.025 . 1 . . 528 . . 29 ALA CA . 27700 1 122 . 1 1 29 29 ALA CB C 13 19.087 0.095 . 1 . . 529 . . 29 ALA CB . 27700 1 123 . 1 1 29 29 ALA N N 15 123.612 0.008 . 1 . . 124 . . 29 ALA N . 27700 1 124 . 1 1 30 30 LEU H H 1 8.188 0.002 . 1 . . 203 . . 30 LEU H . 27700 1 125 . 1 1 30 30 LEU C C 13 176.560 0.005 . 1 . . 511 . . 30 LEU C . 27700 1 126 . 1 1 30 30 LEU CA C 13 55.029 0.017 . 1 . . 512 . . 30 LEU CA . 27700 1 127 . 1 1 30 30 LEU CB C 13 42.395 0.018 . 1 . . 374 . . 30 LEU CB . 27700 1 128 . 1 1 30 30 LEU N N 15 122.317 0.122 . 1 . . 204 . . 30 LEU N . 27700 1 129 . 1 1 31 31 SER H H 1 8.040 0.002 . 1 . . 207 . . 31 SER H . 27700 1 130 . 1 1 31 31 SER C C 13 172.751 . . 1 . . 506 . . 31 SER C . 27700 1 131 . 1 1 31 31 SER CA C 13 55.214 . . 1 . . 507 . . 31 SER CA . 27700 1 132 . 1 1 31 31 SER CB C 13 64.314 . . 1 . . 508 . . 31 SER CB . 27700 1 133 . 1 1 31 31 SER N N 15 117.064 0.008 . 1 . . 208 . . 31 SER N . 27700 1 134 . 1 1 33 33 SER H H 1 8.421 0.003 . 1 . . 31 . . 33 SER H . 27700 1 135 . 1 1 33 33 SER C C 13 174.936 0.01 . 1 . . 268 . . 33 SER C . 27700 1 136 . 1 1 33 33 SER CA C 13 58.583 0.004 . 1 . . 271 . . 33 SER CA . 27700 1 137 . 1 1 33 33 SER CB C 13 63.624 0.073 . 1 . . 429 . . 33 SER CB . 27700 1 138 . 1 1 33 33 SER N N 15 116.568 0.007 . 1 . . 32 . . 33 SER N . 27700 1 139 . 1 1 34 34 LYS H H 1 8.385 0.002 . 1 . . 153 . . 34 LYS H . 27700 1 140 . 1 1 34 34 LYS C C 13 176.683 0.043 . 1 . . 231 . . 34 LYS C . 27700 1 141 . 1 1 34 34 LYS CA C 13 56.421 0.04 . 1 . . 370 . . 34 LYS CA . 27700 1 142 . 1 1 34 34 LYS N N 15 124.443 0.018 . 1 . . 154 . . 34 LYS N . 27700 1 143 . 1 1 36 36 ARG H H 1 8.429 0.002 . 1 . . 83 . . 36 ARG H . 27700 1 144 . 1 1 36 36 ARG C C 13 176.491 0.005 . 1 . . 524 . . 36 ARG C . 27700 1 145 . 1 1 36 36 ARG CA C 13 56.038 0.09 . 1 . . 530 . . 36 ARG CA . 27700 1 146 . 1 1 36 36 ARG CB C 13 30.828 0.008 . 1 . . 346 . . 36 ARG CB . 27700 1 147 . 1 1 36 36 ARG N N 15 123.775 0.018 . 1 . . 84 . . 36 ARG N . 27700 1 148 . 1 1 37 37 LYS H H 1 8.522 0.002 . 1 . . 99 . . 37 LYS H . 27700 1 149 . 1 1 37 37 LYS C C 13 176.477 0.002 . 1 . . 551 . . 37 LYS C . 27700 1 150 . 1 1 37 37 LYS CA C 13 56.639 0.061 . 1 . . 365 . . 37 LYS CA . 27700 1 151 . 1 1 37 37 LYS CB C 13 32.950 0.06 . 1 . . 344 . . 37 LYS CB . 27700 1 152 . 1 1 37 37 LYS N N 15 124.071 0.006 . 1 . . 100 . . 37 LYS N . 27700 1 153 . 1 1 38 38 ASN H H 1 8.625 0.002 . 1 . . 167 . . 38 ASN H . 27700 1 154 . 1 1 38 38 ASN C C 13 175.374 0.006 . 1 . . 451 . . 38 ASN C . 27700 1 155 . 1 1 38 38 ASN CA C 13 53.154 0.005 . 1 . . 453 . . 38 ASN CA . 27700 1 156 . 1 1 38 38 ASN CB C 13 38.830 0.011 . 1 . . 452 . . 38 ASN CB . 27700 1 157 . 1 1 38 38 ASN N N 15 121.083 0.006 . 1 . . 168 . . 38 ASN N . 27700 1 158 . 1 1 39 39 SER H H 1 8.405 0.002 . 1 . . 61 . . 39 SER H . 27700 1 159 . 1 1 39 39 SER C C 13 174.608 0.006 . 1 . . 318 . . 39 SER C . 27700 1 160 . 1 1 39 39 SER CA C 13 58.548 0.01 . 1 . . 319 . . 39 SER CA . 27700 1 161 . 1 1 39 39 SER CB C 13 63.764 0.005 . 1 . . 320 . . 39 SER CB . 27700 1 162 . 1 1 39 39 SER N N 15 117.744 0.008 . 1 . . 62 . . 39 SER N . 27700 1 163 . 1 1 40 40 LYS H H 1 8.428 0.001 . 1 . . 9 . . 40 LYS H . 27700 1 164 . 1 1 40 40 LYS C C 13 176.742 . . 1 . . 564 . . 40 LYS C . 27700 1 165 . 1 1 40 40 LYS CA C 13 56.407 . . 1 . . 563 . . 40 LYS CA . 27700 1 166 . 1 1 40 40 LYS CB C 13 32.857 . . 1 . . 562 . . 40 LYS CB . 27700 1 167 . 1 1 40 40 LYS N N 15 123.861 0.143 . 1 . . 10 . . 40 LYS N . 27700 1 168 . 1 1 41 41 LYS H H 1 8.316 0.015 . 1 . . 105 . . 41 LYS H . 27700 1 169 . 1 1 41 41 LYS C C 13 176.676 0.021 . 1 . . 342 . . 41 LYS C . 27700 1 170 . 1 1 41 41 LYS CA C 13 56.342 0.029 . 1 . . 561 . . 41 LYS CA . 27700 1 171 . 1 1 41 41 LYS CB C 13 32.925 0.021 . 1 . . 560 . . 41 LYS CB . 27700 1 172 . 1 1 41 41 LYS N N 15 123.360 0.113 . 1 . . 106 . . 41 LYS N . 27700 1 173 . 1 1 42 42 LYS H H 1 8.438 0.006 . 1 . . 103 . . 42 LYS H . 27700 1 174 . 1 1 42 42 LYS C C 13 176.300 0.008 . 1 . . 369 . . 42 LYS C . 27700 1 175 . 1 1 42 42 LYS CA C 13 56.312 0.032 . 1 . . 558 . . 42 LYS CA . 27700 1 176 . 1 1 42 42 LYS CB C 13 33.015 0.057 . 1 . . 557 . . 42 LYS CB . 27700 1 177 . 1 1 42 42 LYS N N 15 123.575 0.105 . 1 . . 104 . . 42 LYS N . 27700 1 178 . 1 1 43 43 ASN H H 1 8.505 0.006 . 1 . . 129 . . 43 ASN H . 27700 1 179 . 1 1 43 43 ASN C C 13 174.691 0.004 . 1 . . 491 . . 43 ASN C . 27700 1 180 . 1 1 43 43 ASN CA C 13 53.096 0.008 . 1 . . 492 . . 43 ASN CA . 27700 1 181 . 1 1 43 43 ASN CB C 13 38.682 0.002 . 1 . . 403 . . 43 ASN CB . 27700 1 182 . 1 1 43 43 ASN N N 15 120.484 0.076 . 1 . . 130 . . 43 ASN N . 27700 1 183 . 1 1 44 44 GLN H H 1 8.311 0.006 . 1 . . 195 . . 44 GLN H . 27700 1 184 . 1 1 44 44 GLN C C 13 173.749 . . 1 . . 490 . . 44 GLN C . 27700 1 185 . 1 1 44 44 GLN CA C 13 54.098 . . 1 . . 494 . . 44 GLN CA . 27700 1 186 . 1 1 44 44 GLN CB C 13 28.738 . . 1 . . 493 . . 44 GLN CB . 27700 1 187 . 1 1 44 44 GLN N N 15 121.947 0.023 . 1 . . 196 . . 44 GLN N . 27700 1 188 . 1 1 46 46 GLY H H 1 8.456 0.024 . 1 . . 157 . . 46 GLY H . 27700 1 189 . 1 1 46 46 GLY CA C 13 45.873 . . 1 . . 565 . . 46 GLY CA . 27700 1 190 . 1 1 46 46 GLY N N 15 109.689 0.173 . 1 . . 158 . . 46 GLY N . 27700 1 191 . 1 1 47 47 LYS H H 1 8.196 0.015 . 1 . . 127 . . 47 LYS H . 27700 1 192 . 1 1 47 47 LYS N N 15 121.855 0.187 . 1 . . 128 . . 47 LYS N . 27700 1 193 . 1 1 49 49 SER H H 1 8.228 0.002 . 1 . . 93 . . 49 SER H . 27700 1 194 . 1 1 49 49 SER CA C 13 62.460 0.037 . 1 . . 359 . . 49 SER CA . 27700 1 195 . 1 1 49 49 SER N N 15 118.394 0.01 . 1 . . 94 . . 49 SER N . 27700 1 196 . 1 1 50 50 GLN H H 1 7.903 0.015 . 1 . . 159 . . 50 GLN H . 27700 1 197 . 1 1 50 50 GLN C C 13 177.768 0.015 . 1 . . 531 . . 50 GLN C . 27700 1 198 . 1 1 50 50 GLN CA C 13 58.758 0.013 . 1 . . 437 . . 50 GLN CA . 27700 1 199 . 1 1 50 50 GLN CB C 13 28.030 0.037 . 1 . . 438 . . 50 GLN CB . 27700 1 200 . 1 1 50 50 GLN N N 15 121.116 0.063 . 1 . . 160 . . 50 GLN N . 27700 1 201 . 1 1 51 51 LEU H H 1 7.742 0.003 . 1 . . 137 . . 51 LEU H . 27700 1 202 . 1 1 51 51 LEU C C 13 180.491 0.001 . 1 . . 340 . . 51 LEU C . 27700 1 203 . 1 1 51 51 LEU CA C 13 57.639 0.029 . 1 . . 411 . . 51 LEU CA . 27700 1 204 . 1 1 51 51 LEU CB C 13 41.924 0.005 . 1 . . 410 . . 51 LEU CB . 27700 1 205 . 1 1 51 51 LEU N N 15 120.434 0.009 . 1 . . 138 . . 51 LEU N . 27700 1 206 . 1 1 52 52 VAL H H 1 8.362 0.017 . 1 . . 75 . . 52 VAL H . 27700 1 207 . 1 1 52 52 VAL C C 13 176.802 . . 1 . . 224 . . 52 VAL C . 27700 1 208 . 1 1 52 52 VAL CA C 13 68.585 0.006 . 1 . . 341 . . 52 VAL CA . 27700 1 209 . 1 1 52 52 VAL CB C 13 31.424 0.005 . 1 . . 532 . . 52 VAL CB . 27700 1 210 . 1 1 52 52 VAL N N 15 123.744 0.113 . 1 . . 76 . . 52 VAL N . 27700 1 211 . 1 1 53 53 VAL H H 1 7.569 0.003 . 1 . . 5 . . 53 VAL H . 27700 1 212 . 1 1 53 53 VAL C C 13 177.659 0.012 . 1 . . 225 . . 53 VAL C . 27700 1 213 . 1 1 53 53 VAL CA C 13 67.884 0.029 . 1 . . 227 . . 53 VAL CA . 27700 1 214 . 1 1 53 53 VAL CB C 13 32.015 0.015 . 1 . . 226 . . 53 VAL CB . 27700 1 215 . 1 1 53 53 VAL N N 15 118.911 0.006 . 1 . . 6 . . 53 VAL N . 27700 1 216 . 1 1 54 54 GLU H H 1 8.579 0.002 . 1 . . 29 . . 54 GLU H . 27700 1 217 . 1 1 54 54 GLU C C 13 179.586 0.01 . 1 . . 264 . . 54 GLU C . 27700 1 218 . 1 1 54 54 GLU CA C 13 58.827 0.008 . 1 . . 265 . . 54 GLU CA . 27700 1 219 . 1 1 54 54 GLU CB C 13 29.382 0.01 . 1 . . 266 . . 54 GLU CB . 27700 1 220 . 1 1 54 54 GLU N N 15 117.646 0.01 . 1 . . 30 . . 54 GLU N . 27700 1 221 . 1 1 55 55 THR H H 1 8.331 0.003 . 1 . . 47 . . 55 THR H . 27700 1 222 . 1 1 55 55 THR N N 15 117.426 0.015 . 1 . . 48 . . 55 THR N . 27700 1 223 . 1 1 56 56 ILE C C 13 179.535 . . 1 . . 462 . . 56 ILE C . 27700 1 224 . 1 1 56 56 ILE CA C 13 67.061 . . 1 . . 464 . . 56 ILE CA . 27700 1 225 . 1 1 56 56 ILE CB C 13 38.465 . . 1 . . 463 . . 56 ILE CB . 27700 1 226 . 1 1 57 57 ARG H H 1 8.444 0.006 . 1 . . 175 . . 57 ARG H . 27700 1 227 . 1 1 57 57 ARG C C 13 178.587 0.007 . 1 . . 533 . . 57 ARG C . 27700 1 228 . 1 1 57 57 ARG CA C 13 59.585 0.038 . 1 . . 465 . . 57 ARG CA . 27700 1 229 . 1 1 57 57 ARG CB C 13 30.378 0.029 . 1 . . 466 . . 57 ARG CB . 27700 1 230 . 1 1 57 57 ARG N N 15 120.985 0.023 . 1 . . 176 . . 57 ARG N . 27700 1 231 . 1 1 58 58 ARG H H 1 8.201 0.004 . 1 . . 25 . . 58 ARG H . 27700 1 232 . 1 1 58 58 ARG C C 13 178.860 0.006 . 1 . . 258 . . 58 ARG C . 27700 1 233 . 1 1 58 58 ARG CA C 13 59.070 0.026 . 1 . . 260 . . 58 ARG CA . 27700 1 234 . 1 1 58 58 ARG CB C 13 30.178 0.018 . 1 . . 259 . . 58 ARG CB . 27700 1 235 . 1 1 58 58 ARG N N 15 119.560 0.012 . 1 . . 26 . . 58 ARG N . 27700 1 236 . 1 1 59 59 LEU H H 1 8.155 0.005 . 1 . . 69 . . 59 LEU H . 27700 1 237 . 1 1 59 59 LEU C C 13 179.472 0.007 . 1 . . 335 . . 59 LEU C . 27700 1 238 . 1 1 59 59 LEU CA C 13 57.217 0.014 . 1 . . 337 . . 59 LEU CA . 27700 1 239 . 1 1 59 59 LEU CB C 13 42.243 0.017 . 1 . . 336 . . 59 LEU CB . 27700 1 240 . 1 1 59 59 LEU N N 15 118.907 0.008 . 1 . . 70 . . 59 LEU N . 27700 1 241 . 1 1 60 60 GLY H H 1 7.489 0.002 . 1 . . 143 . . 60 GLY H . 27700 1 242 . 1 1 60 60 GLY C C 13 175.095 0.01 . 1 . . 534 . . 60 GLY C . 27700 1 243 . 1 1 60 60 GLY CA C 13 47.603 0.007 . 1 . . 280 . . 60 GLY CA . 27700 1 244 . 1 1 60 60 GLY N N 15 105.025 0.007 . 1 . . 144 . . 60 GLY N . 27700 1 245 . 1 1 61 61 GLU H H 1 8.648 0.002 . 1 . . 37 . . 61 GLU H . 27700 1 246 . 1 1 61 61 GLU C C 13 179.271 0.007 . 1 . . 279 . . 61 GLU C . 27700 1 247 . 1 1 61 61 GLU CA C 13 57.791 0.008 . 1 . . 281 . . 61 GLU CA . 27700 1 248 . 1 1 61 61 GLU N N 15 119.124 0.006 . 1 . . 38 . . 61 GLU N . 27700 1 249 . 1 1 62 62 ARG H H 1 9.244 0.003 . 1 . . 77 . . 62 ARG H . 27700 1 250 . 1 1 62 62 ARG C C 13 177.107 0.017 . 1 . . 501 . . 62 ARG C . 27700 1 251 . 1 1 62 62 ARG CA C 13 59.510 0.035 . 1 . . 503 . . 62 ARG CA . 27700 1 252 . 1 1 62 62 ARG CB C 13 30.129 0.033 . 1 . . 282 . . 62 ARG CB . 27700 1 253 . 1 1 62 62 ARG N N 15 128.488 0.007 . 1 . . 78 . . 62 ARG N . 27700 1 254 . 1 1 63 63 ASN H H 1 8.699 0.003 . 1 . . 211 . . 63 ASN H . 27700 1 255 . 1 1 63 63 ASN C C 13 174.844 0.009 . 1 . . 502 . . 63 ASN C . 27700 1 256 . 1 1 63 63 ASN CA C 13 51.810 0.034 . 1 . . 504 . . 63 ASN CA . 27700 1 257 . 1 1 63 63 ASN CB C 13 38.460 0.019 . 1 . . 505 . . 63 ASN CB . 27700 1 258 . 1 1 63 63 ASN N N 15 115.008 0.008 . 1 . . 212 . . 63 ASN N . 27700 1 259 . 1 1 64 64 GLY H H 1 7.023 0.003 . 1 . . 191 . . 64 GLY H . 27700 1 260 . 1 1 64 64 GLY C C 13 171.974 0.01 . 1 . . 535 . . 64 GLY C . 27700 1 261 . 1 1 64 64 GLY CA C 13 44.806 0.007 . 1 . . 485 . . 64 GLY CA . 27700 1 262 . 1 1 64 64 GLY N N 15 104.616 0.01 . 1 . . 192 . . 64 GLY N . 27700 1 263 . 1 1 65 65 SER H H 1 8.623 0.002 . 1 . . 89 . . 65 SER H . 27700 1 264 . 1 1 65 65 SER C C 13 173.650 0.024 . 1 . . 478 . . 65 SER C . 27700 1 265 . 1 1 65 65 SER CA C 13 57.242 0.006 . 1 . . 351 . . 65 SER CA . 27700 1 266 . 1 1 65 65 SER CB C 13 66.772 0.03 . 1 . . 352 . . 65 SER CB . 27700 1 267 . 1 1 65 65 SER N N 15 113.504 0.005 . 1 . . 90 . . 65 SER N . 27700 1 268 . 1 1 66 66 SER H H 1 8.775 0.003 . 1 . . 187 . . 66 SER H . 27700 1 269 . 1 1 66 66 SER C C 13 174.559 0.005 . 1 . . 536 . . 66 SER C . 27700 1 270 . 1 1 66 66 SER CA C 13 56.787 0.029 . 1 . . 480 . . 66 SER CA . 27700 1 271 . 1 1 66 66 SER CB C 13 65.472 0.04 . 1 . . 479 . . 66 SER CB . 27700 1 272 . 1 1 66 66 SER N N 15 121.927 0.007 . 1 . . 188 . . 66 SER N . 27700 1 273 . 1 1 67 67 LEU H H 1 9.391 0.003 . 1 . . 111 . . 67 LEU H . 27700 1 274 . 1 1 67 67 LEU C C 13 177.734 0.007 . 1 . . 537 . . 67 LEU C . 27700 1 275 . 1 1 67 67 LEU CA C 13 58.924 0.007 . 1 . . 378 . . 67 LEU CA . 27700 1 276 . 1 1 67 67 LEU CB C 13 40.633 0.003 . 1 . . 379 . . 67 LEU CB . 27700 1 277 . 1 1 67 67 LEU N N 15 121.669 0.009 . 1 . . 112 . . 67 LEU N . 27700 1 278 . 1 1 68 68 ALA H H 1 8.587 0.003 . 1 . . 171 . . 68 ALA H . 27700 1 279 . 1 1 68 68 ALA C C 13 180.259 0.011 . 1 . . 457 . . 68 ALA C . 27700 1 280 . 1 1 68 68 ALA CA C 13 55.814 0.007 . 1 . . 458 . . 68 ALA CA . 27700 1 281 . 1 1 68 68 ALA CB C 13 18.193 0.025 . 1 . . 459 . . 68 ALA CB . 27700 1 282 . 1 1 68 68 ALA N N 15 120.176 0.006 . 1 . . 172 . . 68 ALA N . 27700 1 283 . 1 1 69 69 LYS H H 1 7.870 0.002 . 1 . . 197 . . 69 LYS H . 27700 1 284 . 1 1 69 69 LYS C C 13 179.148 0.003 . 1 . . 495 . . 69 LYS C . 27700 1 285 . 1 1 69 69 LYS CA C 13 58.673 0.007 . 1 . . 443 . . 69 LYS CA . 27700 1 286 . 1 1 69 69 LYS CB C 13 32.658 0.014 . 1 . . 496 . . 69 LYS CB . 27700 1 287 . 1 1 69 69 LYS N N 15 120.635 0.007 . 1 . . 198 . . 69 LYS N . 27700 1 288 . 1 1 70 70 ILE H H 1 8.531 0.004 . 1 . . 161 . . 70 ILE H . 27700 1 289 . 1 1 70 70 ILE C C 13 177.423 0.002 . 1 . . 538 . . 70 ILE C . 27700 1 290 . 1 1 70 70 ILE CA C 13 65.375 0.023 . 1 . . 430 . . 70 ILE CA . 27700 1 291 . 1 1 70 70 ILE CB C 13 38.853 0.033 . 1 . . 444 . . 70 ILE CB . 27700 1 292 . 1 1 70 70 ILE N N 15 120.331 0.071 . 1 . . 162 . . 70 ILE N . 27700 1 293 . 1 1 71 71 TYR H H 1 9.315 0.002 . 1 . . 155 . . 71 TYR H . 27700 1 294 . 1 1 71 71 TYR C C 13 175.450 0.014 . 1 . . 539 . . 71 TYR C . 27700 1 295 . 1 1 71 71 TYR CA C 13 60.726 0.036 . 1 . . 277 . . 71 TYR CA . 27700 1 296 . 1 1 71 71 TYR CB C 13 38.070 0.026 . 1 . . 431 . . 71 TYR CB . 27700 1 297 . 1 1 71 71 TYR N N 15 120.229 0.006 . 1 . . 156 . . 71 TYR N . 27700 1 298 . 1 1 72 72 THR H H 1 7.936 0.002 . 1 . . 35 . . 72 THR H . 27700 1 299 . 1 1 72 72 THR C C 13 175.274 0.016 . 1 . . 276 . . 72 THR C . 27700 1 300 . 1 1 72 72 THR CA C 13 67.134 0.008 . 1 . . 278 . . 72 THR CA . 27700 1 301 . 1 1 72 72 THR CB C 13 68.692 0.016 . 1 . . 247 . . 72 THR CB . 27700 1 302 . 1 1 72 72 THR N N 15 114.430 0.008 . 1 . . 36 . . 72 THR N . 27700 1 303 . 1 1 73 73 GLU H H 1 7.236 0.003 . 1 . . 19 . . 73 GLU H . 27700 1 304 . 1 1 73 73 GLU C C 13 178.729 0.004 . 1 . . 246 . . 73 GLU C . 27700 1 305 . 1 1 73 73 GLU CA C 13 57.289 0.005 . 1 . . 248 . . 73 GLU CA . 27700 1 306 . 1 1 73 73 GLU CB C 13 30.035 0.016 . 1 . . 449 . . 73 GLU CB . 27700 1 307 . 1 1 73 73 GLU N N 15 117.750 0.009 . 1 . . 20 . . 73 GLU N . 27700 1 308 . 1 1 74 74 ALA H H 1 9.037 0.002 . 1 . . 165 . . 74 ALA H . 27700 1 309 . 1 1 74 74 ALA C C 13 177.239 0.008 . 1 . . 448 . . 74 ALA C . 27700 1 310 . 1 1 74 74 ALA CA C 13 54.808 0.008 . 1 . . 450 . . 74 ALA CA . 27700 1 311 . 1 1 74 74 ALA CB C 13 18.712 0.012 . 1 . . 361 . . 74 ALA CB . 27700 1 312 . 1 1 74 74 ALA N N 15 125.163 0.009 . 1 . . 166 . . 74 ALA N . 27700 1 313 . 1 1 75 75 LYS H H 1 7.305 0.002 . 1 . . 95 . . 75 LYS H . 27700 1 314 . 1 1 75 75 LYS C C 13 176.019 0.006 . 1 . . 360 . . 75 LYS C . 27700 1 315 . 1 1 75 75 LYS CA C 13 56.658 0.042 . 1 . . 363 . . 75 LYS CA . 27700 1 316 . 1 1 75 75 LYS CB C 13 30.789 . . 1 . . 362 . . 75 LYS CB . 27700 1 317 . 1 1 75 75 LYS N N 15 111.411 0.01 . 1 . . 96 . . 75 LYS N . 27700 1 318 . 1 1 76 76 LYS H H 1 6.736 0.005 . 1 . . 205 . . 76 LYS H . 27700 1 319 . 1 1 76 76 LYS C C 13 177.684 0.026 . 1 . . 541 . . 76 LYS C . 27700 1 320 . 1 1 76 76 LYS CA C 13 56.934 . . 1 . . 236 . . 76 LYS CA . 27700 1 321 . 1 1 76 76 LYS CB C 13 33.375 0.049 . 1 . . 540 . . 76 LYS CB . 27700 1 322 . 1 1 76 76 LYS N N 15 117.569 0.008 . 1 . . 206 . . 76 LYS N . 27700 1 323 . 1 1 77 77 VAL H H 1 7.365 0.002 . 1 . . 13 . . 77 VAL H . 27700 1 324 . 1 1 77 77 VAL C C 13 177.183 . . 1 . . 235 . . 77 VAL C . 27700 1 325 . 1 1 77 77 VAL CA C 13 60.474 . . 1 . . 238 . . 77 VAL CA . 27700 1 326 . 1 1 77 77 VAL CB C 13 31.249 . . 1 . . 237 . . 77 VAL CB . 27700 1 327 . 1 1 77 77 VAL N N 15 120.673 0.007 . 1 . . 14 . . 77 VAL N . 27700 1 328 . 1 1 79 79 TRP C C 13 176.119 . . 1 . . 330 . . 79 TRP C . 27700 1 329 . 1 1 79 79 TRP CA C 13 53.515 . . 1 . . 333 . . 79 TRP CA . 27700 1 330 . 1 1 79 79 TRP CB C 13 29.021 . . 1 . . 332 . . 79 TRP CB . 27700 1 331 . 1 1 80 80 PHE H H 1 7.178 0.003 . 1 . . 65 . . 80 PHE H . 27700 1 332 . 1 1 80 80 PHE C C 13 175.015 0.005 . 1 . . 331 . . 80 PHE C . 27700 1 333 . 1 1 80 80 PHE CA C 13 60.410 0.0 . 1 . . 338 . . 80 PHE CA . 27700 1 334 . 1 1 80 80 PHE CB C 13 39.976 0.094 . 1 . . 334 . . 80 PHE CB . 27700 1 335 . 1 1 80 80 PHE N N 15 125.080 0.006 . 1 . . 66 . . 80 PHE N . 27700 1 336 . 1 1 81 81 ASP H H 1 7.086 0.003 . 1 . . 73 . . 81 ASP H . 27700 1 337 . 1 1 81 81 ASP C C 13 175.737 0.01 . 1 . . 542 . . 81 ASP C . 27700 1 338 . 1 1 81 81 ASP CA C 13 53.293 0.018 . 1 . . 339 . . 81 ASP CA . 27700 1 339 . 1 1 81 81 ASP CB C 13 41.099 0.007 . 1 . . 243 . . 81 ASP CB . 27700 1 340 . 1 1 81 81 ASP N N 15 127.530 0.006 . 1 . . 74 . . 81 ASP N . 27700 1 341 . 1 1 82 82 GLN H H 1 9.151 0.002 . 1 . . 17 . . 82 GLN H . 27700 1 342 . 1 1 82 82 GLN C C 13 178.358 0.002 . 1 . . 242 . . 82 GLN C . 27700 1 343 . 1 1 82 82 GLN CA C 13 58.019 0.004 . 1 . . 244 . . 82 GLN CA . 27700 1 344 . 1 1 82 82 GLN CB C 13 27.380 0.015 . 1 . . 245 . . 82 GLN CB . 27700 1 345 . 1 1 82 82 GLN N N 15 126.008 0.012 . 1 . . 18 . . 82 GLN N . 27700 1 346 . 1 1 83 83 GLN H H 1 8.278 0.009 . 1 . . 133 . . 83 GLN H . 27700 1 347 . 1 1 83 83 GLN C C 13 176.988 0.016 . 1 . . 543 . . 83 GLN C . 27700 1 348 . 1 1 83 83 GLN CA C 13 58.223 0.016 . 1 . . 406 . . 83 GLN CA . 27700 1 349 . 1 1 83 83 GLN CB C 13 29.394 . . 1 . . 514 . . 83 GLN CB . 27700 1 350 . 1 1 83 83 GLN N N 15 118.879 0.086 . 1 . . 134 . . 83 GLN N . 27700 1 351 . 1 1 84 84 ASN H H 1 8.000 0.003 . 1 . . 215 . . 84 ASN H . 27700 1 352 . 1 1 84 84 ASN C C 13 174.855 0.011 . 1 . . 513 . . 84 ASN C . 27700 1 353 . 1 1 84 84 ASN CA C 13 52.754 0.027 . 1 . . 515 . . 84 ASN CA . 27700 1 354 . 1 1 84 84 ASN CB C 13 41.387 0.001 . 1 . . 376 . . 84 ASN CB . 27700 1 355 . 1 1 84 84 ASN N N 15 115.675 0.009 . 1 . . 216 . . 84 ASN N . 27700 1 356 . 1 1 85 85 GLY H H 1 8.075 0.002 . 1 . . 109 . . 85 GLY H . 27700 1 357 . 1 1 85 85 GLY C C 13 175.140 0.007 . 1 . . 544 . . 85 GLY C . 27700 1 358 . 1 1 85 85 GLY CA C 13 48.145 0.003 . 1 . . 377 . . 85 GLY CA . 27700 1 359 . 1 1 85 85 GLY N N 15 110.000 0.008 . 1 . . 110 . . 85 GLY N . 27700 1 360 . 1 1 86 86 ARG H H 1 8.975 0.002 . 1 . . 147 . . 86 ARG H . 27700 1 361 . 1 1 86 86 ARG C C 13 178.026 0.006 . 1 . . 419 . . 86 ARG C . 27700 1 362 . 1 1 86 86 ARG CA C 13 61.024 0.012 . 1 . . 420 . . 86 ARG CA . 27700 1 363 . 1 1 86 86 ARG CB C 13 29.182 0.031 . 1 . . 421 . . 86 ARG CB . 27700 1 364 . 1 1 86 86 ARG N N 15 122.461 0.013 . 1 . . 148 . . 86 ARG N . 27700 1 365 . 1 1 87 87 THR H H 1 7.424 0.002 . 1 . . 55 . . 87 THR H . 27700 1 366 . 1 1 87 87 THR C C 13 176.084 0.011 . 1 . . 425 . . 87 THR C . 27700 1 367 . 1 1 87 87 THR CA C 13 66.614 0.026 . 1 . . 309 . . 87 THR CA . 27700 1 368 . 1 1 87 87 THR CB C 13 67.877 0.031 . 1 . . 310 . . 87 THR CB . 27700 1 369 . 1 1 87 87 THR N N 15 117.246 0.005 . 1 . . 56 . . 87 THR N . 27700 1 370 . 1 1 88 88 TYR H H 1 7.432 0.002 . 1 . . 151 . . 88 TYR H . 27700 1 371 . 1 1 88 88 TYR C C 13 180.429 0.017 . 1 . . 426 . . 88 TYR C . 27700 1 372 . 1 1 88 88 TYR CA C 13 57.842 0.015 . 1 . . 427 . . 88 TYR CA . 27700 1 373 . 1 1 88 88 TYR CB C 13 34.887 0.03 . 1 . . 428 . . 88 TYR CB . 27700 1 374 . 1 1 88 88 TYR N N 15 121.351 0.008 . 1 . . 152 . . 88 TYR N . 27700 1 375 . 1 1 89 89 LEU H H 1 8.811 0.002 . 1 . . 141 . . 89 LEU H . 27700 1 376 . 1 1 89 89 LEU C C 13 178.091 0.001 . 1 . . 486 . . 89 LEU C . 27700 1 377 . 1 1 89 89 LEU CA C 13 58.272 0.045 . 1 . . 416 . . 89 LEU CA . 27700 1 378 . 1 1 89 89 LEU CB C 13 42.189 0.011 . 1 . . 415 . . 89 LEU CB . 27700 1 379 . 1 1 89 89 LEU N N 15 121.369 0.009 . 1 . . 142 . . 89 LEU N . 27700 1 380 . 1 1 90 90 LYS H H 1 8.039 0.015 . 1 . . 193 . . 90 LYS H . 27700 1 381 . 1 1 90 90 LYS C C 13 179.232 0.007 . 1 . . 487 . . 90 LYS C . 27700 1 382 . 1 1 90 90 LYS CA C 13 60.850 0.011 . 1 . . 488 . . 90 LYS CA . 27700 1 383 . 1 1 90 90 LYS CB C 13 32.182 0.04 . 1 . . 489 . . 90 LYS CB . 27700 1 384 . 1 1 90 90 LYS N N 15 120.080 0.104 . 1 . . 194 . . 90 LYS N . 27700 1 385 . 1 1 91 91 TYR H H 1 8.249 0.006 . 1 . . 45 . . 91 TYR H . 27700 1 386 . 1 1 91 91 TYR C C 13 179.246 . . 1 . . 343 . . 91 TYR C . 27700 1 387 . 1 1 91 91 TYR CA C 13 60.494 0.047 . 1 . . 300 . . 91 TYR CA . 27700 1 388 . 1 1 91 91 TYR CB C 13 37.374 0.011 . 1 . . 299 . . 91 TYR CB . 27700 1 389 . 1 1 91 91 TYR N N 15 119.102 0.048 . 1 . . 46 . . 91 TYR N . 27700 1 390 . 1 1 92 92 SER H H 1 8.286 0.004 . 1 . . 81 . . 92 SER H . 27700 1 391 . 1 1 92 92 SER C C 13 175.648 . . 1 . . 460 . . 92 SER C . 27700 1 392 . 1 1 92 92 SER N N 15 118.674 0.128 . 1 . . 82 . . 92 SER N . 27700 1 393 . 1 1 93 93 ILE H H 1 8.543 0.002 . 1 . . 173 . . 93 ILE H . 27700 1 394 . 1 1 93 93 ILE C C 13 176.621 0.02 . 1 . . 546 . . 93 ILE C . 27700 1 395 . 1 1 93 93 ILE CA C 13 66.330 0.013 . 1 . . 545 . . 93 ILE CA . 27700 1 396 . 1 1 93 93 ILE CB C 13 37.781 0.011 . 1 . . 461 . . 93 ILE CB . 27700 1 397 . 1 1 93 93 ILE N N 15 122.179 0.014 . 1 . . 174 . . 93 ILE N . 27700 1 398 . 1 1 94 94 LYS H H 1 7.471 0.003 . 1 . . 7 . . 94 LYS H . 27700 1 399 . 1 1 94 94 LYS C C 13 179.333 0.009 . 1 . . 228 . . 94 LYS C . 27700 1 400 . 1 1 94 94 LYS CA C 13 60.025 0.006 . 1 . . 229 . . 94 LYS CA . 27700 1 401 . 1 1 94 94 LYS CB C 13 32.162 0.006 . 1 . . 230 . . 94 LYS CB . 27700 1 402 . 1 1 94 94 LYS N N 15 117.839 0.006 . 1 . . 8 . . 94 LYS N . 27700 1 403 . 1 1 95 95 ALA H H 1 7.610 0.002 . 1 . . 179 . . 95 ALA H . 27700 1 404 . 1 1 95 95 ALA C C 13 180.248 0.01 . 1 . . 469 . . 95 ALA C . 27700 1 405 . 1 1 95 95 ALA CA C 13 55.043 0.011 . 1 . . 470 . . 95 ALA CA . 27700 1 406 . 1 1 95 95 ALA CB C 13 18.087 0.023 . 1 . . 471 . . 95 ALA CB . 27700 1 407 . 1 1 95 95 ALA N N 15 122.078 0.007 . 1 . . 180 . . 95 ALA N . 27700 1 408 . 1 1 96 96 LEU H H 1 8.329 0.005 . 1 . . 177 . . 96 LEU H . 27700 1 409 . 1 1 96 96 LEU C C 13 179.957 0.002 . 1 . . 547 . . 96 LEU C . 27700 1 410 . 1 1 96 96 LEU CA C 13 56.074 0.002 . 1 . . 468 . . 96 LEU CA . 27700 1 411 . 1 1 96 96 LEU CB C 13 42.556 0.037 . 1 . . 467 . . 96 LEU CB . 27700 1 412 . 1 1 96 96 LEU N N 15 120.182 0.03 . 1 . . 178 . . 96 LEU N . 27700 1 413 . 1 1 97 97 VAL H H 1 8.455 0.015 . 1 . . 131 . . 97 VAL H . 27700 1 414 . 1 1 97 97 VAL C C 13 180.631 0.003 . 1 . . 404 . . 97 VAL C . 27700 1 415 . 1 1 97 97 VAL CA C 13 65.224 0.018 . 1 . . 482 . . 97 VAL CA . 27700 1 416 . 1 1 97 97 VAL CB C 13 32.219 0.007 . 1 . . 548 . . 97 VAL CB . 27700 1 417 . 1 1 97 97 VAL N N 15 123.078 0.011 . 1 . . 132 . . 97 VAL N . 27700 1 418 . 1 1 98 98 GLN H H 1 7.962 0.012 . 1 . . 189 . . 98 GLN H . 27700 1 419 . 1 1 98 98 GLN C C 13 177.079 . . 1 . . 549 . . 98 GLN C . 27700 1 420 . 1 1 98 98 GLN CA C 13 58.891 0.032 . 1 . . 484 . . 98 GLN CA . 27700 1 421 . 1 1 98 98 GLN CB C 13 28.249 0.006 . 1 . . 483 . . 98 GLN CB . 27700 1 422 . 1 1 98 98 GLN N N 15 121.014 0.016 . 1 . . 190 . . 98 GLN N . 27700 1 423 . 1 1 99 99 ASN H H 1 7.680 0.004 . 1 . . 43 . . 99 ASN H . 27700 1 424 . 1 1 99 99 ASN C C 13 175.256 0.009 . 1 . . 292 . . 99 ASN C . 27700 1 425 . 1 1 99 99 ASN CA C 13 51.481 0.039 . 1 . . 297 . . 99 ASN CA . 27700 1 426 . 1 1 99 99 ASN CB C 13 37.627 0.021 . 1 . . 296 . . 99 ASN CB . 27700 1 427 . 1 1 99 99 ASN N N 15 114.287 0.128 . 1 . . 44 . . 99 ASN N . 27700 1 428 . 1 1 100 100 ASP H H 1 7.809 0.003 . 1 . . 27 . . 100 ASP H . 27700 1 429 . 1 1 100 100 ASP C C 13 175.796 0.009 . 1 . . 261 . . 100 ASP C . 27700 1 430 . 1 1 100 100 ASP CA C 13 56.328 0.018 . 1 . . 262 . . 100 ASP CA . 27700 1 431 . 1 1 100 100 ASP CB C 13 39.840 0.0 . 1 . . 263 . . 100 ASP CB . 27700 1 432 . 1 1 100 100 ASP N N 15 113.505 0.008 . 1 . . 28 . . 100 ASP N . 27700 1 433 . 1 1 101 101 THR H H 1 8.807 0.002 . 1 . . 49 . . 101 THR H . 27700 1 434 . 1 1 101 101 THR C C 13 175.466 0.013 . 1 . . 301 . . 101 THR C . 27700 1 435 . 1 1 101 101 THR CA C 13 67.058 0.004 . 1 . . 302 . . 101 THR CA . 27700 1 436 . 1 1 101 101 THR CB C 13 68.180 0.009 . 1 . . 303 . . 101 THR CB . 27700 1 437 . 1 1 101 101 THR N N 15 119.040 0.009 . 1 . . 50 . . 101 THR N . 27700 1 438 . 1 1 102 102 LEU H H 1 7.724 0.003 . 1 . . 3 . . 102 LEU H . 27700 1 439 . 1 1 102 102 LEU C C 13 174.905 0.007 . 1 . . 223 . . 102 LEU C . 27700 1 440 . 1 1 102 102 LEU CA C 13 51.927 0.007 . 1 . . 221 . . 102 LEU CA . 27700 1 441 . 1 1 102 102 LEU CB C 13 45.604 0.031 . 1 . . 222 . . 102 LEU CB . 27700 1 442 . 1 1 102 102 LEU N N 15 119.956 0.009 . 1 . . 4 . . 102 LEU N . 27700 1 443 . 1 1 103 103 LEU H H 1 9.100 0.002 . 1 . . 15 . . 103 LEU H . 27700 1 444 . 1 1 103 103 LEU C C 13 175.620 0.001 . 1 . . 239 . . 103 LEU C . 27700 1 445 . 1 1 103 103 LEU CA C 13 53.343 0.024 . 1 . . 241 . . 103 LEU CA . 27700 1 446 . 1 1 103 103 LEU CB C 13 44.540 0.037 . 1 . . 240 . . 103 LEU CB . 27700 1 447 . 1 1 103 103 LEU N N 15 119.847 0.008 . 1 . . 16 . . 103 LEU N . 27700 1 448 . 1 1 104 104 GLN H H 1 8.986 0.002 . 1 . . 101 . . 104 GLN H . 27700 1 449 . 1 1 104 104 GLN C C 13 175.252 0.004 . 1 . . 366 . . 104 GLN C . 27700 1 450 . 1 1 104 104 GLN CA C 13 54.983 0.019 . 1 . . 367 . . 104 GLN CA . 27700 1 451 . 1 1 104 104 GLN CB C 13 29.306 0.035 . 1 . . 368 . . 104 GLN CB . 27700 1 452 . 1 1 104 104 GLN N N 15 125.025 0.027 . 1 . . 102 . . 104 GLN N . 27700 1 453 . 1 1 105 105 VAL H H 1 8.571 0.009 . 1 . . 91 . . 105 VAL H . 27700 1 454 . 1 1 105 105 VAL C C 13 175.633 . . 1 . . 353 . . 105 VAL C . 27700 1 455 . 1 1 105 105 VAL CA C 13 61.871 . . 1 . . 355 . . 105 VAL CA . 27700 1 456 . 1 1 105 105 VAL CB C 13 32.836 . . 1 . . 354 . . 105 VAL CB . 27700 1 457 . 1 1 105 105 VAL N N 15 127.681 0.027 . 1 . . 92 . . 105 VAL N . 27700 1 458 . 1 1 106 106 LYS C C 13 176.455 . . 1 . . 554 . . 106 LYS C . 27700 1 459 . 1 1 106 106 LYS CA C 13 57.455 . . 1 . . 556 . . 106 LYS CA . 27700 1 460 . 1 1 106 106 LYS CB C 13 31.429 1.545 . 1 . . 555 . . 106 LYS CB . 27700 1 461 . 1 1 107 107 GLY H H 1 8.378 0.007 . 1 . . 552 . . 107 GLY H . 27700 1 462 . 1 1 107 107 GLY C C 13 173.390 0.013 . 1 . . 347 . . 107 GLY C . 27700 1 463 . 1 1 107 107 GLY CA C 13 44.887 0.032 . 1 . . 349 . . 107 GLY CA . 27700 1 464 . 1 1 107 107 GLY N N 15 110.187 0.08 . 1 . . 553 . . 107 GLY N . 27700 1 465 . 1 1 108 108 THR H H 1 8.042 0.002 . 1 . . 85 . . 108 THR H . 27700 1 466 . 1 1 108 108 THR C C 13 175.255 0.008 . 1 . . 348 . . 108 THR C . 27700 1 467 . 1 1 108 108 THR CA C 13 61.313 0.015 . 1 . . 499 . . 108 THR CA . 27700 1 468 . 1 1 108 108 THR CB C 13 70.135 0.014 . 1 . . 350 . . 108 THR CB . 27700 1 469 . 1 1 108 108 THR N N 15 111.907 0.009 . 1 . . 86 . . 108 THR N . 27700 1 470 . 1 1 109 109 GLY H H 1 8.677 0.002 . 1 . . 209 . . 109 GLY H . 27700 1 471 . 1 1 109 109 GLY C C 13 174.625 0.005 . 1 . . 498 . . 109 GLY C . 27700 1 472 . 1 1 109 109 GLY CA C 13 45.692 0.003 . 1 . . 500 . . 109 GLY CA . 27700 1 473 . 1 1 109 109 GLY N N 15 112.665 0.007 . 1 . . 210 . . 109 GLY N . 27700 1 474 . 1 1 110 110 ALA H H 1 8.800 0.007 . 1 . . 41 . . 110 ALA H . 27700 1 475 . 1 1 110 110 ALA C C 13 177.682 0.007 . 1 . . 287 . . 110 ALA C . 27700 1 476 . 1 1 110 110 ALA CA C 13 53.099 0.006 . 1 . . 289 . . 110 ALA CA . 27700 1 477 . 1 1 110 110 ALA CB C 13 19.027 0.02 . 1 . . 288 . . 110 ALA CB . 27700 1 478 . 1 1 110 110 ALA N N 15 126.109 0.054 . 1 . . 42 . . 110 ALA N . 27700 1 479 . 1 1 111 111 ASN H H 1 8.124 0.002 . 1 . . 135 . . 111 ASN H . 27700 1 480 . 1 1 111 111 ASN C C 13 174.739 0.008 . 1 . . 407 . . 111 ASN C . 27700 1 481 . 1 1 111 111 ASN CA C 13 52.854 0.018 . 1 . . 409 . . 111 ASN CA . 27700 1 482 . 1 1 111 111 ASN CB C 13 39.446 0.016 . 1 . . 408 . . 111 ASN CB . 27700 1 483 . 1 1 111 111 ASN N N 15 116.337 0.007 . 1 . . 136 . . 111 ASN N . 27700 1 484 . 1 1 112 112 GLY H H 1 8.211 0.003 . 1 . . 97 . . 112 GLY H . 27700 1 485 . 1 1 112 112 GLY C C 13 172.793 0.009 . 1 . . 364 . . 112 GLY C . 27700 1 486 . 1 1 112 112 GLY CA C 13 44.814 0.017 . 1 . . 255 . . 112 GLY CA . 27700 1 487 . 1 1 112 112 GLY N N 15 108.080 0.011 . 1 . . 98 . . 112 GLY N . 27700 1 488 . 1 1 113 113 SER H H 1 7.749 0.003 . 1 . . 23 . . 113 SER H . 27700 1 489 . 1 1 113 113 SER C C 13 172.300 0.01 . 1 . . 254 . . 113 SER C . 27700 1 490 . 1 1 113 113 SER CA C 13 56.752 0.007 . 1 . . 256 . . 113 SER CA . 27700 1 491 . 1 1 113 113 SER CB C 13 65.157 0.006 . 1 . . 257 . . 113 SER CB . 27700 1 492 . 1 1 113 113 SER N N 15 114.500 0.004 . 1 . . 24 . . 113 SER N . 27700 1 493 . 1 1 114 114 PHE H H 1 8.410 0.003 . 1 . . 1 . . 114 PHE H . 27700 1 494 . 1 1 114 114 PHE C C 13 174.086 . . 1 . . 474 . . 114 PHE C . 27700 1 495 . 1 1 114 114 PHE CA C 13 57.624 0.019 . 1 . . 219 . . 114 PHE CA . 27700 1 496 . 1 1 114 114 PHE CB C 13 42.954 0.027 . 1 . . 220 . . 114 PHE CB . 27700 1 497 . 1 1 114 114 PHE N N 15 120.009 0.021 . 1 . . 2 . . 114 PHE N . 27700 1 498 . 1 1 115 115 LYS H H 1 8.834 0.002 . 1 . . 185 . . 115 LYS H . 27700 1 499 . 1 1 115 115 LYS C C 13 175.626 0.008 . 1 . . 475 . . 115 LYS C . 27700 1 500 . 1 1 115 115 LYS CA C 13 53.409 0.009 . 1 . . 476 . . 115 LYS CA . 27700 1 501 . 1 1 115 115 LYS CB C 13 37.422 0.014 . 1 . . 477 . . 115 LYS CB . 27700 1 502 . 1 1 115 115 LYS N N 15 119.997 0.009 . 1 . . 186 . . 115 LYS N . 27700 1 503 . 1 1 116 116 LEU H H 1 9.085 0.002 . 1 . . 163 . . 116 LEU H . 27700 1 504 . 1 1 116 116 LEU C C 13 177.173 0.011 . 1 . . 445 . . 116 LEU C . 27700 1 505 . 1 1 116 116 LEU CA C 13 56.131 . . 1 . . 446 . . 116 LEU CA . 27700 1 506 . 1 1 116 116 LEU CB C 13 41.416 . . 1 . . 447 . . 116 LEU CB . 27700 1 507 . 1 1 116 116 LEU N N 15 122.305 0.009 . 1 . . 164 . . 116 LEU N . 27700 1 508 . 1 1 117 117 ASN H H 1 8.188 0.003 . 1 . . 107 . . 117 ASN H . 27700 1 509 . 1 1 117 117 ASN C C 13 174.778 0.006 . 1 . . 371 . . 117 ASN C . 27700 1 510 . 1 1 117 117 ASN CA C 13 54.751 . . 1 . . 375 . . 117 ASN CA . 27700 1 511 . 1 1 117 117 ASN N N 15 121.954 0.009 . 1 . . 108 . . 117 ASN N . 27700 1 512 . 1 1 118 118 ARG H H 1 8.094 0.002 . 1 . . 67 . . 118 ARG H . 27700 1 513 . 1 1 118 118 ARG C C 13 174.792 0.008 . 1 . . 559 . . 118 ARG C . 27700 1 514 . 1 1 118 118 ARG CA C 13 55.630 0.006 . 1 . . 323 . . 118 ARG CA . 27700 1 515 . 1 1 118 118 ARG CB C 13 30.997 0.006 . 1 . . 324 . . 118 ARG CB . 27700 1 516 . 1 1 118 118 ARG N N 15 123.841 0.009 . 1 . . 68 . . 118 ARG N . 27700 1 517 . 1 1 119 119 LYS H H 1 8.078 0.002 . 1 . . 169 . . 119 LYS H . 27700 1 518 . 1 1 119 119 LYS C C 13 181.479 . . 1 . . 454 . . 119 LYS C . 27700 1 519 . 1 1 119 119 LYS CA C 13 57.825 . . 1 . . 456 . . 119 LYS CA . 27700 1 520 . 1 1 119 119 LYS CB C 13 33.457 . . 1 . . 455 . . 119 LYS CB . 27700 1 521 . 1 1 119 119 LYS N N 15 128.919 0.003 . 1 . . 170 . . 119 LYS N . 27700 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 27700 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $CondSet1 _Spectral_peak_list.Experiment_ID 1 _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 . . 5180.54496951 . . . . . . . 27700 1 2 . . N 15 15N . . 3467.40638003 . . . . . . . 27700 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27700 1 2 1.0 . . 27700 1 3 1.0 . . 27700 1 4 1.0 . . 27700 1 5 1.0 . . 27700 1 6 1.0 . . 27700 1 7 1.0 . . 27700 1 8 1.0 . . 27700 1 9 1.0 . . 27700 1 10 1.0 . . 27700 1 11 1.0 . . 27700 1 12 1.0 . . 27700 1 13 1.0 . . 27700 1 14 1.0 . . 27700 1 15 1.0 . . 27700 1 16 1.0 . . 27700 1 17 1.0 . . 27700 1 18 1.0 . . 27700 1 19 1.0 . . 27700 1 20 1.0 . . 27700 1 21 1.0 . . 27700 1 22 1.0 . . 27700 1 23 1.0 . . 27700 1 24 1.0 . . 27700 1 25 1.0 . . 27700 1 26 1.0 . . 27700 1 27 1.0 . . 27700 1 28 1.0 . . 27700 1 29 1.0 . . 27700 1 30 1.0 . . 27700 1 31 1.0 . . 27700 1 32 1.0 . . 27700 1 33 1.0 . . 27700 1 34 1.0 . . 27700 1 35 1.0 . . 27700 1 36 1.0 . . 27700 1 37 1.0 . . 27700 1 38 1.0 . . 27700 1 39 1.0 . . 27700 1 40 1.0 . . 27700 1 41 1.0 . . 27700 1 42 1.0 . . 27700 1 43 1.0 . . 27700 1 44 1.0 . . 27700 1 45 1.0 . . 27700 1 46 1.0 . . 27700 1 47 1.0 . . 27700 1 48 1.0 . . 27700 1 49 1.0 . . 27700 1 50 1.0 . . 27700 1 51 1.0 . . 27700 1 52 1.0 . . 27700 1 53 1.0 . . 27700 1 54 1.0 . . 27700 1 55 1.0 . . 27700 1 56 1.0 . . 27700 1 57 1.0 . . 27700 1 58 1.0 . . 27700 1 59 1.0 . . 27700 1 60 1.0 . . 27700 1 61 1.0 . . 27700 1 62 1.0 . . 27700 1 63 1.0 . . 27700 1 64 1.0 . . 27700 1 65 1.0 . . 27700 1 66 1.0 . . 27700 1 67 1.0 . . 27700 1 68 1.0 . . 27700 1 69 1.0 . . 27700 1 70 1.0 . . 27700 1 71 1.0 . . 27700 1 72 1.0 . . 27700 1 73 1.0 . . 27700 1 74 1.0 . . 27700 1 75 1.0 . . 27700 1 76 1.0 . . 27700 1 77 1.0 . . 27700 1 78 1.0 . . 27700 1 79 1.0 . . 27700 1 80 1.0 . . 27700 1 81 1.0 . . 27700 1 82 1.0 . . 27700 1 83 1.0 . . 27700 1 84 1.0 . . 27700 1 85 1.0 . . 27700 1 86 1.0 . . 27700 1 87 1.0 . . 27700 1 88 1.0 . . 27700 1 89 1.0 . . 27700 1 90 1.0 . . 27700 1 91 1.0 . . 27700 1 92 1.0 . . 27700 1 93 1.0 . . 27700 1 94 1.0 . . 27700 1 95 1.0 . . 27700 1 96 1.0 . . 27700 1 97 1.0 . . 27700 1 98 1.0 . . 27700 1 99 1.0 . . 27700 1 100 1.0 . . 27700 1 101 1.0 . . 27700 1 102 1.0 . . 27700 1 103 1.0 . . 27700 1 104 1.0 . . 27700 1 105 1.0 . . 27700 1 106 1.0 . . 27700 1 107 1.0 . . 27700 1 108 1.0 . . 27700 1 109 1.0 . . 27700 1 110 1.0 . . 27700 1 111 1.0 . . 27700 1 112 1.0 . . 27700 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 298116.0625000 . height 27700 1 1 1721960.5703100 . volume 27700 1 2 42269.7031250 . height 27700 1 2 281201.0625000 . volume 27700 1 3 56037.1406250 . height 27700 1 3 342890.4609380 . volume 27700 1 4 41924.1171875 . height 27700 1 4 260853.3750000 . volume 27700 1 5 27841.6093750 . height 27700 1 5 201113.4062500 . volume 27700 1 6 373966.9687500 . height 27700 1 6 2288502.3828100 . volume 27700 1 7 354784.8125000 . height 27700 1 7 2052893.3437500 . volume 27700 1 8 352265.3437500 . height 27700 1 8 2084759.9687500 . volume 27700 1 9 243026.8125000 . height 27700 1 9 1441998.6250000 . volume 27700 1 10 67995.3906250 . height 27700 1 10 429360.5781250 . volume 27700 1 11 46252.8593750 . height 27700 1 11 294314.0156250 . volume 27700 1 12 321522.7500000 . height 27700 1 12 1909994.2578100 . volume 27700 1 13 342497.5625000 . height 27700 1 13 1980346.8281200 . volume 27700 1 14 81097.2421875 . height 27700 1 14 498654.3671880 . volume 27700 1 15 356943.8125000 . height 27700 1 15 2049266.2656200 . volume 27700 1 16 66184.8203125 . height 27700 1 16 384575.5859380 . volume 27700 1 17 100101.1953120 . height 27700 1 17 590909.0468750 . volume 27700 1 18 244365.3281250 . height 27700 1 18 1432440.6718800 . volume 27700 1 19 204006.6562500 . height 27700 1 19 1172269.9375000 . volume 27700 1 20 221454.8906250 . height 27700 1 20 1398300.0156200 . volume 27700 1 21 290271.6250000 . height 27700 1 21 1689127.5937500 . volume 27700 1 22 291530.0312500 . height 27700 1 22 1842643.1406200 . volume 27700 1 23 246909.8281250 . height 27700 1 23 1419345.2031200 . volume 27700 1 24 231652.5625000 . height 27700 1 24 1347815.3125000 . volume 27700 1 25 63996.8515625 . height 27700 1 25 439391.5781250 . volume 27700 1 26 344683.3125000 . height 27700 1 26 2008713.7578100 . volume 27700 1 27 403483.8437500 . height 27700 1 27 2423883.0625000 . volume 27700 1 28 198852.5781250 . height 27700 1 28 1186696.5234400 . volume 27700 1 29 203253.5312500 . height 27700 1 29 1391266.7031200 . volume 27700 1 30 549956.5000000 . height 27700 1 30 3434580.3281200 . volume 27700 1 31 274196.5625000 . height 27700 1 31 1649665.7812500 . volume 27700 1 32 66227.1093750 . height 27700 1 32 445564.9218750 . volume 27700 1 33 290362.0000000 . height 27700 1 33 1686592.2500000 . volume 27700 1 34 81967.5781250 . height 27700 1 34 493544.7187500 . volume 27700 1 35 95412.9453125 . height 27700 1 35 594556.7031250 . volume 27700 1 36 61467.9453125 . height 27700 1 36 389417.7500000 . volume 27700 1 37 97421.7890625 . height 27700 1 37 588477.2421880 . volume 27700 1 38 74484.9296875 . height 27700 1 38 447707.4531250 . volume 27700 1 39 140776.6250000 . height 27700 1 39 913677.1640620 . volume 27700 1 40 352086.7500000 . height 27700 1 40 2131069.4296900 . volume 27700 1 41 54981.4296875 . height 27700 1 41 348266.3359380 . volume 27700 1 42 266171.0312500 . height 27700 1 42 1566553.7500000 . volume 27700 1 43 53217.8437500 . height 27700 1 43 343481.9453120 . volume 27700 1 44 56867.1562500 . height 27700 1 44 348881.2968750 . volume 27700 1 45 71560.3515625 . height 27700 1 45 433461.0937500 . volume 27700 1 46 63368.6406250 . height 27700 1 46 392756.9296880 . volume 27700 1 47 134326.0937500 . height 27700 1 47 834002.1015620 . volume 27700 1 48 75524.8671875 . height 27700 1 48 494372.0390620 . volume 27700 1 49 371256.0312500 . height 27700 1 49 2108754.9062500 . volume 27700 1 50 80196.7734375 . height 27700 1 50 479311.0625000 . volume 27700 1 51 86177.6875000 . height 27700 1 51 529208.0000000 . volume 27700 1 52 100450.4453120 . height 27700 1 52 605300.0546880 . volume 27700 1 53 344018.3750000 . height 27700 1 53 1905580.3515600 . volume 27700 1 54 350356.2500000 . height 27700 1 54 2000961.7812500 . volume 27700 1 55 117067.2343750 . height 27700 1 55 800256.0390620 . volume 27700 1 56 63977.1562500 . height 27700 1 56 392619.9453120 . volume 27700 1 57 357914.6875000 . height 27700 1 57 1993479.6484400 . volume 27700 1 58 60405.7031250 . height 27700 1 58 363595.8828120 . volume 27700 1 59 79109.1250000 . height 27700 1 59 529444.6640620 . volume 27700 1 60 108267.3671880 . height 27700 1 60 671304.9453120 . volume 27700 1 61 61724.5937500 . height 27700 1 61 425575.6093750 . volume 27700 1 62 70045.5468750 . height 27700 1 62 432220.4609380 . volume 27700 1 63 73536.6953125 . height 27700 1 63 460349.1953120 . volume 27700 1 64 41860.0000000 . height 27700 1 64 291368.6562500 . volume 27700 1 65 71681.1328125 . height 27700 1 65 452506.8437500 . volume 27700 1 66 67548.0546875 . height 27700 1 66 435035.7421880 . volume 27700 1 67 84582.3203125 . height 27700 1 67 528399.9062500 . volume 27700 1 68 81461.6250000 . height 27700 1 68 510357.9140620 . volume 27700 1 69 68193.9218750 . height 27700 1 69 454563.8281250 . volume 27700 1 70 78195.6953125 . height 27700 1 70 463451.1171880 . volume 27700 1 71 525738.0000000 . height 27700 1 71 3268802.6250000 . volume 27700 1 72 74153.2109375 . height 27700 1 72 474806.4687500 . volume 27700 1 73 72470.0546875 . height 27700 1 73 434444.4531250 . volume 27700 1 74 86359.2421875 . height 27700 1 74 544905.3281250 . volume 27700 1 75 73147.1093750 . height 27700 1 75 499510.2031250 . volume 27700 1 76 73959.9062500 . height 27700 1 76 475361.0937500 . volume 27700 1 77 102538.3437500 . height 27700 1 77 598391.6718750 . volume 27700 1 78 97609.7500000 . height 27700 1 78 647948.7890620 . volume 27700 1 79 71216.5546875 . height 27700 1 79 441414.9921880 . volume 27700 1 80 85249.3515625 . height 27700 1 80 522165.3046880 . volume 27700 1 81 56448.9609375 . height 27700 1 81 379520.0390620 . volume 27700 1 82 83006.3593750 . height 27700 1 82 514465.2812500 . volume 27700 1 83 347496.4062500 . height 27700 1 83 2071063.6015600 . volume 27700 1 84 264193.7812500 . height 27700 1 84 1517277.4531200 . volume 27700 1 85 310650.3750000 . height 27700 1 85 1805110.9296900 . volume 27700 1 86 151996.5312500 . height 27700 1 86 923803.9062500 . volume 27700 1 87 46795.4765625 . height 27700 1 87 292106.8828120 . volume 27700 1 88 58329.6640625 . height 27700 1 88 377153.0468750 . volume 27700 1 89 74107.8828125 . height 27700 1 89 471262.0546880 . volume 27700 1 90 76498.6250000 . height 27700 1 90 486291.7890620 . volume 27700 1 91 104832.2812500 . height 27700 1 91 663874.3125000 . volume 27700 1 92 61197.1953125 . height 27700 1 92 388127.5312500 . volume 27700 1 93 71323.4921875 . height 27700 1 93 453178.5468750 . volume 27700 1 94 49856.1328125 . height 27700 1 94 292413.5625000 . volume 27700 1 95 126183.5703120 . height 27700 1 95 798765.5234380 . volume 27700 1 96 96430.5000000 . height 27700 1 96 624006.5781250 . volume 27700 1 97 80902.5156250 . height 27700 1 97 518098.3593750 . volume 27700 1 98 301346.2500000 . height 27700 1 98 1806402.3593800 . volume 27700 1 99 42265.7734375 . height 27700 1 99 257323.6093750 . volume 27700 1 100 42081.4531250 . height 27700 1 100 261926.9218750 . volume 27700 1 101 376762.5000000 . height 27700 1 101 2107803.8593800 . volume 27700 1 102 380400.4375000 . height 27700 1 102 2248474.9531200 . volume 27700 1 103 118293.7968750 . height 27700 1 103 728369.2890620 . volume 27700 1 104 82262.5937500 . height 27700 1 104 495187.7421880 . volume 27700 1 105 60821.7968750 . height 27700 1 105 357837.7656250 . volume 27700 1 106 22611.1015625 . height 27700 1 106 234600.7578120 . volume 27700 1 107 31304.7031250 . height 27700 1 107 170440.4531250 . volume 27700 1 108 21536.9609375 . height 27700 1 108 136447.0937500 . volume 27700 1 109 26029.9062500 . height 27700 1 109 145903.0468750 . volume 27700 1 110 67974.0859375 . height 27700 1 110 457347.8437500 . volume 27700 1 111 343904.4375000 . height 27700 1 111 2592461.6953100 . volume 27700 1 112 56329.0312500 . height 27700 1 112 441663.4921880 . volume 27700 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 8.081 . 21.2406285289 . . . . . . . . . . . 27700 1 1 2 128.917 . 15.4780386721 . . . . . . . . . . . 27700 1 2 1 9.247 . 30.9343336195 . . . . . . . . . . . 27700 1 2 2 128.491 . 18.1194813341 . . . . . . . . . . . 27700 1 3 1 8.573 . 30.3295418257 . . . . . . . . . . . 27700 1 3 2 127.696 . 15.9898656582 . . . . . . . . . . . 27700 1 4 1 7.091 . 29.5969771176 . . . . . . . . . . . 27700 1 4 2 127.539 . 16.2265068450 . . . . . . . . . . . 27700 1 5 1 8.533 . 84.4911172441 . . . . . . . . . . . 27700 1 5 2 126.821 . 22.3105104224 . . . . . . . . . . . 27700 1 6 1 8.491 . 25.9314277550 . . . . . . . . . . . 27700 1 6 2 126.811 . 16.3195615999 . . . . . . . . . . . 27700 1 7 1 8.420 . 22.2365758041 . . . . . . . . . . . 27700 1 7 2 126.798 . 15.3306287800 . . . . . . . . . . . 27700 1 8 1 8.513 . 24.9618868821 . . . . . . . . . . . 27700 1 8 2 126.703 . 15.5014444489 . . . . . . . . . . . 27700 1 9 1 8.364 . 20.9929194392 . . . . . . . . . . . 27700 1 9 2 126.469 . 16.0719667162 . . . . . . . . . . . 27700 1 10 1 8.806 . 29.4755076672 . . . . . . . . . . . 27700 1 10 2 126.140 . 17.0698898345 . . . . . . . . . . . 27700 1 11 1 9.154 . 27.7444402256 . . . . . . . . . . . 27700 1 11 2 126.020 . 17.7122311519 . . . . . . . . . . . 27700 1 12 1 8.470 . 22.1174914481 . . . . . . . . . . . 27700 1 12 2 125.493 . 15.9276052586 . . . . . . . . . . . 27700 1 13 1 8.608 . 20.1458702000 . . . . . . . . . . . 27700 1 13 2 125.279 . 15.5996143735 . . . . . . . . . . . 27700 1 14 1 9.040 . 26.5178202492 . . . . . . . . . . . 27700 1 14 2 125.173 . 16.7998708733 . . . . . . . . . . . 27700 1 15 1 8.198 . 21.4672124967 . . . . . . . . . . . 27700 1 15 2 125.094 . 15.6724667913 . . . . . . . . . . . 27700 1 16 1 7.180 . 25.3058515671 . . . . . . . . . . . 27700 1 16 2 125.092 . 15.2766869898 . . . . . . . . . . . 27700 1 17 1 8.989 . 26.2709629790 . . . . . . . . . . . 27700 1 17 2 125.026 . 15.6640965135 . . . . . . . . . . . 27700 1 18 1 8.390 . 23.1325194785 . . . . . . . . . . . 27700 1 18 2 124.462 . 15.8785202963 . . . . . . . . . . . 27700 1 19 1 8.430 . 23.8378259649 . . . . . . . . . . . 27700 1 19 2 124.102 . 14.5906342217 . . . . . . . . . . . 27700 1 20 1 8.527 . 23.8243672179 . . . . . . . . . . . 27700 1 20 2 124.075 . 16.6539593642 . . . . . . . . . . . 27700 1 21 1 8.333 . 44.4808179831 . . . . . . . . . . . 27700 1 21 2 124.029 . 15.8037044800 . . . . . . . . . . . 27700 1 22 1 8.305 . 46.8776674896 . . . . . . . . . . . 27700 1 22 2 123.983 . 17.6521924928 . . . . . . . . . . . 27700 1 23 1 8.435 . 21.6326358297 . . . . . . . . . . . 27700 1 23 2 123.815 . 16.3118113426 . . . . . . . . . . . 27700 1 24 1 8.097 . 24.0935421572 . . . . . . . . . . . 27700 1 24 2 123.838 . 15.2019745103 . . . . . . . . . . . 27700 1 25 1 8.366 . 28.4529836258 . . . . . . . . . . . 27700 1 25 2 123.697 . 20.0548755643 . . . . . . . . . . . 27700 1 26 1 8.286 . 21.3348397576 . . . . . . . . . . . 27700 1 26 2 123.693 . 15.6581029813 . . . . . . . . . . . 27700 1 27 1 8.194 . 20.9762237784 . . . . . . . . . . . 27700 1 27 2 123.625 . 17.0153280237 . . . . . . . . . . . 27700 1 28 1 8.447 . 22.5883772279 . . . . . . . . . . . 27700 1 28 2 123.493 . 15.3599764206 . . . . . . . . . . . 27700 1 29 1 8.331 . 22.1667266110 . . . . . . . . . . . 27700 1 29 2 123.477 . 21.5831229492 . . . . . . . . . . . 27700 1 30 1 8.308 . 22.4120506063 . . . . . . . . . . . 27700 1 30 2 123.279 . 17.4760033122 . . . . . . . . . . . 27700 1 31 1 8.430 . 20.4949458016 . . . . . . . . . . . 27700 1 31 2 123.134 . 16.9847403419 . . . . . . . . . . . 27700 1 32 1 8.466 . 71.9387061531 . . . . . . . . . . . 27700 1 32 2 123.077 . 19.0532323226 . . . . . . . . . . . 27700 1 33 1 8.414 . 20.2576289090 . . . . . . . . . . . 27700 1 33 2 122.922 . 16.8350053726 . . . . . . . . . . . 27700 1 34 1 8.977 . 25.6808224793 . . . . . . . . . . . 27700 1 34 2 122.480 . 15.9263652175 . . . . . . . . . . . 27700 1 35 1 9.088 . 25.2682011484 . . . . . . . . . . . 27700 1 35 2 122.308 . 16.5221016549 . . . . . . . . . . . 27700 1 36 1 8.545 . 27.6832795906 . . . . . . . . . . . 27700 1 36 2 122.197 . 17.0081977871 . . . . . . . . . . . 27700 1 37 1 7.612 . 24.9559241461 . . . . . . . . . . . 27700 1 37 2 122.083 . 16.1338654371 . . . . . . . . . . . 27700 1 38 1 8.778 . 27.1261896847 . . . . . . . . . . . 27700 1 38 2 121.940 . 15.6298920450 . . . . . . . . . . . 27700 1 39 1 8.314 . 32.8860222930 . . . . . . . . . . . 27700 1 39 2 121.949 . 17.2668497043 . . . . . . . . . . . 27700 1 40 1 8.193 . 25.3797894934 . . . . . . . . . . . 27700 1 40 2 121.959 . 15.8898873402 . . . . . . . . . . . 27700 1 41 1 9.395 . 28.8593014929 . . . . . . . . . . . 27700 1 41 2 121.673 . 16.2098179578 . . . . . . . . . . . 27700 1 42 1 8.380 . 21.4363766334 . . . . . . . . . . . 27700 1 42 2 121.624 . 15.6465292638 . . . . . . . . . . . 27700 1 43 1 8.218 . 27.6062751143 . . . . . . . . . . . 27700 1 43 2 121.670 . 18.0628527881 . . . . . . . . . . . 27700 1 44 1 8.813 . 26.1629522755 . . . . . . . . . . . 27700 1 44 2 121.373 . 16.6444523821 . . . . . . . . . . . 27700 1 45 1 7.435 . 26.7225976397 . . . . . . . . . . . 27700 1 45 2 121.357 . 16.0648364796 . . . . . . . . . . . 27700 1 46 1 7.900 . 27.3389741778 . . . . . . . . . . . 27700 1 46 2 121.156 . 16.9951773550 . . . . . . . . . . . 27700 1 47 1 8.629 . 28.2236738358 . . . . . . . . . . . 27700 1 47 2 121.096 . 16.6282285103 . . . . . . . . . . . 27700 1 48 1 8.445 . 25.6661711851 . . . . . . . . . . . 27700 1 48 2 121.010 . 18.6021673531 . . . . . . . . . . . 27700 1 49 1 8.178 . 19.8044609733 . . . . . . . . . . . 27700 1 49 2 121.035 . 15.1144482722 . . . . . . . . . . . 27700 1 50 1 7.969 . 26.3667074827 . . . . . . . . . . . 27700 1 50 2 121.019 . 15.8766602346 . . . . . . . . . . . 27700 1 51 1 7.872 . 26.4973765830 . . . . . . . . . . . 27700 1 51 2 120.644 . 16.1435790928 . . . . . . . . . . . 27700 1 52 1 7.368 . 25.3716120269 . . . . . . . . . . . 27700 1 52 2 120.675 . 16.0914973644 . . . . . . . . . . . 27700 1 53 1 8.465 . 20.2859093140 . . . . . . . . . . . 27700 1 53 2 120.519 . 14.9191417906 . . . . . . . . . . . 27700 1 54 1 8.390 . 22.0479829827 . . . . . . . . . . . 27700 1 54 2 120.521 . 15.2695567532 . . . . . . . . . . . 27700 1 55 1 8.507 . 30.0629223447 . . . . . . . . . . . 27700 1 55 2 120.488 . 19.5290981153 . . . . . . . . . . . 27700 1 56 1 7.745 . 26.0581784859 . . . . . . . . . . . 27700 1 56 2 120.444 . 16.6196515590 . . . . . . . . . . . 27700 1 57 1 8.079 . 21.6677307901 . . . . . . . . . . . 27700 1 57 2 120.390 . 14.6325889474 . . . . . . . . . . . 27700 1 58 1 9.317 . 27.4072900960 . . . . . . . . . . . 27700 1 58 2 120.235 . 15.9311187085 . . . . . . . . . . . 27700 1 59 1 8.532 . 34.6653027142 . . . . . . . . . . . 27700 1 59 2 120.269 . 29.2444072054 . . . . . . . . . . . 27700 1 60 1 8.591 . 24.9254290105 . . . . . . . . . . . 27700 1 60 2 120.178 . 17.1608261857 . . . . . . . . . . . 27700 1 61 1 8.330 . 28.1442842651 . . . . . . . . . . . 27700 1 61 2 120.181 . 20.3825564391 . . . . . . . . . . . 27700 1 62 1 8.837 . 27.0992721908 . . . . . . . . . . . 27700 1 62 2 120.009 . 16.0252584994 . . . . . . . . . . . 27700 1 63 1 8.037 . 25.2121514300 . . . . . . . . . . . 27700 1 63 2 120.055 . 16.1671398747 . . . . . . . . . . . 27700 1 64 1 8.413 . 28.2621760739 . . . . . . . . . . . 27700 1 64 2 119.995 . 19.1806465511 . . . . . . . . . . . 27700 1 65 1 7.727 . 28.6599757468 . . . . . . . . . . . 27700 1 65 2 119.956 . 17.1475990801 . . . . . . . . . . . 27700 1 66 1 9.104 . 29.0288135591 . . . . . . . . . . . 27700 1 66 2 119.848 . 16.8842970085 . . . . . . . . . . . 27700 1 67 1 8.204 . 25.0911930712 . . . . . . . . . . . 27700 1 67 2 119.567 . 17.3207914945 . . . . . . . . . . . 27700 1 68 1 8.650 . 27.1393077039 . . . . . . . . . . . 27700 1 68 2 119.132 . 16.5021576597 . . . . . . . . . . . 27700 1 69 1 8.253 . 26.5351973656 . . . . . . . . . . . 27700 1 69 2 119.133 . 19.2689994833 . . . . . . . . . . . 27700 1 70 1 8.808 . 27.1744026643 . . . . . . . . . . . 27700 1 70 2 119.051 . 15.3587363795 . . . . . . . . . . . 27700 1 71 1 8.349 . 21.8205471955 . . . . . . . . . . . 27700 1 71 2 118.797 . 18.4431320751 . . . . . . . . . . . 27700 1 72 1 8.155 . 27.5906016369 . . . . . . . . . . . 27700 1 72 2 118.918 . 17.5583627121 . . . . . . . . . . . 27700 1 73 1 7.571 . 27.7928235691 . . . . . . . . . . . 27700 1 73 2 118.916 . 15.4539095380 . . . . . . . . . . . 27700 1 74 1 8.284 . 26.7967059300 . . . . . . . . . . . 27700 1 74 2 118.865 . 16.3924140176 . . . . . . . . . . . 27700 1 75 1 8.291 . 25.9808332818 . . . . . . . . . . . 27700 1 75 2 118.576 . 19.3943469766 . . . . . . . . . . . 27700 1 76 1 8.231 . 25.4978516662 . . . . . . . . . . . 27700 1 76 2 118.402 . 17.9827667969 . . . . . . . . . . . 27700 1 77 1 7.473 . 25.4213582815 . . . . . . . . . . . 27700 1 77 2 117.845 . 15.2066246646 . . . . . . . . . . . 27700 1 78 1 8.410 . 27.5698172428 . . . . . . . . . . . 27700 1 78 2 117.747 . 17.9343018552 . . . . . . . . . . . 27700 1 79 1 7.238 . 28.1127669462 . . . . . . . . . . . 27700 1 79 2 117.757 . 16.2168448576 . . . . . . . . . . . 27700 1 80 1 8.582 . 26.0080915035 . . . . . . . . . . . 27700 1 80 2 117.654 . 16.3414689936 . . . . . . . . . . . 27700 1 81 1 8.333 . 29.7857403028 . . . . . . . . . . . 27700 1 81 2 117.434 . 18.8008839479 . . . . . . . . . . . 27700 1 82 1 7.428 . 26.0339868141 . . . . . . . . . . . 27700 1 82 2 117.249 . 16.0331120934 . . . . . . . . . . . 27700 1 83 1 8.215 . 22.4597524942 . . . . . . . . . . . 27700 1 83 2 116.985 . 15.6201783893 . . . . . . . . . . . 27700 1 84 1 8.425 . 22.5991101527 . . . . . . . . . . . 27700 1 84 2 116.582 . 15.3688633822 . . . . . . . . . . . 27700 1 85 1 8.367 . 22.5100098405 . . . . . . . . . . . 27700 1 85 2 116.456 . 15.3081013657 . . . . . . . . . . . 27700 1 86 1 8.125 . 25.5174435130 . . . . . . . . . . . 27700 1 86 2 116.348 . 16.3995442543 . . . . . . . . . . . 27700 1 87 1 8.003 . 29.2806113820 . . . . . . . . . . . 27700 1 87 2 115.676 . 16.7074878074 . . . . . . . . . . . 27700 1 88 1 8.702 . 29.7606968116 . . . . . . . . . . . 27700 1 88 2 115.014 . 17.2183847626 . . . . . . . . . . . 27700 1 89 1 7.753 . 29.3008846844 . . . . . . . . . . . 27700 1 89 2 114.500 . 16.4146314216 . . . . . . . . . . . 27700 1 90 1 7.937 . 25.3024442894 . . . . . . . . . . . 27700 1 90 2 114.441 . 16.5882371831 . . . . . . . . . . . 27700 1 91 1 7.684 . 24.0751428575 . . . . . . . . . . . 27700 1 91 2 114.239 . 18.4848801273 . . . . . . . . . . . 27700 1 92 1 8.625 . 29.7276462178 . . . . . . . . . . . 27700 1 92 2 113.504 . 16.8424456196 . . . . . . . . . . . 27700 1 93 1 7.811 . 24.1204596511 . . . . . . . . . . . 27700 1 93 2 113.519 . 16.6626396523 . . . . . . . . . . . 27700 1 94 1 7.689 . 19.6879320755 . . . . . . . . . . . 27700 1 94 2 113.318 . 17.2698464704 . . . . . . . . . . . 27700 1 95 1 8.681 . 26.8520741928 . . . . . . . . . . . 27700 1 95 2 112.679 . 16.2184982459 . . . . . . . . . . . 27700 1 96 1 8.045 . 26.9549739797 . . . . . . . . . . . 27700 1 96 2 111.910 . 17.1332352700 . . . . . . . . . . . 27700 1 97 1 7.308 . 24.5831679644 . . . . . . . . . . . 27700 1 97 2 111.416 . 17.1348886582 . . . . . . . . . . . 27700 1 98 1 8.382 . 23.4742694330 . . . . . . . . . . . 27700 1 98 2 110.156 . 15.6563462563 . . . . . . . . . . . 27700 1 99 1 8.076 . 27.9793720238 . . . . . . . . . . . 27700 1 99 2 109.994 . 16.1352088150 . . . . . . . . . . . 27700 1 100 1 8.443 . 31.4972158976 . . . . . . . . . . . 27700 1 100 2 109.830 . 16.0684532663 . . . . . . . . . . . 27700 1 101 1 8.486 . 23.2575665705 . . . . . . . . . . . 27700 1 101 2 109.476 . 14.5715169206 . . . . . . . . . . . 27700 1 102 1 8.313 . 21.6764193483 . . . . . . . . . . . 27700 1 102 2 109.381 . 15.6026111396 . . . . . . . . . . . 27700 1 103 1 8.217 . 25.9557897906 . . . . . . . . . . . 27700 1 103 2 108.086 . 16.5262351254 . . . . . . . . . . . 27700 1 104 1 7.491 . 26.3011173868 . . . . . . . . . . . 27700 1 104 2 105.035 . 15.8543394938 . . . . . . . . . . . 27700 1 105 1 7.025 . 27.6156451281 . . . . . . . . . . . 27700 1 105 2 104.629 . 15.2148916057 . . . . . . . . . . . 27700 1 106 1 10.500 . 25.5170601943 . . . . . . . . . . . 27700 1 106 2 132.810 . 25.4440427488 . . . . . . . . . . . 27700 1 107 1 8.189 . 17.1132226724 . . . . . . . . . . . 27700 1 107 2 122.341 . 14.9853806555 . . . . . . . . . . . 27700 1 108 1 6.740 . 25.9501677824 . . . . . . . . . . . 27700 1 108 2 117.562 . 17.8481189950 . . . . . . . . . . . 27700 1 109 1 8.043 . 20.2905091389 . . . . . . . . . . . 27700 1 109 2 117.064 . 15.1481360569 . . . . . . . . . . . 27700 1 110 1 7.672 . 26.6033429198 . . . . . . . . . . . 27700 1 110 2 114.407 . 18.1161745577 . . . . . . . . . . . 27700 1 111 1 8.349 . 22.1060770677 . . . . . . . . . . . 27700 1 111 2 119.020 . 23.7065900877 . . . . . . . . . . . 27700 1 112 1 8.362 . 46.1461249648 . . . . . . . . . . . 27700 1 112 2 110.238 . 20.6332514256 . . . . . . . . . . . 27700 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 2 . . 8.081 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 1 1 2 1 . . 128.917 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 1 2 1 1 . . 9.247 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 1 2 2 1 . . 128.491 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 1 3 1 1 . . 8.573 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 1 3 2 1 . . 127.696 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 1 4 1 1 . . 7.091 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 1 4 2 1 . . 127.539 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 1 5 1 1 . . 8.533 . . 1 . . . . . . . . . . . . . . . . 87 . 27700 1 5 2 1 . . 126.821 . . 1 . . . . . . . . . . . . . . . . 88 . 27700 1 6 1 1 . . 8.491 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 1 6 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 1 7 1 1 . . 8.420 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 1 7 2 1 . . 126.798 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 1 8 1 1 . . 8.513 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 1 8 2 1 . . 126.703 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 1 9 1 1 . . 8.364 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 1 9 2 1 . . 126.469 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 1 10 1 1 . . 8.806 . . 1 . 1 1 110 ALA H . . . . . . . . . . 41 . 27700 1 10 2 1 . . 126.140 . . 1 . 1 1 110 ALA N . . . . . . . . . . 42 . 27700 1 11 1 1 . . 9.154 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 1 11 2 1 . . 126.020 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 1 12 1 1 . . 8.470 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 1 12 2 1 . . 125.493 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 1 13 1 1 . . 8.608 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 1 13 2 1 . . 125.279 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 1 14 1 1 . . 9.040 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 1 14 2 1 . . 125.173 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 1 15 1 1 . . 8.198 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 1 15 2 1 . . 125.094 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 1 16 1 1 . . 7.180 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 1 16 2 1 . . 125.092 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 1 17 1 1 . . 8.989 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 1 17 2 1 . . 125.026 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 1 18 1 1 . . 8.390 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 1 18 2 1 . . 124.462 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 1 19 1 1 . . 8.430 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 1 19 2 1 . . 124.102 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 1 20 1 1 . . 8.527 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 1 20 2 1 . . 124.075 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 1 21 1 1 . . 8.333 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 1 21 2 1 . . 124.029 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 1 22 1 1 . . 8.305 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 1 22 2 1 . . 123.983 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 1 23 1 1 . . 8.435 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 1 23 2 1 . . 123.815 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 1 24 1 1 . . 8.097 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 1 24 2 1 . . 123.838 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 1 25 1 1 . . 8.366 . . 1 . 1 1 52 VAL H . . . . . . . . . . 75 . 27700 1 25 2 1 . . 123.697 . . 1 . 1 1 52 VAL N . . . . . . . . . . 76 . 27700 1 26 1 1 . . 8.286 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 1 26 2 1 . . 123.693 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 1 27 1 1 . . 8.194 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 1 27 2 1 . . 123.625 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 1 28 1 1 . . 8.447 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 1 28 2 1 . . 123.493 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 1 29 1 1 . . 8.331 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 1 29 2 1 . . 123.477 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 1 30 1 1 . . 8.308 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 1 30 2 1 . . 123.279 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 1 31 1 1 . . 8.430 . . 1 . 1 1 7 GLU H . . . . . . . . . . 125 . 27700 1 31 2 1 . . 123.134 . . 1 . 1 1 7 GLU N . . . . . . . . . . 126 . 27700 1 32 1 1 . . 8.466 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 1 32 2 1 . . 123.077 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 1 33 1 1 . . 8.414 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 1 33 2 1 . . 122.922 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 1 34 1 1 . . 8.977 . . 1 . 1 1 86 ARG H . . . . . . . . . . 147 . 27700 1 34 2 1 . . 122.480 . . 1 . 1 1 86 ARG N . . . . . . . . . . 148 . 27700 1 35 1 1 . . 9.088 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 1 35 2 1 . . 122.308 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 1 36 1 1 . . 8.545 . . 1 . 1 1 93 ILE H . . . . . . . . . . 173 . 27700 1 36 2 1 . . 122.197 . . 1 . 1 1 93 ILE N . . . . . . . . . . 174 . 27700 1 37 1 1 . . 7.612 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 1 37 2 1 . . 122.083 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 1 38 1 1 . . 8.778 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 1 38 2 1 . . 121.940 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 1 39 1 1 . . 8.314 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 1 39 2 1 . . 121.949 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 1 40 1 1 . . 8.193 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 1 40 2 1 . . 121.959 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 1 41 1 1 . . 9.395 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 1 41 2 1 . . 121.673 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 1 42 1 1 . . 8.380 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 1 42 2 1 . . 121.624 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 1 43 1 1 . . 8.218 . . 1 . 1 1 47 LYS H . . . . . . . . . . 127 . 27700 1 43 2 1 . . 121.670 . . 1 . 1 1 47 LYS N . . . . . . . . . . 128 . 27700 1 44 1 1 . . 8.813 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 1 44 2 1 . . 121.373 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 1 45 1 1 . . 7.435 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 1 45 2 1 . . 121.357 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 1 46 1 1 . . 7.900 . . 1 . 1 1 50 GLN H . . . . . . . . . . 159 . 27700 1 46 2 1 . . 121.156 . . 1 . 1 1 50 GLN N . . . . . . . . . . 160 . 27700 1 47 1 1 . . 8.629 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 1 47 2 1 . . 121.096 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 1 48 1 1 . . 8.445 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 1 48 2 1 . . 121.010 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 1 49 1 1 . . 8.178 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 1 49 2 1 . . 121.035 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 1 50 1 1 . . 7.969 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 1 50 2 1 . . 121.019 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 1 51 1 1 . . 7.872 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 1 51 2 1 . . 120.644 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 1 52 1 1 . . 7.368 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 1 52 2 1 . . 120.675 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 1 53 1 1 . . 8.465 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 1 53 2 1 . . 120.519 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 1 54 1 1 . . 8.390 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 1 54 2 1 . . 120.521 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 1 55 1 1 . . 8.507 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 1 55 2 1 . . 120.488 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 1 56 1 1 . . 7.745 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 1 56 2 1 . . 120.444 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 1 57 1 1 . . 8.079 . . 1 . 1 1 17 MET H . . . . . . . . . . 145 . 27700 1 57 2 1 . . 120.390 . . 1 . 1 1 17 MET N . . . . . . . . . . 146 . 27700 1 58 1 1 . . 9.317 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 1 58 2 1 . . 120.235 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 1 59 1 1 . . 8.532 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 1 59 2 1 . . 120.269 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 1 60 1 1 . . 8.591 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 1 60 2 1 . . 120.178 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 1 61 1 1 . . 8.330 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 1 61 2 1 . . 120.181 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 1 62 1 1 . . 8.837 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 1 62 2 1 . . 120.009 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 1 63 1 1 . . 8.037 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 1 63 2 1 . . 120.055 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 1 64 1 1 . . 8.413 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 1 64 2 1 . . 119.995 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 1 65 1 1 . . 7.727 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 1 65 2 1 . . 119.956 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 1 66 1 1 . . 9.104 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 1 66 2 1 . . 119.848 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 1 67 1 1 . . 8.204 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 1 67 2 1 . . 119.567 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 1 68 1 1 . . 8.650 . . 1 . 1 1 61 GLU H . . . . . . . . . . 37 . 27700 1 68 2 1 . . 119.132 . . 1 . 1 1 61 GLU N . . . . . . . . . . 38 . 27700 1 69 1 1 . . 8.253 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 1 69 2 1 . . 119.133 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 1 70 1 1 . . 8.808 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 1 70 2 1 . . 119.051 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 1 71 1 1 . . 8.349 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 1 71 2 1 . . 118.797 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 1 72 1 1 . . 8.155 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 1 72 2 1 . . 118.918 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 1 73 1 1 . . 7.571 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 1 73 2 1 . . 118.916 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 1 74 1 1 . . 8.284 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 1 74 2 1 . . 118.865 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 1 75 1 1 . . 8.291 . . 1 . 1 1 92 SER H . . . . . . . . . . 81 . 27700 1 75 2 1 . . 118.576 . . 1 . 1 1 92 SER N . . . . . . . . . . 82 . 27700 1 76 1 1 . . 8.231 . . 1 . 1 1 49 SER H . . . . . . . . . . 93 . 27700 1 76 2 1 . . 118.402 . . 1 . 1 1 49 SER N . . . . . . . . . . 94 . 27700 1 77 1 1 . . 7.473 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 1 77 2 1 . . 117.845 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 1 78 1 1 . . 8.410 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 1 78 2 1 . . 117.747 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 1 79 1 1 . . 7.238 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 1 79 2 1 . . 117.757 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 1 80 1 1 . . 8.582 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 1 80 2 1 . . 117.654 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 1 81 1 1 . . 8.333 . . 1 . 1 1 55 THR H . . . . . . . . . . 47 . 27700 1 81 2 1 . . 117.434 . . 1 . 1 1 55 THR N . . . . . . . . . . 48 . 27700 1 82 1 1 . . 7.428 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 1 82 2 1 . . 117.249 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 1 83 1 1 . . 8.215 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 1 83 2 1 . . 116.985 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 1 84 1 1 . . 8.425 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 1 84 2 1 . . 116.582 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 1 85 1 1 . . 8.367 . . 1 . 1 1 27 SER H . . . . . . . . . . 213 . 27700 1 85 2 1 . . 116.456 . . 1 . 1 1 27 SER N . . . . . . . . . . 214 . 27700 1 86 1 1 . . 8.125 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 1 86 2 1 . . 116.348 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 1 87 1 1 . . 8.003 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 1 87 2 1 . . 115.676 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 1 88 1 1 . . 8.702 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 1 88 2 1 . . 115.014 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 1 89 1 1 . . 7.753 . . 1 . 1 1 113 SER H . . . . . . . . . . 23 . 27700 1 89 2 1 . . 114.500 . . 1 . 1 1 113 SER N . . . . . . . . . . 24 . 27700 1 90 1 1 . . 7.937 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 1 90 2 1 . . 114.441 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 1 91 1 1 . . 7.684 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 1 91 2 1 . . 114.239 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 1 92 1 1 . . 8.625 . . 1 . 1 1 65 SER H . . . . . . . . . . 89 . 27700 1 92 2 1 . . 113.504 . . 1 . 1 1 65 SER N . . . . . . . . . . 90 . 27700 1 93 1 1 . . 7.811 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 1 93 2 1 . . 113.519 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 1 94 1 1 . . 7.689 . . 1 . . . . . . . . . . . . . . . . 51 . 27700 1 94 2 1 . . 113.318 . . 1 . . . . . . . . . . . . . . . . 52 . 27700 1 95 1 1 . . 8.681 . . 1 . 1 1 109 GLY H . . . . . . . . . . 209 . 27700 1 95 2 1 . . 112.679 . . 1 . 1 1 109 GLY N . . . . . . . . . . 210 . 27700 1 96 1 1 . . 8.045 . . 1 . 1 1 108 THR H . . . . . . . . . . 85 . 27700 1 96 2 1 . . 111.910 . . 1 . 1 1 108 THR N . . . . . . . . . . 86 . 27700 1 97 1 1 . . 7.308 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 1 97 2 1 . . 111.416 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 1 98 1 1 . . 8.382 . . 1 . 1 1 16 GLY H . . . . . . . . . . 217 . 27700 1 98 2 1 . . 110.156 . . 1 . 1 1 16 GLY N . . . . . . . . . . 218 . 27700 1 99 1 1 . . 8.076 . . 1 . 1 1 85 GLY H . . . . . . . . . . 109 . 27700 1 99 2 1 . . 109.994 . . 1 . 1 1 85 GLY N . . . . . . . . . . 110 . 27700 1 100 1 1 . . 8.443 . . 1 . 1 1 46 GLY H . . . . . . . . . . 157 . 27700 1 100 2 1 . . 109.830 . . 1 . 1 1 46 GLY N . . . . . . . . . . 158 . 27700 1 101 1 1 . . 8.486 . . 1 . 1 1 25 GLY H . . . . . . . . . . 199 . 27700 1 101 2 1 . . 109.476 . . 1 . 1 1 25 GLY N . . . . . . . . . . 200 . 27700 1 102 1 1 . . 8.313 . . 1 . 1 1 26 GLY H . . . . . . . . . . 53 . 27700 1 102 2 1 . . 109.381 . . 1 . 1 1 26 GLY N . . . . . . . . . . 54 . 27700 1 103 1 1 . . 8.217 . . 1 . 1 1 112 GLY H . . . . . . . . . . 97 . 27700 1 103 2 1 . . 108.086 . . 1 . 1 1 112 GLY N . . . . . . . . . . 98 . 27700 1 104 1 1 . . 7.491 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 1 104 2 1 . . 105.035 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 1 105 1 1 . . 7.025 . . 1 . 1 1 64 GLY H . . . . . . . . . . 191 . 27700 1 105 2 1 . . 104.629 . . 1 . 1 1 64 GLY N . . . . . . . . . . 192 . 27700 1 106 1 1 . . 10.500 . . 1 . . . . . . . . . . . . . . . . 201 . 27700 1 106 2 1 . . 132.810 . . 1 . . . . . . . . . . . . . . . . 202 . 27700 1 107 1 1 . . 8.189 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 1 107 2 1 . . 122.341 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 1 108 1 1 . . 6.740 . . 1 . 1 1 76 LYS H . . . . . . . . . . 205 . 27700 1 108 2 1 . . 117.562 . . 1 . 1 1 76 LYS N . . . . . . . . . . 206 . 27700 1 109 1 1 . . 8.043 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 1 109 2 1 . . 117.064 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 1 110 1 2 . . 7.672 . . 1 . . . . . . . . . . . . . . . . 291 . 27700 1 110 2 1 . . 114.407 . . 1 . . . . . . . . . . . . . . . . 290 . 27700 1 111 1 1 . . 8.349 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 1 111 2 1 . . 119.020 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 1 112 1 1 . . 8.362 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 1 112 2 1 . . 110.238 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 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 27700 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $CondSet4 _Spectral_peak_list.Experiment_ID 2 _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 . . 5180.54496951 . . . . . . . 27700 2 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 2 3 . . C 13 13C . . 3584.22939068 . . . . . . . 27700 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27700 2 2 1.0 . . 27700 2 3 1.0 . . 27700 2 4 1.0 . . 27700 2 5 1.0 . . 27700 2 6 1.0 . . 27700 2 7 1.0 . . 27700 2 8 1.0 . . 27700 2 9 1.0 . . 27700 2 10 1.0 . . 27700 2 11 1.0 . . 27700 2 12 1.0 . . 27700 2 13 1.0 . . 27700 2 14 1.0 . . 27700 2 15 1.0 . . 27700 2 16 1.0 . . 27700 2 17 1.0 . . 27700 2 18 1.0 . . 27700 2 19 1.0 . . 27700 2 20 1.0 . . 27700 2 21 1.0 . . 27700 2 22 1.0 . . 27700 2 23 1.0 . . 27700 2 24 1.0 . . 27700 2 25 1.0 . . 27700 2 26 1.0 . . 27700 2 27 1.0 . . 27700 2 28 1.0 . . 27700 2 29 1.0 . . 27700 2 30 1.0 . . 27700 2 31 1.0 . . 27700 2 32 1.0 . . 27700 2 33 1.0 . . 27700 2 34 1.0 . . 27700 2 35 1.0 . . 27700 2 36 1.0 . . 27700 2 37 1.0 . . 27700 2 38 1.0 . . 27700 2 39 1.0 . . 27700 2 40 1.0 . . 27700 2 41 1.0 . . 27700 2 42 1.0 . . 27700 2 43 1.0 . . 27700 2 44 1.0 . . 27700 2 45 1.0 . . 27700 2 46 1.0 . . 27700 2 47 1.0 . . 27700 2 48 1.0 . . 27700 2 49 1.0 . . 27700 2 50 1.0 . . 27700 2 51 1.0 . . 27700 2 52 1.0 . . 27700 2 53 1.0 . . 27700 2 54 1.0 . . 27700 2 55 1.0 . . 27700 2 56 1.0 . . 27700 2 57 1.0 . . 27700 2 58 1.0 . . 27700 2 59 1.0 . . 27700 2 60 1.0 . . 27700 2 61 1.0 . . 27700 2 62 1.0 . . 27700 2 63 1.0 . . 27700 2 64 1.0 . . 27700 2 65 1.0 . . 27700 2 66 1.0 . . 27700 2 67 1.0 . . 27700 2 68 1.0 . . 27700 2 69 1.0 . . 27700 2 70 1.0 . . 27700 2 71 1.0 . . 27700 2 72 1.0 . . 27700 2 73 1.0 . . 27700 2 74 1.0 . . 27700 2 75 1.0 . . 27700 2 76 1.0 . . 27700 2 77 1.0 . . 27700 2 78 1.0 . . 27700 2 79 1.0 . . 27700 2 80 1.0 . . 27700 2 81 1.0 . . 27700 2 82 1.0 . . 27700 2 83 1.0 . . 27700 2 84 1.0 . . 27700 2 85 1.0 . . 27700 2 86 1.0 . . 27700 2 87 1.0 . . 27700 2 88 1.0 . . 27700 2 89 1.0 . . 27700 2 90 1.0 . . 27700 2 91 1.0 . . 27700 2 92 1.0 . . 27700 2 93 1.0 . . 27700 2 94 1.0 . . 27700 2 95 1.0 . . 27700 2 96 1.0 . . 27700 2 97 1.0 . . 27700 2 98 1.0 . . 27700 2 99 1.0 . . 27700 2 100 1.0 . . 27700 2 101 1.0 . . 27700 2 102 1.0 . . 27700 2 103 1.0 . . 27700 2 104 1.0 . . 27700 2 105 1.0 . . 27700 2 106 1.0 . . 27700 2 107 1.0 . . 27700 2 108 1.0 . . 27700 2 109 1.0 . . 27700 2 110 1.0 . . 27700 2 111 1.0 . . 27700 2 112 1.0 . . 27700 2 113 1.0 . . 27700 2 114 1.0 . . 27700 2 115 1.0 . . 27700 2 116 1.0 . . 27700 2 117 1.0 . . 27700 2 118 1.0 . . 27700 2 119 1.0 . . 27700 2 120 1.0 . . 27700 2 121 1.0 . . 27700 2 122 1.0 . . 27700 2 123 1.0 . . 27700 2 124 1.0 . . 27700 2 125 1.0 . . 27700 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 213887.5000 . height 27700 2 1 3138763.6875 . volume 27700 2 2 351334.8125 . height 27700 2 2 4837745.6250 . volume 27700 2 3 337121.8125 . height 27700 2 3 4832579.2500 . volume 27700 2 4 514518.0625 . height 27700 2 4 6913501.5000 . volume 27700 2 5 1312440.7500 . height 27700 2 5 17732187.3125 . volume 27700 2 6 3504734.0000 . height 27700 2 6 39180890.8750 . volume 27700 2 7 554752.5000 . height 27700 2 7 7579006.3750 . volume 27700 2 8 341709.1875 . height 27700 2 8 4811707.5000 . volume 27700 2 9 208881.1875 . height 27700 2 9 3007632.4375 . volume 27700 2 10 356125.0625 . height 27700 2 10 4931331.8125 . volume 27700 2 11 3790518.5000 . height 27700 2 11 40719903.1875 . volume 27700 2 12 9795.7500 . height 27700 2 12 46.9375 . volume 27700 2 13 548516.0000 . height 27700 2 13 6630499.1250 . volume 27700 2 14 554664.1875 . height 27700 2 14 6733500.9375 . volume 27700 2 15 399572.1875 . height 27700 2 15 5556667.8750 . volume 27700 2 16 473421.6875 . height 27700 2 16 6196632.6250 . volume 27700 2 17 2087323.7500 . height 27700 2 17 25969790.8125 . volume 27700 2 18 3227010.7500 . height 27700 2 18 34101412.7500 . volume 27700 2 19 427690.9375 . height 27700 2 19 5489588.8125 . volume 27700 2 20 41473.2500 . height 27700 2 20 809915.5000 . volume 27700 2 21 413272.1250 . height 27700 2 21 5718542.8750 . volume 27700 2 22 3651839.2500 . height 27700 2 22 41250998.7500 . volume 27700 2 23 269590.0625 . height 27700 2 23 3616455.7500 . volume 27700 2 24 740106.9375 . height 27700 2 24 8852897.5000 . volume 27700 2 25 -8859.3125 . height 27700 2 25 -17685.3125 . volume 27700 2 26 439678.6875 . height 27700 2 26 5374028.0000 . volume 27700 2 27 -24757.0000 . height 27700 2 27 -118022.0000 . volume 27700 2 28 288456.2500 . height 27700 2 28 4111438.3750 . volume 27700 2 29 414146.8750 . height 27700 2 29 5652627.1875 . volume 27700 2 30 146469.5000 . height 27700 2 30 2098552.8125 . volume 27700 2 31 4279248.0000 . height 27700 2 31 45420376.8125 . volume 27700 2 32 478860.6250 . height 27700 2 32 6422041.2500 . volume 27700 2 33 4639106.5000 . height 27700 2 33 49149121.7500 . volume 27700 2 34 7067.4375 . height 27700 2 34 -68429.0625 . volume 27700 2 35 2935819.2500 . height 27700 2 35 36335546.4375 . volume 27700 2 36 467202.8750 . height 27700 2 36 6272254.6250 . volume 27700 2 37 1554233.7500 . height 27700 2 37 20195828.8750 . volume 27700 2 38 4500975.0000 . height 27700 2 38 48076239.5000 . volume 27700 2 39 319056.7500 . height 27700 2 39 4169769.9375 . volume 27700 2 40 328975.3125 . height 27700 2 40 4694982.8125 . volume 27700 2 41 177574.5625 . height 27700 2 41 2430021.1250 . volume 27700 2 42 306992.3750 . height 27700 2 42 4305083.2500 . volume 27700 2 43 4144197.5000 . height 27700 2 43 44030462.3750 . volume 27700 2 44 422451.2500 . height 27700 2 44 5597976.1875 . volume 27700 2 45 2282232.5000 . height 27700 2 45 29464442.0625 . volume 27700 2 46 -57246.6250 . height 27700 2 46 126648.5000 . volume 27700 2 47 474595.1875 . height 27700 2 47 6348482.8125 . volume 27700 2 48 332996.0625 . height 27700 2 48 4355958.0625 . volume 27700 2 49 252934.6875 . height 27700 2 49 3422713.9375 . volume 27700 2 50 6896.0000 . height 27700 2 50 161360.4375 . volume 27700 2 51 404189.5625 . height 27700 2 51 5456540.3125 . volume 27700 2 52 431297.6875 . height 27700 2 52 5880347.9375 . volume 27700 2 53 633755.6250 . height 27700 2 53 7610292.5625 . volume 27700 2 54 1841931.1250 . height 27700 2 54 23794965.6875 . volume 27700 2 55 431968.8750 . height 27700 2 55 5834631.5625 . volume 27700 2 56 1337687.0000 . height 27700 2 56 17522609.0625 . volume 27700 2 57 1882934.0000 . height 27700 2 57 26155461.7500 . volume 27700 2 58 505566.5625 . height 27700 2 58 6285800.9375 . volume 27700 2 59 177235.4375 . height 27700 2 59 2553504.5625 . volume 27700 2 60 230872.6875 . height 27700 2 60 3056131.6875 . volume 27700 2 61 3890284.7500 . height 27700 2 61 42614026.6250 . volume 27700 2 62 5311575.0000 . height 27700 2 62 69172688.1875 . volume 27700 2 63 78623.6875 . height 27700 2 63 1013537.7500 . volume 27700 2 64 3196013.5000 . height 27700 2 64 35468631.3750 . volume 27700 2 65 2607440.7500 . height 27700 2 65 33410740.5625 . volume 27700 2 66 3658922.7500 . height 27700 2 66 40926302.2500 . volume 27700 2 67 4375614.5000 . height 27700 2 67 52640492.1250 . volume 27700 2 68 3422181.5000 . height 27700 2 68 37682983.3750 . volume 27700 2 69 172795.5000 . height 27700 2 69 2439189.8125 . volume 27700 2 70 764134.5000 . height 27700 2 70 9119055.8750 . volume 27700 2 71 364281.3750 . height 27700 2 71 5034647.7500 . volume 27700 2 72 588760.4375 . height 27700 2 72 6922595.4375 . volume 27700 2 73 -43783.1250 . height 27700 2 73 359955.8125 . volume 27700 2 74 966213.6875 . height 27700 2 74 13455816.8750 . volume 27700 2 75 304712.5625 . height 27700 2 75 4134561.1250 . volume 27700 2 76 -17295.0625 . height 27700 2 76 1469881.1875 . volume 27700 2 77 2559158.0000 . height 27700 2 77 34582487.2500 . volume 27700 2 78 240346.5625 . height 27700 2 78 3437223.6875 . volume 27700 2 79 462961.3125 . height 27700 2 79 6265169.0625 . volume 27700 2 80 3736509.2500 . height 27700 2 80 40590564.6250 . volume 27700 2 81 398870.5000 . height 27700 2 81 5063967.6250 . volume 27700 2 82 4219525.0000 . height 27700 2 82 42750136.4375 . volume 27700 2 83 381849.8750 . height 27700 2 83 4985585.6250 . volume 27700 2 84 1904204.2500 . height 27700 2 84 21891091.8125 . volume 27700 2 85 278092.2500 . height 27700 2 85 3697821.4375 . volume 27700 2 86 161435.1875 . height 27700 2 86 2254809.5625 . volume 27700 2 87 319308.6875 . height 27700 2 87 4411739.2500 . volume 27700 2 88 4267514.0000 . height 27700 2 88 45049013.3125 . volume 27700 2 89 262367.4375 . height 27700 2 89 3479437.8125 . volume 27700 2 90 447947.3125 . height 27700 2 90 6128962.4375 . volume 27700 2 91 413318.5625 . height 27700 2 91 5216876.6875 . volume 27700 2 92 709746.7500 . height 27700 2 92 8285792.1875 . volume 27700 2 93 3799712.5000 . height 27700 2 93 40110408.1250 . volume 27700 2 94 573190.0000 . height 27700 2 94 7402772.6250 . volume 27700 2 95 239990.8750 . height 27700 2 95 3739808.8125 . volume 27700 2 96 433795.3750 . height 27700 2 96 5815396.4375 . volume 27700 2 97 281881.7500 . height 27700 2 97 4330631.1250 . volume 27700 2 98 515356.3750 . height 27700 2 98 7312460.3125 . volume 27700 2 99 3786774.5000 . height 27700 2 99 45286635.5625 . volume 27700 2 100 3673600.2500 . height 27700 2 100 40945579.1250 . volume 27700 2 101 399977.4375 . height 27700 2 101 5241634.2500 . volume 27700 2 102 444519.8750 . height 27700 2 102 5678183.7500 . volume 27700 2 103 216202.9375 . height 27700 2 103 2745383.2500 . volume 27700 2 104 267775.8750 . height 27700 2 104 4025962.1875 . volume 27700 2 105 427646.9375 . height 27700 2 105 5454047.9375 . volume 27700 2 106 718788.3750 . height 27700 2 106 9693414.6250 . volume 27700 2 107 468888.5625 . height 27700 2 107 6189568.0625 . volume 27700 2 108 4198233.0000 . height 27700 2 108 44353375.5000 . volume 27700 2 109 884625.7500 . height 27700 2 109 10376153.5625 . volume 27700 2 110 101580.5000 . height 27700 2 110 1440900.6250 . volume 27700 2 111 264337.1875 . height 27700 2 111 3549391.1875 . volume 27700 2 112 280456.2500 . height 27700 2 112 3300809.6250 . volume 27700 2 113 2242712.0000 . height 27700 2 113 28317571.1875 . volume 27700 2 114 259025.4375 . height 27700 2 114 3497337.6250 . volume 27700 2 115 248843.3125 . height 27700 2 115 3251088.8750 . volume 27700 2 116 3588763.0000 . height 27700 2 116 39353831.3125 . volume 27700 2 117 3823389.7500 . height 27700 2 117 42053557.1875 . volume 27700 2 118 1532.7500 . height 27700 2 118 -92680.2500 . volume 27700 2 119 287.1875 . height 27700 2 119 123906.3750 . volume 27700 2 120 -3963.6875 . height 27700 2 120 -79400.5625 . volume 27700 2 121 369695.3125 . height 27700 2 121 5028938.8750 . volume 27700 2 122 114158.6875 . height 27700 2 122 1686294.1875 . volume 27700 2 123 -1865.3125 . height 27700 2 123 -45838.0625 . volume 27700 2 124 1138.7500 . height 27700 2 124 17762.1250 . volume 27700 2 125 178968.0000 . height 27700 2 125 2819573.6875 . volume 27700 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.415 . 28.51942554120 . . . . . . . . . . . 27700 2 1 2 119.999 . 25.69421600700 . . . . . . . . . . . 27700 2 1 3 172.310 . 42.54489816650 . . . . . . . . . . . 27700 2 2 1 7.728 . 27.01869007290 . . . . . . . . . . . 27700 2 2 2 119.949 . 23.16515064180 . . . . . . . . . . . 27700 2 2 3 175.479 . 42.22850218470 . . . . . . . . . . . 27700 2 3 1 7.572 . 27.43608159260 . . . . . . . . . . . 27700 2 3 2 118.917 . 24.30464614000 . . . . . . . . . . . 27700 2 3 3 176.802 . 41.13468218020 . . . . . . . . . . . 27700 2 4 1 7.475 . 25.54197591250 . . . . . . . . . . . 27700 2 4 2 117.837 . 22.58451325160 . . . . . . . . . . . 27700 2 4 3 176.642 . 42.49469353730 . . . . . . . . . . . 27700 2 5 1 8.432 . 25.59666271980 . . . . . . . . . . . 27700 2 5 2 124.083 . 24.23698402150 . . . . . . . . . . . 27700 2 5 3 174.613 . 36.18108756230 . . . . . . . . . . . 27700 2 6 1 8.421 . 21.97353396470 . . . . . . . . . . . 27700 2 6 2 126.808 . 20.89958876840 . . . . . . . . . . . 27700 2 6 3 174.590 . 33.48029215280 . . . . . . . . . . . 27700 2 7 1 7.369 . 26.01218023680 . . . . . . . . . . . 27700 2 7 2 120.678 . 24.16803064130 . . . . . . . . . . . 27700 2 7 3 177.710 . 39.78973221180 . . . . . . . . . . . 27700 2 8 1 9.105 . 28.25672442960 . . . . . . . . . . . 27700 2 8 2 119.851 . 24.15072773320 . . . . . . . . . . . 27700 2 8 3 174.912 . 40.99560467570 . . . . . . . . . . . 27700 2 9 1 9.154 . 28.38807498540 . . . . . . . . . . . 27700 2 9 2 126.013 . 23.46166739360 . . . . . . . . . . . 27700 2 9 3 175.747 . 43.59086354570 . . . . . . . . . . . 27700 2 10 1 7.242 . 27.18837250300 . . . . . . . . . . . 27700 2 10 2 117.765 . 23.30469300060 . . . . . . . . . . . 27700 2 10 3 175.290 . 43.68806825320 . . . . . . . . . . . 27700 2 11 1 8.514 . 21.67250097890 . . . . . . . . . . . 27700 2 11 2 126.699 . 20.02527540230 . . . . . . . . . . . 27700 2 11 3 174.564 . 32.68492264560 . . . . . . . . . . . 27700 2 12 1 8.508 . 38.09626100630 . . . . . . . . . . . 27700 2 12 2 126.703 . 15.44245814120 . . . . . . . . . . . 27700 2 12 3 178.469 . 43.16252192290 . . . . . . . . . . . 27700 2 13 1 7.755 . 27.79111993020 . . . . . . . . . . . 27700 2 13 2 114.511 . 20.86885673750 . . . . . . . . . . . 27700 2 13 3 172.802 . 38.12774535150 . . . . . . . . . . . 27700 2 14 1 8.206 . 23.62453038010 . . . . . . . . . . . 27700 2 14 2 119.573 . 20.47889567330 . . . . . . . . . . . 27700 2 14 3 178.594 . 39.98083025750 . . . . . . . . . . . 27700 2 15 1 7.813 . 26.53962682660 . . . . . . . . . . . 27700 2 15 2 113.518 . 23.67089484760 . . . . . . . . . . . 27700 2 15 3 175.265 . 43.59342718640 . . . . . . . . . . . 27700 2 16 1 8.583 . 26.47097018070 . . . . . . . . . . . 27700 2 16 2 117.663 . 22.29268808440 . . . . . . . . . . . 27700 2 16 3 177.670 . 43.12641731730 . . . . . . . . . . . 27700 2 17 1 8.426 . 23.22707143500 . . . . . . . . . . . 27700 2 17 2 116.578 . 23.76300485610 . . . . . . . . . . . 27700 2 17 3 177.190 . 33.71956527870 . . . . . . . . . . . 27700 2 18 1 8.365 . 20.53106294540 . . . . . . . . . . . 27700 2 18 2 126.468 . 19.70792629350 . . . . . . . . . . . 27700 2 18 3 175.857 . 32.51903373280 . . . . . . . . . . . 27700 2 19 1 7.939 . 25.47485254160 . . . . . . . . . . . 27700 2 19 2 114.430 . 21.67322675590 . . . . . . . . . . . 27700 2 19 3 175.464 . 41.03256382820 . . . . . . . . . . . 27700 2 20 1 7.938 . 30.53977086050 . . . . . . . . . . . 27700 2 20 2 114.441 . 21.78789080390 . . . . . . . . . . . 27700 2 20 3 175.259 . 139.83762392400 . . . . . . . . . . . 27700 2 21 1 8.652 . 27.55516594870 . . . . . . . . . . . 27700 2 21 2 119.128 . 23.16274028650 . . . . . . . . . . . 27700 2 21 3 175.109 . 42.13770657880 . . . . . . . . . . . 27700 2 22 1 8.307 . 20.66002840680 . . . . . . . . . . . 27700 2 22 2 123.980 . 22.81917856310 . . . . . . . . . . . 27700 2 22 3 177.423 . 32.21695141130 . . . . . . . . . . . 27700 2 23 1 8.807 . 28.20033398340 . . . . . . . . . . . 27700 2 23 2 126.129 . 23.57792399780 . . . . . . . . . . . 27700 2 23 3 174.630 . 38.34950026650 . . . . . . . . . . . 27700 2 24 1 7.689 . 20.37756508440 . . . . . . . . . . . 27700 2 24 2 114.259 . 23.64197058320 . . . . . . . . . . . 27700 2 24 3 176.951 . 46.98074419440 . . . . . . . . . . . 27700 2 25 1 7.679 . 16.43125603840 . . . . . . . . . . . 27700 2 25 2 114.239 . 15.32986011210 . . . . . . . . . . . 27700 2 25 3 175.247 . 29.36607620620 . . . . . . . . . . . 27700 2 26 1 8.254 . 25.75953059440 . . . . . . . . . . . 27700 2 26 2 119.116 . 21.72384421860 . . . . . . . . . . . 27700 2 26 3 179.239 . 38.70210767220 . . . . . . . . . . . 27700 2 27 1 8.259 . 61.82352080940 . . . . . . . . . . . 27700 2 27 2 119.133 . 12.17177808110 . . . . . . . . . . . 27700 2 27 3 177.549 . 27.61318692170 . . . . . . . . . . . 27700 2 28 1 8.336 . 28.68058977690 . . . . . . . . . . . 27700 2 28 2 117.439 . 24.89638838170 . . . . . . . . . . . 27700 2 28 3 179.596 . 42.12697133370 . . . . . . . . . . . 27700 2 29 1 8.811 . 27.00932005920 . . . . . . . . . . . 27700 2 29 2 119.057 . 22.93341219050 . . . . . . . . . . . 27700 2 29 3 175.805 . 41.70423767470 . . . . . . . . . . . 27700 2 30 1 7.692 . 20.03206712440 . . . . . . . . . . . 27700 2 30 2 113.446 . 109.45044935700 . . . . . . . . . . . 27700 2 30 3 176.933 . 32.86768885920 . . . . . . . . . . . 27700 2 31 1 8.315 . 22.28087041440 . . . . . . . . . . . 27700 2 31 2 109.379 . 18.91939575310 . . . . . . . . . . . 27700 2 31 3 174.802 . 33.25981905810 . . . . . . . . . . . 27700 2 32 1 7.430 . 25.47519326940 . . . . . . . . . . . 27700 2 32 2 117.250 . 22.52873074180 . . . . . . . . . . . 27700 2 32 3 178.032 . 43.57836579760 . . . . . . . . . . . 27700 2 33 1 8.491 . 21.53603950650 . . . . . . . . . . . 27700 2 33 2 126.817 . 20.16554947600 . . . . . . . . . . . 27700 2 33 3 176.244 . 32.59348612960 . . . . . . . . . . . 27700 2 34 1 8.485 . 14.07103476730 . . . . . . . . . . . 27700 2 34 2 126.811 . 14.40079724560 . . . . . . . . . . . 27700 2 34 3 178.287 . 21.73337030580 . . . . . . . . . . . 27700 2 35 1 8.471 . 21.95888267060 . . . . . . . . . . . 27700 2 35 2 125.491 . 23.39120754130 . . . . . . . . . . . 27700 2 35 3 174.338 . 33.58454687190 . . . . . . . . . . . 27700 2 36 1 8.411 . 28.46405727830 . . . . . . . . . . . 27700 2 36 2 117.745 . 24.89948741000 . . . . . . . . . . . 27700 2 36 3 175.381 . 33.96759751020 . . . . . . . . . . . 27700 2 37 1 8.098 . 24.77244224130 . . . . . . . . . . . 27700 2 37 2 123.836 . 23.75482686470 . . . . . . . . . . . 27700 2 37 3 174.785 . 36.64681561100 . . . . . . . . . . . 27700 2 38 1 8.609 . 20.75406927160 . . . . . . . . . . . 27700 2 38 2 125.279 . 21.56071481090 . . . . . . . . . . . 27700 2 38 3 176.087 . 31.09471772310 . . . . . . . . . . . 27700 2 39 1 7.182 . 25.28336353420 . . . . . . . . . . . 27700 2 39 2 125.085 . 21.89945582360 . . . . . . . . . . . 27700 2 39 3 176.119 . 42.84431002900 . . . . . . . . . . . 27700 2 40 1 8.156 . 26.33297543340 . . . . . . . . . . . 27700 2 40 2 118.912 . 24.08978017610 . . . . . . . . . . . 27700 2 40 3 178.866 . 41.10893895550 . . . . . . . . . . . 27700 2 41 1 7.092 . 27.92672958320 . . . . . . . . . . . 27700 2 41 2 127.533 . 24.20775846280 . . . . . . . . . . . 27700 2 41 3 175.020 . 41.93282896470 . . . . . . . . . . . 27700 2 42 1 8.368 . 26.34115289990 . . . . . . . . . . . 27700 2 42 2 123.690 . 23.59970328020 . . . . . . . . . . . 27700 2 42 3 180.489 . 40.19521470570 . . . . . . . . . . . 27700 2 43 1 8.287 . 21.23977670950 . . . . . . . . . . . 27700 2 43 2 123.684 . 21.00693566620 . . . . . . . . . . . 27700 2 43 3 176.661 . 32.24333554610 . . . . . . . . . . . 27700 2 44 1 8.292 . 26.21883163000 . . . . . . . . . . . 27700 2 44 2 118.587 . 23.87887408180 . . . . . . . . . . . 27700 2 44 3 179.246 . 40.37274681970 . . . . . . . . . . . 27700 2 45 1 8.435 . 22.69502502030 . . . . . . . . . . . 27700 2 45 2 123.795 . 25.10643363480 . . . . . . . . . . . 27700 2 45 3 176.709 . 32.75638412830 . . . . . . . . . . . 27700 2 46 1 8.433 . 20.46019156890 . . . . . . . . . . . 27700 2 46 2 123.773 . 7.24630297987 . . . . . . . . . . . 27700 2 46 3 177.700 . 37.18710287500 . . . . . . . . . . . 27700 2 47 1 8.046 . 25.90979154150 . . . . . . . . . . . 27700 2 47 2 111.921 . 22.40683562770 . . . . . . . . . . . 27700 2 47 3 173.378 . 43.13816733690 . . . . . . . . . . . 27700 2 48 1 8.627 . 28.59643001750 . . . . . . . . . . . 27700 2 48 2 113.502 . 23.08638367190 . . . . . . . . . . . 27700 2 48 3 171.983 . 38.09676802710 . . . . . . . . . . . 27700 2 49 1 8.575 . 30.82308600230 . . . . . . . . . . . 27700 2 49 2 127.681 . 23.98626402170 . . . . . . . . . . . 27700 2 49 3 175.256 . 39.33607463770 . . . . . . . . . . . 27700 2 50 1 8.568 . 42.24206616240 . . . . . . . . . . . 27700 2 50 2 127.696 . 20.52340116340 . . . . . . . . . . . 27700 2 50 3 175.633 . 249.74346160900 . . . . . . . . . . . 27700 2 51 1 8.234 . 24.87994185310 . . . . . . . . . . . 27700 2 51 2 118.396 . 22.27392174620 . . . . . . . . . . . 27700 2 51 3 177.578 . 43.09522635620 . . . . . . . . . . . 27700 2 52 1 7.310 . 25.40329970960 . . . . . . . . . . . 27700 2 52 2 111.424 . 24.22080020700 . . . . . . . . . . . 27700 2 52 3 177.247 . 40.43876056600 . . . . . . . . . . . 27700 2 53 1 8.218 . 25.55492356780 . . . . . . . . . . . 27700 2 53 2 108.085 . 19.84066800670 . . . . . . . . . . . 27700 2 53 3 174.747 . 37.96303144070 . . . . . . . . . . . 27700 2 54 1 8.529 . 23.89660150540 . . . . . . . . . . . 27700 2 54 2 124.076 . 23.86708055740 . . . . . . . . . . . 27700 2 54 3 176.497 . 33.73110166160 . . . . . . . . . . . 27700 2 55 1 8.991 . 26.33331616110 . . . . . . . . . . . 27700 2 55 2 125.029 . 23.26053184690 . . . . . . . . . . . 27700 2 55 3 175.621 . 42.46734803720 . . . . . . . . . . . 27700 2 56 1 8.448 . 22.93421591560 . . . . . . . . . . . 27700 2 56 2 123.470 . 52.63596308290 . . . . . . . . . . . 27700 2 56 3 176.700 . 36.32999235580 . . . . . . . . . . . 27700 2 57 1 8.333 . 24.19133102750 . . . . . . . . . . . 27700 2 57 2 123.477 . 24.57796322140 . . . . . . . . . . . 27700 2 57 3 176.742 . 37.84499715310 . . . . . . . . . . . 27700 2 58 1 8.180 . 26.57335887600 . . . . . . . . . . . 27700 2 58 2 121.926 . 21.55477500660 . . . . . . . . . . . 27700 2 58 3 177.184 . 38.87803751080 . . . . . . . . . . . 27700 2 59 1 8.078 . 26.94287814380 . . . . . . . . . . . 27700 2 59 2 110.004 . 25.01638964520 . . . . . . . . . . . 27700 2 59 3 174.866 . 40.53158572070 . . . . . . . . . . . 27700 2 60 1 9.395 . 28.19045287810 . . . . . . . . . . . 27700 2 60 2 121.672 . 22.38540068170 . . . . . . . . . . . 27700 2 60 3 174.564 . 42.58164368220 . . . . . . . . . . . 27700 2 61 1 8.466 . 20.23854815380 . . . . . . . . . . . 27700 2 61 2 120.514 . 20.14471711900 . . . . . . . . . . . 27700 2 61 3 178.499 . 34.16008419460 . . . . . . . . . . . 27700 2 62 1 8.308 . 23.14972623090 . . . . . . . . . . . 27700 2 62 2 123.227 . 22.64107051850 . . . . . . . . . . . 27700 2 62 3 176.615 . 39.40112701880 . . . . . . . . . . . 27700 2 63 1 8.348 . 24.29593445320 . . . . . . . . . . . 27700 2 63 2 118.918 . 26.88871925790 . . . . . . . . . . . 27700 2 63 3 176.888 . 155.92372118400 . . . . . . . . . . . 27700 2 64 1 8.351 . 22.73744562780 . . . . . . . . . . . 27700 2 64 2 118.851 . 19.54927326010 . . . . . . . . . . . 27700 2 64 3 176.692 . 33.74402668310 . . . . . . . . . . . 27700 2 65 1 8.381 . 21.60980706900 . . . . . . . . . . . 27700 2 65 2 121.617 . 23.68768125100 . . . . . . . . . . . 27700 2 65 3 176.865 . 34.12419322570 . . . . . . . . . . . 27700 2 66 1 8.391 . 22.37388909590 . . . . . . . . . . . 27700 2 66 2 120.511 . 19.91513077060 . . . . . . . . . . . 27700 2 66 3 176.401 . 33.98778618020 . . . . . . . . . . . 27700 2 67 1 8.194 . 20.29919769710 . . . . . . . . . . . 27700 2 67 2 123.625 . 22.83682580770 . . . . . . . . . . . 27700 2 67 3 177.562 . 34.03136807100 . . . . . . . . . . . 27700 2 68 1 8.430 . 20.59069030530 . . . . . . . . . . . 27700 2 68 2 123.111 . 22.58942004640 . . . . . . . . . . . 27700 2 68 3 176.371 . 30.80224905390 . . . . . . . . . . . 27700 2 69 1 8.221 . 29.21451019440 . . . . . . . . . . . 27700 2 69 2 121.676 . 24.29388562490 . . . . . . . . . . . 27700 2 69 3 175.482 . 41.54700104910 . . . . . . . . . . . 27700 2 70 1 8.509 . 26.79721702160 . . . . . . . . . . . 27700 2 70 2 120.491 . 20.42741736950 . . . . . . . . . . . 27700 2 70 3 176.308 . 38.22527051400 . . . . . . . . . . . 27700 2 71 1 8.468 . 26.52650880740 . . . . . . . . . . . 27700 2 71 2 123.077 . 23.89290579340 . . . . . . . . . . . 27700 2 71 3 179.959 . 42.81071565490 . . . . . . . . . . . 27700 2 72 1 8.284 . 26.13041277340 . . . . . . . . . . . 27700 2 72 2 118.861 . 19.84170101610 . . . . . . . . . . . 27700 2 72 3 178.360 . 36.89548875270 . . . . . . . . . . . 27700 2 73 1 8.281 . 58.88985469940 . . . . . . . . . . . 27700 2 73 2 118.865 . 5.48924000397 . . . . . . . . . . . 27700 2 73 3 179.246 . 40.15045781290 . . . . . . . . . . . 27700 2 74 1 8.127 . 25.33106542220 . . . . . . . . . . . 27700 2 74 2 116.340 . 23.81844302950 . . . . . . . . . . . 27700 2 74 3 177.689 . 38.90783983320 . . . . . . . . . . . 27700 2 75 1 7.746 . 26.53042717680 . . . . . . . . . . . 27700 2 75 2 120.429 . 23.57835441850 . . . . . . . . . . . 27700 2 75 3 177.753 . 39.70246161180 . . . . . . . . . . . 27700 2 76 1 8.409 . 46.80134446880 . . . . . . . . . . . 27700 2 76 2 122.804 . 3.36838553642 . . . . . . . . . . . 27700 2 76 3 176.344 . 71.26750057320 . . . . . . . . . . . 27700 2 77 1 8.418 . 21.77028984920 . . . . . . . . . . . 27700 2 77 2 122.804 . 25.79295449280 . . . . . . . . . . . 27700 2 77 3 177.290 . 30.71722163950 . . . . . . . . . . . 27700 2 78 1 8.814 . 25.99378093710 . . . . . . . . . . . 27700 2 78 2 121.367 . 24.64321498440 . . . . . . . . . . . 27700 2 78 3 180.446 . 42.23277491910 . . . . . . . . . . . 27700 2 79 1 7.492 . 26.80096502710 . . . . . . . . . . . 27700 2 79 2 105.028 . 24.74384732080 . . . . . . . . . . . 27700 2 79 3 179.479 . 39.27881999680 . . . . . . . . . . . 27700 2 80 1 8.081 . 22.14713476420 . . . . . . . . . . . 27700 2 80 2 120.390 . 19.07951221650 . . . . . . . . . . . 27700 2 80 3 174.770 . 33.94302928750 . . . . . . . . . . . 27700 2 81 1 8.979 . 25.45645324200 . . . . . . . . . . . 27700 2 81 2 122.480 . 21.47626628910 . . . . . . . . . . . 27700 2 81 3 175.147 . 43.36761317370 . . . . . . . . . . . 27700 2 82 1 8.335 . 20.91966296840 . . . . . . . . . . . 27700 2 82 2 124.020 . 19.37133738380 . . . . . . . . . . . 27700 2 82 3 176.369 . 30.51789858010 . . . . . . . . . . . 27700 2 83 1 7.436 . 26.07691851330 . . . . . . . . . . . 27700 2 83 2 121.345 . 22.50832880530 . . . . . . . . . . . 27700 2 83 3 176.095 . 40.32019218660 . . . . . . . . . . . 27700 2 84 1 8.391 . 23.67785427630 . . . . . . . . . . . 27700 2 84 2 124.468 . 20.74377651090 . . . . . . . . . . . 27700 2 84 3 174.945 . 34.28506167560 . . . . . . . . . . . 27700 2 85 1 9.319 . 27.22414891890 . . . . . . . . . . . 27700 2 85 2 120.237 . 23.10756036550 . . . . . . . . . . . 27700 2 85 3 177.425 . 40.33952630980 . . . . . . . . . . . 27700 2 86 1 8.444 . 34.19884639540 . . . . . . . . . . . 27700 2 86 2 109.834 . 23.89436922340 . . . . . . . . . . . 27700 2 86 3 178.139 . 41.68896264930 . . . . . . . . . . . 27700 2 87 1 7.902 . 27.13964843170 . . . . . . . . . . . 27700 2 87 2 121.159 . 23.63999064850 . . . . . . . . . . . 27700 2 87 3 176.060 . 42.37868879860 . . . . . . . . . . . 27700 2 88 1 8.199 . 21.36516452930 . . . . . . . . . . . 27700 2 88 2 125.083 . 20.00749903150 . . . . . . . . . . . 27700 2 88 3 176.473 . 32.20872639760 . . . . . . . . . . . 27700 2 89 1 8.536 . 27.30047193970 . . . . . . . . . . . 27700 2 89 2 120.278 . 21.56415817570 . . . . . . . . . . . 27700 2 89 3 179.151 . 42.16985890520 . . . . . . . . . . . 27700 2 90 1 9.089 . 25.41181790390 . . . . . . . . . . . 27700 2 90 2 122.300 . 23.40412015930 . . . . . . . . . . . 27700 2 90 3 175.634 . 40.12631686360 . . . . . . . . . . . 27700 2 91 1 9.042 . 26.05851921370 . . . . . . . . . . . 27700 2 91 2 125.178 . 20.68670273930 . . . . . . . . . . . 27700 2 91 3 178.733 . 40.29690578420 . . . . . . . . . . . 27700 2 92 1 8.631 . 27.00046113710 . . . . . . . . . . . 27700 2 92 2 121.090 . 19.78066737500 . . . . . . . . . . . 27700 2 92 3 176.479 . 36.42431296760 . . . . . . . . . . . 27700 2 93 1 8.083 . 20.93295135150 . . . . . . . . . . . 27700 2 93 2 128.925 . 19.82629195860 . . . . . . . . . . . 27700 2 93 3 174.800 . 32.82677742740 . . . . . . . . . . . 27700 2 94 1 8.592 . 24.84842453420 . . . . . . . . . . . 27700 2 94 2 120.170 . 21.77015747520 . . . . . . . . . . . 27700 2 94 3 177.741 . 42.53496405900 . . . . . . . . . . . 27700 2 95 1 8.547 . 28.10901894080 . . . . . . . . . . . 27700 2 95 2 122.189 . 24.86376250020 . . . . . . . . . . . 27700 2 95 3 175.648 . 49.22254111180 . . . . . . . . . . . 27700 2 96 1 8.446 . 25.73431673940 . . . . . . . . . . . 27700 2 96 2 120.998 . 24.20229212110 . . . . . . . . . . . 27700 2 96 3 179.535 . 40.35586951880 . . . . . . . . . . . 27700 2 97 1 8.331 . 28.54668376290 . . . . . . . . . . . 27700 2 97 2 120.182 . 26.51838537310 . . . . . . . . . . . 27700 2 97 3 180.258 . 41.72159565820 . . . . . . . . . . . 27700 2 98 1 7.614 . 24.09558652380 . . . . . . . . . . . 27700 2 98 2 122.081 . 24.23009729190 . . . . . . . . . . . 27700 2 98 3 179.342 . 42.15073841870 . . . . . . . . . . . 27700 2 99 1 8.179 . 20.95220247060 . . . . . . . . . . . 27700 2 99 2 121.042 . 23.18357264360 . . . . . . . . . . . 27700 2 99 3 177.903 . 33.12148928220 . . . . . . . . . . . 27700 2 100 1 8.216 . 22.44799738610 . . . . . . . . . . . 27700 2 100 2 116.984 . 18.63841718500 . . . . . . . . . . . 27700 2 100 3 174.692 . 34.72216240390 . . . . . . . . . . . 27700 2 101 1 8.839 . 27.36589167180 . . . . . . . . . . . 27700 2 101 2 120.009 . 22.44385179930 . . . . . . . . . . . 27700 2 101 3 174.086 . 41.50854643960 . . . . . . . . . . . 27700 2 102 1 8.780 . 26.98700239020 . . . . . . . . . . . 27700 2 102 2 121.933 . 22.41268934780 . . . . . . . . . . . 27700 2 102 3 173.674 . 39.75266624100 . . . . . . . . . . . 27700 2 103 1 7.938 . 21.13875092530 . . . . . . . . . . . 27700 2 103 2 120.994 . 24.28364161460 . . . . . . . . . . . 27700 2 103 3 176.039 . 33.07235283660 . . . . . . . . . . . 27700 2 104 1 7.028 . 29.15471247060 . . . . . . . . . . . 27700 2 104 2 104.627 . 26.62960605630 . . . . . . . . . . . 27700 2 104 3 174.854 . 40.12759868390 . . . . . . . . . . . 27700 2 105 1 8.038 . 25.68388902920 . . . . . . . . . . . 27700 2 105 2 120.046 . 21.17264759740 . . . . . . . . . . . 27700 2 105 3 178.092 . 41.27002104210 . . . . . . . . . . . 27700 2 106 1 8.314 . 25.17688610570 . . . . . . . . . . . 27700 2 106 2 121.943 . 24.00524557020 . . . . . . . . . . . 27700 2 106 3 174.695 . 37.64300363470 . . . . . . . . . . . 27700 2 107 1 7.874 . 25.62545421650 . . . . . . . . . . . 27700 2 107 2 120.636 . 21.57500477490 . . . . . . . . . . . 27700 2 107 3 180.270 . 44.31418406920 . . . . . . . . . . . 27700 2 108 1 8.488 . 22.77151840490 . . . . . . . . . . . 27700 2 108 2 109.478 . 18.97758861830 . . . . . . . . . . . 27700 2 108 3 178.298 . 33.83941547850 . . . . . . . . . . . 27700 2 109 1 8.683 . 26.68392503770 . . . . . . . . . . . 27700 2 109 2 112.673 . 21.11230262920 . . . . . . . . . . . 27700 2 109 3 175.263 . 36.74551577550 . . . . . . . . . . . 27700 2 110 1 6.742 . 27.43028922050 . . . . . . . . . . . 27700 2 110 2 117.569 . 25.59349758650 . . . . . . . . . . . 27700 2 110 3 176.025 . 40.59183127560 . . . . . . . . . . . 27700 2 111 1 8.704 . 30.21216110850 . . . . . . . . . . . 27700 2 111 2 115.004 . 22.39891588860 . . . . . . . . . . . 27700 2 111 3 177.124 . 42.10138833650 . . . . . . . . . . . 27700 2 112 1 8.043 . 20.47399104370 . . . . . . . . . . . 27700 2 112 2 117.075 . 23.04420245310 . . . . . . . . . . . 27700 2 112 3 176.565 . 32.04871249460 . . . . . . . . . . . 27700 2 113 1 8.368 . 23.47409906910 . . . . . . . . . . . 27700 2 113 2 116.456 . 23.68329096090 . . . . . . . . . . . 27700 2 113 3 174.362 . 33.77831537660 . . . . . . . . . . . 27700 2 114 1 8.190 . 20.34229976010 . . . . . . . . . . . 27700 2 114 2 122.319 . 67.17143893450 . . . . . . . . . . . 27700 2 114 3 177.575 . 30.65398517050 . . . . . . . . . . . 27700 2 115 1 8.005 . 28.20323016950 . . . . . . . . . . . 27700 2 115 2 115.679 . 22.60603428160 . . . . . . . . . . . 27700 2 115 3 177.004 . 40.32264900890 . . . . . . . . . . . 27700 2 116 1 8.384 . 22.07643375160 . . . . . . . . . . . 27700 2 116 2 110.161 . 21.59850573970 . . . . . . . . . . . 27700 2 116 3 177.595 . 32.48057912330 . . . . . . . . . . . 27700 2 117 1 8.351 . 22.33351285500 . . . . . . . . . . . 27700 2 117 2 118.956 . 21.50837566590 . . . . . . . . . . . 27700 2 117 3 177.294 . 31.60680494000 . . . . . . . . . . . 27700 2 119 1 7.488 . 18.99080305560 . . . . . . . . . . . 27700 2 119 2 105.024 . 59.91110424300 . . . . . . . . . . . 27700 2 119 3 175.088 . 15.96037204980 . . . . . . . . . . . 27700 2 121 1 7.970 . 25.38796695990 . . . . . . . . . . . 27700 2 121 2 121.015 . 23.81637701060 . . . . . . . . . . . 27700 2 121 3 180.634 . 39.77258786510 . . . . . . . . . . . 27700 2 122 1 9.248 . 30.91150485890 . . . . . . . . . . . 27700 2 122 2 128.479 . 25.56616587830 . . . . . . . . . . . 27700 2 122 3 179.278 . 42.24324311830 . . . . . . . . . . . 27700 2 124 1 8.362 . 17.22021119260 . . . . . . . . . . . 27700 2 124 2 110.363 . 22.79920704720 . . . . . . . . . . . 27700 2 124 3 173.403 . 79.68585551000 . . . . . . . . . . . 27700 2 125 1 8.368 . 33.30443599600 . . . . . . . . . . . 27700 2 125 2 110.254 . 24.56496451920 . . . . . . . . . . . 27700 2 125 3 176.455 . 40.21486928390 . . . . . . . . . . . 27700 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.415 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 2 1 2 1 . . 119.999 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 2 1 3 2 . . 172.310 . . 1 . 1 1 113 SER C . . . . . . . . . . 254 . 27700 2 2 1 1 . . 7.728 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 2 2 2 1 . . 119.949 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 2 2 3 2 . . 175.479 . . 1 . 1 1 101 THR C . . . . . . . . . . 301 . 27700 2 3 1 1 . . 7.572 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 2 3 2 1 . . 118.917 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 2 3 3 1 . . 176.802 . . 1 . 1 1 52 VAL C . . . . . . . . . . 224 . 27700 2 4 1 1 . . 7.475 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 2 4 2 1 . . 117.837 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 2 4 3 2 . . 176.642 . . 1 . 1 1 93 ILE C . . . . . . . . . . 546 . 27700 2 5 1 1 . . 8.432 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 2 5 2 1 . . 124.083 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 2 5 3 2 . . 174.613 . . 1 . 1 1 39 SER C . . . . . . . . . . 318 . 27700 2 6 1 1 . . 8.421 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 2 6 2 1 . . 126.808 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 2 6 3 2 . . 174.590 . . 1 . 1 1 27 SER C . . . . . . . . . . 509 . 27700 2 7 1 1 . . 7.369 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 2 7 2 1 . . 120.678 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 2 7 3 2 . . 177.710 . . 1 . 1 1 76 LYS C . . . . . . . . . . 541 . 27700 2 8 1 1 . . 9.105 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 2 8 2 1 . . 119.851 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 2 8 3 2 . . 174.912 . . 1 . 1 1 102 LEU C . . . . . . . . . . 223 . 27700 2 9 1 1 . . 9.154 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 2 9 2 1 . . 126.013 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 2 9 3 2 . . 175.747 . . 1 . 1 1 81 ASP C . . . . . . . . . . 542 . 27700 2 10 1 1 . . 7.242 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 2 10 2 1 . . 117.765 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 2 10 3 2 . . 175.290 . . 1 . 1 1 72 THR C . . . . . . . . . . 276 . 27700 2 11 1 1 . . 8.514 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 2 11 2 1 . . 126.699 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 2 11 3 2 . . 174.564 . . 1 . 1 1 13 THR C . . . . . . . . . . 472 . 27700 2 12 1 1 . . 8.508 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 2 12 2 1 . . 126.703 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 2 13 1 1 . . 7.755 . . 1 . 1 1 113 SER H . . . . . . . . . . 23 . 27700 2 13 2 1 . . 114.511 . . 1 . 1 1 113 SER N . . . . . . . . . . 24 . 27700 2 13 3 2 . . 172.802 . . 1 . 1 1 112 GLY C . . . . . . . . . . 364 . 27700 2 14 1 1 . . 8.206 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 2 14 2 1 . . 119.573 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 2 14 3 2 . . 178.594 . . 1 . 1 1 57 ARG C . . . . . . . . . . 533 . 27700 2 15 1 1 . . 7.813 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 2 15 2 1 . . 113.518 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 2 15 3 2 . . 175.265 . . 1 . 1 1 99 ASN C . . . . . . . . . . 292 . 27700 2 16 1 1 . . 8.583 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 2 16 2 1 . . 117.663 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 2 16 3 2 . . 177.670 . . 1 . 1 1 53 VAL C . . . . . . . . . . 225 . 27700 2 17 1 1 . . 8.426 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 2 17 2 1 . . 116.578 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 2 17 3 1 . . 177.190 . . 1 . . . . . . . . . . . . . . . . 267 . 27700 2 18 1 1 . . 8.365 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 2 18 2 1 . . 126.468 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 2 18 3 2 . . 175.857 . . 1 . 1 1 7 GLU C . . . . . . . . . . 400 . 27700 2 19 1 1 . . 7.939 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 2 19 2 1 . . 114.430 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 2 19 3 2 . . 175.464 . . 1 . 1 1 71 TYR C . . . . . . . . . . 539 . 27700 2 20 1 1 . . 7.938 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 2 20 2 1 . . 114.441 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 2 21 1 1 . . 8.652 . . 1 . 1 1 61 GLU H . . . . . . . . . . 37 . 27700 2 21 2 1 . . 119.128 . . 1 . 1 1 61 GLU N . . . . . . . . . . 38 . 27700 2 21 3 2 . . 175.109 . . 1 . 1 1 60 GLY C . . . . . . . . . . 534 . 27700 2 22 1 1 . . 8.307 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 2 22 2 1 . . 123.980 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 2 22 3 2 . . 177.423 . . 1 . 1 1 8 ALA C . . . . . . . . . . 274 . 27700 2 23 1 1 . . 8.807 . . 1 . 1 1 110 ALA H . . . . . . . . . . 41 . 27700 2 23 2 1 . . 126.129 . . 1 . 1 1 110 ALA N . . . . . . . . . . 42 . 27700 2 23 3 2 . . 174.630 . . 1 . 1 1 109 GLY C . . . . . . . . . . 498 . 27700 2 24 1 1 . . 7.689 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 2 24 2 1 . . 114.259 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 2 24 3 1 . . 176.951 . . 1 . . . . . . . . . . . . . . . . 293 . 27700 2 25 1 1 . . 7.679 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 2 25 2 1 . . 114.239 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 2 26 1 1 . . 8.254 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 2 26 2 1 . . 119.116 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 2 26 3 2 . . 179.239 . . 1 . 1 1 90 LYS C . . . . . . . . . . 487 . 27700 2 27 1 1 . . 8.259 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 2 27 2 1 . . 119.133 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 2 27 3 1 . . 177.549 . . 1 . . . . . . . . . . . . . . . . 298 . 27700 2 28 1 1 . . 8.336 . . 1 . 1 1 55 THR H . . . . . . . . . . 47 . 27700 2 28 2 1 . . 117.439 . . 1 . 1 1 55 THR N . . . . . . . . . . 48 . 27700 2 28 3 2 . . 179.596 . . 1 . 1 1 54 GLU C . . . . . . . . . . 264 . 27700 2 29 1 1 . . 8.811 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 2 29 2 1 . . 119.057 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 2 29 3 2 . . 175.805 . . 1 . 1 1 100 ASP C . . . . . . . . . . 261 . 27700 2 30 1 1 . . 7.692 . . 1 . . . . . . . . . . . . . . . . 51 . 27700 2 30 2 1 . . 113.446 . . 1 . . . . . . . . . . . . . . . . 52 . 27700 2 30 3 1 . . 176.933 . . 1 . . . . . . . . . . . . . . . . 304 . 27700 2 31 1 1 . . 8.315 . . 1 . 1 1 26 GLY H . . . . . . . . . . 53 . 27700 2 31 2 1 . . 109.379 . . 1 . 1 1 26 GLY N . . . . . . . . . . 54 . 27700 2 31 3 2 . . 174.802 . . 1 . 1 1 25 GLY C . . . . . . . . . . 497 . 27700 2 32 1 1 . . 7.430 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 2 32 2 1 . . 117.250 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 2 32 3 2 . . 178.032 . . 1 . 1 1 86 ARG C . . . . . . . . . . 419 . 27700 2 33 1 1 . . 8.491 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 2 33 2 1 . . 126.817 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 2 33 3 2 . . 176.244 . . 1 . 1 1 23 LYS C . . . . . . . . . . 314 . 27700 2 34 1 1 . . 8.485 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 2 34 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 2 35 1 1 . . 8.471 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 2 35 2 1 . . 125.491 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 2 35 3 2 . . 174.338 . . 1 . 1 1 22 THR C . . . . . . . . . . 395 . 27700 2 36 1 1 . . 8.411 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 2 36 2 1 . . 117.745 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 2 36 3 2 . . 175.381 . . 1 . 1 1 38 ASN C . . . . . . . . . . 451 . 27700 2 37 1 1 . . 8.098 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 2 37 2 1 . . 123.836 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 2 37 3 1 . . 174.785 . . 1 . 1 1 117 ASN C . . . . . . . . . . 371 . 27700 2 38 1 1 . . 8.609 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 2 38 2 1 . . 125.279 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 2 38 3 1 . . 176.087 . . 1 . 1 1 3 VAL C . . . . . . . . . . 327 . 27700 2 39 1 1 . . 7.182 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 2 39 2 1 . . 125.085 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 2 39 3 1 . . 176.119 . . 1 . 1 1 79 TRP C . . . . . . . . . . 330 . 27700 2 40 1 1 . . 8.156 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 2 40 2 1 . . 118.912 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 2 40 3 2 . . 178.866 . . 1 . 1 1 58 ARG C . . . . . . . . . . 258 . 27700 2 41 1 1 . . 7.092 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 2 41 2 1 . . 127.533 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 2 41 3 2 . . 175.020 . . 1 . 1 1 80 PHE C . . . . . . . . . . 331 . 27700 2 42 1 1 . . 8.368 . . 1 . 1 1 52 VAL H . . . . . . . . . . 75 . 27700 2 42 2 1 . . 123.690 . . 1 . 1 1 52 VAL N . . . . . . . . . . 76 . 27700 2 42 3 1 . . 180.489 . . 1 . 1 1 51 LEU C . . . . . . . . . . 340 . 27700 2 43 1 1 . . 8.287 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 2 43 2 1 . . 123.684 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 2 43 3 1 . . 176.661 . . 1 . 1 1 41 LYS C . . . . . . . . . . 342 . 27700 2 44 1 1 . . 8.292 . . 1 . 1 1 92 SER H . . . . . . . . . . 81 . 27700 2 44 2 1 . . 118.587 . . 1 . 1 1 92 SER N . . . . . . . . . . 82 . 27700 2 44 3 1 . . 179.246 . . 1 . 1 1 91 TYR C . . . . . . . . . . 343 . 27700 2 45 1 1 . . 8.435 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 2 45 2 1 . . 123.795 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 2 45 3 2 . . 176.709 . . 1 . 1 1 34 LYS C . . . . . . . . . . 231 . 27700 2 46 1 1 . . 8.433 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 2 46 2 1 . . 123.773 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 2 46 3 1 . . 177.700 . . 1 . . . . . . . . . . . . . . . . 345 . 27700 2 47 1 1 . . 8.046 . . 1 . 1 1 108 THR H . . . . . . . . . . 85 . 27700 2 47 2 1 . . 111.921 . . 1 . 1 1 108 THR N . . . . . . . . . . 86 . 27700 2 47 3 1 . . 173.378 . . 1 . 1 1 107 GLY C . . . . . . . . . . 347 . 27700 2 48 1 1 . . 8.627 . . 1 . 1 1 65 SER H . . . . . . . . . . 89 . 27700 2 48 2 1 . . 113.502 . . 1 . 1 1 65 SER N . . . . . . . . . . 90 . 27700 2 48 3 2 . . 171.983 . . 1 . 1 1 64 GLY C . . . . . . . . . . 535 . 27700 2 49 1 1 . . 8.575 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 2 49 2 1 . . 127.681 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 2 49 3 2 . . 175.256 . . 1 . 1 1 104 GLN C . . . . . . . . . . 366 . 27700 2 50 1 1 . . 8.568 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 2 50 2 1 . . 127.696 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 2 51 1 1 . . 8.234 . . 1 . 1 1 49 SER H . . . . . . . . . . 93 . 27700 2 51 2 1 . . 118.396 . . 1 . 1 1 49 SER N . . . . . . . . . . 94 . 27700 2 51 3 1 . . 177.578 . . 1 . . . . . . . . . . . . . . . . 356 . 27700 2 52 1 1 . . 7.310 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 2 52 2 1 . . 111.424 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 2 52 3 2 . . 177.247 . . 1 . 1 1 74 ALA C . . . . . . . . . . 448 . 27700 2 53 1 1 . . 8.218 . . 1 . 1 1 112 GLY H . . . . . . . . . . 97 . 27700 2 53 2 1 . . 108.085 . . 1 . 1 1 112 GLY N . . . . . . . . . . 98 . 27700 2 53 3 2 . . 174.747 . . 1 . 1 1 111 ASN C . . . . . . . . . . 407 . 27700 2 54 1 1 . . 8.529 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 2 54 2 1 . . 124.076 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 2 54 3 2 . . 176.497 . . 1 . 1 1 36 ARG C . . . . . . . . . . 524 . 27700 2 55 1 1 . . 8.991 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 2 55 2 1 . . 125.029 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 2 55 3 2 . . 175.621 . . 1 . 1 1 103 LEU C . . . . . . . . . . 239 . 27700 2 56 1 1 . . 8.448 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 2 56 2 1 . . 123.470 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 2 56 3 2 . . 176.700 . . 1 . 1 1 41 LYS C . . . . . . . . . . 342 . 27700 2 57 1 1 . . 8.333 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 2 57 2 1 . . 123.477 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 2 57 3 2 . . 176.742 . . 1 . 1 1 40 LYS C . . . . . . . . . . 564 . 27700 2 58 1 1 . . 8.180 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 2 58 2 1 . . 121.926 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 2 58 3 2 . . 177.184 . . 1 . 1 1 116 LEU C . . . . . . . . . . 445 . 27700 2 59 1 1 . . 8.078 . . 1 . 1 1 85 GLY H . . . . . . . . . . 109 . 27700 2 59 2 1 . . 110.004 . . 1 . 1 1 85 GLY N . . . . . . . . . . 110 . 27700 2 59 3 2 . . 174.866 . . 1 . 1 1 84 ASN C . . . . . . . . . . 513 . 27700 2 60 1 1 . . 9.395 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 2 60 2 1 . . 121.672 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 2 60 3 2 . . 174.564 . . 1 . 1 1 66 SER C . . . . . . . . . . 536 . 27700 2 61 1 1 . . 8.466 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 2 61 2 1 . . 120.514 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 2 61 3 2 . . 178.499 . . 1 . 1 1 14 ALA C . . . . . . . . . . 249 . 27700 2 62 1 1 . . 8.308 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 2 62 2 1 . . 123.227 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 2 62 3 1 . . 176.615 . . 1 . 1 1 20 LYS C . . . . . . . . . . 383 . 27700 2 63 1 1 . . 8.348 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 2 63 2 1 . . 118.918 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 2 64 1 1 . . 8.351 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 2 64 2 1 . . 118.851 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 2 64 3 2 . . 176.692 . . 1 . 1 1 11 VAL C . . . . . . . . . . 390 . 27700 2 65 1 1 . . 8.381 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 2 65 2 1 . . 121.617 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 2 65 3 1 . . 176.865 . . 1 . 1 1 10 PRO C . . . . . . . . . . 391 . 27700 2 66 1 1 . . 8.391 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 2 66 2 1 . . 120.511 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 2 66 3 1 . . 176.401 . . 1 . 1 1 21 VAL C . . . . . . . . . . 396 . 27700 2 67 1 1 . . 8.194 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 2 67 2 1 . . 123.625 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 2 67 3 2 . . 177.562 . . 1 . 1 1 28 ALA C . . . . . . . . . . 234 . 27700 2 68 1 1 . . 8.430 . . 1 . 1 1 7 GLU H . . . . . . . . . . 125 . 27700 2 68 2 1 . . 123.111 . . 1 . 1 1 7 GLU N . . . . . . . . . . 126 . 27700 2 68 3 2 . . 176.371 . . 1 . 1 1 6 GLU C . . . . . . . . . . 412 . 27700 2 69 1 1 . . 8.221 . . 1 . 1 1 47 LYS H . . . . . . . . . . 127 . 27700 2 69 2 1 . . 121.676 . . 1 . 1 1 47 LYS N . . . . . . . . . . 128 . 27700 2 69 3 1 . . 175.482 . . 1 . . . . . . . . . . . . . . . . 402 . 27700 2 70 1 1 . . 8.509 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 2 70 2 1 . . 120.491 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 2 70 3 1 . . 176.308 . . 1 . 1 1 42 LYS C . . . . . . . . . . 369 . 27700 2 71 1 1 . . 8.468 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 2 71 2 1 . . 123.077 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 2 71 3 2 . . 179.959 . . 1 . 1 1 96 LEU C . . . . . . . . . . 547 . 27700 2 72 1 1 . . 8.284 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 2 72 2 1 . . 118.861 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 2 72 3 2 . . 178.360 . . 1 . 1 1 82 GLN C . . . . . . . . . . 242 . 27700 2 73 1 1 . . 8.281 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 2 73 2 1 . . 118.865 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 2 73 3 1 . . 179.246 . . 1 . . . . . . . . . . . . . . . . 405 . 27700 2 74 1 1 . . 8.127 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 2 74 2 1 . . 116.340 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 2 74 3 2 . . 177.689 . . 1 . 1 1 110 ALA C . . . . . . . . . . 287 . 27700 2 75 1 1 . . 7.746 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 2 75 2 1 . . 120.429 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 2 75 3 1 . . 177.753 . . 1 . 1 1 50 GLN C . . . . . . . . . . 531 . 27700 2 76 1 1 . . 8.409 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 2 76 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 2 77 1 1 . . 8.418 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 2 77 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 2 77 3 2 . . 177.290 . . 1 . 1 1 5 LEU C . . . . . . . . . . 422 . 27700 2 78 1 1 . . 8.814 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 2 78 2 1 . . 121.367 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 2 78 3 2 . . 180.446 . . 1 . 1 1 88 TYR C . . . . . . . . . . 426 . 27700 2 79 1 1 . . 7.492 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 2 79 2 1 . . 105.028 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 2 79 3 2 . . 179.479 . . 1 . 1 1 59 LEU C . . . . . . . . . . 335 . 27700 2 80 1 1 . . 8.081 . . 1 . 1 1 17 MET H . . . . . . . . . . 145 . 27700 2 80 2 1 . . 120.390 . . 1 . 1 1 17 MET N . . . . . . . . . . 146 . 27700 2 80 3 2 . . 174.770 . . 1 . 1 1 16 GLY C . . . . . . . . . . 516 . 27700 2 81 1 1 . . 8.979 . . 1 . 1 1 86 ARG H . . . . . . . . . . 147 . 27700 2 81 2 1 . . 122.480 . . 1 . 1 1 86 ARG N . . . . . . . . . . 148 . 27700 2 81 3 2 . . 175.147 . . 1 . 1 1 85 GLY C . . . . . . . . . . 544 . 27700 2 82 1 1 . . 8.335 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 2 82 2 1 . . 124.020 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 2 82 3 2 . . 176.369 . . 1 . 1 1 4 GLU C . . . . . . . . . . 328 . 27700 2 83 1 1 . . 7.436 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 2 83 2 1 . . 121.345 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 2 83 3 1 . . 176.095 . . 1 . 1 1 87 THR C . . . . . . . . . . 425 . 27700 2 84 1 1 . . 8.391 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 2 84 2 1 . . 124.468 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 2 84 3 1 . . 174.945 . . 1 . 1 1 33 SER C . . . . . . . . . . 268 . 27700 2 85 1 1 . . 9.319 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 2 85 2 1 . . 120.237 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 2 85 3 2 . . 177.425 . . 1 . 1 1 70 ILE C . . . . . . . . . . 538 . 27700 2 86 1 1 . . 8.444 . . 1 . 1 1 46 GLY H . . . . . . . . . . 157 . 27700 2 86 2 1 . . 109.834 . . 1 . 1 1 46 GLY N . . . . . . . . . . 158 . 27700 2 86 3 1 . . 178.139 . . 1 . . . . . . . . . . . . . . . . 432 . 27700 2 87 1 1 . . 7.902 . . 1 . 1 1 50 GLN H . . . . . . . . . . 159 . 27700 2 87 2 1 . . 121.159 . . 1 . 1 1 50 GLN N . . . . . . . . . . 160 . 27700 2 87 3 1 . . 176.060 . . 1 . . . . . . . . . . . . . . . . 436 . 27700 2 88 1 1 . . 8.199 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 2 88 2 1 . . 125.083 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 2 88 3 2 . . 176.473 . . 1 . 1 1 17 MET C . . . . . . . . . . 417 . 27700 2 89 1 1 . . 8.536 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 2 89 2 1 . . 120.278 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 2 89 3 2 . . 179.151 . . 1 . 1 1 69 LYS C . . . . . . . . . . 495 . 27700 2 90 1 1 . . 9.089 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 2 90 2 1 . . 122.300 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 2 90 3 2 . . 175.634 . . 1 . 1 1 115 LYS C . . . . . . . . . . 475 . 27700 2 91 1 1 . . 9.042 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 2 91 2 1 . . 125.178 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 2 91 3 2 . . 178.733 . . 1 . 1 1 73 GLU C . . . . . . . . . . 246 . 27700 2 92 1 1 . . 8.631 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 2 92 2 1 . . 121.090 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 2 92 3 1 . . 176.479 . . 1 . 1 1 37 LYS C . . . . . . . . . . 551 . 27700 2 93 1 1 . . 8.083 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 2 93 2 1 . . 128.925 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 2 93 3 1 . . 174.800 . . 1 . 1 1 118 ARG C . . . . . . . . . . 559 . 27700 2 94 1 1 . . 8.592 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 2 94 2 1 . . 120.170 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 2 94 3 2 . . 177.741 . . 1 . 1 1 67 LEU C . . . . . . . . . . 537 . 27700 2 95 1 1 . . 8.547 . . 1 . 1 1 93 ILE H . . . . . . . . . . 173 . 27700 2 95 2 1 . . 122.189 . . 1 . 1 1 93 ILE N . . . . . . . . . . 174 . 27700 2 95 3 1 . . 175.648 . . 1 . 1 1 92 SER C . . . . . . . . . . 460 . 27700 2 96 1 1 . . 8.446 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 2 96 2 1 . . 120.998 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 2 96 3 1 . . 179.535 . . 1 . 1 1 56 ILE C . . . . . . . . . . 462 . 27700 2 97 1 1 . . 8.331 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 2 97 2 1 . . 120.182 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 2 97 3 2 . . 180.258 . . 1 . 1 1 95 ALA C . . . . . . . . . . 469 . 27700 2 98 1 1 . . 7.614 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 2 98 2 1 . . 122.081 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 2 98 3 2 . . 179.342 . . 1 . 1 1 94 LYS C . . . . . . . . . . 228 . 27700 2 99 1 1 . . 8.179 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 2 99 2 1 . . 121.042 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 2 99 3 2 . . 177.903 . . 1 . 1 1 18 ALA C . . . . . . . . . . 439 . 27700 2 100 1 1 . . 8.216 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 2 100 2 1 . . 116.984 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 2 100 3 2 . . 174.692 . . 1 . 1 1 12 THR C . . . . . . . . . . 387 . 27700 2 101 1 1 . . 8.839 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 2 101 2 1 . . 120.009 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 2 101 3 1 . . 174.086 . . 1 . 1 1 114 PHE C . . . . . . . . . . 474 . 27700 2 102 1 1 . . 8.780 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 2 102 2 1 . . 121.933 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 2 102 3 1 . . 173.674 . . 1 . 1 1 65 SER C . . . . . . . . . . 478 . 27700 2 103 1 1 . . 7.938 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 2 103 2 1 . . 120.994 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 2 103 3 1 . . 176.039 . . 1 . . . . . . . . . . . . . . . . 481 . 27700 2 104 1 1 . . 7.028 . . 1 . 1 1 64 GLY H . . . . . . . . . . 191 . 27700 2 104 2 1 . . 104.627 . . 1 . 1 1 64 GLY N . . . . . . . . . . 192 . 27700 2 104 3 2 . . 174.854 . . 1 . 1 1 63 ASN C . . . . . . . . . . 502 . 27700 2 105 1 1 . . 8.038 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 2 105 2 1 . . 120.046 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 2 105 3 1 . . 178.092 . . 1 . 1 1 89 LEU C . . . . . . . . . . 486 . 27700 2 106 1 1 . . 8.314 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 2 106 2 1 . . 121.943 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 2 106 3 1 . . 174.695 . . 1 . 1 1 43 ASN C . . . . . . . . . . 491 . 27700 2 107 1 1 . . 7.874 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 2 107 2 1 . . 120.636 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 2 107 3 2 . . 180.270 . . 1 . 1 1 68 ALA C . . . . . . . . . . 457 . 27700 2 108 1 1 . . 8.488 . . 1 . 1 1 25 GLY H . . . . . . . . . . 199 . 27700 2 108 2 1 . . 109.478 . . 1 . 1 1 25 GLY N . . . . . . . . . . 200 . 27700 2 108 3 2 . . 178.298 . . 1 . 1 1 24 ALA C . . . . . . . . . . 311 . 27700 2 109 1 1 . . 8.683 . . 1 . 1 1 109 GLY H . . . . . . . . . . 209 . 27700 2 109 2 1 . . 112.673 . . 1 . 1 1 109 GLY N . . . . . . . . . . 210 . 27700 2 109 3 2 . . 175.263 . . 1 . 1 1 108 THR C . . . . . . . . . . 348 . 27700 2 110 1 1 . . 6.742 . . 1 . 1 1 76 LYS H . . . . . . . . . . 205 . 27700 2 110 2 1 . . 117.569 . . 1 . 1 1 76 LYS N . . . . . . . . . . 206 . 27700 2 110 3 1 . . 176.025 . . 1 . 1 1 75 LYS C . . . . . . . . . . 360 . 27700 2 111 1 1 . . 8.704 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 2 111 2 1 . . 115.004 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 2 111 3 1 . . 177.124 . . 1 . 1 1 62 ARG C . . . . . . . . . . 501 . 27700 2 112 1 1 . . 8.043 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 2 112 2 1 . . 117.075 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 2 112 3 1 . . 176.565 . . 1 . 1 1 30 LEU C . . . . . . . . . . 511 . 27700 2 113 1 1 . . 8.368 . . 1 . 1 1 27 SER H . . . . . . . . . . 213 . 27700 2 113 2 1 . . 116.456 . . 1 . 1 1 27 SER N . . . . . . . . . . 214 . 27700 2 113 3 2 . . 174.362 . . 1 . 1 1 26 GLY C . . . . . . . . . . 307 . 27700 2 114 1 1 . . 8.190 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 2 114 2 1 . . 122.319 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 2 114 3 2 . . 177.575 . . 1 . 1 1 29 ALA C . . . . . . . . . . 527 . 27700 2 115 1 1 . . 8.005 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 2 115 2 1 . . 115.679 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 2 115 3 2 . . 177.004 . . 1 . 1 1 83 GLN C . . . . . . . . . . 543 . 27700 2 116 1 1 . . 8.384 . . 1 . 1 1 16 GLY H . . . . . . . . . . 217 . 27700 2 116 2 1 . . 110.161 . . 1 . 1 1 16 GLY N . . . . . . . . . . 218 . 27700 2 116 3 2 . . 177.595 . . 1 . 1 1 15 GLU C . . . . . . . . . . 380 . 27700 2 117 1 1 . . 8.351 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 2 117 2 1 . . 118.956 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 2 117 3 1 . . 177.294 . . 1 . . . . . . . . . . . . . . . . 518 . 27700 2 119 1 1 . . 7.488 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 2 119 2 1 . . 105.024 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 2 119 3 1 . . 175.088 . . 1 . 1 1 60 GLY C . . . . . . . . . . 534 . 27700 2 121 1 1 . . 7.970 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 2 121 2 1 . . 121.015 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 2 121 3 1 . . 180.634 . . 1 . 1 1 97 VAL C . . . . . . . . . . 404 . 27700 2 122 1 1 . . 9.248 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 2 122 2 1 . . 128.479 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 2 122 3 1 . . 179.278 . . 1 . 1 1 61 GLU C . . . . . . . . . . 279 . 27700 2 124 1 1 . . 8.362 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 2 124 2 1 . . 110.363 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 2 124 3 1 . . 173.403 . . 1 . 1 1 107 GLY C . . . . . . . . . . 347 . 27700 2 125 1 1 . . 8.368 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 2 125 2 1 . . 110.254 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 2 125 3 1 . . 176.455 . . 1 . 1 1 106 LYS C . . . . . . . . . . 554 . 27700 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 27700 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $CondSet13 _Spectral_peak_list.Experiment_ID 3 _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 . . 5180.54496951 . . . . . . . 27700 3 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 3 3 . . C 13 13C . . 16722.40802680 . . . . . . . 27700 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27700 3 2 1.0 . . 27700 3 3 1.0 . . 27700 3 4 1.0 . . 27700 3 5 1.0 . . 27700 3 6 1.0 . . 27700 3 7 1.0 . . 27700 3 8 1.0 . . 27700 3 9 1.0 . . 27700 3 10 1.0 . . 27700 3 11 1.0 . . 27700 3 12 1.0 . . 27700 3 13 1.0 . . 27700 3 14 1.0 . . 27700 3 15 1.0 . . 27700 3 16 1.0 . . 27700 3 17 1.0 . . 27700 3 18 1.0 . . 27700 3 19 1.0 . . 27700 3 20 1.0 . . 27700 3 21 1.0 . . 27700 3 22 1.0 . . 27700 3 23 1.0 . . 27700 3 24 1.0 . . 27700 3 25 1.0 . . 27700 3 26 1.0 . . 27700 3 27 1.0 . . 27700 3 28 1.0 . . 27700 3 29 1.0 . . 27700 3 30 1.0 . . 27700 3 31 1.0 . . 27700 3 32 1.0 . . 27700 3 33 1.0 . . 27700 3 34 1.0 . . 27700 3 35 1.0 . . 27700 3 36 1.0 . . 27700 3 37 1.0 . . 27700 3 38 1.0 . . 27700 3 39 1.0 . . 27700 3 40 1.0 . . 27700 3 41 1.0 . . 27700 3 42 1.0 . . 27700 3 43 1.0 . . 27700 3 44 1.0 . . 27700 3 45 1.0 . . 27700 3 46 1.0 . . 27700 3 47 1.0 . . 27700 3 48 1.0 . . 27700 3 49 1.0 . . 27700 3 50 1.0 . . 27700 3 51 1.0 . . 27700 3 52 1.0 . . 27700 3 53 1.0 . . 27700 3 54 1.0 . . 27700 3 55 1.0 . . 27700 3 56 1.0 . . 27700 3 57 1.0 . . 27700 3 58 1.0 . . 27700 3 59 1.0 . . 27700 3 60 1.0 . . 27700 3 61 1.0 . . 27700 3 62 1.0 . . 27700 3 63 1.0 . . 27700 3 64 1.0 . . 27700 3 65 1.0 . . 27700 3 66 1.0 . . 27700 3 67 1.0 . . 27700 3 68 1.0 . . 27700 3 69 1.0 . . 27700 3 70 1.0 . . 27700 3 71 1.0 . . 27700 3 72 1.0 . . 27700 3 73 1.0 . . 27700 3 74 1.0 . . 27700 3 75 1.0 . . 27700 3 76 1.0 . . 27700 3 77 1.0 . . 27700 3 78 1.0 . . 27700 3 79 1.0 . . 27700 3 80 1.0 . . 27700 3 81 1.0 . . 27700 3 82 1.0 . . 27700 3 83 1.0 . . 27700 3 84 1.0 . . 27700 3 85 1.0 . . 27700 3 86 1.0 . . 27700 3 87 1.0 . . 27700 3 88 1.0 . . 27700 3 89 1.0 . . 27700 3 90 1.0 . . 27700 3 91 1.0 . . 27700 3 92 1.0 . . 27700 3 93 1.0 . . 27700 3 94 1.0 . . 27700 3 95 1.0 . . 27700 3 96 1.0 . . 27700 3 97 1.0 . . 27700 3 98 1.0 . . 27700 3 99 1.0 . . 27700 3 100 1.0 . . 27700 3 101 1.0 . . 27700 3 102 1.0 . . 27700 3 103 1.0 . . 27700 3 104 1.0 . . 27700 3 105 1.0 . . 27700 3 106 1.0 . . 27700 3 107 1.0 . . 27700 3 108 1.0 . . 27700 3 109 1.0 . . 27700 3 110 1.0 . . 27700 3 111 1.0 . . 27700 3 112 1.0 . . 27700 3 113 1.0 . . 27700 3 114 1.0 . . 27700 3 115 1.0 . . 27700 3 116 1.0 . . 27700 3 117 1.0 . . 27700 3 118 1.0 . . 27700 3 119 1.0 . . 27700 3 120 1.0 . . 27700 3 121 1.0 . . 27700 3 122 1.0 . . 27700 3 123 1.0 . . 27700 3 124 1.0 . . 27700 3 125 1.0 . . 27700 3 126 1.0 . . 27700 3 127 1.0 . . 27700 3 128 1.0 . . 27700 3 129 1.0 . . 27700 3 130 1.0 . . 27700 3 131 1.0 . . 27700 3 132 1.0 . . 27700 3 133 1.0 . . 27700 3 134 1.0 . . 27700 3 135 1.0 . . 27700 3 136 1.0 . . 27700 3 137 1.0 . . 27700 3 138 1.0 . . 27700 3 139 1.0 . . 27700 3 140 1.0 . . 27700 3 141 1.0 . . 27700 3 142 1.0 . . 27700 3 143 1.0 . . 27700 3 144 1.0 . . 27700 3 145 1.0 . . 27700 3 146 1.0 . . 27700 3 147 1.0 . . 27700 3 148 1.0 . . 27700 3 149 1.0 . . 27700 3 150 1.0 . . 27700 3 151 1.0 . . 27700 3 152 1.0 . . 27700 3 153 1.0 . . 27700 3 154 1.0 . . 27700 3 155 1.0 . . 27700 3 156 1.0 . . 27700 3 157 1.0 . . 27700 3 158 1.0 . . 27700 3 159 1.0 . . 27700 3 160 1.0 . . 27700 3 161 1.0 . . 27700 3 162 1.0 . . 27700 3 163 1.0 . . 27700 3 164 1.0 . . 27700 3 165 1.0 . . 27700 3 166 1.0 . . 27700 3 167 1.0 . . 27700 3 168 1.0 . . 27700 3 169 1.0 . . 27700 3 170 1.0 . . 27700 3 171 1.0 . . 27700 3 172 1.0 . . 27700 3 173 1.0 . . 27700 3 174 1.0 . . 27700 3 175 1.0 . . 27700 3 176 1.0 . . 27700 3 177 1.0 . . 27700 3 178 1.0 . . 27700 3 179 1.0 . . 27700 3 180 1.0 . . 27700 3 181 1.0 . . 27700 3 182 1.0 . . 27700 3 183 1.0 . . 27700 3 184 1.0 . . 27700 3 185 1.0 . . 27700 3 186 1.0 . . 27700 3 187 1.0 . . 27700 3 188 1.0 . . 27700 3 189 1.0 . . 27700 3 190 1.0 . . 27700 3 191 1.0 . . 27700 3 192 1.0 . . 27700 3 193 1.0 . . 27700 3 194 1.0 . . 27700 3 195 1.0 . . 27700 3 196 1.0 . . 27700 3 197 1.0 . . 27700 3 198 1.0 . . 27700 3 199 1.0 . . 27700 3 200 1.0 . . 27700 3 201 1.0 . . 27700 3 202 1.0 . . 27700 3 203 1.0 . . 27700 3 204 1.0 . . 27700 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 -130812.0 . height 27700 3 1 -2217118.0 . volume 27700 3 2 93896.0 . height 27700 3 2 1299342.0 . volume 27700 3 3 -266114.0 . height 27700 3 3 -4075874.0 . volume 27700 3 4 200134.0 . height 27700 3 4 2853560.0 . volume 27700 3 5 138976.0 . height 27700 3 5 2195766.0 . volume 27700 3 6 -244890.0 . height 27700 3 6 -3698482.0 . volume 27700 3 7 217890.0 . height 27700 3 7 2961478.0 . volume 27700 3 8 -349094.0 . height 27700 3 8 -4505960.0 . volume 27700 3 9 88234.0 . height 27700 3 9 -716880.0 . volume 27700 3 10 989598.0 . height 27700 3 10 15223842.0 . volume 27700 3 11 -4508824.0 . height 27700 3 11 -52000132.0 . volume 27700 3 12 3559416.0 . height 27700 3 12 41882240.0 . volume 27700 3 13 -460254.0 . height 27700 3 13 -6399566.0 . volume 27700 3 14 299316.0 . height 27700 3 14 4231120.0 . volume 27700 3 15 152574.0 . height 27700 3 15 2262028.0 . volume 27700 3 16 -231634.0 . height 27700 3 16 -3327402.0 . volume 27700 3 17 -126126.0 . height 27700 3 17 -1878170.0 . volume 27700 3 18 72584.0 . height 27700 3 18 986504.0 . volume 27700 3 19 -281524.0 . height 27700 3 19 -3896320.0 . volume 27700 3 20 162100.0 . height 27700 3 20 2402910.0 . volume 27700 3 21 -3390294.0 . height 27700 3 21 -44952890.0 . volume 27700 3 22 3676030.0 . height 27700 3 22 45180922.0 . volume 27700 3 23 -273588.0 . height 27700 3 23 -3566176.0 . volume 27700 3 24 325102.0 . height 27700 3 24 4026072.0 . volume 27700 3 25 -468998.0 . height 27700 3 25 -6029716.0 . volume 27700 3 26 207880.0 . height 27700 3 26 3293154.0 . volume 27700 3 27 388682.0 . height 27700 3 27 5375212.0 . volume 27700 3 28 -271474.0 . height 27700 3 28 -3628312.0 . volume 27700 3 29 -322860.0 . height 27700 3 29 -4331900.0 . volume 27700 3 30 229936.0 . height 27700 3 30 3024872.0 . volume 27700 3 31 -1495210.0 . height 27700 3 31 -21435106.0 . volume 27700 3 32 -4107214.0 . height 27700 3 32 -44845918.0 . volume 27700 3 33 3259366.0 . height 27700 3 33 36706850.0 . volume 27700 3 34 275972.0 . height 27700 3 34 3921320.0 . volume 27700 3 35 -280320.0 . height 27700 3 35 -3755358.0 . volume 27700 3 36 -355280.0 . height 27700 3 36 -4682128.0 . volume 27700 3 37 242864.0 . height 27700 3 37 3139122.0 . volume 27700 3 38 1660034.0 . height 27700 3 38 27696022.0 . volume 27700 3 39 -3381676.0 . height 27700 3 39 -44664786.0 . volume 27700 3 40 -224096.0 . height 27700 3 40 -2954860.0 . volume 27700 3 41 188926.0 . height 27700 3 41 2445348.0 . volume 27700 3 42 262696.0 . height 27700 3 42 4352040.0 . volume 27700 3 43 -294460.0 . height 27700 3 43 -4512020.0 . volume 27700 3 44 183876.0 . height 27700 3 44 2508980.0 . volume 27700 3 45 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27700 3 61 2138732.0 . volume 27700 3 62 -237184.0 . height 27700 3 62 -3446304.0 . volume 27700 3 63 144226.0 . height 27700 3 63 2104434.0 . volume 27700 3 64 -87512.0 . height 27700 3 64 -1285468.0 . volume 27700 3 65 90330.0 . height 27700 3 65 1347798.0 . volume 27700 3 66 -227750.0 . height 27700 3 66 -3270706.0 . volume 27700 3 67 1823374.0 . height 27700 3 67 23096006.0 . volume 27700 3 68 360258.0 . height 27700 3 68 4920820.0 . volume 27700 3 69 -360900.0 . height 27700 3 69 -4823002.0 . volume 27700 3 70 133300.0 . height 27700 3 70 1953418.0 . volume 27700 3 71 -151990.0 . height 27700 3 71 -2075040.0 . volume 27700 3 72 114260.0 . height 27700 3 72 1607680.0 . volume 27700 3 73 -164102.0 . height 27700 3 73 -2110938.0 . volume 27700 3 74 -111956.0 . height 27700 3 74 -1434446.0 . volume 27700 3 75 197850.0 . height 27700 3 75 2790028.0 . volume 27700 3 76 -264000.0 . height 27700 3 76 -4022864.0 . volume 27700 3 77 -760612.0 . height 27700 3 77 -9793412.0 . volume 27700 3 78 1299554.0 . height 27700 3 78 17570460.0 . volume 27700 3 79 -560690.0 . height 27700 3 79 -13802972.0 . volume 27700 3 80 -252558.0 . height 27700 3 80 -3518970.0 . volume 27700 3 81 150288.0 . height 27700 3 81 2072914.0 . volume 27700 3 82 -4329314.0 . height 27700 3 82 -52692926.0 . volume 27700 3 83 3102902.0 . height 27700 3 83 39130830.0 . volume 27700 3 84 -160674.0 . height 27700 3 84 -2301032.0 . volume 27700 3 85 -128334.0 . height 27700 3 85 -1818686.0 . volume 27700 3 86 73586.0 . height 27700 3 86 970292.0 . volume 27700 3 87 3220448.0 . height 27700 3 87 35709556.0 . volume 27700 3 88 -4303862.0 . height 27700 3 88 -48048220.0 . volume 27700 3 89 -1972786.0 . height 27700 3 89 -32953988.0 . volume 27700 3 90 3242836.0 . height 27700 3 90 37559854.0 . volume 27700 3 91 -1806494.0 . height 27700 3 91 -34357126.0 . volume 27700 3 92 -2483562.0 . height 27700 3 92 -35043090.0 . volume 27700 3 93 1544736.0 . height 27700 3 93 22664330.0 . volume 27700 3 94 3643210.0 . height 27700 3 94 44124698.0 . volume 27700 3 95 -4685032.0 . height 27700 3 95 -57342502.0 . volume 27700 3 96 678562.0 . height 27700 3 96 8517754.0 . volume 27700 3 97 -722520.0 . height 27700 3 97 -9416556.0 . volume 27700 3 98 239424.0 . height 27700 3 98 3153618.0 . volume 27700 3 99 -372958.0 . height 27700 3 99 -5422670.0 . volume 27700 3 100 950130.0 . height 27700 3 100 12478670.0 . volume 27700 3 101 -1254590.0 . height 27700 3 101 -16431294.0 . volume 27700 3 102 133252.0 . height 27700 3 102 1910184.0 . volume 27700 3 103 -204710.0 . height 27700 3 103 -3009344.0 . volume 27700 3 104 1918094.0 . height 27700 3 104 35427526.0 . volume 27700 3 105 -3301528.0 . height 27700 3 105 -48418888.0 . volume 27700 3 106 103162.0 . height 27700 3 106 1509814.0 . volume 27700 3 107 -173340.0 . height 27700 3 107 -2685882.0 . volume 27700 3 108 -481764.0 . height 27700 3 108 -6285876.0 . volume 27700 3 109 2599680.0 . height 27700 3 109 30318266.0 . volume 27700 3 110 -4838092.0 . height 27700 3 110 -53629350.0 . volume 27700 3 111 -263948.0 . height 27700 3 111 -3498040.0 . volume 27700 3 112 102242.0 . height 27700 3 112 1456520.0 . volume 27700 3 113 -4303310.0 . height 27700 3 113 -47958944.0 . volume 27700 3 114 2981672.0 . height 27700 3 114 35225302.0 . volume 27700 3 115 -263820.0 . height 27700 3 115 -3413464.0 . volume 27700 3 116 160522.0 . height 27700 3 116 2225902.0 . volume 27700 3 117 -2037696.0 . height 27700 3 117 -25045530.0 . volume 27700 3 118 1535554.0 . height 27700 3 118 19107926.0 . volume 27700 3 119 -147046.0 . height 27700 3 119 -2135312.0 . volume 27700 3 120 82000.0 . height 27700 3 120 1145444.0 . volume 27700 3 121 -162246.0 . height 27700 3 121 -2489394.0 . volume 27700 3 122 -221228.0 . height 27700 3 122 -3183388.0 . volume 27700 3 123 145232.0 . height 27700 3 123 2063074.0 . volume 27700 3 124 4024832.0 . height 27700 3 124 45818958.0 . volume 27700 3 125 118596.0 . height 27700 3 125 2089042.0 . volume 27700 3 126 -184522.0 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. . 27700 3 64 3 53.311 . 168.471332378000 . . . . . . . . . . . 27700 3 65 1 7.089 . 29.485899864200 . . . . . . . . . . . 27700 3 65 2 127.529 . 27.498237870500 . . . . . . . . . . . 27700 3 65 3 41.091 . 177.029781916000 . . . . . . . . . . . 27700 3 66 1 8.361 . 25.421187917600 . . . . . . . . . . . 27700 3 66 2 123.690 . 27.190271930700 . . . . . . . . . . . 27700 3 66 3 68.591 . 160.424580741000 . . . . . . . . . . . 27700 3 67 1 8.429 . 21.934520634900 . . . . . . . . . . . 27700 3 67 2 123.791 . 23.896951747000 . . . . . . . . . . . 27700 3 67 3 30.820 . 162.322983694000 . . . . . . . . . . . 27700 3 68 1 8.040 . 25.316073400200 . . . . . . . . . . . 27700 3 68 2 111.910 . 25.058915200500 . . . . . . . . . . . 27700 3 68 3 70.149 . 166.323496945000 . . . . . . . . . . . 27700 3 69 1 8.041 . 26.319346322500 . . . . . . . . . . . 27700 3 69 2 111.904 . 24.985915866600 . . . . . . . . . . . 27700 3 69 3 61.328 . 159.867780663000 . . . . . . . . . . . 27700 3 70 1 8.621 . 30.204324369800 . . . . . . . . . . . 27700 3 70 2 113.505 . 28.766386086100 . . . . . . . . . . . 27700 3 70 3 66.802 . 167.651768512000 . . . . . . . . . . . 27700 3 71 1 8.622 . 29.579429637400 . . . . . . . . . . . 27700 3 71 2 113.508 . 24.935987077000 . . . . . . . . . . . 27700 3 71 3 57.248 . 156.213009238000 . . . . . . . . . . . 27700 3 72 1 8.570 . 31.482394239500 . . . . . . . . . . . 27700 3 72 2 127.667 . 25.768850939200 . . . . . . . . . . . 27700 3 72 3 32.836 . 168.181781386000 . . . . . . . . . . . 27700 3 73 1 8.570 . 28.272568270900 . . . . . . . . . . . 27700 3 73 2 127.669 . 24.783058637600 . . . . . . . . . . . 27700 3 73 3 61.871 . 148.807530818000 . . . . . . . . . . . 27700 3 74 1 8.230 . 24.609915094400 . . . . . . . . . . . 27700 3 74 2 118.388 . 26.497294763700 . . . . . . . . . . . 27700 3 74 3 62.497 . 131.727261687000 . . . . . . . . . . . 27700 3 75 1 7.302 . 24.780790071700 . . . . . . . . . . . 27700 3 75 2 111.394 . 25.670973294600 . . . . . . . . . . . 27700 3 75 3 30.789 . 165.769687066000 . . . . . . . . . . . 27700 3 76 1 7.303 . 24.266291137100 . . . . . . . . . . . 27700 3 76 2 111.401 . 26.748229973900 . . . . . . . . . . . 27700 3 76 3 56.615 . 184.299455439000 . . . . . . . . . . . 27700 3 77 1 8.213 . 25.506880952100 . . . . . . . . . . . 27700 3 77 2 108.079 . 23.337921470900 . . . . . . . . . . . 27700 3 77 3 44.797 . 164.442536823000 . . . . . . . . . . . 27700 3 78 1 8.523 . 24.053506644000 . . . . . . . . . . . 27700 3 78 2 124.067 . 24.295435139100 . . . . . . . . . . . 27700 3 78 3 33.018 . 163.792168416000 . . . . . . . . . . . 27700 3 79 1 8.522 . 24.547732276200 . . . . . . . . . . . 27700 3 79 2 124.068 . 25.338860759200 . . . . . . . . . . . 27700 3 79 3 56.700 . 341.050202233000 . . . . . . . . . . . 27700 3 80 1 8.985 . 25.890540422500 . . . . . . . . . . . 27700 3 80 2 125.022 . 25.187955296600 . . . . . . . . . . . 27700 3 80 3 55.002 . 167.167106998000 . . . . . . . . . . . 27700 3 81 1 8.985 . 24.741606378000 . . . . . . . . . . . 27700 3 81 2 125.025 . 24.397616989700 . . . . . . . . . . . 27700 3 81 3 29.271 . 172.595315952000 . . . . . . . . . . . 27700 3 82 1 8.187 . 22.466567049700 . . . . . . . . . . . 27700 3 82 2 121.957 . 24.431017628300 . . . . . . . . . . . 27700 3 82 3 54.751 . 151.030495015000 . . . . . . . . . . . 27700 3 83 1 8.188 . 21.830769028600 . . . . . . . . . . . 27700 3 83 2 121.952 . 24.201861700500 . . . . . . . . . . . 27700 3 83 3 42.397 . 161.217108219000 . . . . . . . . . . . 27700 3 84 1 8.072 . 26.980869290300 . . . . . . . . . . . 27700 3 84 2 109.993 . 26.586219659800 . . . . . . . . . . . 27700 3 84 3 48.142 . 162.081774262000 . . . . . . . . . . . 27700 3 85 1 9.390 . 27.292635201000 . . . . . . . . . . . 27700 3 85 2 121.666 . 26.408455951700 . . . . . . . . . . . 27700 3 85 3 58.931 . 168.804739630000 . . . . . . . . . . . 27700 3 86 1 9.393 . 26.120361304100 . . . . . . . . . . . 27700 3 86 2 121.676 . 23.085953251300 . . . . . . . . . . . 27700 3 86 3 40.630 . 177.578981903000 . . . . . . . . . . . 27700 3 87 1 8.460 . 20.332248290900 . . . . . . . . . . . 27700 3 87 2 120.511 . 21.103694217200 . . . . . . . . . . . 27700 3 87 3 29.905 . 159.312849459000 . . . . . . . . . . . 27700 3 88 1 8.460 . 20.446392094200 . . . . . . . . . . . 27700 3 88 2 120.511 . 21.314255975000 . . . . . . . . . . . 27700 3 88 3 57.429 . 152.135872123000 . . . . . . . . . . . 27700 3 89 1 8.301 . 23.363021815700 . . . . . . . . . . . 27700 3 89 2 123.162 . 29.070607366600 . . . . . . . . . . . 27700 3 89 3 62.330 . 160.866756503000 . . . . . . . . . . . 27700 3 90 1 8.345 . 22.852100522800 . . . . . . . . . . . 27700 3 90 2 118.849 . 20.828483285100 . . . . . . . . . . . 27700 3 90 3 69.898 . 162.871311540000 . . . . . . . . . . . 27700 3 91 1 8.346 . 24.808559385000 . . . . . . . . . . . 27700 3 91 2 118.797 . 31.459183447800 . . . . . . . . . . . 27700 3 91 3 61.635 . 211.155932883000 . . . . . . . . . . . 27700 3 92 1 8.379 . 21.159194591600 . . . . . . . . . . . 27700 3 92 2 121.617 . 23.877927156500 . . . . . . . . . . . 27700 3 92 3 62.308 . 265.509787212000 . . . . . . . . . . . 27700 3 93 1 8.376 . 22.253101101000 . . . . . . . . . . . 27700 3 93 2 121.616 . 24.802212354300 . . . . . . . . . . . 27700 3 93 3 32.794 . 318.924718876000 . . . . . . . . . . . 27700 3 94 1 8.385 . 22.682077365000 . . . . . . . . . . . 27700 3 94 2 120.508 . 21.430297368900 . . . . . . . . . . . 27700 3 94 3 69.889 . 171.053618890000 . . . . . . . . . . . 27700 3 95 1 8.385 . 22.630116379800 . . . . . . . . . . . 27700 3 95 2 120.509 . 21.000995861900 . . . . . . . . . . . 27700 3 95 3 61.918 . 183.663290480000 . . . . . . . . . . . 27700 3 96 1 8.503 . 27.447495973000 . . . . . . . . . . . 27700 3 96 2 120.486 . 23.070027689100 . . . . . . . . . . . 27700 3 96 3 38.680 . 159.108519155000 . . . . . . . . . . . 27700 3 97 1 8.503 . 28.622325328100 . . . . . . . . . . . 27700 3 97 2 120.500 . 24.251618322000 . . . . . . . . . . . 27700 3 97 3 53.088 . 154.270376250000 . . . . . . . . . . . 27700 3 99 1 8.279 . 25.939264493700 . . . . . . . . . . . 27700 3 99 2 118.861 . 24.393054531300 . . . . . . . . . . . 27700 3 99 3 58.207 . 195.012343767000 . . . . . . . . . . . 27700 3 100 1 8.122 . 25.099711265500 . . . . . . . . . . . 27700 3 100 2 116.339 . 24.618681010200 . . . . . . . . . . . 27700 3 100 3 39.430 . 156.203041906000 . . . . . . . . . . . 27700 3 101 1 8.121 . 25.278422981500 . . . . . . . . . . . 27700 3 101 2 116.332 . 24.592683605900 . . . . . . . . . . . 27700 3 101 3 52.873 . 158.796541667000 . . . . . . . . . . . 27700 3 102 1 7.742 . 25.543679551400 . . . . . . . . . . . 27700 3 102 2 120.436 . 26.195569922600 . . . . . . . . . . . 27700 3 102 3 41.919 . 174.841454197000 . . . . . . . . . . . 27700 3 103 1 7.741 . 26.725323461900 . . . . . . . . . . . 27700 3 103 2 120.437 . 27.169439573600 . . . . . . . . . . . 27700 3 103 3 57.668 . 162.235271173000 . . . . . . . . . . . 27700 3 104 1 8.411 . 21.907432777100 . . . . . . . . . . . 27700 3 104 2 122.804 . 42.525124921700 . . . . . . . . . . . 27700 3 104 3 30.341 . 163.945665328000 . . . . . . . . . . . 27700 3 105 1 8.404 . 20.370920892900 . . . . . . . . . . . 27700 3 105 2 122.804 . 30.680896917700 . . . . . . . . . . . 27700 3 105 3 56.480 . 147.786128481000 . . . . . . . . . . . 27700 3 106 1 8.809 . 25.129184217700 . . . . . . . . . . . 27700 3 106 2 121.365 . 25.892812072200 . . . . . . . . . . . 27700 3 106 3 42.178 . 195.500743030000 . . . . . . . . . . . 27700 3 107 1 8.808 . 26.155796992300 . . . . . . . . . . . 27700 3 107 2 121.360 . 26.004377091800 . . . . . . . . . . . 27700 3 107 3 58.227 . 200.094686304000 . . . . . . . . . . . 27700 3 108 1 7.489 . 26.289873370300 . . . . . . . . . . . 27700 3 108 2 105.025 . 25.981736968300 . . . . . . . . . . . 27700 3 108 3 47.610 . 152.778266664000 . . . . . . . . . . . 27700 3 109 1 8.075 . 22.653456232200 . . . . . . . . . . . 27700 3 109 2 120.391 . 21.220424284100 . . . . . . . . . . . 27700 3 109 3 32.663 . 165.449735712000 . . . . . . . . . . . 27700 3 110 1 8.075 . 22.585481041800 . . . . . . . . . . . 27700 3 110 2 120.388 . 20.628165537600 . . . . . . . . . . . 27700 3 110 3 55.645 . 149.726768002000 . . . . . . . . . . . 27700 3 111 1 8.973 . 25.618469297200 . . . . . . . . . . . 27700 3 111 2 122.475 . 26.042770609400 . . . . . . . . . . . 27700 3 111 3 61.036 . 150.472573612000 . . . . . . . . . . . 27700 3 112 1 8.973 . 25.256786768000 . . . . . . . . . . . 27700 3 112 2 122.468 . 23.111175898500 . . . . . . . . . . . 27700 3 112 3 29.213 . 180.516354615000 . . . . . . . . . . . 27700 3 113 1 8.329 . 20.555595344900 . . . . . . . . . . . 27700 3 113 2 124.019 . 21.437958855600 . . . . . . . . . . . 27700 3 113 3 55.060 . 152.315284097000 . . . . . . . . . . . 27700 3 114 1 8.329 . 21.377430729000 . . . . . . . . . . . 27700 3 114 2 124.018 . 21.548490865900 . . . . . . . . . . . 27700 3 114 3 42.401 . 168.121977395000 . . . . . . . . . . . 27700 3 115 1 7.430 . 25.107548004200 . . . . . . . . . . . 27700 3 115 2 121.343 . 25.418058149700 . . . . . . . . . . . 27700 3 115 3 57.857 . 147.841945540000 . . . . . . . . . . . 27700 3 116 1 7.431 . 26.579832703600 . . . . . . . . . . . 27700 3 116 2 121.341 . 26.303347241000 . . . . . . . . . . . 27700 3 116 3 34.916 . 170.104479710000 . . . . . . . . . . . 27700 3 117 1 8.385 . 23.934422288000 . . . . . . . . . . . 27700 3 117 2 124.459 . 23.434852190200 . . . . . . . . . . . 27700 3 117 3 56.371 . 151.542815875000 . . . . . . . . . . . 27700 3 118 1 8.385 . 24.039366441500 . . . . . . . . . . . 27700 3 118 2 124.460 . 23.411265141300 . . . . . . . . . . . 27700 3 118 3 32.886 . 163.017706728000 . . . . . . . . . . . 27700 3 119 1 9.313 . 27.051229575100 . . . . . . . . . . . 27700 3 119 2 120.217 . 27.537965691900 . . . . . . . . . . . 27700 3 119 3 60.762 . 176.847379742000 . . . . . . . . . . . 27700 3 120 1 9.313 . 23.131326931300 . . . . . . . . . . . 27700 3 120 2 120.237 . 23.234706610900 . . . . . . . . . . . 27700 3 120 3 38.096 . 313.841379606000 . . . . . . . . . . . 27700 3 121 1 8.440 . 28.535780474200 . . . . . . . . . . . 27700 3 121 2 109.834 . 31.629199585000 . . . . . . . . . . . 27700 3 121 3 45.873 . 162.843776786000 . . . . . . . . . . . 27700 3 122 1 7.895 . 28.956068180000 . . . . . . . . . . . 27700 3 122 2 121.149 . 26.979279752300 . . . . . . . . . . . 27700 3 122 3 58.771 . 161.437386254000 . . . . . . . . . . . 27700 3 123 1 7.895 . 27.007786784200 . . . . . . . . . . . 27700 3 123 2 121.146 . 26.135397122700 . . . . . . . . . . . 27700 3 123 3 27.993 . 166.974737493000 . . . . . . . . . . . 27700 3 124 1 8.194 . 21.415932967200 . . . . . . . . . . . 27700 3 124 2 125.082 . 21.610127095900 . . . . . . . . . . . 27700 3 124 3 18.899 . 152.563969028000 . . . . . . . . . . . 27700 3 125 1 8.529 . 39.556620233700 . . . . . . . . . . . 27700 3 125 2 120.269 . 34.370978811000 . . . . . . . . . . . 27700 3 125 3 38.820 . 204.431970781000 . . . . . . . . . . . 27700 3 126 1 8.530 . 27.837118179300 . . . . . . . . . . . 27700 3 126 2 120.278 . 24.931252450400 . . . . . . . . . . . 27700 3 126 3 65.352 . 165.955577806000 . . . . . . . . . . . 27700 3 127 1 9.083 . 23.593524152900 . . . . . . . . . . . 27700 3 127 2 122.308 . 24.767864790400 . . . . . . . . . . . 27700 3 127 3 41.416 . 180.012007621000 . . . . . . . . . . . 27700 3 128 1 9.084 . 25.231743276800 . . . . . . . . . . . 27700 3 128 2 122.305 . 25.599781727300 . . . . . . . . . . . 27700 3 128 3 56.131 . 167.215448558000 . . . . . . . . . . . 27700 3 129 1 9.036 . 25.622558030400 . . . . . . . . . . . 27700 3 129 2 125.166 . 25.186147530000 . . . . . . . . . . . 27700 3 129 3 54.816 . 141.819683604000 . . . . . . . . . . . 27700 3 130 1 9.035 . 26.229053463200 . . . . . . . . . . . 27700 3 130 2 125.173 . 25.825149953700 . . . . . . . . . . . 27700 3 130 3 18.724 . 169.081831457000 . . . . . . . . . . . 27700 3 131 1 8.626 . 27.579187256500 . . . . . . . . . . . 27700 3 131 2 121.087 . 21.935869406400 . . . . . . . . . . . 27700 3 131 3 38.841 . 157.350281808000 . . . . . . . . . . . 27700 3 132 1 8.626 . 27.300642303600 . . . . . . . . . . . 27700 3 132 2 121.087 . 21.528519350000 . . . . . . . . . . . 27700 3 132 3 53.160 . 154.572386407000 . . . . . . . . . . . 27700 3 133 1 8.077 . 21.109448337000 . . . . . . . . . . . 27700 3 133 2 128.923 . 21.421861125200 . . . . . . . . . . . 27700 3 133 3 33.457 . 162.151545585000 . . . . . . . . . . . 27700 3 134 1 8.077 . 21.278449311500 . . . . . . . . . . . 27700 3 134 2 128.923 . 21.449752380100 . . . . . . . . . . . 27700 3 134 3 57.825 . 147.713865325000 . . . . . . . . . . . 27700 3 135 1 8.587 . 24.013982222600 . . . . . . . . . . . 27700 3 135 2 120.168 . 24.427660347600 . . . . . . . . . . . 27700 3 135 3 55.806 . 158.845879960000 . . . . . . . . . . . 27700 3 136 1 8.587 . 23.881268755700 . . . . . . . . . . . 27700 3 136 2 120.172 . 24.627719842800 . . . . . . . . . . . 27700 3 136 3 18.169 . 154.097941408000 . . . . . . . . . . . 27700 3 137 1 8.542 . 28.656057377400 . . . . . . . . . . . 27700 3 137 2 122.174 . 25.026633655500 . . . . . . . . . . . 27700 3 137 3 37.770 . 167.908676492000 . . . . . . . . . . . 27700 3 138 1 8.441 . 23.991323825800 . . . . . . . . . . . 27700 3 138 2 120.987 . 24.605079719200 . . . . . . . . . . . 27700 3 138 3 59.623 . 160.458594262000 . . . . . . . . . . . 27700 3 139 1 8.440 . 27.526715179800 . . . . . . . . . . . 27700 3 139 2 120.989 . 28.893704499800 . . . . . . . . . . . 27700 3 139 3 30.349 . 185.574775555000 . . . . . . . . . . . 27700 3 140 1 8.326 . 24.062365566100 . . . . . . . . . . . 27700 3 140 2 120.184 . 29.773312039200 . . . . . . . . . . . 27700 3 140 3 42.519 . 175.898489745000 . . . . . . . . . . . 27700 3 141 1 8.325 . 27.980223843200 . . . . . . . . . . . 27700 3 141 2 120.189 . 29.694114648700 . . . . . . . . . . . 27700 3 141 3 56.076 . 174.388937328000 . . . . . . . . . . . 27700 3 142 1 7.608 . 24.600545080700 . . . . . . . . . . . 27700 3 142 2 122.081 . 25.454127396000 . . . . . . . . . . . 27700 3 142 3 55.032 . 153.283112025000 . . . . . . . . . . . 27700 3 143 1 7.609 . 23.903416060800 . . . . . . . . . . . 27700 3 143 2 122.078 . 25.162388312900 . . . . . . . . . . . 27700 3 143 3 18.065 . 161.862492960000 . . . . . . . . . . . 27700 3 144 1 8.173 . 21.277086400400 . . . . . . . . . . . 27700 3 144 2 121.032 . 24.406569738200 . . . . . . . . . . . 27700 3 144 3 56.325 . 152.075569765000 . . . . . . . . . . . 27700 3 145 1 8.173 . 21.065664818400 . . . . . . . . . . . 27700 3 145 2 121.036 . 24.114572402700 . . . . . . . . . . . 27700 3 145 3 32.924 . 155.543204534000 . . . . . . . . . . . 27700 3 146 1 8.211 . 22.869307275200 . . . . . . . . . . . 27700 3 146 2 116.981 . 20.391778543700 . . . . . . . . . . . 27700 3 146 3 61.623 . 154.407925430000 . . . . . . . . . . . 27700 3 147 1 8.211 . 22.677988631700 . . . . . . . . . . . 27700 3 147 2 116.981 . 20.732327323000 . . . . . . . . . . . 27700 3 147 3 70.059 . 173.656213842000 . . . . . . . . . . . 27700 3 148 1 8.832 . 27.812585779800 . . . . . . . . . . . 27700 3 148 2 120.008 . 24.334517329600 . . . . . . . . . . . 27700 3 148 3 37.437 . 165.576320827000 . . . . . . . . . . . 27700 3 149 1 8.833 . 28.490122952800 . . . . . . . . . . . 27700 3 149 2 120.005 . 24.292336110800 . . . . . . . . . . . 27700 3 149 3 53.400 . 157.990184516000 . . . . . . . . . . . 27700 3 150 1 8.773 . 26.131946048400 . . . . . . . . . . . 27700 3 150 2 121.923 . 24.917392907000 . . . . . . . . . . . 27700 3 150 3 65.433 . 164.497107965000 . . . . . . . . . . . 27700 3 151 1 8.774 . 26.550189387500 . . . . . . . . . . . 27700 3 151 2 121.927 . 25.310883420100 . . . . . . . . . . . 27700 3 151 3 56.816 . 186.670185332000 . . . . . . . . . . . 27700 3 152 1 7.965 . 25.816602496100 . . . . . . . . . . . 27700 3 152 2 121.010 . 25.143880227100 . . . . . . . . . . . 27700 3 152 3 28.242 . 169.167550511000 . . . . . . . . . . . 27700 3 153 1 7.964 . 25.869926392300 . . . . . . . . . . . 27700 3 153 2 121.015 . 26.521656569700 . . . . . . . . . . . 27700 3 153 3 58.923 . 153.003029999000 . . . . . . . . . . . 27700 3 154 1 7.024 . 29.800391597000 . . . . . . . . . . . 27700 3 154 2 104.614 . 28.393297509500 . . . . . . . . . . . 27700 3 154 3 44.813 . 155.687232480000 . . . . . . . . . . . 27700 3 155 1 8.032 . 26.463985261400 . . . . . . . . . . . 27700 3 155 2 120.040 . 24.988842726700 . . . . . . . . . . . 27700 3 155 3 60.860 . 154.030661918000 . . . . . . . . . . . 27700 3 156 1 8.032 . 24.849787445300 . . . . . . . . . . . 27700 3 156 2 120.038 . 25.538489833700 . . . . . . . . . . . 27700 3 156 3 32.222 . 172.492652434000 . . . . . . . . . . . 27700 3 157 1 8.308 . 25.764130419300 . . . . . . . . . . . 27700 3 157 2 121.932 . 25.853902049900 . . . . . . . . . . . 27700 3 157 3 54.098 . 210.420343788000 . . . . . . . . . . . 27700 3 158 1 8.309 . 24.868357108900 . . . . . . . . . . . 27700 3 158 2 121.942 . 26.710697297500 . . . . . . . . . . . 27700 3 158 3 28.738 . 166.478364364000 . . . . . . . . . . . 27700 3 159 1 7.869 . 27.018008617400 . . . . . . . . . . . 27700 3 159 2 120.632 . 25.832897524600 . . . . . . . . . . . 27700 3 159 3 58.680 . 156.857895612000 . . . . . . . . . . . 27700 3 160 1 7.868 . 25.536864996000 . . . . . . . . . . . 27700 3 160 2 120.638 . 25.017853075200 . . . . . . . . . . . 27700 3 160 3 32.672 . 162.831317621000 . . . . . . . . . . . 27700 3 161 1 8.482 . 23.059944463200 . . . . . . . . . . . 27700 3 161 2 109.476 . 21.025013331400 . . . . . . . . . . . 27700 3 161 3 45.204 . 145.468225447000 . . . . . . . . . . . 27700 3 162 1 8.678 . 27.159069914600 . . . . . . . . . . . 27700 3 162 2 112.665 . 22.348298426000 . . . . . . . . . . . 27700 3 162 3 45.695 . 150.621834407000 . . . . . . . . . . . 27700 3 163 1 8.700 . 28.064383602700 . . . . . . . . . . . 27700 3 163 2 115.010 . 25.695765521200 . . . . . . . . . . . 27700 3 163 3 51.844 . 165.122308859000 . . . . . . . . . . . 27700 3 164 1 8.699 . 27.919233572200 . . . . . . . . . . . 27700 3 164 2 115.003 . 25.689223128100 . . . . . . . . . . . 27700 3 164 3 38.479 . 171.851752992000 . . . . . . . . . . . 27700 3 165 1 8.038 . 21.987503803400 . . . . . . . . . . . 27700 3 165 2 117.080 . 24.006795084300 . . . . . . . . . . . 27700 3 165 3 64.314 . 158.181806472000 . . . . . . . . . . . 27700 3 166 1 8.037 . 21.243013623300 . . . . . . . . . . . 27700 3 166 2 117.073 . 25.346436161700 . . . . . . . . . . . 27700 3 166 3 55.214 . 165.184106316000 . . . . . . . . . . . 27700 3 167 1 8.362 . 23.641737132500 . . . . . . . . . . . 27700 3 167 2 116.453 . 24.279681745100 . . . . . . . . . . . 27700 3 167 3 63.783 . 154.893334494000 . . . . . . . . . . . 27700 3 168 1 8.362 . 23.642418588100 . . . . . . . . . . . 27700 3 168 2 116.451 . 24.075834548700 . . . . . . . . . . . 27700 3 168 3 58.387 . 150.284440222000 . . . . . . . . . . . 27700 3 169 1 8.187 . 21.765008568800 . . . . . . . . . . . 27700 3 169 2 122.324 . 75.560422524900 . . . . . . . . . . . 27700 3 169 3 55.045 . 157.365232806000 . . . . . . . . . . . 27700 3 170 1 8.187 . 20.061369712800 . . . . . . . . . . . 27700 3 170 2 122.343 . 75.670351946300 . . . . . . . . . . . 27700 3 170 3 42.372 . 172.591827386000 . . . . . . . . . . . 27700 3 171 1 8.001 . 27.175595211500 . . . . . . . . . . . 27700 3 171 2 115.672 . 25.613469102400 . . . . . . . . . . . 27700 3 171 3 52.781 . 160.301608784000 . . . . . . . . . . . 27700 3 172 1 8.000 . 28.418059029200 . . . . . . . . . . . 27700 3 172 2 115.684 . 24.917392907000 . . . . . . . . . . . 27700 3 172 3 41.388 . 158.569286500000 . . . . . . . . . . . 27700 3 173 1 8.379 . 22.686847553700 . . . . . . . . . . . 27700 3 173 2 110.153 . 23.187790765400 . . . . . . . . . . . 27700 3 173 3 45.559 . 149.232886707000 . . . . . . . . . . . 27700 3 174 1 8.345 . 22.333512855000 . . . . . . . . . . . 27700 3 174 2 118.958 . 22.392976084300 . . . . . . . . . . . 27700 3 174 3 56.332 . 153.320987886000 . . . . . . . . . . . 27700 3 175 1 8.345 . 22.371504001500 . . . . . . . . . . . 27700 3 175 2 118.955 . 22.253691977900 . . . . . . . . . . . 27700 3 175 3 63.150 . 150.750412989000 . . . . . . . . . . . 27700 3 176 1 8.311 . 23.264892217600 . . . . . . . . . . . 27700 3 176 2 109.375 . 20.432754584900 . . . . . . . . . . . 27700 3 176 3 45.086 . 146.704672970000 . . . . . . . . . . . 27700 3 177 1 8.193 . 21.643198390600 . . . . . . . . . . . 27700 3 177 2 125.094 . 21.729784022900 . . . . . . . . . . . 27700 3 177 3 52.828 . 153.256698596000 . . . . . . . . . . . 27700 3 178 1 8.443 . 24.482482908000 . . . . . . . . . . . 27700 3 178 2 123.479 . 56.520336835400 . . . . . . . . . . . 27700 3 178 3 56.287 . 160.836356141000 . . . . . . . . . . . 27700 3 179 1 8.442 . 23.502038746300 . . . . . . . . . . . 27700 3 179 2 123.479 . 28.758552431200 . . . . . . . . . . . 27700 3 179 3 33.014 . 174.521004476000 . . . . . . . . . . . 27700 3 180 1 8.305 . 23.858610358900 . . . . . . . . . . . 27700 3 180 2 123.226 . 27.895214790400 . . . . . . . . . . . 27700 3 180 3 32.848 . 163.577870780000 . . . . . . . . . . . 27700 3 181 1 8.188 . 21.049480249200 . . . . . . . . . . . 27700 3 181 2 123.629 . 23.591525288800 . . . . . . . . . . . 27700 3 181 3 52.139 . 156.744268028000 . . . . . . . . . . . 27700 3 182 1 8.189 . 20.861909611200 . . . . . . . . . . . 27700 3 182 2 123.629 . 23.601941467400 . . . . . . . . . . . 27700 3 182 3 18.992 . 153.630473542000 . . . . . . . . . . . 27700 3 183 1 8.322 . 37.842929908400 . . . . . . . . . . . 27700 3 183 2 123.423 . 29.197409275600 . . . . . . . . . . . 27700 3 183 3 32.891 . 163.553949184000 . . . . . . . . . . . 27700 3 184 1 8.325 . 30.558170160100 . . . . . . . . . . . 27700 3 184 2 123.437 . 28.573385488800 . . . . . . . . . . . 27700 3 184 3 56.384 . 153.913545768000 . . . . . . . . . . . 27700 3 185 1 8.427 . 25.111977465300 . . . . . . . . . . . 27700 3 185 2 123.791 . 25.920014654100 . . . . . . . . . . . 27700 3 185 3 55.948 . 242.237562320000 . . . . . . . . . . . 27700 3 186 1 8.362 . 26.837252534700 . . . . . . . . . . . 27700 3 186 2 123.691 . 25.403509933400 . . . . . . . . . . . 27700 3 186 3 31.429 . 196.618579303000 . . . . . . . . . . . 27700 3 187 1 6.738 . 21.792266790500 . . . . . . . . . . . 27700 3 187 2 117.567 . 27.704796716700 . . . . . . . . . . . 27700 3 187 3 33.424 . 229.644336828000 . . . . . . . . . . . 27700 3 190 1 8.278 . 20.010771638700 . . . . . . . . . . . 27700 3 190 2 118.861 . 106.153513640000 . . . . . . . . . . . 27700 3 190 3 176.973 . 286.283700362000 . . . . . . . . . . . 27700 3 191 1 7.423 . 42.978719603700 . . . . . . . . . . . 27700 3 191 2 117.244 . 0.707783635678 . . . . . . . . . . . 27700 3 191 3 176.073 . 152.701518209000 . . . . . . . . . . . 27700 3 192 1 8.541 . 27.965231821300 . . . . . . . . . . . 27700 3 192 2 122.182 . 25.413753943700 . . . . . . . . . . . 27700 3 192 3 66.317 . 151.451863971000 . . . . . . . . . . . 27700 3 193 1 8.461 . 26.495502580200 . . . . . . . . . . . 27700 3 193 2 123.067 . 25.339979852700 . . . . . . . . . . . 27700 3 193 3 65.206 . 152.638973201000 . . . . . . . . . . . 27700 3 194 1 8.461 . 45.740488553200 . . . . . . . . . . . 27700 3 194 2 123.075 . 22.265227250000 . . . . . . . . . . . 27700 3 194 3 32.226 . 209.445538728000 . . . . . . . . . . . 27700 3 195 1 8.423 . 23.336785777300 . . . . . . . . . . . 27700 3 195 2 123.113 . 27.260688741000 . . . . . . . . . . . 27700 3 195 3 56.384 . 159.077620427000 . . . . . . . . . . . 27700 3 196 1 8.422 . 22.786510426800 . . . . . . . . . . . 27700 3 196 2 123.113 . 25.647300161600 . . . . . . . . . . . 27700 3 196 3 30.367 . 164.126074035000 . . . . . . . . . . . 27700 3 197 1 9.242 . 27.733536936900 . . . . . . . . . . . 27700 3 197 2 128.485 . 29.822250861500 . . . . . . . . . . . 27700 3 197 3 59.474 . 173.789402314000 . . . . . . . . . . . 27700 3 198 1 9.241 . 32.346990958900 . . . . . . . . . . . 27700 3 198 2 128.485 . 24.278993072200 . . . . . . . . . . . 27700 3 198 3 30.117 . 174.184108658000 . . . . . . . . . . . 27700 3 199 1 8.358 . 31.543725238300 . . . . . . . . . . . 27700 3 199 2 110.363 . 26.195397754400 . . . . . . . . . . . 27700 3 199 3 44.854 . 251.171780270000 . . . . . . . . . . . 27700 3 200 1 8.374 . 23.698468306400 . . . . . . . . . . . 27700 3 200 2 110.363 . 37.698474390400 . . . . . . . . . . . 27700 3 200 3 29.884 . 163.384504542000 . . . . . . . . . . . 27700 3 201 1 8.377 . 21.460909033000 . . . . . . . . . . . 27700 3 201 2 110.363 . 38.089984968700 . . . . . . . . . . . 27700 3 201 3 57.455 . 161.286381176000 . . . . . . . . . . . 27700 3 202 1 8.281 . 21.397874395300 . . . . . . . . . . . 27700 3 202 2 123.682 . 21.230065705500 . . . . . . . . . . . 27700 3 202 3 32.962 . 157.023353321000 . . . . . . . . . . . 27700 3 203 1 8.281 . 21.824976656500 . . . . . . . . . . . 27700 3 203 2 123.683 . 21.751735473500 . . . . . . . . . . . 27700 3 203 3 56.340 . 152.833585356000 . . . . . . . . . . . 27700 3 204 1 8.420 . 23.457744136100 . . . . . . . . . . . 27700 3 204 2 116.570 . 25.020349514700 . . . . . . . . . . . 27700 3 204 3 63.697 . 147.369494008000 . . . . . . . . . . . 27700 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 . . 8.408 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 3 1 2 1 . . 119.995 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 3 1 3 1 . . 57.643 . . 1 . 1 1 114 PHE CA . . . . . . . . . . 219 . 27700 3 2 1 1 . . 8.410 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 3 2 2 1 . . 119.980 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 3 2 3 1 . . 42.981 . . 1 . 1 1 114 PHE CB . . . . . . . . . . 220 . 27700 3 3 1 1 . . 7.727 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 3 3 2 1 . . 119.956 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 3 3 3 1 . . 51.934 . . 1 . 1 1 102 LEU CA . . . . . . . . . . 221 . 27700 3 4 1 1 . . 7.724 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 3 4 2 1 . . 119.956 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 3 4 3 1 . . 45.635 . . 1 . 1 1 102 LEU CB . . . . . . . . . . 222 . 27700 3 5 1 1 . . 7.571 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 3 5 2 1 . . 118.916 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 3 5 3 1 . . 31.999 . . 1 . 1 1 53 VAL CB . . . . . . . . . . 226 . 27700 3 6 1 1 . . 7.566 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 3 6 2 1 . . 118.916 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 3 6 3 1 . . 67.855 . . 1 . 1 1 53 VAL CA . . . . . . . . . . 227 . 27700 3 7 1 1 . . 7.470 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 3 7 2 1 . . 117.838 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 3 7 3 1 . . 32.168 . . 1 . 1 1 94 LYS CB . . . . . . . . . . 230 . 27700 3 8 1 1 . . 7.470 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 3 8 2 1 . . 117.840 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 3 8 3 1 . . 60.019 . . 1 . 1 1 94 LYS CA . . . . . . . . . . 229 . 27700 3 9 1 1 . . 8.430 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 3 9 2 1 . . 124.075 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 3 9 3 1 . . 56.422 . . 1 . 1 1 34 LYS CA . . . . . . . . . . 370 . 27700 3 10 1 1 . . 8.427 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 3 10 2 1 . . 124.042 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 3 10 3 1 . . 32.867 . . 1 . 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 3 11 1 1 . . 8.415 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 3 11 2 1 . . 126.800 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 3 11 3 1 . . 52.565 . . 1 . 1 1 28 ALA CA . . . . . . . . . . 399 . 27700 3 12 1 1 . . 8.415 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 3 12 2 1 . . 126.801 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 3 12 3 1 . . 19.025 . . 1 . 1 1 28 ALA CB . . . . . . . . . . 232 . 27700 3 13 1 1 . . 7.364 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 3 13 2 1 . . 120.667 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 3 13 3 1 . . 60.474 . . 1 . 1 1 77 VAL CA . . . . . . . . . . 238 . 27700 3 14 1 1 . . 7.364 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 3 14 2 1 . . 120.680 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 3 14 3 1 . . 31.249 . . 1 . 1 1 77 VAL CB . . . . . . . . . . 237 . 27700 3 15 1 1 . . 9.100 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 3 15 2 1 . . 119.849 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 3 15 3 1 . . 44.503 . . 1 . 1 1 103 LEU CB . . . . . . . . . . 240 . 27700 3 16 1 1 . . 9.100 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 3 16 2 1 . . 119.829 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 3 16 3 1 . . 53.319 . . 1 . 1 1 103 LEU CA . . . . . . . . . . 241 . 27700 3 17 1 1 . . 9.149 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 3 17 2 1 . . 126.015 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 3 17 3 1 . . 58.016 . . 1 . 1 1 82 GLN CA . . . . . . . . . . 244 . 27700 3 18 1 1 . . 9.148 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 3 18 2 1 . . 126.007 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 3 18 3 1 . . 27.395 . . 1 . 1 1 82 GLN CB . . . . . . . . . . 245 . 27700 3 19 1 1 . . 7.236 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 3 19 2 1 . . 117.754 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 3 19 3 1 . . 57.294 . . 1 . 1 1 73 GLU CA . . . . . . . . . . 248 . 27700 3 20 1 1 . . 7.235 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 3 20 2 1 . . 117.743 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 3 20 3 1 . . 30.051 . . 1 . 1 1 73 GLU CB . . . . . . . . . . 449 . 27700 3 21 1 1 . . 8.513 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 3 21 2 1 . . 126.700 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 3 21 3 1 . . 53.223 . . 1 . 1 1 14 ALA CA . . . . . . . . . . 252 . 27700 3 22 1 1 . . 8.508 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 3 22 2 1 . . 126.703 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 3 22 3 1 . . 18.868 . . 1 . 1 1 14 ALA CB . . . . . . . . . . 253 . 27700 3 23 1 1 . . 7.748 . . 1 . 1 1 113 SER H . . . . . . . . . . 23 . 27700 3 23 2 1 . . 114.507 . . 1 . 1 1 113 SER N . . . . . . . . . . 24 . 27700 3 23 3 1 . . 56.758 . . 1 . 1 1 113 SER CA . . . . . . . . . . 256 . 27700 3 24 1 1 . . 7.749 . . 1 . 1 1 113 SER H . . . . . . . . . . 23 . 27700 3 24 2 1 . . 114.505 . . 1 . 1 1 113 SER N . . . . . . . . . . 24 . 27700 3 24 3 1 . . 65.163 . . 1 . 1 1 113 SER CB . . . . . . . . . . 257 . 27700 3 25 1 1 . . 8.200 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 3 25 2 1 . . 119.567 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 3 25 3 1 . . 59.044 . . 1 . 1 1 58 ARG CA . . . . . . . . . . 260 . 27700 3 26 1 1 . . 8.200 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 3 26 2 1 . . 119.569 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 3 26 3 1 . . 30.160 . . 1 . 1 1 58 ARG CB . . . . . . . . . . 259 . 27700 3 27 1 1 . . 7.808 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 3 27 2 1 . . 113.504 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 3 27 3 1 . . 39.840 . . 1 . 1 1 100 ASP CB . . . . . . . . . . 263 . 27700 3 28 1 1 . . 7.808 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 3 28 2 1 . . 113.503 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 3 28 3 1 . . 56.345 . . 1 . 1 1 100 ASP CA . . . . . . . . . . 262 . 27700 3 29 1 1 . . 8.577 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 3 29 2 1 . . 117.657 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 3 29 3 1 . . 58.819 . . 1 . 1 1 54 GLU CA . . . . . . . . . . 265 . 27700 3 30 1 1 . . 8.578 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 3 30 2 1 . . 117.662 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 3 30 3 1 . . 29.373 . . 1 . 1 1 54 GLU CB . . . . . . . . . . 266 . 27700 3 31 1 1 . . 8.415 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 3 31 2 1 . . 116.582 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 3 31 3 1 . . 58.578 . . 1 . 1 1 33 SER CA . . . . . . . . . . 271 . 27700 3 32 1 1 . . 8.359 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 3 32 2 1 . . 126.465 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 3 32 3 1 . . 52.070 . . 1 . 1 1 8 ALA CA . . . . . . . . . . 275 . 27700 3 33 1 1 . . 8.359 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 3 33 2 1 . . 126.465 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 3 33 3 1 . . 19.169 . . 1 . 1 1 8 ALA CB . . . . . . . . . . 284 . 27700 3 34 1 1 . . 7.933 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 3 34 2 1 . . 114.438 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 3 34 3 1 . . 68.708 . . 1 . 1 1 72 THR CB . . . . . . . . . . 247 . 27700 3 35 1 1 . . 7.932 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 3 35 2 1 . . 114.433 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 3 35 3 1 . . 67.127 . . 1 . 1 1 72 THR CA . . . . . . . . . . 278 . 27700 3 36 1 1 . . 8.646 . . 1 . 1 1 61 GLU H . . . . . . . . . . 37 . 27700 3 36 2 1 . . 119.125 . . 1 . 1 1 61 GLU N . . . . . . . . . . 38 . 27700 3 36 3 1 . . 57.798 . . 1 . 1 1 61 GLU CA . . . . . . . . . . 281 . 27700 3 37 1 1 . . 8.646 . . 1 . 1 1 61 GLU H . . . . . . . . . . 37 . 27700 3 37 2 1 . . 119.127 . . 1 . 1 1 61 GLU N . . . . . . . . . . 38 . 27700 3 37 3 1 . . 30.126 . . 1 . 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 3 38 1 1 . . 8.300 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 3 38 2 1 . . 123.983 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 3 38 3 1 . . 41.551 . . 1 . 1 1 9 LEU CB . . . . . . . . . . 286 . 27700 3 39 1 1 . . 8.301 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 3 39 2 1 . . 123.973 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 3 39 3 1 . . 53.001 . . 1 . 1 1 9 LEU CA . . . . . . . . . . 285 . 27700 3 40 1 1 . . 8.801 . . 1 . 1 1 110 ALA H . . . . . . . . . . 41 . 27700 3 40 2 1 . . 126.125 . . 1 . 1 1 110 ALA N . . . . . . . . . . 42 . 27700 3 40 3 1 . . 53.106 . . 1 . 1 1 110 ALA CA . . . . . . . . . . 289 . 27700 3 41 1 1 . . 8.801 . . 1 . 1 1 110 ALA H . . . . . . . . . . 41 . 27700 3 41 2 1 . . 126.127 . . 1 . 1 1 110 ALA N . . . . . . . . . . 42 . 27700 3 41 3 1 . . 19.008 . . 1 . 1 1 110 ALA CB . . . . . . . . . . 288 . 27700 3 42 1 1 . . 7.679 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 3 42 2 1 . . 114.259 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 3 42 3 1 . . 37.648 . . 1 . 1 1 99 ASN CB . . . . . . . . . . 296 . 27700 3 43 1 1 . . 7.679 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 3 43 2 1 . . 114.239 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 3 43 3 1 . . 51.520 . . 1 . 1 1 99 ASN CA . . . . . . . . . . 297 . 27700 3 44 1 1 . . 8.249 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 3 44 2 1 . . 119.114 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 3 44 3 1 . . 37.363 . . 1 . 1 1 91 TYR CB . . . . . . . . . . 299 . 27700 3 45 1 1 . . 8.249 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 3 45 2 1 . . 119.125 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 3 45 3 1 . . 60.540 . . 1 . 1 1 91 TYR CA . . . . . . . . . . 300 . 27700 3 46 1 1 . . 8.805 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 3 46 2 1 . . 119.049 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 3 46 3 1 . . 68.189 . . 1 . 1 1 101 THR CB . . . . . . . . . . 303 . 27700 3 47 1 1 . . 8.804 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 3 47 2 1 . . 119.039 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 3 47 3 1 . . 67.062 . . 1 . 1 1 101 THR CA . . . . . . . . . . 302 . 27700 3 48 1 1 . . 7.425 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 3 48 2 1 . . 117.253 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 3 48 3 1 . . 67.908 . . 1 . 1 1 87 THR CB . . . . . . . . . . 310 . 27700 3 49 1 1 . . 7.423 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 3 49 2 1 . . 117.248 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 3 49 3 1 . . 66.640 . . 1 . 1 1 87 THR CA . . . . . . . . . . 309 . 27700 3 50 1 1 . . 8.482 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 3 50 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 3 50 3 1 . . 52.615 . . 1 . 1 1 24 ALA CA . . . . . . . . . . 312 . 27700 3 51 1 1 . . 8.486 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 3 51 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 3 51 3 1 . . 19.131 . . 1 . 1 1 24 ALA CB . . . . . . . . . . 313 . 27700 3 52 1 1 . . 8.466 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 3 52 2 1 . . 125.481 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 3 52 3 1 . . 33.081 . . 1 . 1 1 23 LYS CB . . . . . . . . . . 316 . 27700 3 53 1 1 . . 8.465 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 3 53 2 1 . . 125.479 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 3 53 3 1 . . 56.246 . . 1 . 1 1 23 LYS CA . . . . . . . . . . 315 . 27700 3 54 1 1 . . 8.405 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 3 54 2 1 . . 117.751 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 3 54 3 1 . . 63.769 . . 1 . 1 1 39 SER CB . . . . . . . . . . 320 . 27700 3 55 1 1 . . 8.405 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 3 55 2 1 . . 117.750 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 3 55 3 1 . . 58.558 . . 1 . 1 1 39 SER CA . . . . . . . . . . 319 . 27700 3 56 1 1 . . 8.092 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 3 56 2 1 . . 123.828 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 3 56 3 1 . . 30.991 . . 1 . 1 1 118 ARG CB . . . . . . . . . . 324 . 27700 3 57 1 1 . . 8.092 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 3 57 2 1 . . 123.829 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 3 57 3 1 . . 55.624 . . 1 . 1 1 118 ARG CA . . . . . . . . . . 323 . 27700 3 58 1 1 . . 8.604 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 3 58 2 1 . . 125.279 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 3 58 3 1 . . 56.508 . . 1 . 1 1 4 GLU CA . . . . . . . . . . 423 . 27700 3 59 1 1 . . 8.604 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 3 59 2 1 . . 125.280 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 3 59 3 1 . . 30.020 . . 1 . 1 1 4 GLU CB . . . . . . . . . . 329 . 27700 3 60 1 1 . . 7.176 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 3 60 2 1 . . 125.080 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 3 60 3 1 . . 60.410 . . 1 . 1 1 80 PHE CA . . . . . . . . . . 338 . 27700 3 61 1 1 . . 7.177 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 3 61 2 1 . . 125.078 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 3 61 3 1 . . 39.882 . . 1 . 1 1 80 PHE CB . . . . . . . . . . 334 . 27700 3 62 1 1 . . 8.152 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 3 62 2 1 . . 118.928 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 3 62 3 1 . . 57.231 . . 1 . 1 1 59 LEU CA . . . . . . . . . . 337 . 27700 3 63 1 1 . . 8.151 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 3 63 2 1 . . 118.918 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 3 63 3 1 . . 42.260 . . 1 . 1 1 59 LEU CB . . . . . . . . . . 336 . 27700 3 64 1 1 . . 7.086 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 3 64 2 1 . . 127.538 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 3 64 3 1 . . 53.311 . . 1 . 1 1 81 ASP CA . . . . . . . . . . 339 . 27700 3 65 1 1 . . 7.089 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 3 65 2 1 . . 127.529 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 3 65 3 1 . . 41.091 . . 1 . 1 1 81 ASP CB . . . . . . . . . . 243 . 27700 3 66 1 1 . . 8.361 . . 1 . 1 1 52 VAL H . . . . . . . . . . 75 . 27700 3 66 2 1 . . 123.690 . . 1 . 1 1 52 VAL N . . . . . . . . . . 76 . 27700 3 66 3 1 . . 68.591 . . 1 . 1 1 52 VAL CA . . . . . . . . . . 341 . 27700 3 67 1 1 . . 8.429 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 3 67 2 1 . . 123.791 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 3 67 3 1 . . 30.820 . . 1 . 1 1 36 ARG CB . . . . . . . . . . 346 . 27700 3 68 1 1 . . 8.040 . . 1 . 1 1 108 THR H . . . . . . . . . . 85 . 27700 3 68 2 1 . . 111.910 . . 1 . 1 1 108 THR N . . . . . . . . . . 86 . 27700 3 68 3 1 . . 70.149 . . 1 . 1 1 108 THR CB . . . . . . . . . . 350 . 27700 3 69 1 1 . . 8.041 . . 1 . 1 1 108 THR H . . . . . . . . . . 85 . 27700 3 69 2 1 . . 111.904 . . 1 . 1 1 108 THR N . . . . . . . . . . 86 . 27700 3 69 3 1 . . 61.328 . . 1 . 1 1 108 THR CA . . . . . . . . . . 499 . 27700 3 70 1 1 . . 8.621 . . 1 . 1 1 65 SER H . . . . . . . . . . 89 . 27700 3 70 2 1 . . 113.505 . . 1 . 1 1 65 SER N . . . . . . . . . . 90 . 27700 3 70 3 1 . . 66.802 . . 1 . 1 1 65 SER CB . . . . . . . . . . 352 . 27700 3 71 1 1 . . 8.622 . . 1 . 1 1 65 SER H . . . . . . . . . . 89 . 27700 3 71 2 1 . . 113.508 . . 1 . 1 1 65 SER N . . . . . . . . . . 90 . 27700 3 71 3 1 . . 57.248 . . 1 . 1 1 65 SER CA . . . . . . . . . . 351 . 27700 3 72 1 1 . . 8.570 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 3 72 2 1 . . 127.667 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 3 72 3 1 . . 32.836 . . 1 . 1 1 105 VAL CB . . . . . . . . . . 354 . 27700 3 73 1 1 . . 8.570 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 3 73 2 1 . . 127.669 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 3 73 3 1 . . 61.871 . . 1 . 1 1 105 VAL CA . . . . . . . . . . 355 . 27700 3 74 1 1 . . 8.230 . . 1 . 1 1 49 SER H . . . . . . . . . . 93 . 27700 3 74 2 1 . . 118.388 . . 1 . 1 1 49 SER N . . . . . . . . . . 94 . 27700 3 74 3 1 . . 62.497 . . 1 . 1 1 49 SER CA . . . . . . . . . . 359 . 27700 3 75 1 1 . . 7.302 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 3 75 2 1 . . 111.394 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 3 75 3 1 . . 30.789 . . 1 . 1 1 75 LYS CB . . . . . . . . . . 362 . 27700 3 76 1 1 . . 7.303 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 3 76 2 1 . . 111.401 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 3 76 3 1 . . 56.615 . . 1 . 1 1 75 LYS CA . . . . . . . . . . 363 . 27700 3 77 1 1 . . 8.213 . . 1 . 1 1 112 GLY H . . . . . . . . . . 97 . 27700 3 77 2 1 . . 108.079 . . 1 . 1 1 112 GLY N . . . . . . . . . . 98 . 27700 3 77 3 1 . . 44.797 . . 1 . 1 1 112 GLY CA . . . . . . . . . . 255 . 27700 3 78 1 1 . . 8.523 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 3 78 2 1 . . 124.067 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 3 78 3 1 . . 33.018 . . 1 . 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 3 79 1 1 . . 8.522 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 3 79 2 1 . . 124.068 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 3 79 3 1 . . 56.700 . . 1 . 1 1 37 LYS CA . . . . . . . . . . 365 . 27700 3 80 1 1 . . 8.985 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 3 80 2 1 . . 125.022 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 3 80 3 1 . . 55.002 . . 1 . 1 1 104 GLN CA . . . . . . . . . . 367 . 27700 3 81 1 1 . . 8.985 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 3 81 2 1 . . 125.025 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 3 81 3 1 . . 29.271 . . 1 . 1 1 104 GLN CB . . . . . . . . . . 368 . 27700 3 82 1 1 . . 8.187 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 3 82 2 1 . . 121.957 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 3 82 3 1 . . 54.751 . . 1 . 1 1 117 ASN CA . . . . . . . . . . 375 . 27700 3 83 1 1 . . 8.188 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 3 83 2 1 . . 121.952 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 3 83 3 1 . . 42.397 . . 1 . 1 1 30 LEU CB . . . . . . . . . . 374 . 27700 3 84 1 1 . . 8.072 . . 1 . 1 1 85 GLY H . . . . . . . . . . 109 . 27700 3 84 2 1 . . 109.993 . . 1 . 1 1 85 GLY N . . . . . . . . . . 110 . 27700 3 84 3 1 . . 48.142 . . 1 . 1 1 85 GLY CA . . . . . . . . . . 377 . 27700 3 85 1 1 . . 9.390 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 3 85 2 1 . . 121.666 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 3 85 3 1 . . 58.931 . . 1 . 1 1 67 LEU CA . . . . . . . . . . 378 . 27700 3 86 1 1 . . 9.393 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 3 86 2 1 . . 121.676 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 3 86 3 1 . . 40.630 . . 1 . 1 1 67 LEU CB . . . . . . . . . . 379 . 27700 3 87 1 1 . . 8.460 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 3 87 2 1 . . 120.511 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 3 87 3 1 . . 29.905 . . 1 . 1 1 15 GLU CB . . . . . . . . . . 381 . 27700 3 88 1 1 . . 8.460 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 3 88 2 1 . . 120.511 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 3 88 3 1 . . 57.429 . . 1 . 1 1 15 GLU CA . . . . . . . . . . 382 . 27700 3 89 1 1 . . 8.301 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 3 89 2 1 . . 123.162 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 3 89 3 1 . . 62.330 . . 1 . 1 1 21 VAL CA . . . . . . . . . . 384 . 27700 3 90 1 1 . . 8.345 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 3 90 2 1 . . 118.849 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 3 90 3 1 . . 69.898 . . 1 . 1 1 12 THR CB . . . . . . . . . . 473 . 27700 3 91 1 1 . . 8.346 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 3 91 2 1 . . 118.797 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 3 91 3 1 . . 61.635 . . 1 . 1 1 12 THR CA . . . . . . . . . . 389 . 27700 3 92 1 1 . . 8.379 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 3 92 2 1 . . 121.617 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 3 92 3 1 . . 62.308 . . 1 . 1 1 11 VAL CA . . . . . . . . . . 388 . 27700 3 93 1 1 . . 8.376 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 3 93 2 1 . . 121.616 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 3 93 3 1 . . 32.794 . . 1 . 1 1 11 VAL CB . . . . . . . . . . 394 . 27700 3 94 1 1 . . 8.385 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 3 94 2 1 . . 120.508 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 3 94 3 1 . . 69.889 . . 1 . 1 1 22 THR CB . . . . . . . . . . 317 . 27700 3 95 1 1 . . 8.385 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 3 95 2 1 . . 120.509 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 3 95 3 1 . . 61.918 . . 1 . 1 1 22 THR CA . . . . . . . . . . 398 . 27700 3 96 1 1 . . 8.503 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 3 96 2 1 . . 120.486 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 3 96 3 1 . . 38.680 . . 1 . 1 1 43 ASN CB . . . . . . . . . . 403 . 27700 3 97 1 1 . . 8.503 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 3 97 2 1 . . 120.500 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 3 97 3 1 . . 53.088 . . 1 . 1 1 43 ASN CA . . . . . . . . . . 492 . 27700 3 99 1 1 . . 8.279 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 3 99 2 1 . . 118.861 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 3 99 3 1 . . 58.207 . . 1 . 1 1 83 GLN CA . . . . . . . . . . 406 . 27700 3 100 1 1 . . 8.122 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 3 100 2 1 . . 116.339 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 3 100 3 1 . . 39.430 . . 1 . 1 1 111 ASN CB . . . . . . . . . . 408 . 27700 3 101 1 1 . . 8.121 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 3 101 2 1 . . 116.332 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 3 101 3 1 . . 52.873 . . 1 . 1 1 111 ASN CA . . . . . . . . . . 409 . 27700 3 102 1 1 . . 7.742 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 3 102 2 1 . . 120.436 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 3 102 3 1 . . 41.919 . . 1 . 1 1 51 LEU CB . . . . . . . . . . 410 . 27700 3 103 1 1 . . 7.741 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 3 103 2 1 . . 120.437 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 3 103 3 1 . . 57.668 . . 1 . 1 1 51 LEU CA . . . . . . . . . . 411 . 27700 3 104 1 1 . . 8.411 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 104 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 104 3 1 . . 30.341 . . 1 . 1 1 6 GLU CB . . . . . . . . . . 401 . 27700 3 105 1 1 . . 8.404 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 105 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 105 3 1 . . 56.480 . . 1 . 1 1 6 GLU CA . . . . . . . . . . 414 . 27700 3 106 1 1 . . 8.809 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 3 106 2 1 . . 121.365 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 3 106 3 1 . . 42.178 . . 1 . 1 1 89 LEU CB . . . . . . . . . . 415 . 27700 3 107 1 1 . . 8.808 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 3 107 2 1 . . 121.360 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 3 107 3 1 . . 58.227 . . 1 . 1 1 89 LEU CA . . . . . . . . . . 416 . 27700 3 108 1 1 . . 7.489 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 3 108 2 1 . . 105.025 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 3 108 3 1 . . 47.610 . . 1 . 1 1 60 GLY CA . . . . . . . . . . 280 . 27700 3 109 1 1 . . 8.075 . . 1 . 1 1 17 MET H . . . . . . . . . . 145 . 27700 3 109 2 1 . . 120.391 . . 1 . 1 1 17 MET N . . . . . . . . . . 146 . 27700 3 109 3 1 . . 32.663 . . 1 . 1 1 17 MET CB . . . . . . . . . . 440 . 27700 3 110 1 1 . . 8.075 . . 1 . 1 1 17 MET H . . . . . . . . . . 145 . 27700 3 110 2 1 . . 120.388 . . 1 . 1 1 17 MET N . . . . . . . . . . 146 . 27700 3 110 3 1 . . 55.645 . . 1 . 1 1 17 MET CA . . . . . . . . . . 418 . 27700 3 111 1 1 . . 8.973 . . 1 . 1 1 86 ARG H . . . . . . . . . . 147 . 27700 3 111 2 1 . . 122.475 . . 1 . 1 1 86 ARG N . . . . . . . . . . 148 . 27700 3 111 3 1 . . 61.036 . . 1 . 1 1 86 ARG CA . . . . . . . . . . 420 . 27700 3 112 1 1 . . 8.973 . . 1 . 1 1 86 ARG H . . . . . . . . . . 147 . 27700 3 112 2 1 . . 122.468 . . 1 . 1 1 86 ARG N . . . . . . . . . . 148 . 27700 3 112 3 1 . . 29.213 . . 1 . 1 1 86 ARG CB . . . . . . . . . . 421 . 27700 3 113 1 1 . . 8.329 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 3 113 2 1 . . 124.019 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 3 113 3 1 . . 55.060 . . 1 . 1 1 5 LEU CA . . . . . . . . . . 413 . 27700 3 114 1 1 . . 8.329 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 3 114 2 1 . . 124.018 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 3 114 3 1 . . 42.401 . . 1 . 1 1 5 LEU CB . . . . . . . . . . 424 . 27700 3 115 1 1 . . 7.430 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 3 115 2 1 . . 121.343 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 3 115 3 1 . . 57.857 . . 1 . 1 1 88 TYR CA . . . . . . . . . . 427 . 27700 3 116 1 1 . . 7.431 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 3 116 2 1 . . 121.341 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 3 116 3 1 . . 34.916 . . 1 . 1 1 88 TYR CB . . . . . . . . . . 428 . 27700 3 117 1 1 . . 8.385 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 3 117 2 1 . . 124.459 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 3 117 3 1 . . 56.371 . . 1 . 1 1 34 LYS CA . . . . . . . . . . 370 . 27700 3 118 1 1 . . 8.385 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 3 118 2 1 . . 124.460 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 3 118 3 2 . . 32.886 . . 1 . 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 3 119 1 1 . . 9.313 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 3 119 2 1 . . 120.217 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 3 119 3 1 . . 60.762 . . 1 . 1 1 71 TYR CA . . . . . . . . . . 277 . 27700 3 120 1 1 . . 9.313 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 3 120 2 1 . . 120.237 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 3 120 3 1 . . 38.096 . . 1 . 1 1 71 TYR CB . . . . . . . . . . 431 . 27700 3 121 1 1 . . 8.440 . . 1 . 1 1 46 GLY H . . . . . . . . . . 157 . 27700 3 121 2 1 . . 109.834 . . 1 . 1 1 46 GLY N . . . . . . . . . . 158 . 27700 3 121 3 2 . . 45.873 . . 1 . 1 1 46 GLY CA . . . . . . . . . . 565 . 27700 3 122 1 1 . . 7.895 . . 1 . 1 1 50 GLN H . . . . . . . . . . 159 . 27700 3 122 2 1 . . 121.149 . . 1 . 1 1 50 GLN N . . . . . . . . . . 160 . 27700 3 122 3 1 . . 58.771 . . 1 . 1 1 50 GLN CA . . . . . . . . . . 437 . 27700 3 123 1 1 . . 7.895 . . 1 . 1 1 50 GLN H . . . . . . . . . . 159 . 27700 3 123 2 1 . . 121.146 . . 1 . 1 1 50 GLN N . . . . . . . . . . 160 . 27700 3 123 3 1 . . 27.993 . . 1 . 1 1 50 GLN CB . . . . . . . . . . 438 . 27700 3 124 1 1 . . 8.194 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 3 124 2 1 . . 125.082 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 3 124 3 1 . . 18.899 . . 1 . 1 1 18 ALA CB . . . . . . . . . . 442 . 27700 3 125 1 1 . . 8.529 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 3 125 2 1 . . 120.269 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 3 125 3 1 . . 38.820 . . 1 . 1 1 70 ILE CB . . . . . . . . . . 444 . 27700 3 126 1 1 . . 8.530 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 3 126 2 1 . . 120.278 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 3 126 3 1 . . 65.352 . . 1 . 1 1 70 ILE CA . . . . . . . . . . 430 . 27700 3 127 1 1 . . 9.083 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 3 127 2 1 . . 122.308 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 3 127 3 1 . . 41.416 . . 1 . 1 1 116 LEU CB . . . . . . . . . . 447 . 27700 3 128 1 1 . . 9.084 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 3 128 2 1 . . 122.305 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 3 128 3 1 . . 56.131 . . 1 . 1 1 116 LEU CA . . . . . . . . . . 446 . 27700 3 129 1 1 . . 9.036 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 3 129 2 1 . . 125.166 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 3 129 3 1 . . 54.816 . . 1 . 1 1 74 ALA CA . . . . . . . . . . 450 . 27700 3 130 1 1 . . 9.035 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 3 130 2 1 . . 125.173 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 3 130 3 1 . . 18.724 . . 1 . 1 1 74 ALA CB . . . . . . . . . . 361 . 27700 3 131 1 1 . . 8.626 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 3 131 2 1 . . 121.087 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 3 131 3 1 . . 38.841 . . 1 . 1 1 38 ASN CB . . . . . . . . . . 452 . 27700 3 132 1 1 . . 8.626 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 3 132 2 1 . . 121.087 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 3 132 3 1 . . 53.160 . . 1 . 1 1 38 ASN CA . . . . . . . . . . 453 . 27700 3 133 1 1 . . 8.077 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 3 133 2 1 . . 128.923 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 3 133 3 1 . . 33.457 . . 1 . 1 1 119 LYS CB . . . . . . . . . . 455 . 27700 3 134 1 1 . . 8.077 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 3 134 2 1 . . 128.923 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 3 134 3 1 . . 57.825 . . 1 . 1 1 119 LYS CA . . . . . . . . . . 456 . 27700 3 135 1 1 . . 8.587 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 3 135 2 1 . . 120.168 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 3 135 3 1 . . 55.806 . . 1 . 1 1 68 ALA CA . . . . . . . . . . 458 . 27700 3 136 1 1 . . 8.587 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 3 136 2 1 . . 120.172 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 3 136 3 1 . . 18.169 . . 1 . 1 1 68 ALA CB . . . . . . . . . . 459 . 27700 3 137 1 1 . . 8.542 . . 1 . 1 1 93 ILE H . . . . . . . . . . 173 . 27700 3 137 2 1 . . 122.174 . . 1 . 1 1 93 ILE N . . . . . . . . . . 174 . 27700 3 137 3 1 . . 37.770 . . 1 . 1 1 93 ILE CB . . . . . . . . . . 461 . 27700 3 138 1 1 . . 8.441 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 3 138 2 1 . . 120.987 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 3 138 3 1 . . 59.623 . . 1 . 1 1 57 ARG CA . . . . . . . . . . 465 . 27700 3 139 1 1 . . 8.440 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 3 139 2 1 . . 120.989 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 3 139 3 1 . . 30.349 . . 1 . 1 1 57 ARG CB . . . . . . . . . . 466 . 27700 3 140 1 1 . . 8.326 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 3 140 2 1 . . 120.184 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 3 140 3 1 . . 42.519 . . 1 . 1 1 96 LEU CB . . . . . . . . . . 467 . 27700 3 141 1 1 . . 8.325 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 3 141 2 1 . . 120.189 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 3 141 3 1 . . 56.076 . . 1 . 1 1 96 LEU CA . . . . . . . . . . 468 . 27700 3 142 1 1 . . 7.608 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 3 142 2 1 . . 122.081 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 3 142 3 1 . . 55.032 . . 1 . 1 1 95 ALA CA . . . . . . . . . . 470 . 27700 3 143 1 1 . . 7.609 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 3 143 2 1 . . 122.078 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 3 143 3 1 . . 18.065 . . 1 . 1 1 95 ALA CB . . . . . . . . . . 471 . 27700 3 144 1 1 . . 8.173 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 3 144 2 1 . . 121.032 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 3 144 3 1 . . 56.325 . . 1 . 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 3 145 1 1 . . 8.173 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 3 145 2 1 . . 121.036 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 3 145 3 1 . . 32.924 . . 1 . 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 3 146 1 1 . . 8.211 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 3 146 2 1 . . 116.981 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 3 147 1 1 . . 8.211 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 3 147 2 1 . . 116.981 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 3 148 1 1 . . 8.832 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 3 148 2 1 . . 120.008 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 3 148 3 1 . . 37.437 . . 1 . 1 1 115 LYS CB . . . . . . . . . . 477 . 27700 3 149 1 1 . . 8.833 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 3 149 2 1 . . 120.005 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 3 149 3 1 . . 53.400 . . 1 . 1 1 115 LYS CA . . . . . . . . . . 476 . 27700 3 150 1 1 . . 8.773 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 3 150 2 1 . . 121.923 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 3 150 3 1 . . 65.433 . . 1 . 1 1 66 SER CB . . . . . . . . . . 479 . 27700 3 151 1 1 . . 8.774 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 3 151 2 1 . . 121.927 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 3 151 3 1 . . 56.816 . . 1 . 1 1 66 SER CA . . . . . . . . . . 480 . 27700 3 152 1 1 . . 7.965 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 3 152 2 1 . . 121.010 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 3 152 3 1 . . 28.242 . . 1 . 1 1 98 GLN CB . . . . . . . . . . 483 . 27700 3 153 1 1 . . 7.964 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 3 153 2 1 . . 121.015 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 3 153 3 1 . . 58.923 . . 1 . 1 1 98 GLN CA . . . . . . . . . . 484 . 27700 3 154 1 1 . . 7.024 . . 1 . 1 1 64 GLY H . . . . . . . . . . 191 . 27700 3 154 2 1 . . 104.614 . . 1 . 1 1 64 GLY N . . . . . . . . . . 192 . 27700 3 154 3 1 . . 44.813 . . 1 . 1 1 64 GLY CA . . . . . . . . . . 485 . 27700 3 155 1 1 . . 8.032 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 3 155 2 1 . . 120.040 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 3 155 3 1 . . 60.860 . . 1 . 1 1 90 LYS CA . . . . . . . . . . 488 . 27700 3 156 1 1 . . 8.032 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 3 156 2 1 . . 120.038 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 3 156 3 1 . . 32.222 . . 1 . 1 1 90 LYS CB . . . . . . . . . . 489 . 27700 3 157 1 1 . . 8.308 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 3 157 2 1 . . 121.932 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 3 157 3 1 . . 54.098 . . 1 . 1 1 44 GLN CA . . . . . . . . . . 494 . 27700 3 158 1 1 . . 8.309 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 3 158 2 1 . . 121.942 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 3 158 3 1 . . 28.738 . . 1 . 1 1 44 GLN CB . . . . . . . . . . 493 . 27700 3 159 1 1 . . 7.869 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 3 159 2 1 . . 120.632 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 3 159 3 1 . . 58.680 . . 1 . 1 1 69 LYS CA . . . . . . . . . . 443 . 27700 3 160 1 1 . . 7.868 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 3 160 2 1 . . 120.638 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 3 160 3 1 . . 32.672 . . 1 . 1 1 69 LYS CB . . . . . . . . . . 496 . 27700 3 161 1 1 . . 8.482 . . 1 . 1 1 25 GLY H . . . . . . . . . . 199 . 27700 3 161 2 1 . . 109.476 . . 1 . 1 1 25 GLY N . . . . . . . . . . 200 . 27700 3 161 3 1 . . 45.204 . . 1 . 1 1 25 GLY CA . . . . . . . . . . 308 . 27700 3 162 1 1 . . 8.678 . . 1 . 1 1 109 GLY H . . . . . . . . . . 209 . 27700 3 162 2 1 . . 112.665 . . 1 . 1 1 109 GLY N . . . . . . . . . . 210 . 27700 3 162 3 1 . . 45.695 . . 1 . 1 1 109 GLY CA . . . . . . . . . . 500 . 27700 3 163 1 1 . . 8.700 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 3 163 2 1 . . 115.010 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 3 163 3 1 . . 51.844 . . 1 . 1 1 63 ASN CA . . . . . . . . . . 504 . 27700 3 164 1 1 . . 8.699 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 3 164 2 1 . . 115.003 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 3 164 3 1 . . 38.479 . . 1 . 1 1 63 ASN CB . . . . . . . . . . 505 . 27700 3 165 1 1 . . 8.038 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 3 165 2 1 . . 117.080 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 3 165 3 1 . . 64.314 . . 1 . 1 1 31 SER CB . . . . . . . . . . 508 . 27700 3 166 1 1 . . 8.037 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 3 166 2 1 . . 117.073 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 3 166 3 1 . . 55.214 . . 1 . 1 1 31 SER CA . . . . . . . . . . 507 . 27700 3 167 1 1 . . 8.362 . . 1 . 1 1 27 SER H . . . . . . . . . . 213 . 27700 3 167 2 1 . . 116.453 . . 1 . 1 1 27 SER N . . . . . . . . . . 214 . 27700 3 167 3 1 . . 63.783 . . 1 . 1 1 27 SER CB . . . . . . . . . . 510 . 27700 3 168 1 1 . . 8.362 . . 1 . 1 1 27 SER H . . . . . . . . . . 213 . 27700 3 168 2 1 . . 116.451 . . 1 . 1 1 27 SER N . . . . . . . . . . 214 . 27700 3 168 3 1 . . 58.387 . . 1 . 1 1 27 SER CA . . . . . . . . . . 233 . 27700 3 169 1 1 . . 8.187 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 3 169 2 1 . . 122.324 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 3 169 3 1 . . 55.045 . . 1 . 1 1 30 LEU CA . . . . . . . . . . 512 . 27700 3 170 1 1 . . 8.187 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 3 170 2 1 . . 122.343 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 3 170 3 1 . . 42.372 . . 1 . 1 1 30 LEU CB . . . . . . . . . . 374 . 27700 3 171 1 1 . . 8.001 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 3 171 2 1 . . 115.672 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 3 171 3 1 . . 52.781 . . 1 . 1 1 84 ASN CA . . . . . . . . . . 515 . 27700 3 172 1 1 . . 8.000 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 3 172 2 1 . . 115.684 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 3 172 3 1 . . 41.388 . . 1 . 1 1 84 ASN CB . . . . . . . . . . 376 . 27700 3 173 1 1 . . 8.379 . . 1 . 1 1 16 GLY H . . . . . . . . . . 217 . 27700 3 173 2 1 . . 110.153 . . 1 . 1 1 16 GLY N . . . . . . . . . . 218 . 27700 3 173 3 1 . . 45.559 . . 1 . 1 1 16 GLY CA . . . . . . . . . . 517 . 27700 3 174 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 3 174 2 1 . . 118.958 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 3 174 3 1 . . 56.332 . . 1 . . . . . . . . . . . . . . . . 522 . 27700 3 175 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 3 175 2 1 . . 118.955 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 3 175 3 1 . . 63.150 . . 1 . . . . . . . . . . . . . . . . 523 . 27700 3 176 1 2 . . 8.311 . . 1 . 1 1 26 GLY H . . . . . . . . . . 53 . 27700 3 176 2 1 . . 109.375 . . 1 . 1 1 26 GLY N . . . . . . . . . . 54 . 27700 3 176 3 1 . . 45.086 . . 1 . 1 1 26 GLY CA . . . . . . . . . . 526 . 27700 3 177 1 1 . . 8.193 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 3 177 2 1 . . 125.094 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 3 177 3 1 . . 52.828 . . 1 . 1 1 18 ALA CA . . . . . . . . . . 525 . 27700 3 178 1 1 . . 8.443 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 3 178 2 1 . . 123.479 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 3 178 3 1 . . 56.287 . . 1 . 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 3 179 1 1 . . 8.442 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 3 179 2 1 . . 123.479 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 3 179 3 1 . . 33.014 . . 1 . 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 3 180 1 1 . . 8.305 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 3 180 2 1 . . 123.226 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 3 180 3 1 . . 32.848 . . 1 . 1 1 21 VAL CB . . . . . . . . . . 397 . 27700 3 181 1 1 . . 8.188 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 3 181 2 1 . . 123.629 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 3 181 3 1 . . 52.139 . . 1 . 1 1 29 ALA CA . . . . . . . . . . 528 . 27700 3 182 1 1 . . 8.189 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 3 182 2 1 . . 123.629 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 3 182 3 1 . . 18.992 . . 1 . 1 1 29 ALA CB . . . . . . . . . . 529 . 27700 3 183 1 1 . . 8.322 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 3 183 2 1 . . 123.423 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 3 183 3 2 . . 32.891 . . 1 . 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 3 184 1 1 . . 8.325 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 3 184 2 1 . . 123.437 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 3 184 3 2 . . 56.384 . . 1 . 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 3 185 1 1 . . 8.427 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 3 185 2 1 . . 123.791 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 3 185 3 1 . . 55.948 . . 1 . 1 1 36 ARG CA . . . . . . . . . . 530 . 27700 3 186 1 1 . . 8.362 . . 1 . 1 1 52 VAL H . . . . . . . . . . 75 . 27700 3 186 2 1 . . 123.691 . . 1 . 1 1 52 VAL N . . . . . . . . . . 76 . 27700 3 186 3 1 . . 31.429 . . 1 . 1 1 52 VAL CB . . . . . . . . . . 532 . 27700 3 187 1 1 . . 6.738 . . 1 . 1 1 76 LYS H . . . . . . . . . . 205 . 27700 3 187 2 1 . . 117.567 . . 1 . 1 1 76 LYS N . . . . . . . . . . 206 . 27700 3 187 3 1 . . 33.424 . . 1 . 1 1 76 LYS CB . . . . . . . . . . 540 . 27700 3 190 1 1 . . 8.278 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 3 190 2 1 . . 118.861 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 3 190 3 1 . . 176.973 . . 1 . 1 1 83 GLN C . . . . . . . . . . 543 . 27700 3 191 1 1 . . 7.423 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 3 191 2 1 . . 117.244 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 3 191 3 1 . . 176.073 . . 1 . 1 1 87 THR C . . . . . . . . . . 425 . 27700 3 192 1 1 . . 8.541 . . 1 . 1 1 93 ILE H . . . . . . . . . . 173 . 27700 3 192 2 1 . . 122.182 . . 1 . 1 1 93 ILE N . . . . . . . . . . 174 . 27700 3 192 3 1 . . 66.317 . . 1 . 1 1 93 ILE CA . . . . . . . . . . 545 . 27700 3 193 1 1 . . 8.461 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 3 193 2 1 . . 123.067 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 3 193 3 1 . . 65.206 . . 1 . 1 1 97 VAL CA . . . . . . . . . . 482 . 27700 3 194 1 1 . . 8.461 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 3 194 2 1 . . 123.075 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 3 194 3 1 . . 32.226 . . 1 . 1 1 97 VAL CB . . . . . . . . . . 548 . 27700 3 195 1 1 . . 8.423 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 195 2 1 . . 123.113 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 195 3 1 . . 56.384 . . 1 . 1 1 6 GLU CA . . . . . . . . . . 414 . 27700 3 196 1 1 . . 8.422 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 3 196 2 1 . . 123.113 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 3 196 3 1 . . 30.367 . . 1 . 1 1 6 GLU CB . . . . . . . . . . 401 . 27700 3 197 1 1 . . 9.242 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 3 197 2 1 . . 128.485 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 3 197 3 1 . . 59.474 . . 1 . 1 1 62 ARG CA . . . . . . . . . . 503 . 27700 3 198 1 1 . . 9.241 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 3 198 2 1 . . 128.485 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 3 198 3 1 . . 30.117 . . 1 . 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 3 199 1 1 . . 8.358 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 3 199 2 1 . . 110.363 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 3 199 3 1 . . 44.854 . . 1 . 1 1 107 GLY CA . . . . . . . . . . 349 . 27700 3 200 1 1 . . 8.374 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 3 200 2 1 . . 110.363 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 3 200 3 1 . . 29.884 . . 1 . 1 1 106 LYS CB . . . . . . . . . . 555 . 27700 3 201 1 1 . . 8.377 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 3 201 2 1 . . 110.363 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 3 201 3 1 . . 57.455 . . 1 . 1 1 106 LYS CA . . . . . . . . . . 556 . 27700 3 202 1 1 . . 8.281 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 3 202 2 1 . . 123.682 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 3 202 3 1 . . 32.962 . . 1 . 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 3 203 1 1 . . 8.281 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 3 203 2 1 . . 123.683 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 3 203 3 1 . . 56.340 . . 1 . 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 3 204 1 1 . . 8.420 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 3 204 2 1 . . 116.570 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 3 204 3 1 . . 63.697 . . 1 . 1 1 33 SER CB . . . . . . . . . . 429 . 27700 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 27700 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength _Spectral_peak_list.Sample_condition_list_ID 4 _Spectral_peak_list.Sample_condition_list_label $CondSet14 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' _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 . . 5172.65981735 . . . . . . . 27700 4 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 4 3 . . C 13 13C . . 16722.40802680 . . . . . . . 27700 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27700 4 2 1.0 . . 27700 4 3 1.0 . . 27700 4 4 1.0 . . 27700 4 5 1.0 . . 27700 4 6 1.0 . . 27700 4 7 1.0 . . 27700 4 8 1.0 . . 27700 4 9 1.0 . . 27700 4 10 1.0 . . 27700 4 11 1.0 . . 27700 4 12 1.0 . . 27700 4 13 1.0 . . 27700 4 14 1.0 . . 27700 4 15 1.0 . . 27700 4 16 1.0 . . 27700 4 17 1.0 . . 27700 4 18 1.0 . . 27700 4 19 1.0 . . 27700 4 20 1.0 . . 27700 4 21 1.0 . . 27700 4 22 1.0 . . 27700 4 23 1.0 . . 27700 4 24 1.0 . . 27700 4 25 1.0 . . 27700 4 26 1.0 . . 27700 4 27 1.0 . . 27700 4 28 1.0 . . 27700 4 29 1.0 . . 27700 4 30 1.0 . . 27700 4 31 1.0 . . 27700 4 32 1.0 . . 27700 4 33 1.0 . . 27700 4 34 1.0 . . 27700 4 35 1.0 . . 27700 4 36 1.0 . . 27700 4 37 1.0 . . 27700 4 38 1.0 . . 27700 4 39 1.0 . . 27700 4 40 1.0 . . 27700 4 41 1.0 . . 27700 4 42 1.0 . . 27700 4 43 1.0 . . 27700 4 44 1.0 . . 27700 4 45 1.0 . . 27700 4 46 1.0 . . 27700 4 47 1.0 . . 27700 4 48 1.0 . . 27700 4 49 1.0 . . 27700 4 50 1.0 . . 27700 4 51 1.0 . . 27700 4 52 1.0 . . 27700 4 53 1.0 . . 27700 4 54 1.0 . . 27700 4 55 1.0 . . 27700 4 56 1.0 . . 27700 4 57 1.0 . . 27700 4 58 1.0 . . 27700 4 59 1.0 . . 27700 4 60 1.0 . . 27700 4 61 1.0 . . 27700 4 62 1.0 . . 27700 4 63 1.0 . . 27700 4 64 1.0 . . 27700 4 65 1.0 . . 27700 4 66 1.0 . . 27700 4 67 1.0 . . 27700 4 68 1.0 . . 27700 4 69 1.0 . . 27700 4 70 1.0 . . 27700 4 71 1.0 . . 27700 4 72 1.0 . . 27700 4 73 1.0 . . 27700 4 74 1.0 . . 27700 4 75 1.0 . . 27700 4 76 1.0 . . 27700 4 77 1.0 . . 27700 4 78 1.0 . . 27700 4 79 1.0 . . 27700 4 80 1.0 . . 27700 4 81 1.0 . . 27700 4 82 1.0 . . 27700 4 83 1.0 . . 27700 4 84 1.0 . . 27700 4 85 1.0 . . 27700 4 86 1.0 . . 27700 4 87 1.0 . . 27700 4 88 1.0 . . 27700 4 89 1.0 . . 27700 4 90 1.0 . . 27700 4 91 1.0 . . 27700 4 92 1.0 . . 27700 4 93 1.0 . . 27700 4 94 1.0 . . 27700 4 95 1.0 . . 27700 4 96 1.0 . . 27700 4 97 1.0 . . 27700 4 98 1.0 . . 27700 4 99 1.0 . . 27700 4 100 1.0 . . 27700 4 101 1.0 . . 27700 4 102 1.0 . . 27700 4 103 1.0 . . 27700 4 104 1.0 . . 27700 4 105 1.0 . . 27700 4 106 1.0 . . 27700 4 107 1.0 . . 27700 4 108 1.0 . . 27700 4 109 1.0 . . 27700 4 110 1.0 . . 27700 4 111 1.0 . . 27700 4 112 1.0 . . 27700 4 113 1.0 . . 27700 4 114 1.0 . . 27700 4 115 1.0 . . 27700 4 116 1.0 . . 27700 4 117 1.0 . . 27700 4 118 1.0 . . 27700 4 119 1.0 . . 27700 4 120 1.0 . . 27700 4 121 1.0 . . 27700 4 122 1.0 . . 27700 4 123 1.0 . . 27700 4 124 1.0 . . 27700 4 125 1.0 . . 27700 4 126 1.0 . . 27700 4 127 1.0 . . 27700 4 128 1.0 . . 27700 4 129 1.0 . . 27700 4 130 1.0 . . 27700 4 131 1.0 . . 27700 4 132 1.0 . . 27700 4 133 1.0 . . 27700 4 134 1.0 . . 27700 4 135 1.0 . . 27700 4 136 1.0 . . 27700 4 137 1.0 . . 27700 4 138 1.0 . . 27700 4 139 1.0 . . 27700 4 140 1.0 . . 27700 4 141 1.0 . . 27700 4 142 1.0 . . 27700 4 143 1.0 . . 27700 4 144 1.0 . . 27700 4 145 1.0 . . 27700 4 146 1.0 . . 27700 4 147 1.0 . . 27700 4 148 1.0 . . 27700 4 149 1.0 . . 27700 4 150 1.0 . . 27700 4 151 1.0 . . 27700 4 152 1.0 . . 27700 4 153 1.0 . . 27700 4 154 1.0 . . 27700 4 155 1.0 . . 27700 4 156 1.0 . . 27700 4 157 1.0 . . 27700 4 158 1.0 . . 27700 4 159 1.0 . . 27700 4 160 1.0 . . 27700 4 161 1.0 . . 27700 4 162 1.0 . . 27700 4 163 1.0 . . 27700 4 164 1.0 . . 27700 4 165 1.0 . . 27700 4 166 1.0 . . 27700 4 167 1.0 . . 27700 4 168 1.0 . . 27700 4 169 1.0 . . 27700 4 170 1.0 . . 27700 4 171 1.0 . . 27700 4 172 1.0 . . 27700 4 173 1.0 . . 27700 4 174 1.0 . . 27700 4 175 1.0 . . 27700 4 176 1.0 . . 27700 4 177 1.0 . . 27700 4 178 1.0 . . 27700 4 179 1.0 . . 27700 4 180 1.0 . . 27700 4 181 1.0 . . 27700 4 182 1.0 . . 27700 4 183 1.0 . . 27700 4 184 1.0 . . 27700 4 185 1.0 . . 27700 4 186 1.0 . . 27700 4 187 1.0 . . 27700 4 188 1.0 . . 27700 4 189 1.0 . . 27700 4 190 1.0 . . 27700 4 191 1.0 . . 27700 4 192 1.0 . . 27700 4 193 1.0 . . 27700 4 194 1.0 . . 27700 4 195 1.0 . . 27700 4 196 1.0 . . 27700 4 197 1.0 . . 27700 4 198 1.0 . . 27700 4 199 1.0 . . 27700 4 200 1.0 . . 27700 4 201 1.0 . . 27700 4 202 1.0 . . 27700 4 203 1.0 . . 27700 4 204 1.0 . . 27700 4 205 1.0 . . 27700 4 206 1.0 . . 27700 4 207 1.0 . . 27700 4 208 1.0 . . 27700 4 209 1.0 . . 27700 4 210 1.0 . . 27700 4 211 1.0 . . 27700 4 212 1.0 . . 27700 4 213 1.0 . . 27700 4 214 1.0 . . 27700 4 215 1.0 . . 27700 4 216 1.0 . . 27700 4 217 1.0 . . 27700 4 218 1.0 . . 27700 4 219 1.0 . . 27700 4 220 1.0 . . 27700 4 221 1.0 . . 27700 4 222 1.0 . . 27700 4 223 1.0 . . 27700 4 224 1.0 . . 27700 4 225 1.0 . . 27700 4 226 1.0 . . 27700 4 227 1.0 . . 27700 4 228 1.0 . . 27700 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 54196.0 . height 27700 4 1 805576.0 . volume 27700 4 2 -52065.5 . height 27700 4 2 -794237.5 . volume 27700 4 3 49254.5 . height 27700 4 3 816365.5 . volume 27700 4 4 -77333.0 . height 27700 4 4 -1026660.0 . volume 27700 4 5 85358.0 . height 27700 4 5 1270376.0 . volume 27700 4 6 -56368.5 . height 27700 4 6 -869845.5 . volume 27700 4 7 135109.5 . height 27700 4 7 1833164.5 . volume 27700 4 8 -94937.5 . height 27700 4 8 -1259736.0 . volume 27700 4 9 749940.5 . height 27700 4 9 9492136.5 . volume 27700 4 10 -853349.5 . height 27700 4 10 -10568820.0 . volume 27700 4 11 3230438.0 . height 27700 4 11 38335350.5 . volume 27700 4 12 -3560947.5 . height 27700 4 12 -41662722.5 . volume 27700 4 13 163339.0 . height 27700 4 13 2265893.0 . volume 27700 4 14 -112212.5 . height 27700 4 14 -1619795.5 . volume 27700 4 15 76695.5 . height 27700 4 15 1140005.5 . volume 27700 4 16 -65188.5 . height 27700 4 16 -867863.0 . volume 27700 4 17 -46242.0 . height 27700 4 17 -647102.5 . volume 27700 4 18 36814.0 . height 27700 4 18 543216.5 . volume 27700 4 19 -82021.0 . height 27700 4 19 -1189827.5 . volume 27700 4 20 66301.0 . height 27700 4 20 904491.5 . volume 27700 4 21 3014498.0 . height 27700 4 21 34313585.5 . volume 27700 4 22 -2932870.5 . height 27700 4 22 -33928543.0 . volume 27700 4 23 106.0 . height 27700 4 23 -16144.0 . volume 27700 4 24 -8890.0 . height 27700 4 24 -112600.5 . volume 27700 4 25 219240.0 . height 27700 4 25 3097245.0 . volume 27700 4 26 -96087.5 . height 27700 4 26 -1287159.0 . volume 27700 4 27 116271.5 . height 27700 4 27 1579778.5 . volume 27700 4 28 39538.0 . height 27700 4 28 944888.0 . volume 27700 4 29 -27929.5 . height 27700 4 29 -629028.0 . volume 27700 4 30 90169.5 . height 27700 4 30 1290542.0 . volume 27700 4 31 -122584.0 . height 27700 4 31 -1768971.0 . volume 27700 4 32 -70114.0 . height 27700 4 32 -1016656.5 . volume 27700 4 33 127136.0 . height 27700 4 33 1611897.5 . volume 27700 4 34 -1272420.5 . height 27700 4 34 -15877615.0 . volume 27700 4 35 1848491.5 . height 27700 4 35 23211633.0 . volume 27700 4 36 -6599.0 . height 27700 4 36 -161535.0 . volume 27700 4 37 -2665371.5 . height 27700 4 37 -30194802.5 . volume 27700 4 38 3262152.0 . height 27700 4 38 37033778.0 . volume 27700 4 39 86425.5 . height 27700 4 39 1221146.0 . volume 27700 4 40 -55751.0 . height 27700 4 40 -723283.5 . volume 27700 4 41 166034.0 . height 27700 4 41 2316518.5 . volume 27700 4 42 -3111214.5 . height 27700 4 42 -38049460.0 . volume 27700 4 43 3488142.5 . height 27700 4 43 42020172.0 . volume 27700 4 44 22659.5 . height 27700 4 44 142410.0 . volume 27700 4 45 127970.5 . height 27700 4 45 1808905.5 . volume 27700 4 46 -320444.0 . height 27700 4 46 -3517981.0 . volume 27700 4 47 298083.0 . height 27700 4 47 4163876.0 . volume 27700 4 48 5356.0 . height 27700 4 48 -25240.5 . volume 27700 4 49 -4838.5 . height 27700 4 49 -49389.5 . volume 27700 4 50 -61926.0 . height 27700 4 50 -886796.5 . volume 27700 4 51 82511.5 . height 27700 4 51 1193849.5 . volume 27700 4 52 16601.0 . height 27700 4 52 377849.0 . volume 27700 4 53 71643.5 . height 27700 4 53 995419.0 . volume 27700 4 54 -53985.5 . height 27700 4 54 -822021.5 . volume 27700 4 55 -134161.0 . height 27700 4 55 -1832891.0 . volume 27700 4 56 90577.5 . height 27700 4 56 1235342.0 . volume 27700 4 57 108908.0 . height 27700 4 57 1450384.5 . volume 27700 4 58 -129948.5 . height 27700 4 58 -1807844.5 . volume 27700 4 59 9534115.0 . height 27700 4 59 100906289.0 . volume 27700 4 60 -73908.0 . height 27700 4 60 -979885.5 . volume 27700 4 61 130249.0 . height 27700 4 61 1694876.5 . volume 27700 4 62 -3330352.5 . height 27700 4 62 -39710003.5 . volume 27700 4 63 4143585.0 . height 27700 4 63 48211834.0 . volume 27700 4 64 22805.5 . height 27700 4 64 81314.0 . volume 27700 4 65 -38165.0 . height 27700 4 65 -216768.5 . volume 27700 4 66 2499473.5 . height 27700 4 66 30896068.5 . volume 27700 4 67 -2475297.0 . height 27700 4 67 -30986444.5 . volume 27700 4 68 247416.0 . height 27700 4 68 3317270.5 . volume 27700 4 69 -246607.0 . height 27700 4 69 -3528427.0 . volume 27700 4 70 527169.5 . height 27700 4 70 6490253.5 . volume 27700 4 71 -634524.0 . height 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21.864548712900 . . . . . . . . . . . 27700 4 38 3 56.237 . 155.174413254000 . . . . . . . . . . . 27700 4 39 1 7.933 . 25.460232882700 . . . . . . . . . . . 27700 4 39 2 114.422 . 27.896419968100 . . . . . . . . . . . 27700 4 39 3 60.691 . 160.114222944000 . . . . . . . . . . . 27700 4 40 1 7.933 . 21.913212183900 . . . . . . . . . . . 27700 4 40 2 114.409 . 23.669689669900 . . . . . . . . . . . 27700 4 40 3 38.043 . 165.861386519000 . . . . . . . . . . . 27700 4 41 1 8.646 . 26.541587696800 . . . . . . . . . . . 27700 4 41 2 119.123 . 26.182829472900 . . . . . . . . . . . 27700 4 41 3 47.595 . 161.089028004000 . . . . . . . . . . . 27700 4 42 1 8.301 . 21.021694081000 . . . . . . . . . . . 27700 4 42 2 123.967 . 24.447631863500 . . . . . . . . . . . 27700 4 42 3 19.200 . 150.126956378000 . . . . . . . . . . . 27700 4 43 1 8.301 . 20.989374210800 . . . . . . . . . . . 27700 4 43 2 123.967 . 24.377989810300 . . . . . . . . . . . 27700 4 43 3 52.056 . 149.477584705000 . . . . . . . . . . . 27700 4 44 1 8.300 . 22.704878898500 . . . . . . . . . . . 27700 4 44 2 123.983 . 13.300340896000 . . . . . . . . . . . 27700 4 44 3 41.551 . 193.365242170000 . . . . . . . . . . . 27700 4 45 1 8.803 . 32.864204824800 . . . . . . . . . . . 27700 4 45 2 126.117 . 27.046984912800 . . . . . . . . . . . 27700 4 45 3 45.690 . 154.321708009000 . . . . . . . . . . . 27700 4 46 1 7.683 . 20.066556865200 . . . . . . . . . . . 27700 4 46 2 114.337 . 26.342257263300 . . . . . . . . . . . 27700 4 46 3 53.256 . 154.782198743000 . . . . . . . . . . . 27700 4 47 1 7.683 . 19.848823003000 . . . . . . . . . . . 27700 4 47 2 114.204 . 24.979373473500 . . . . . . . . . . . 27700 4 47 3 38.809 . 159.604892284000 . . . . . . . . . . . 27700 4 48 1 7.682 . 26.335591050600 . . . . . . . . . . . 27700 4 48 2 114.239 . 20.306210928300 . . . . . . . . . . . 27700 4 48 3 37.731 . 35.822590856600 . . . . . . . . . . . 27700 4 49 1 7.679 . 9.618393362390 . . . . . . . . . . . 27700 4 49 2 114.239 . 39.323914746600 . . . . . . . . . . . 27700 4 49 3 51.520 . 780.505878870000 . . . . . . . . . . . 27700 4 50 1 8.250 . 29.416525200600 . . . . . . . . . . . 27700 4 50 2 119.122 . 24.330815712500 . . . . . . . . . . . 27700 4 50 3 32.142 . 160.412246168000 . . . . . . . . . . . 27700 4 51 1 8.248 . 26.169228771500 . . . . . . . . . . . 27700 4 51 2 119.115 . 25.432864618300 . . . . . . . . . . . 27700 4 51 3 60.839 . 178.508933970000 . . . . . . . . . . . 27700 4 52 1 8.248 . 21.906408000800 . . . . . . . . . . . 27700 4 52 2 119.133 . 22.341756032800 . . . . . . . . . . . 27700 4 52 3 60.262 . 331.297167966000 . . . . . . . . . . . 27700 4 53 1 8.331 . 24.051596857100 . . . . . . . . . . . 27700 4 53 2 117.426 . 28.719211988300 . . . . . . . . . . . 27700 4 53 3 58.835 . 148.441978920000 . . . . . . . . . . . 27700 4 54 1 8.330 . 26.426256791600 . . . . . . . . . . . 27700 4 54 2 117.420 . 29.485877162100 . . . . . . . . . . . 27700 4 54 3 29.392 . 169.210410038000 . . . . . . . . . . . 27700 4 55 1 8.806 . 25.424681025600 . . . . . . . . . . . 27700 4 55 2 119.045 . 26.828546457900 . . . . . . . . . . . 27700 4 55 3 39.840 . 158.089857835000 . . . . . . . . . . . 27700 4 56 1 8.805 . 25.443392529300 . . . . . . . . . . . 27700 4 56 2 119.050 . 24.735927581800 . . . . . . . . . . . 27700 4 56 3 56.310 . 154.956627052000 . . . . . . . . . . . 27700 4 57 1 7.687 . 18.262087482300 . . . . . . . . . . . 27700 4 57 2 113.392 . 109.029325841000 . . . . . . . . . . . 27700 4 57 3 38.705 . 146.125072620000 . . . . . . . . . . . 27700 4 58 1 7.687 . 18.640400067900 . . . . . . . . . . . 27700 4 58 2 113.394 . 43.414976471500 . . . . . . . . . . . 27700 4 58 3 53.127 . 146.574100922000 . . . . . . . . . . . 27700 4 59 1 8.309 . 22.194905368200 . . . . . . . . . . . 27700 4 59 2 109.371 . 19.989077029800 . . . . . . . . . . . 27700 4 59 3 45.208 . 144.824834173000 . . . . . . . . . . . 27700 4 60 1 7.423 . 25.221406052600 . . . . . . . . . . . 27700 4 60 2 117.234 . 23.668484492200 . . . . . . . . . . . 27700 4 60 3 29.151 . 165.560373096000 . . . . . . . . . . . 27700 4 61 1 7.424 . 25.518748858200 . . . . . . . . . . . 27700 4 61 2 117.232 . 25.379664632100 . . . . . . . . . . . 27700 4 61 3 61.012 . 152.009037825000 . . . . . . . . . . . 27700 4 62 1 8.485 . 21.538812003700 . . . . . . . . . . . 27700 4 62 2 126.809 . 22.171567727300 . . . . . . . . . . . 27700 4 62 3 33.091 . 161.152818929000 . . . . . . . . . . . 27700 4 63 1 8.485 . 21.427903817700 . . . . . . . . . . . 27700 4 63 2 126.810 . 22.078467751400 . . . . . . . . . . . 27700 4 63 3 56.247 . 155.112615796000 . . . . . . . . . . . 27700 4 64 1 8.482 . 14.813047021500 . . . . . . . . . . . 27700 4 64 2 126.811 . 13.431231800600 . . . . . . . . . . . 27700 4 64 3 52.615 . 216.549754541000 . . . . . . . . . . . 27700 4 65 1 8.486 . 19.148162238700 . . . . . . . . . . . 27700 4 65 2 126.811 . 11.101063795000 . . . . . . . . . . . 27700 4 65 3 19.131 . 150.484783594000 . . . . . . . . . . . 27700 4 66 1 8.465 . 22.051507207400 . . . . . . . . . . . 27700 4 66 2 125.474 . 24.340371049800 . . . . . . . . . . . 27700 4 66 3 61.837 . 150.233606830000 . . . . . . . . . . . 27700 4 67 1 8.465 . 21.840067214600 . . . . . . . . . . . 27700 4 67 2 125.473 . 24.204444224100 . . . . . . . . . . . 27700 4 67 3 69.861 . 155.257266700000 . . . . . . . . . . . 27700 4 68 1 8.405 . 28.616523361600 . . . . . . . . . . . 27700 4 68 2 117.732 . 26.006701363100 . . . . . . . . . . . 27700 4 68 3 53.149 . 155.153980223000 . . . . . . . . . . . 27700 4 69 1 8.405 . 27.810227653200 . . . . . . . . . . . 27700 4 69 2 117.730 . 25.254670489700 . . . . . . . . . . . 27700 4 69 3 38.819 . 162.670843577000 . . . . . . . . . . . 27700 4 70 1 8.092 . 24.715515032200 . . . . . . . . . . . 27700 4 70 2 123.815 . 23.276199156800 . . . . . . . . . . . 27700 4 70 3 52.323 . 157.485837522000 . . . . . . . . . . . 27700 4 71 1 8.092 . 23.467117520800 . . . . . . . . . . . 27700 4 71 2 123.822 . 24.067226136600 . . . . . . . . . . . 27700 4 71 3 38.463 . 165.431794514000 . . . . . . . . . . . 27700 4 72 1 8.604 . 20.676551888500 . . . . . . . . . . . 27700 4 72 2 125.270 . 23.175652904500 . . . . . . . . . . . 27700 4 72 3 32.689 . 159.167326414000 . . . . . . . . . . . 27700 4 73 1 8.604 . 20.705639771700 . . . . . . . . . . . 27700 4 73 2 125.270 . 23.172898212700 . . . . . . . . . . . 27700 4 73 3 62.525 . 152.423429649000 . . . . . . . . . . . 27700 4 74 1 7.178 . 27.465765879000 . . . . . . . . . . . 27700 4 74 2 125.077 . 26.009025634300 . . . . . . . . . . . 27700 4 74 3 29.021 . 188.446363876000 . . . . . . . . . . . 27700 4 75 1 7.179 . 23.475112436000 . . . . . . . . . . . 27700 4 75 2 125.075 . 27.800177921800 . . . . . . . . . . . 27700 4 75 3 53.515 . 163.872405438000 . . . . . . . . . . . 27700 4 76 1 8.150 . 24.956383117300 . . . . . . . . . . . 27700 4 76 2 118.909 . 27.320258952100 . . . . . . . . . . . 27700 4 76 3 59.095 . 155.038359173000 . . . . . . . . . . . 27700 4 77 1 8.150 . 28.933938507600 . . . . . . . . . . . 27700 4 77 2 118.913 . 27.713835549300 . . . . . . . . . . . 27700 4 77 3 30.196 . 183.260361088000 . . . . . . . . . . . 27700 4 78 1 7.087 . 28.161833819700 . . . . . . . . . . . 27700 4 78 2 127.524 . 27.182739570200 . . . . . . . . . . . 27700 4 78 3 40.070 . 163.438328134000 . . . . . . . . . . . 27700 4 79 1 7.091 . 35.563084088500 . . . . . . . . . . . 27700 4 79 2 127.532 . 26.662102811700 . . . . . . . . . . . 27700 4 79 3 60.410 . 152.374091356000 . . . . . . . . . . . 27700 4 80 1 8.362 . 25.409031404200 . . . . . . . . . . . 27700 4 80 2 123.673 . 25.353925480200 . . . . . . . . . . . 27700 4 80 3 57.610 . 149.521939332000 . . . . . . . . . . . 27700 4 81 1 8.362 . 26.468442727400 . . . . . . . . . . . 27700 4 81 2 123.706 . 29.896326246900 . . . . . . . . . . . 27700 4 81 3 41.929 . 182.972305196000 . . . . . . . . . . . 27700 4 82 1 8.282 . 21.269876663000 . . . . . . . . . . . 27700 4 82 2 123.678 . 21.121857966500 . . . . . . . . . . . 27700 4 82 3 32.940 . 155.874119953000 . . . . . . . . . . . 27700 4 83 1 8.281 . 21.288928375900 . . . . . . . . . . . 27700 4 83 2 123.679 . 21.493052692500 . . . . . . . . . . . 27700 4 83 3 56.307 . 158.372930061000 . . . . . . . . . . . 27700 4 84 1 8.285 . 25.604651671000 . . . . . . . . . . . 27700 4 84 2 118.536 . 27.740177290100 . . . . . . . . . . . 27700 4 84 3 37.385 . 198.594104486000 . . . . . . . . . . . 27700 4 85 1 8.286 . 24.821320080900 . . . . . . . . . . . 27700 4 85 2 118.560 . 27.758254955300 . . . . . . . . . . . 27700 4 85 3 60.447 . 165.461447327000 . . . . . . . . . . . 27700 4 86 1 8.429 . 22.259034794800 . . . . . . . . . . . 27700 4 86 2 123.785 . 25.983889071300 . . . . . . . . . . . 27700 4 86 3 32.945 . 155.624936656000 . . . . . . . . . . . 27700 4 87 1 8.429 . 22.075832162300 . . . . . . . . . . . 27700 4 87 2 123.784 . 26.917299185800 . . . . . . . . . . . 27700 4 87 3 56.470 . 148.561586903000 . . . . . . . . . . . 27700 4 88 1 8.041 . 26.994235983700 . . . . . . . . . . . 27700 4 88 2 111.906 . 25.679926043100 . . . . . . . . . . . 27700 4 88 3 44.919 . 156.473156600000 . . . . . . . . . . . 27700 4 89 1 8.620 . 28.133256250300 . . . . . . . . . . . 27700 4 89 2 113.486 . 26.776982070000 . . . . . . . . . . . 27700 4 89 3 44.799 . 163.191138303000 . . . . . . . . . . . 27700 4 90 1 8.569 . 30.724289210400 . . . . . . . . . . . 27700 4 90 2 127.673 . 28.488549588400 . . . . . . . . . . . 27700 4 90 3 54.963 . 158.920136582000 . . . . . . . . . . . 27700 4 91 1 8.571 . 28.891922676400 . . . . . . . . . . . 27700 4 91 2 127.675 . 26.672475948100 . . . . . . . . . . . 27700 4 91 3 29.341 . 179.060127424000 . . . . . . . . . . . 27700 4 92 1 8.228 . 25.752642655500 . . . . . . . . . . . 27700 4 92 2 118.374 . 27.767035535600 . . . . . . . . . . . 27700 4 92 3 37.877 . 150.254538227000 . . . . . . . . . . . 27700 4 93 1 8.228 . 27.550307855200 . . . . . . . . . . . 27700 4 93 2 118.388 . 29.244066868700 . . . . . . . . . . . 27700 4 93 3 63.833 . 160.283418403000 . . . . . . . . . . . 27700 4 94 1 7.305 . 24.262696640700 . . . . . . . . . . . 27700 4 94 2 111.404 . 25.141555955800 . . . . . . . . . . . 27700 4 94 3 54.800 . 147.054526319000 . . . . . . . . . . . 27700 4 95 1 7.304 . 21.200133785300 . . . . . . . . . . . 27700 4 95 2 111.405 . 26.461742022100 . . . . . . . . . . . 27700 4 95 3 18.699 . 152.940734174000 . . . . . . . . . . . 27700 4 96 1 8.212 . 25.482006269000 . . . . . . . . . . . 27700 4 96 2 108.079 . 22.919036142400 . . . . . . . . . . . 27700 4 96 3 39.463 . 160.598635275000 . . . . . . . . . . . 27700 4 97 1 8.212 . 25.281623073900 . . . . . . . . . . . 27700 4 97 2 108.078 . 23.239096901000 . . . . . . . . . . . 27700 4 97 3 52.836 . 148.537665307000 . . . . . . . . . . . 27700 4 98 1 8.522 . 23.736222966100 . . . . . . . . . . . 27700 4 98 2 124.062 . 24.076695389900 . . . . . . . . . . . 27700 4 98 3 56.128 . 152.840562489000 . . . . . . . . . . . 27700 4 99 1 8.522 . 23.897652212300 . . . . . . . . . . . 27700 4 99 2 124.060 . 23.766189968600 . . . . . . . . . . . 27700 4 99 3 30.836 . 163.431351001000 . . . . . . . . . . . 27700 4 100 1 8.524 . 21.191968765400 . . . . . . . . . . . 27700 4 100 2 124.075 . 18.023690483200 . . . . . . . . . . . 27700 4 100 3 56.928 . 471.212592811000 . . . . . . . . . . . 27700 4 101 1 8.986 . 25.114240167300 . . . . . . . . . . . 27700 4 101 2 125.006 . 25.961679368300 . . . . . . . . . . . 27700 4 101 3 53.366 . 164.682749522000 . . . . . . . . . . . 27700 4 102 1 8.985 . 25.502078609400 . . . . . . . . . . . 27700 4 102 2 125.002 . 25.204569531800 . . . . . . . . . . . 27700 4 102 3 44.576 . 180.264679485000 . . . . . . . . . . . 27700 4 103 1 8.442 . 23.480895991700 . . . . . . . . . . . 27700 4 103 2 123.473 . 55.310768863500 . . . . . . . . . . . 27700 4 103 3 32.944 . 158.980937307000 . . . . . . . . . . . 27700 4 104 1 8.442 . 23.518659208500 . . . . . . . . . . . 27700 4 104 2 123.474 . 64.791299097100 . . . . . . . . . . . 27700 4 104 3 56.352 . 151.992840910000 . . . . . . . . . . . 27700 4 105 1 8.306 . 23.613917773200 . . . . . . . . . . . 27700 4 105 2 123.282 . 24.057240378700 . . . . . . . . . . . 27700 4 105 3 32.958 . 155.671783116000 . . . . . . . . . . . 27700 4 106 1 8.327 . 37.651117806000 . . . . . . . . . . . 27700 4 106 2 123.493 . 35.595181083300 . . . . . . . . . . . 27700 4 106 3 32.857 . 161.362132899000 . . . . . . . . . . . 27700 4 107 1 8.326 . 37.818330608000 . . . . . . . . . . . 27700 4 107 2 123.443 . 36.087151829900 . . . . . . . . . . . 27700 4 107 3 56.407 . 154.756782047000 . . . . . . . . . . . 27700 4 108 1 8.188 . 21.884974823700 . . . . . . . . . . . 27700 4 108 2 121.943 . 23.585068979800 . . . . . . . . . . . 27700 4 108 3 52.362 . 148.958785079000 . . . . . . . . . . . 27700 4 109 1 8.188 . 21.769303709400 . . . . . . . . . . . 27700 4 109 2 121.945 . 23.650492911100 . . . . . . . . . . . 27700 4 109 3 19.026 . 151.378853265000 . . . . . . . . . . . 27700 4 110 1 8.074 . 23.375941466000 . . . . . . . . . . . 27700 4 110 2 109.996 . 26.611356222900 . . . . . . . . . . . 27700 4 110 3 52.726 . 180.048388382000 . . . . . . . . . . . 27700 4 111 1 8.072 . 25.850282684300 . . . . . . . . . . . 27700 4 111 2 109.996 . 28.693731088700 . . . . . . . . . . . 27700 4 111 3 41.387 . 184.957797711000 . . . . . . . . . . . 27700 4 112 1 9.387 . 25.515516871200 . . . . . . . . . . . 27700 4 112 2 121.675 . 27.056755460400 . . . . . . . . . . . 27700 4 112 3 56.759 . 140.325082186000 . . . . . . . . . . . 27700 4 113 1 9.392 . 27.053092168300 . . . . . . . . . . . 27700 4 113 2 121.632 . 23.839877975400 . . . . . . . . . . . 27700 4 113 3 65.512 . 142.254010092000 . . . . . . . . . . . 27700 4 114 1 8.460 . 20.176274319200 . . . . . . . . . . . 27700 4 114 2 120.507 . 20.851812081700 . . . . . . . . . . . 27700 4 114 3 53.220 . 155.592044460000 . . . . . . . . . . . 27700 4 115 1 8.460 . 20.206893143600 . . . . . . . . . . . 27700 4 115 2 120.508 . 20.824351247400 . . . . . . . . . . . 27700 4 115 3 18.929 . 150.048214456000 . . . . . . . . . . . 27700 4 116 1 8.307 . 24.694762273500 . . . . . . . . . . . 27700 4 116 2 123.279 . 24.835182572300 . . . . . . . . . . . 27700 4 116 3 56.347 . 149.809496857000 . . . . . . . . . . . 27700 4 117 1 8.305 . 22.746554520600 . . . . . . . . . . . 27700 4 117 2 123.207 . 26.562632610900 . . . . . . . . . . . 27700 4 117 3 32.975 . 200.070266341000 . . . . . . . . . . . 27700 4 118 1 8.301 . 22.861715321100 . . . . . . . . . . . 27700 4 118 2 123.162 . 14.710226615400 . . . . . . . . . . . 27700 4 118 3 62.330 . 226.403708043000 . . . . . . . . . . . 27700 4 119 1 8.345 . 22.193714636100 . . . . . . . . . . . 27700 4 119 2 118.840 . 22.172858989100 . . . . . . . . . . . 27700 4 119 3 32.727 . 170.395525802000 . . . . . . . . . . . 27700 4 120 1 8.345 . 22.443598263900 . . . . . . . . . . . 27700 4 120 2 118.841 . 22.206603964200 . . . . . . . . . . . 27700 4 120 3 62.309 . 156.911220838000 . . . . . . . . . . . 27700 4 121 1 8.346 . 18.226875834300 . . . . . . . . . . . 27700 4 121 2 118.797 . 15.633909224400 . . . . . . . . . . . 27700 4 121 3 61.635 . 422.870285535000 . . . . . . . . . . . 27700 4 122 1 8.375 . 22.062564005000 . . . . . . . . . . . 27700 4 122 2 121.602 . 23.929061123800 . . . . . . . . . . . 27700 4 122 3 62.873 . 155.286296554000 . . . . . . . . . . . 27700 4 123 1 8.375 . 21.899263608400 . . . . . . . . . . . 27700 4 123 2 121.601 . 23.867597062100 . . . . . . . . . . . 27700 4 123 3 32.044 . 154.121863005000 . . . . . . . . . . . 27700 4 124 1 8.380 . 87.643663088500 . . . . . . . . . . . 27700 4 124 2 121.624 . 55.305862068600 . . . . . . . . . . . 27700 4 124 3 62.229 . 0.614735195071 . . . . . . . . . . . 27700 4 125 1 8.372 . 16.626021633400 . . . . . . . . . . . 27700 4 125 2 121.624 . 24.619369683100 . . . . . . . . . . . 27700 4 125 3 32.873 . 443.372838075000 . . . . . . . . . . . 27700 4 126 1 8.385 . 22.132136778200 . . . . . . . . . . . 27700 4 126 2 120.507 . 21.192791281500 . . . . . . . . . . . 27700 4 126 3 62.224 . 152.360884641000 . . . . . . . . . . . 27700 4 127 1 8.385 . 22.308195018300 . . . . . . . . . . . 27700 4 127 2 120.506 . 21.221285125300 . . . . . . . . . . . 27700 4 127 3 32.854 . 169.131668116000 . . . . . . . . . . . 27700 4 128 1 8.189 . 20.750717485300 . . . . . . . . . . . 27700 4 128 2 123.620 . 24.199709597500 . . . . . . . . . . . 27700 4 128 3 19.049 . 155.119592928000 . . . . . . . . . . . 27700 4 129 1 8.189 . 20.886120730900 . . . . . . . . . . . 27700 4 129 2 123.619 . 24.188346493700 . . . . . . . . . . . 27700 4 129 3 52.553 . 149.609153486000 . . . . . . . . . . . 27700 4 130 1 8.425 . 20.957394549800 . . . . . . . . . . . 27700 4 130 2 123.107 . 23.501739551500 . . . . . . . . . . . 27700 4 130 3 30.361 . 159.172310080000 . . . . . . . . . . . 27700 4 131 1 8.425 . 20.786779656300 . . . . . . . . . . . 27700 4 131 2 123.106 . 24.195147139200 . . . . . . . . . . . 27700 4 131 3 56.468 . 149.369439154000 . . . . . . . . . . . 27700 4 132 1 8.503 . 26.007969629800 . . . . . . . . . . . 27700 4 132 2 120.484 . 23.921743973600 . . . . . . . . . . . 27700 4 132 3 56.275 . 163.422878769000 . . . . . . . . . . . 27700 4 133 1 8.504 . 26.506205944200 . . . . . . . . . . . 27700 4 133 2 120.486 . 22.873325474600 . . . . . . . . . . . 27700 4 133 3 33.109 . 155.622943189000 . . . . . . . . . . . 27700 4 134 1 8.458 . 85.822353352200 . . . . . . . . . . . 27700 4 134 2 123.077 . 30.574496945200 . . . . . . . . . . . 27700 4 134 3 42.593 . 209.475440724000 . . . . . . . . . . . 27700 4 135 1 8.469 . 89.948239936100 . . . . . . . . . . . 27700 4 135 2 123.077 . 31.534593137000 . . . . . . . . . . . 27700 4 135 3 56.073 . 176.873793171000 . . . . . . . . . . . 27700 4 136 1 8.279 . 24.414770135100 . . . . . . . . . . . 27700 4 136 2 118.857 . 24.713373542300 . . . . . . . . . . . 27700 4 136 3 27.366 . 179.624278410000 . . . . . . . . . . . 27700 4 137 1 8.279 . 25.013198046900 . . . . . . . . . . . 27700 4 137 2 118.850 . 25.576366846600 . . . . . . . . . . . 27700 4 137 3 58.023 . 164.789399973000 . . . . . . . . . . . 27700 4 138 1 8.122 . 24.798185858000 . . . . . . . . . . . 27700 4 138 2 116.326 . 24.209264934900 . . . . . . . . . . . 27700 4 138 3 53.093 . 154.253930152000 . . . . . . . . . . . 27700 4 139 1 8.121 . 25.304927401300 . . . . . . . . . . . 27700 4 139 2 116.326 . 23.940510311800 . . . . . . . . . . . 27700 4 139 3 19.047 . 154.585343938000 . . . . . . . . . . . 27700 4 140 1 7.741 . 23.392441610200 . . . . . . . . . . . 27700 4 140 2 120.418 . 26.431182159400 . . . . . . . . . . . 27700 4 140 3 28.066 . 181.284835905000 . . . . . . . . . . . 27700 4 141 1 7.740 . 26.002866492400 . . . . . . . . . . . 27700 4 141 2 120.406 . 25.933702029200 . . . . . . . . . . . 27700 4 141 3 58.745 . 164.431572758000 . . . . . . . . . . . 27700 4 142 1 8.408 . 21.059457297700 . . . . . . . . . . . 27700 4 142 2 122.804 . 25.200781830500 . . . . . . . . . . . 27700 4 142 3 42.429 . 160.583185910000 . . . . . . . . . . . 27700 4 143 1 8.408 . 20.728944099100 . . . . . . . . . . . 27700 4 143 2 122.804 . 25.226348814100 . . . . . . . . . . . 27700 4 143 3 55.088 . 150.351221346000 . . . . . . . . . . . 27700 4 144 1 8.411 . 53.206331109300 . . . . . . . . . . . 27700 4 144 2 122.804 . 109.342499870000 . . . . . . . . . . . 27700 4 144 3 30.341 . 132.414010855000 . . . . . . . . . . . 27700 4 145 1 8.404 . 32.239580807600 . . . . . . . . . . . 27700 4 145 2 122.804 . 117.897109308000 . . . . . . . . . . . 27700 4 145 3 56.480 . 90.880637184800 . . . . . . . . . . . 27700 4 146 1 8.812 . 22.392566889900 . . . . . . . . . . . 27700 4 146 2 121.400 . 24.830792282200 . . . . . . . . . . . 27700 4 146 3 34.857 . 188.290873499000 . . . . . . . . . . . 27700 4 147 1 8.810 . 24.123551094400 . . . . . . . . . . . 27700 4 147 2 121.350 . 25.734159038800 . . . . . . . . . . . 27700 4 147 3 57.828 . 147.954576390000 . . . . . . . . . . . 27700 4 148 1 7.487 . 26.002866492400 . . . . . . . . . . . 27700 4 148 2 105.016 . 26.455371797200 . . . . . . . . . . . 27700 4 148 3 42.227 . 175.071699563000 . . . . . . . . . . . 27700 4 149 1 7.487 . 26.543799056300 . . . . . . . . . . . 27700 4 149 2 105.015 . 25.947991993200 . . . . . . . . . . . 27700 4 149 3 57.203 . 145.975064274000 . . . . . . . . . . . 27700 4 150 1 8.075 . 21.994011859400 . . . . . . . . . . . 27700 4 150 2 120.383 . 20.306469180700 . . . . . . . . . . . 27700 4 150 3 45.564 . 148.526202875000 . . . . . . . . . . . 27700 4 151 1 8.973 . 25.754343701300 . . . . . . . . . . . 27700 4 151 2 122.468 . 27.386457640500 . . . . . . . . . . . 27700 4 151 3 48.148 . 155.661317417000 . . . . . . . . . . . 27700 4 152 1 8.329 . 20.938342836900 . . . . . . . . . . . 27700 4 152 2 124.014 . 20.950636651600 . . . . . . . . . . . 27700 4 152 3 30.062 . 162.210352843000 . . . . . . . . . . . 27700 4 153 1 8.329 . 20.955863608600 . . . . . . . . . . . 27700 4 153 2 124.013 . 21.069088400900 . . . . . . . . . . . 27700 4 153 3 56.505 . 155.224748280000 . . . . . . . . . . . 27700 4 154 1 7.430 . 26.078052716700 . . . . . . . . . . . 27700 4 154 2 121.331 . 28.518722072500 . . . . . . . . . . . 27700 4 154 3 67.846 . 224.049673431000 . . . . . . . . . . . 27700 4 155 1 7.432 . 23.438710055900 . . . . . . . . . . . 27700 4 155 2 121.338 . 24.543357405100 . . . . . . . . . . . 27700 4 155 3 66.588 . 179.907599819000 . . . . . . . . . . . 27700 4 156 1 8.385 . 23.646067538800 . . . . . . . . . . . 27700 4 156 2 124.461 . 22.489476383000 . . . . . . . . . . . 27700 4 156 3 63.551 . 153.780980254000 . . . . . . . . . . . 27700 4 157 1 8.385 . 23.596397001500 . . . . . . . . . . . 27700 4 157 2 124.460 . 22.694184420600 . . . . . . . . . . . 27700 4 157 3 58.587 . 155.871628120000 . . . . . . . . . . . 27700 4 158 1 8.385 . 20.142083298700 . . . . . . . . . . . 27700 4 158 2 124.361 . 15.214679559300 . . . . . . . . . . . 27700 4 158 3 56.508 . 472.925478798000 . . . . . . . . . . . 27700 4 159 1 9.312 . 25.689023542600 . . . . . . . . . . . 27700 4 159 2 120.233 . 25.047121676000 . . . . . . . . . . . 27700 4 159 3 38.886 . 166.987695024000 . . . . . . . . . . . 27700 4 160 1 9.313 . 26.246456250800 . . . . . . . . . . . 27700 4 160 2 120.224 . 27.063814358200 . . . . . . . . . . . 27700 4 160 3 65.399 . 171.190669704000 . . . . . . . . . . . 27700 4 161 1 8.438 . 32.723188128100 . . . . . . . . . . . 27700 4 161 2 109.822 . 26.113273503800 . . . . . . . . . . . 27700 4 161 3 63.826 . 134.669618064000 . . . . . . . . . . . 27700 4 162 1 8.432 . 31.547255167700 . . . . . . . . . . . 27700 4 162 2 109.785 . 32.225073864500 . . . . . . . . . . . 27700 4 162 3 32.034 . 200.130070332000 . . . . . . . . . . . 27700 4 163 1 7.897 . 20.923883947600 . . . . . . . . . . . 27700 4 163 2 121.146 . 29.188026106500 . . . . . . . . . . . 27700 4 163 3 62.423 . 154.740086766000 . . . . . . . . . . . 27700 4 164 1 8.194 . 21.738514780500 . . . . . . . . . . . 27700 4 164 2 125.079 . 21.314083806800 . . . . . . . . . . . 27700 4 164 3 32.670 . 159.223143472000 . . . . . . . . . . . 27700 4 165 1 8.194 . 21.799582324600 . . . . . . . . . . . 27700 4 165 2 125.079 . 21.649811875300 . . . . . . . . . . . 27700 4 165 3 55.651 . 152.014270674000 . . . . . . . . . . . 27700 4 166 1 8.192 . 19.861921055700 . . . . . . . . . . . 27700 4 166 2 125.162 . 11.752204079600 . . . . . . . . . . . 27700 4 166 3 52.432 . 191.845722422000 . . . . . . . . . . . 27700 4 167 1 8.534 . 33.337946079600 . . . . . . . . . . . 27700 4 167 2 120.260 . 24.742211722600 . . . . . . . . . . . 27700 4 167 3 58.667 . 155.727600174000 . . . . . . . . . . . 27700 4 168 1 8.533 . 32.315447450200 . . . . . . . . . . . 27700 4 168 2 120.316 . 29.407282360400 . . . . . . . . . . . 27700 4 168 3 32.644 . 238.678726464000 . . . . . . . . . . . 27700 4 169 1 8.529 . 33.218192455400 . . . . . . . . . . . 27700 4 169 2 120.269 . 35.928670964700 . . . . . . . . . . . 27700 4 169 3 38.820 . 725.167252148000 . . . . . . . . . . . 27700 4 170 1 9.083 . 23.835564040700 . . . . . . . . . . . 27700 4 170 2 122.294 . 25.482707323900 . . . . . . . . . . . 27700 4 170 3 53.417 . 154.220041224000 . . . . . . . . . . . 27700 4 171 1 9.083 . 24.380409009900 . . . . . . . . . . . 27700 4 171 2 122.295 . 24.923677047800 . . . . . . . . . . . 27700 4 171 3 37.408 . 178.878721984000 . . . . . . . . . . . 27700 4 172 1 9.036 . 24.682854952900 . . . . . . . . . . . 27700 4 172 2 125.170 . 25.668132518600 . . . . . . . . . . . 27700 4 172 3 57.284 . 151.004579952000 . . . . . . . . . . . 27700 4 173 1 9.036 . 25.591383513800 . . . . . . . . . . . 27700 4 173 2 125.173 . 28.405607538600 . . . . . . . . . . . 27700 4 173 3 30.020 . 165.168656952000 . . . . . . . . . . . 27700 4 174 1 8.625 . 27.592493791000 . . . . . . . . . . . 27700 4 174 2 121.087 . 21.539796369700 . . . . . . . . . . . 27700 4 174 3 33.026 . 162.090744861000 . . . . . . . . . . . 27700 4 175 1 8.625 . 26.910714635000 . . . . . . . . . . . 27700 4 175 2 121.084 . 22.086086196100 . . . . . . . . . . . 27700 4 175 3 56.579 . 155.600018326000 . . . . . . . . . . . 27700 4 176 1 8.077 . 21.435048210000 . . . . . . . . . . . 27700 4 176 2 128.919 . 21.733916060600 . . . . . . . . . . . 27700 4 176 3 55.635 . 150.056686688000 . . . . . . . . . . . 27700 4 177 1 8.077 . 21.452228772600 . . . . . . . . . . . 27700 4 177 2 128.919 . 21.890115696600 . . . . . . . . . . . 27700 4 177 3 31.002 . 161.586397866000 . . . . . . . . . . . 27700 4 178 1 8.587 . 25.294040708200 . . . . . . . . . . . 27700 4 178 2 120.170 . 25.945323385400 . . . . . . . . . . . 27700 4 178 3 58.918 . 157.318884712000 . . . . . . . . . . . 27700 4 179 1 8.587 . 26.517262741900 . . . . . . . . . . . 27700 4 179 2 120.162 . 23.973910950400 . . . . . . . . . . . 27700 4 179 3 40.635 . 171.055363173000 . . . . . . . . . . . 27700 4 180 1 8.441 . 24.383811101500 . . . . . . . . . . . 27700 4 180 2 120.979 . 28.298260640900 . . . . . . . . . . . 27700 4 180 3 38.465 . 210.022647245000 . . . . . . . . . . . 27700 4 181 1 8.441 . 27.247351598500 . . . . . . . . . . . 27700 4 181 2 120.994 . 29.073878563200 . . . . . . . . . . . 27700 4 181 3 67.061 . 146.662311809000 . . . . . . . . . . . 27700 4 182 1 8.325 . 24.113685028700 . . . . . . . . . . . 27700 4 182 2 120.169 . 31.366470850400 . . . . . . . . . . . 27700 4 182 3 55.055 . 147.271814155000 . . . . . . . . . . . 27700 4 183 1 8.327 . 28.919989932100 . . . . . . . . . . . 27700 4 183 2 120.173 . 29.245013794000 . . . . . . . . . . . 27700 4 183 3 18.110 . 157.634350767000 . . . . . . . . . . . 27700 4 184 1 7.608 . 24.792062093100 . . . . . . . . . . . 27700 4 184 2 122.088 . 25.359434863900 . . . . . . . . . . . 27700 4 184 3 60.030 . 154.057822897000 . . . . . . . . . . . 27700 4 185 1 7.609 . 24.753278248900 . . . . . . . . . . . 27700 4 185 2 122.071 . 25.596940951300 . . . . . . . . . . . 27700 4 185 3 32.156 . 155.010949010000 . . . . . . . . . . . 27700 4 186 1 8.173 . 20.752588635700 . . . . . . . . . . . 27700 4 186 2 121.028 . 24.681350249600 . . . . . . . . . . . 27700 4 186 3 18.923 . 151.406761795000 . . . . . . . . . . . 27700 4 187 1 8.173 . 20.705809876300 . . . . . . . . . . . 27700 4 187 2 121.026 . 24.629269357000 . . . . . . . . . . . 27700 4 187 3 52.766 . 155.602011792000 . . . . . . . . . . . 27700 4 188 1 8.211 . 22.729373958000 . . . . . . . . . . . 27700 4 188 2 116.977 . 20.859043147800 . . . . . . . . . . . 27700 4 188 3 61.554 . 154.993755363000 . . . . . . . . . . . 27700 4 189 1 8.211 . 22.740090546500 . . . . . . . . . . . 27700 4 189 2 116.976 . 20.880908514300 . . . . . . . . . . . 27700 4 189 3 69.894 . 163.018454277000 . . . . . . . . . . . 27700 4 190 1 8.834 . 25.901654267400 . . . . . . . . . . . 27700 4 190 2 119.999 . 25.922080673000 . . . . . . . . . . . 27700 4 190 3 57.605 . 155.481905443000 . . . . . . . . . . . 27700 4 191 1 8.834 . 26.984710127300 . . . . . . . . . . . 27700 4 191 2 119.993 . 24.553515331200 . . . . . . . . . . . 27700 4 191 3 42.928 . 149.781588328000 . . . . . . . . . . . 27700 4 192 1 8.775 . 26.796064148200 . . . . . . . . . . . 27700 4 192 2 121.930 . 26.003688418900 . . . . . . . . . . . 27700 4 192 3 57.236 . 150.027781426000 . . . . . . . . . . . 27700 4 193 1 8.775 . 23.207537931900 . . . . . . . . . . . 27700 4 193 2 121.934 . 26.220878654000 . . . . . . . . . . . 27700 4 193 3 66.743 . 158.003142047000 . . . . . . . . . . . 27700 4 194 1 7.966 . 25.225488562600 . . . . . . . . . . . 27700 4 194 2 121.001 . 27.365453115200 . . . . . . . . . . . 27700 4 194 3 65.242 . 164.963080732000 . . . . . . . . . . . 27700 4 195 1 7.967 . 23.683320441700 . . . . . . . . . . . 27700 4 195 2 121.038 . 25.468503444100 . . . . . . . . . . . 27700 4 195 3 32.213 . 175.323374694000 . . . . . . . . . . . 27700 4 196 1 7.024 . 25.966123903200 . . . . . . . . . . . 27700 4 196 2 104.609 . 28.741593859500 . . . . . . . . . . . 27700 4 196 3 38.441 . 184.971751975000 . . . . . . . . . . . 27700 4 197 1 7.021 . 29.328411028300 . . . . . . . . . . . 27700 4 197 2 104.580 . 26.424725850400 . . . . . . . . . . . 27700 4 197 3 51.775 . 159.403053813000 . . . . . . . . . . . 27700 4 198 1 8.033 . 25.776627401200 . . . . . . . . . . . 27700 4 198 2 120.052 . 25.886958352000 . . . . . . . . . . . 27700 4 198 3 42.201 . 163.518565156000 . . . . . . . . . . . 27700 4 199 1 8.033 . 24.666184704100 . . . . . . . . . . . 27700 4 199 2 120.037 . 26.226818458300 . . . . . . . . . . . 27700 4 199 3 58.317 . 160.069868317000 . . . . . . . . . . . 27700 4 200 1 8.309 . 25.847390906500 . . . . . . . . . . . 27700 4 200 2 121.937 . 25.979843117600 . . . . . . . . . . . 27700 4 200 3 38.685 . 158.981934040000 . . . . . . . . . . . 27700 4 201 1 8.309 . 25.930401941400 . . . . . . . . . . . 27700 4 201 2 121.937 . 25.317597981500 . . . . . . . . . . . 27700 4 201 3 53.104 . 156.981490528000 . . . . . . . . . . . 27700 4 202 1 7.869 . 26.984029708900 . . . . . . . . . . . 27700 4 202 2 120.632 . 25.122359197000 . . . . . . . . . . . 27700 4 202 3 55.821 . 154.765752646000 . . . . . . . . . . . 27700 4 203 1 7.868 . 24.361017087800 . . . . . . . . . . . 27700 4 203 2 120.624 . 24.641235049600 . . . . . . . . . . . 27700 4 203 3 18.218 . 157.626376902000 . . . . . . . . . . . 27700 4 204 1 8.482 . 22.967010056000 . . . . . . . . . . . 27700 4 204 2 109.469 . 21.502780198100 . . . . . . . . . . . 27700 4 204 3 19.112 . 159.455382306000 . . . . . . . . . . . 27700 4 205 1 8.482 . 22.943705728600 . . . . . . . . . . . 27700 4 205 2 109.469 . 21.655837763700 . . . . . . . . . . . 27700 4 205 3 52.634 . 151.210405356000 . . . . . . . . . . . 27700 4 206 1 8.677 . 26.322322893400 . . . . . . . . . . . 27700 4 206 2 112.665 . 21.853142567000 . . . . . . . . . . . 27700 4 206 3 70.121 . 157.708358206000 . . . . . . . . . . . 27700 4 207 1 8.677 . 26.230636524800 . . . . . . . . . . . 27700 4 207 2 112.663 . 21.481086999800 . . . . . . . . . . . 27700 4 207 3 61.298 . 162.026455570000 . . . . . . . . . . . 27700 4 208 1 8.698 . 33.828867897100 . . . . . . . . . . . 27700 4 208 2 115.000 . 27.707207072100 . . . . . . . . . . . 27700 4 208 3 59.545 . 171.353137214000 . . . . . . . . . . . 27700 4 209 1 8.698 . 28.012822207800 . . . . . . . . . . . 27700 4 209 2 114.989 . 24.584075193900 . . . . . . . . . . . 27700 4 209 3 30.092 . 209.877124200000 . . . . . . . . . . . 27700 4 210 1 8.038 . 20.231047993900 . . . . . . . . . . . 27700 4 210 2 117.069 . 24.020568543500 . . . . . . . . . . . 27700 4 210 3 42.415 . 157.109072376000 . . . . . . . . . . . 27700 4 211 1 8.038 . 20.666345613700 . . . . . . . . . . . 27700 4 211 2 117.066 . 24.182751025900 . . . . . . . . . . . 27700 4 211 3 55.012 . 153.721176262000 . . . . . . . . . . . 27700 4 212 1 8.362 . 23.052742764300 . . . . . . . . . . . 27700 4 212 2 116.442 . 23.543318181600 . . . . . . . . . . . 27700 4 212 3 45.142 . 147.636120136000 . . . . . . . . . . . 27700 4 213 1 8.001 . 25.481155746100 . . . . . . . . . . . 27700 4 213 2 115.666 . 29.048397663600 . . . . . . . . . . . 27700 4 213 3 29.394 . 168.905409682000 . . . . . . . . . . . 27700 4 214 1 7.999 . 28.712802553800 . . . . . . . . . . . 27700 4 214 2 115.669 . 28.384861265700 . . . . . . . . . . . 27700 4 214 3 58.239 . 170.843059004000 . . . . . . . . . . . 27700 4 215 1 8.379 . 22.120739771400 . . . . . . . . . . . 27700 4 215 2 110.146 . 23.542973845100 . . . . . . . . . . . 27700 4 215 3 29.909 . 156.765199425000 . . . . . . . . . . . 27700 4 216 1 8.379 . 21.981083911300 . . . . . . . . . . . 27700 4 216 2 110.144 . 23.688800344600 . . . . . . . . . . . 27700 4 216 3 57.421 . 156.153205246000 . . . . . . . . . . . 27700 4 217 1 8.345 . 22.117847993500 . . . . . . . . . . . 27700 4 217 2 118.943 . 23.363574538700 . . . . . . . . . . . 27700 4 217 3 54.744 . 149.229398141000 . . . . . . . . . . . 27700 4 218 1 8.345 . 22.183678465900 . . . . . . . . . . . 27700 4 218 2 118.948 . 22.673954652400 . . . . . . . . . . . 27700 4 218 3 42.395 . 160.299116951000 . . . . . . . . . . . 27700 4 220 1 6.736 . 20.989544315400 . . . . . . . . . . . 27700 4 220 2 117.579 . 31.118892920900 . . . . . . . . . . . 27700 4 220 3 56.700 . 146.018422168000 . . . . . . . . . . . 27700 4 221 1 6.739 . 40.961523034300 . . . . . . . . . . . 27700 4 221 2 117.562 . 38.899347866200 . . . . . . . . . . . 27700 4 221 3 30.789 . 202.019876461000 . . . . . . . . . . . 27700 4 222 1 7.675 . 24.829825309900 . . . . . . . . . . . 27700 4 222 2 114.259 . 24.442552900400 . . . . . . . . . . . 27700 4 222 3 28.255 . 143.965151796000 . . . . . . . . . . . 27700 4 223 1 7.678 . 25.297272695300 . . . . . . . . . . . 27700 4 223 2 114.259 . 28.500558323100 . . . . . . . . . . . 27700 4 223 3 58.859 . 171.356376597000 . . . . . . . . . . . 27700 4 224 1 9.241 . 21.005023832200 . . . . . . . . . . . 27700 4 224 2 128.485 . 24.319366524500 . . . . . . . . . . . 27700 4 224 3 57.783 . 161.801692235000 . . . . . . . . . . . 27700 4 225 1 9.253 . 57.008508677900 . . . . . . . . . . . 27700 4 225 2 128.482 . 31.502655928400 . . . . . . . . . . . 27700 4 225 3 30.183 . 147.384943372000 . . . . . . . . . . . 27700 4 226 1 8.364 . 23.004943377400 . . . . . . . . . . . 27700 4 226 2 110.324 . 39.743488748100 . . . . . . . . . . . 27700 4 226 3 32.973 . 150.535616986000 . . . . . . . . . . . 27700 4 227 1 8.186 . 21.467027871000 . . . . . . . . . . . 27700 4 227 2 122.341 . 74.859353450600 . . . . . . . . . . . 27700 4 227 3 52.088 . 154.708938854000 . . . . . . . . . . . 27700 4 228 1 8.186 . 19.476293973200 . . . . . . . . . . . 27700 4 228 2 122.341 . 78.080018636900 . . . . . . . . . . . 27700 4 228 3 19.181 . 147.322149181000 . . . . . . . . . . . 27700 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 . . 8.411 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 4 1 2 1 . . 120.007 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 4 1 3 2 . . 56.745 . . 1 . 1 1 113 SER CA . . . . . . . . . . 256 . 27700 4 2 1 1 . . 8.413 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 4 2 2 1 . . 119.995 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 4 2 3 2 . . 65.151 . . 1 . 1 1 113 SER CB . . . . . . . . . . 257 . 27700 4 3 1 1 . . 7.719 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 4 3 2 1 . . 119.938 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 4 3 3 2 . . 67.054 . . 1 . 1 1 101 THR CA . . . . . . . . . . 302 . 27700 4 4 1 1 . . 7.724 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 4 4 2 1 . . 119.956 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 4 4 3 2 . . 68.171 . . 1 . 1 1 101 THR CB . . . . . . . . . . 303 . 27700 4 5 1 1 . . 7.565 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 4 5 2 1 . . 118.896 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 4 5 3 2 . . 68.579 . . 1 . 1 1 52 VAL CA . . . . . . . . . . 341 . 27700 4 6 1 1 . . 7.562 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 4 6 2 1 . . 118.916 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 4 6 3 2 . . 31.419 . . 1 . 1 1 52 VAL CB . . . . . . . . . . 532 . 27700 4 7 1 1 . . 7.470 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 4 7 2 1 . . 117.828 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 4 7 3 2 . . 66.343 . . 1 . 1 1 93 ILE CA . . . . . . . . . . 545 . 27700 4 8 1 1 . . 7.469 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 4 8 2 1 . . 117.831 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 4 8 3 2 . . 37.793 . . 1 . 1 1 93 ILE CB . . . . . . . . . . 461 . 27700 4 9 1 1 . . 8.426 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 4 9 2 1 . . 124.070 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 4 9 3 2 . . 58.537 . . 1 . 1 1 39 SER CA . . . . . . . . . . 319 . 27700 4 10 1 1 . . 8.426 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 4 10 2 1 . . 124.070 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 4 10 3 2 . . 63.759 . . 1 . 1 1 39 SER CB . . . . . . . . . . 320 . 27700 4 11 1 1 . . 8.415 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 4 11 2 1 . . 126.795 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 4 11 3 3 . . 58.383 . . 1 . 1 1 27 SER CA . . . . . . . . . . 233 . 27700 4 12 1 1 . . 8.415 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 4 12 2 1 . . 126.795 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 4 12 3 1 . . 63.778 . . 1 . 1 1 27 SER CB . . . . . . . . . . 510 . 27700 4 13 1 1 . . 7.363 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 4 13 2 1 . . 120.662 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 4 13 3 1 . . 56.934 . . 1 . 1 1 76 LYS CA . . . . . . . . . . 236 . 27700 4 14 1 1 . . 7.363 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 4 14 2 1 . . 120.676 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 4 14 3 2 . . 33.326 . . 1 . 1 1 76 LYS CB . . . . . . . . . . 540 . 27700 4 15 1 1 . . 9.099 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 4 15 2 1 . . 119.851 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 4 15 3 2 . . 51.920 . . 1 . 1 1 102 LEU CA . . . . . . . . . . 221 . 27700 4 16 1 1 . . 9.101 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 4 16 2 1 . . 119.837 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 4 16 3 2 . . 45.573 . . 1 . 1 1 102 LEU CB . . . . . . . . . . 222 . 27700 4 17 1 1 . . 9.149 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 4 17 2 1 . . 126.019 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 4 17 3 1 . . 41.106 . . 1 . 1 1 81 ASP CB . . . . . . . . . . 243 . 27700 4 18 1 1 . . 9.151 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 4 18 2 1 . . 126.000 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 4 18 3 1 . . 53.275 . . 1 . 1 1 81 ASP CA . . . . . . . . . . 339 . 27700 4 19 1 1 . . 7.234 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 4 19 2 1 . . 117.732 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 4 19 3 1 . . 68.676 . . 1 . 1 1 72 THR CB . . . . . . . . . . 247 . 27700 4 20 1 1 . . 7.235 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 4 20 2 1 . . 117.752 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 4 20 3 1 . . 67.142 . . 1 . 1 1 72 THR CA . . . . . . . . . . 278 . 27700 4 21 1 1 . . 8.509 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 21 2 1 . . 126.691 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 21 3 1 . . 61.628 . . 1 . 1 1 13 THR CA . . . . . . . . . . 250 . 27700 4 22 1 1 . . 8.509 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 22 2 1 . . 126.691 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 22 3 1 . . 70.076 . . 1 . 1 1 13 THR CB . . . . . . . . . . 251 . 27700 4 23 1 1 . . 8.508 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 23 2 1 . . 126.703 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 24 1 1 . . 8.508 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 4 24 2 1 . . 126.703 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 4 25 1 1 . . 7.748 . . 1 . 1 1 113 SER H . . . . . . . . . . 23 . 27700 4 25 2 1 . . 114.493 . . 1 . 1 1 113 SER N . . . . . . . . . . 24 . 27700 4 25 3 1 . . 44.831 . . 1 . 1 1 112 GLY CA . . . . . . . . . . 255 . 27700 4 26 1 1 . . 8.201 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 26 2 1 . . 119.567 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 26 3 1 . . 30.406 . . 1 . 1 1 57 ARG CB . . . . . . . . . . 466 . 27700 4 27 1 1 . . 8.201 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 27 2 1 . . 119.572 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 27 3 1 . . 59.547 . . 1 . 1 1 57 ARG CA . . . . . . . . . . 465 . 27700 4 28 1 1 . . 8.200 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 28 2 1 . . 119.567 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 29 1 1 . . 8.202 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 4 29 2 1 . . 119.567 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 4 30 1 1 . . 7.807 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 4 30 2 1 . . 113.504 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 4 30 3 2 . . 51.442 . . 1 . 1 1 99 ASN CA . . . . . . . . . . 297 . 27700 4 31 1 1 . . 7.808 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 4 31 2 1 . . 113.504 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 4 31 3 2 . . 37.607 . . 1 . 1 1 99 ASN CB . . . . . . . . . . 296 . 27700 4 32 1 1 . . 8.577 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 4 32 2 1 . . 117.651 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 4 32 3 2 . . 32.030 . . 1 . 1 1 53 VAL CB . . . . . . . . . . 226 . 27700 4 33 1 1 . . 8.577 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 4 33 2 1 . . 117.661 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 4 33 3 2 . . 67.913 . . 1 . 1 1 53 VAL CA . . . . . . . . . . 227 . 27700 4 34 1 1 . . 8.420 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 4 34 2 1 . . 116.565 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 4 34 3 1 . . 32.102 . . 1 . . . . . . . . . . . . . . . . 269 . 27700 4 35 1 1 . . 8.420 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 4 35 2 1 . . 116.564 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 4 35 3 1 . . 63.449 . . 1 . . . . . . . . . . . . . . . . 270 . 27700 4 36 1 1 . . 8.415 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 4 36 2 1 . . 116.582 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 4 37 1 1 . . 8.360 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 4 37 2 1 . . 126.461 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 4 37 3 1 . . 30.505 . . 1 . 1 1 7 GLU CB . . . . . . . . . . 272 . 27700 4 38 1 1 . . 8.360 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 4 38 2 1 . . 126.461 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 4 38 3 1 . . 56.237 . . 1 . 1 1 7 GLU CA . . . . . . . . . . 273 . 27700 4 39 1 1 . . 7.933 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 4 39 2 1 . . 114.422 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 4 39 3 1 . . 60.691 . . 1 . 1 1 71 TYR CA . . . . . . . . . . 277 . 27700 4 40 1 1 . . 7.933 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 4 40 2 1 . . 114.409 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 4 40 3 1 . . 38.043 . . 1 . 1 1 71 TYR CB . . . . . . . . . . 431 . 27700 4 41 1 1 . . 8.646 . . 1 . 1 1 61 GLU H . . . . . . . . . . 37 . 27700 4 41 2 1 . . 119.123 . . 1 . 1 1 61 GLU N . . . . . . . . . . 38 . 27700 4 41 3 1 . . 47.595 . . 1 . 1 1 60 GLY CA . . . . . . . . . . 280 . 27700 4 42 1 1 . . 8.301 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 4 42 2 1 . . 123.967 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 4 42 3 1 . . 19.200 . . 1 . 1 1 8 ALA CB . . . . . . . . . . 284 . 27700 4 43 1 1 . . 8.301 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 4 43 2 1 . . 123.967 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 4 43 3 1 . . 52.056 . . 1 . 1 1 8 ALA CA . . . . . . . . . . 275 . 27700 4 44 1 1 . . 8.300 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 4 44 2 1 . . 123.983 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 4 45 1 1 . . 8.803 . . 1 . 1 1 110 ALA H . . . . . . . . . . 41 . 27700 4 45 2 1 . . 126.117 . . 1 . 1 1 110 ALA N . . . . . . . . . . 42 . 27700 4 45 3 1 . . 45.690 . . 1 . 1 1 109 GLY CA . . . . . . . . . . 500 . 27700 4 46 1 1 . . 7.683 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 46 2 1 . . 114.337 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 46 3 1 . . 53.256 . . 1 . . . . . . . . . . . . . . . . 295 . 27700 4 47 1 1 . . 7.683 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 47 2 1 . . 114.204 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 47 3 1 . . 38.809 . . 1 . . . . . . . . . . . . . . . . 294 . 27700 4 48 1 1 . . 7.682 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 48 2 1 . . 114.239 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 49 1 1 . . 7.679 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 49 2 1 . . 114.239 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 50 1 1 . . 8.250 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 4 50 2 1 . . 119.122 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 4 50 3 2 . . 32.142 . . 1 . 1 1 90 LYS CB . . . . . . . . . . 489 . 27700 4 51 1 1 . . 8.248 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 4 51 2 1 . . 119.115 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 4 51 3 2 . . 60.839 . . 1 . 1 1 90 LYS CA . . . . . . . . . . 488 . 27700 4 52 1 1 . . 8.248 . . 1 . 1 1 91 TYR H . . . . . . . . . . 45 . 27700 4 52 2 1 . . 119.133 . . 1 . 1 1 91 TYR N . . . . . . . . . . 46 . 27700 4 53 1 1 . . 8.331 . . 1 . 1 1 55 THR H . . . . . . . . . . 47 . 27700 4 53 2 1 . . 117.426 . . 1 . 1 1 55 THR N . . . . . . . . . . 48 . 27700 4 53 3 1 . . 58.835 . . 1 . 1 1 54 GLU CA . . . . . . . . . . 265 . 27700 4 54 1 1 . . 8.330 . . 1 . 1 1 55 THR H . . . . . . . . . . 47 . 27700 4 54 2 1 . . 117.420 . . 1 . 1 1 55 THR N . . . . . . . . . . 48 . 27700 4 54 3 1 . . 29.392 . . 1 . 1 1 54 GLU CB . . . . . . . . . . 266 . 27700 4 55 1 1 . . 8.806 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 4 55 2 1 . . 119.045 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 4 55 3 2 . . 39.840 . . 1 . 1 1 100 ASP CB . . . . . . . . . . 263 . 27700 4 56 1 1 . . 8.805 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 4 56 2 1 . . 119.050 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 4 56 3 2 . . 56.310 . . 1 . 1 1 100 ASP CA . . . . . . . . . . 262 . 27700 4 57 1 1 . . 7.687 . . 1 . . . . . . . . . . . . . . . . 51 . 27700 4 57 2 1 . . 113.392 . . 1 . . . . . . . . . . . . . . . . 52 . 27700 4 57 3 1 . . 38.705 . . 1 . . . . . . . . . . . . . . . . 306 . 27700 4 58 1 1 . . 7.687 . . 1 . . . . . . . . . . . . . . . . 51 . 27700 4 58 2 1 . . 113.394 . . 1 . . . . . . . . . . . . . . . . 52 . 27700 4 58 3 1 . . 53.127 . . 1 . . . . . . . . . . . . . . . . 305 . 27700 4 59 1 1 . . 8.309 . . 1 . 1 1 26 GLY H . . . . . . . . . . 53 . 27700 4 59 2 1 . . 109.371 . . 1 . 1 1 26 GLY N . . . . . . . . . . 54 . 27700 4 59 3 1 . . 45.208 . . 1 . 1 1 25 GLY CA . . . . . . . . . . 308 . 27700 4 60 1 1 . . 7.423 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 4 60 2 1 . . 117.234 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 4 60 3 2 . . 29.151 . . 1 . 1 1 86 ARG CB . . . . . . . . . . 421 . 27700 4 61 1 1 . . 7.424 . . 1 . 1 1 87 THR H . . . . . . . . . . 55 . 27700 4 61 2 1 . . 117.232 . . 1 . 1 1 87 THR N . . . . . . . . . . 56 . 27700 4 61 3 2 . . 61.012 . . 1 . 1 1 86 ARG CA . . . . . . . . . . 420 . 27700 4 62 1 1 . . 8.485 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 62 2 1 . . 126.809 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 62 3 2 . . 33.091 . . 1 . 1 1 23 LYS CB . . . . . . . . . . 316 . 27700 4 63 1 1 . . 8.485 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 63 2 1 . . 126.810 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 63 3 2 . . 56.247 . . 1 . 1 1 23 LYS CA . . . . . . . . . . 315 . 27700 4 64 1 1 . . 8.482 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 64 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 65 1 1 . . 8.486 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 4 65 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 4 66 1 1 . . 8.465 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 4 66 2 1 . . 125.474 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 4 66 3 1 . . 61.837 . . 1 . 1 1 22 THR CA . . . . . . . . . . 398 . 27700 4 67 1 1 . . 8.465 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 4 67 2 1 . . 125.473 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 4 67 3 1 . . 69.861 . . 1 . 1 1 22 THR CB . . . . . . . . . . 317 . 27700 4 68 1 1 . . 8.405 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 4 68 2 1 . . 117.732 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 4 68 3 1 . . 53.149 . . 1 . 1 1 38 ASN CA . . . . . . . . . . 453 . 27700 4 69 1 1 . . 8.405 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 4 69 2 1 . . 117.730 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 4 69 3 1 . . 38.819 . . 1 . 1 1 38 ASN CB . . . . . . . . . . 452 . 27700 4 70 1 1 . . 8.092 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 4 70 2 1 . . 123.815 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 4 70 3 1 . . 52.323 . . 1 . . . . . . . . . . . . . . . . 321 . 27700 4 71 1 1 . . 8.092 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 4 71 2 1 . . 123.822 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 4 71 3 1 . . 38.463 . . 1 . . . . . . . . . . . . . . . . 322 . 27700 4 72 1 1 . . 8.604 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 4 72 2 1 . . 125.270 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 4 72 3 1 . . 32.689 . . 1 . 1 1 3 VAL CB . . . . . . . . . . 325 . 27700 4 73 1 1 . . 8.604 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 4 73 2 1 . . 125.270 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 4 73 3 1 . . 62.525 . . 1 . 1 1 3 VAL CA . . . . . . . . . . 326 . 27700 4 74 1 1 . . 7.178 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 4 74 2 1 . . 125.077 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 4 74 3 1 . . 29.021 . . 1 . 1 1 79 TRP CB . . . . . . . . . . 332 . 27700 4 75 1 1 . . 7.179 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 4 75 2 1 . . 125.075 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 4 75 3 1 . . 53.515 . . 1 . 1 1 79 TRP CA . . . . . . . . . . 333 . 27700 4 76 1 1 . . 8.150 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 4 76 2 1 . . 118.909 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 4 76 3 1 . . 59.095 . . 1 . 1 1 58 ARG CA . . . . . . . . . . 260 . 27700 4 77 1 1 . . 8.150 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 4 77 2 1 . . 118.913 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 4 77 3 2 . . 30.196 . . 1 . 1 1 58 ARG CB . . . . . . . . . . 259 . 27700 4 78 1 1 . . 7.087 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 4 78 2 1 . . 127.524 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 4 78 3 1 . . 40.070 . . 1 . 1 1 80 PHE CB . . . . . . . . . . 334 . 27700 4 79 1 1 . . 7.091 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 4 79 2 1 . . 127.532 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 4 79 3 1 . . 60.410 . . 1 . 1 1 80 PHE CA . . . . . . . . . . 338 . 27700 4 80 1 1 . . 8.362 . . 1 . 1 1 52 VAL H . . . . . . . . . . 75 . 27700 4 80 2 1 . . 123.673 . . 1 . 1 1 52 VAL N . . . . . . . . . . 76 . 27700 4 80 3 2 . . 57.610 . . 1 . 1 1 51 LEU CA . . . . . . . . . . 411 . 27700 4 81 1 1 . . 8.362 . . 1 . 1 1 52 VAL H . . . . . . . . . . 75 . 27700 4 81 2 1 . . 123.706 . . 1 . 1 1 52 VAL N . . . . . . . . . . 76 . 27700 4 81 3 2 . . 41.929 . . 1 . 1 1 51 LEU CB . . . . . . . . . . 410 . 27700 4 82 1 1 . . 8.282 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 4 82 2 1 . . 123.678 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 4 82 3 1 . . 32.940 . . 1 . 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 4 83 1 1 . . 8.281 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 4 83 2 1 . . 123.679 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 4 83 3 1 . . 56.307 . . 1 . 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 4 84 1 1 . . 8.285 . . 1 . 1 1 92 SER H . . . . . . . . . . 81 . 27700 4 84 2 1 . . 118.536 . . 1 . 1 1 92 SER N . . . . . . . . . . 82 . 27700 4 84 3 2 . . 37.385 . . 1 . 1 1 91 TYR CB . . . . . . . . . . 299 . 27700 4 85 1 1 . . 8.286 . . 1 . 1 1 92 SER H . . . . . . . . . . 81 . 27700 4 85 2 1 . . 118.560 . . 1 . 1 1 92 SER N . . . . . . . . . . 82 . 27700 4 85 3 2 . . 60.447 . . 1 . 1 1 91 TYR CA . . . . . . . . . . 300 . 27700 4 86 1 1 . . 8.429 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 4 86 2 1 . . 123.785 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 4 86 3 1 . . 32.945 . . 1 . 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 4 87 1 1 . . 8.429 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 4 87 2 1 . . 123.784 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 4 87 3 1 . . 56.470 . . 1 . 1 1 34 LYS CA . . . . . . . . . . 370 . 27700 4 88 1 1 . . 8.041 . . 1 . 1 1 108 THR H . . . . . . . . . . 85 . 27700 4 88 2 1 . . 111.906 . . 1 . 1 1 108 THR N . . . . . . . . . . 86 . 27700 4 88 3 1 . . 44.919 . . 1 . 1 1 107 GLY CA . . . . . . . . . . 349 . 27700 4 89 1 1 . . 8.620 . . 1 . 1 1 65 SER H . . . . . . . . . . 89 . 27700 4 89 2 1 . . 113.486 . . 1 . 1 1 65 SER N . . . . . . . . . . 90 . 27700 4 89 3 1 . . 44.799 . . 1 . 1 1 64 GLY CA . . . . . . . . . . 485 . 27700 4 90 1 1 . . 8.569 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 4 90 2 1 . . 127.673 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 4 90 3 2 . . 54.963 . . 1 . 1 1 104 GLN CA . . . . . . . . . . 367 . 27700 4 91 1 1 . . 8.571 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 4 91 2 1 . . 127.675 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 4 91 3 2 . . 29.341 . . 1 . 1 1 104 GLN CB . . . . . . . . . . 368 . 27700 4 92 1 1 . . 8.228 . . 1 . 1 1 49 SER H . . . . . . . . . . 93 . 27700 4 92 2 1 . . 118.374 . . 1 . 1 1 49 SER N . . . . . . . . . . 94 . 27700 4 92 3 1 . . 37.877 . . 1 . . . . . . . . . . . . . . . . 358 . 27700 4 93 1 1 . . 8.228 . . 1 . 1 1 49 SER H . . . . . . . . . . 93 . 27700 4 93 2 1 . . 118.388 . . 1 . 1 1 49 SER N . . . . . . . . . . 94 . 27700 4 93 3 1 . . 63.833 . . 1 . . . . . . . . . . . . . . . . 357 . 27700 4 94 1 1 . . 7.305 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 4 94 2 1 . . 111.404 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 4 94 3 1 . . 54.800 . . 1 . 1 1 74 ALA CA . . . . . . . . . . 450 . 27700 4 95 1 1 . . 7.304 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 4 95 2 1 . . 111.405 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 4 95 3 1 . . 18.699 . . 1 . 1 1 74 ALA CB . . . . . . . . . . 361 . 27700 4 96 1 1 . . 8.212 . . 1 . 1 1 112 GLY H . . . . . . . . . . 97 . 27700 4 96 2 1 . . 108.079 . . 1 . 1 1 112 GLY N . . . . . . . . . . 98 . 27700 4 96 3 1 . . 39.463 . . 1 . 1 1 111 ASN CB . . . . . . . . . . 408 . 27700 4 97 1 1 . . 8.212 . . 1 . 1 1 112 GLY H . . . . . . . . . . 97 . 27700 4 97 2 1 . . 108.078 . . 1 . 1 1 112 GLY N . . . . . . . . . . 98 . 27700 4 97 3 1 . . 52.836 . . 1 . 1 1 111 ASN CA . . . . . . . . . . 409 . 27700 4 98 1 1 . . 8.522 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 4 98 2 1 . . 124.062 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 4 98 3 1 . . 56.128 . . 1 . 1 1 36 ARG CA . . . . . . . . . . 530 . 27700 4 99 1 1 . . 8.522 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 4 99 2 1 . . 124.060 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 4 99 3 1 . . 30.836 . . 1 . 1 1 36 ARG CB . . . . . . . . . . 346 . 27700 4 100 1 1 . . 8.524 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 4 100 2 1 . . 124.075 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 4 101 1 1 . . 8.986 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 4 101 2 1 . . 125.006 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 4 101 3 2 . . 53.366 . . 1 . 1 1 103 LEU CA . . . . . . . . . . 241 . 27700 4 102 1 1 . . 8.985 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 4 102 2 1 . . 125.002 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 4 102 3 2 . . 44.576 . . 1 . 1 1 103 LEU CB . . . . . . . . . . 240 . 27700 4 103 1 1 . . 8.442 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 4 103 2 1 . . 123.473 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 4 103 3 1 . . 32.944 . . 1 . 1 1 41 LYS CB . . . . . . . . . . 560 . 27700 4 104 1 1 . . 8.442 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 4 104 2 1 . . 123.474 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 4 104 3 1 . . 56.352 . . 1 . 1 1 41 LYS CA . . . . . . . . . . 561 . 27700 4 105 1 1 . . 8.306 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 4 105 2 1 . . 123.282 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 4 105 3 1 . . 32.958 . . 1 . 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 4 106 1 1 . . 8.327 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 4 106 2 1 . . 123.493 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 4 106 3 3 . . 32.857 . . 1 . 1 1 40 LYS CB . . . . . . . . . . 562 . 27700 4 107 1 1 . . 8.326 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 4 107 2 1 . . 123.443 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 4 107 3 3 . . 56.407 . . 1 . 1 1 40 LYS CA . . . . . . . . . . 563 . 27700 4 108 1 1 . . 8.188 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 4 108 2 1 . . 121.943 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 4 108 3 1 . . 52.362 . . 1 . . . . . . . . . . . . . . . . 372 . 27700 4 109 1 1 . . 8.188 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 4 109 2 1 . . 121.945 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 4 109 3 1 . . 19.026 . . 1 . . . . . . . . . . . . . . . . 373 . 27700 4 110 1 1 . . 8.074 . . 1 . 1 1 85 GLY H . . . . . . . . . . 109 . 27700 4 110 2 1 . . 109.996 . . 1 . 1 1 85 GLY N . . . . . . . . . . 110 . 27700 4 110 3 1 . . 52.726 . . 1 . 1 1 84 ASN CA . . . . . . . . . . 515 . 27700 4 111 1 1 . . 8.072 . . 1 . 1 1 85 GLY H . . . . . . . . . . 109 . 27700 4 111 2 1 . . 109.996 . . 1 . 1 1 85 GLY N . . . . . . . . . . 110 . 27700 4 111 3 1 . . 41.387 . . 1 . 1 1 84 ASN CB . . . . . . . . . . 376 . 27700 4 112 1 1 . . 9.387 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 4 112 2 1 . . 121.675 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 4 112 3 2 . . 56.759 . . 1 . 1 1 66 SER CA . . . . . . . . . . 480 . 27700 4 113 1 1 . . 9.392 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 4 113 2 1 . . 121.632 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 4 113 3 2 . . 65.512 . . 1 . 1 1 66 SER CB . . . . . . . . . . 479 . 27700 4 114 1 1 . . 8.460 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 4 114 2 1 . . 120.507 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 4 114 3 2 . . 53.220 . . 1 . 1 1 14 ALA CA . . . . . . . . . . 252 . 27700 4 115 1 1 . . 8.460 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 4 115 2 1 . . 120.508 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 4 115 3 2 . . 18.929 . . 1 . 1 1 14 ALA CB . . . . . . . . . . 253 . 27700 4 116 1 1 . . 8.307 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 4 116 2 1 . . 123.279 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 4 116 3 1 . . 56.347 . . 1 . 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 4 117 1 1 . . 8.305 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 4 117 2 1 . . 123.207 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 4 117 3 1 . . 32.975 . . 1 . 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 4 118 1 1 . . 8.301 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 4 118 2 1 . . 123.162 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 4 119 1 1 . . 8.345 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 4 119 2 1 . . 118.840 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 4 119 3 1 . . 32.727 . . 1 . 1 1 11 VAL CB . . . . . . . . . . 394 . 27700 4 120 1 1 . . 8.345 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 4 120 2 1 . . 118.841 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 4 120 3 1 . . 62.309 . . 1 . 1 1 11 VAL CA . . . . . . . . . . 388 . 27700 4 121 1 1 . . 8.346 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 4 121 2 1 . . 118.797 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 4 122 1 1 . . 8.375 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 122 2 1 . . 121.602 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 122 3 1 . . 62.873 . . 1 . 1 1 10 PRO CA . . . . . . . . . . 393 . 27700 4 123 1 1 . . 8.375 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 123 2 1 . . 121.601 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 123 3 1 . . 32.044 . . 1 . 1 1 10 PRO CB . . . . . . . . . . 392 . 27700 4 124 1 1 . . 8.380 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 124 2 1 . . 121.624 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 125 1 1 . . 8.372 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 4 125 2 1 . . 121.624 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 4 126 1 1 . . 8.385 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 4 126 2 1 . . 120.507 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 4 126 3 1 . . 62.224 . . 1 . 1 1 21 VAL CA . . . . . . . . . . 384 . 27700 4 127 1 1 . . 8.385 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 4 127 2 1 . . 120.506 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 4 127 3 1 . . 32.854 . . 1 . 1 1 21 VAL CB . . . . . . . . . . 397 . 27700 4 128 1 1 . . 8.189 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 4 128 2 1 . . 123.620 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 4 128 3 1 . . 19.049 . . 1 . 1 1 28 ALA CB . . . . . . . . . . 232 . 27700 4 129 1 1 . . 8.189 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 4 129 2 1 . . 123.619 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 4 129 3 1 . . 52.553 . . 1 . 1 1 28 ALA CA . . . . . . . . . . 399 . 27700 4 130 1 1 . . 8.425 . . 1 . 1 1 7 GLU H . . . . . . . . . . 125 . 27700 4 130 2 1 . . 123.107 . . 1 . 1 1 7 GLU N . . . . . . . . . . 126 . 27700 4 130 3 1 . . 30.361 . . 1 . 1 1 6 GLU CB . . . . . . . . . . 401 . 27700 4 131 1 1 . . 8.425 . . 1 . 1 1 7 GLU H . . . . . . . . . . 125 . 27700 4 131 2 1 . . 123.106 . . 1 . 1 1 7 GLU N . . . . . . . . . . 126 . 27700 4 131 3 1 . . 56.468 . . 1 . 1 1 6 GLU CA . . . . . . . . . . 414 . 27700 4 132 1 1 . . 8.503 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 4 132 2 1 . . 120.484 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 4 132 3 1 . . 56.275 . . 1 . 1 1 42 LYS CA . . . . . . . . . . 558 . 27700 4 133 1 1 . . 8.504 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 4 133 2 1 . . 120.486 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 4 133 3 1 . . 33.109 . . 1 . 1 1 42 LYS CB . . . . . . . . . . 557 . 27700 4 134 1 1 . . 8.458 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 4 134 2 1 . . 123.077 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 4 134 3 2 . . 42.593 . . 1 . 1 1 96 LEU CB . . . . . . . . . . 467 . 27700 4 135 1 1 . . 8.469 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 4 135 2 1 . . 123.077 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 4 135 3 2 . . 56.073 . . 1 . 1 1 96 LEU CA . . . . . . . . . . 468 . 27700 4 136 1 1 . . 8.279 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 4 136 2 1 . . 118.857 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 4 136 3 2 . . 27.366 . . 1 . 1 1 82 GLN CB . . . . . . . . . . 245 . 27700 4 137 1 1 . . 8.279 . . 1 . 1 1 83 GLN H . . . . . . . . . . 133 . 27700 4 137 2 1 . . 118.850 . . 1 . 1 1 83 GLN N . . . . . . . . . . 134 . 27700 4 137 3 2 . . 58.023 . . 1 . 1 1 82 GLN CA . . . . . . . . . . 244 . 27700 4 138 1 1 . . 8.122 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 4 138 2 1 . . 116.326 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 4 138 3 2 . . 53.093 . . 1 . 1 1 110 ALA CA . . . . . . . . . . 289 . 27700 4 139 1 1 . . 8.121 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 4 139 2 1 . . 116.326 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 4 139 3 2 . . 19.047 . . 1 . 1 1 110 ALA CB . . . . . . . . . . 288 . 27700 4 140 1 1 . . 7.741 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 4 140 2 1 . . 120.418 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 4 140 3 1 . . 28.066 . . 1 . 1 1 50 GLN CB . . . . . . . . . . 438 . 27700 4 141 1 1 . . 7.740 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 4 141 2 1 . . 120.406 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 4 141 3 1 . . 58.745 . . 1 . 1 1 50 GLN CA . . . . . . . . . . 437 . 27700 4 142 1 1 . . 8.408 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 142 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 142 3 1 . . 42.429 . . 1 . 1 1 5 LEU CB . . . . . . . . . . 424 . 27700 4 143 1 1 . . 8.408 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 143 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 143 3 1 . . 55.088 . . 1 . 1 1 5 LEU CA . . . . . . . . . . 413 . 27700 4 144 1 1 . . 8.411 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 144 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 145 1 1 . . 8.404 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 4 145 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 4 146 1 1 . . 8.812 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 4 146 2 1 . . 121.400 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 4 146 3 2 . . 34.857 . . 1 . 1 1 88 TYR CB . . . . . . . . . . 428 . 27700 4 147 1 1 . . 8.810 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 4 147 2 1 . . 121.350 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 4 147 3 2 . . 57.828 . . 1 . 1 1 88 TYR CA . . . . . . . . . . 427 . 27700 4 148 1 1 . . 7.487 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 4 148 2 1 . . 105.016 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 4 148 3 1 . . 42.227 . . 1 . 1 1 59 LEU CB . . . . . . . . . . 336 . 27700 4 149 1 1 . . 7.487 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 4 149 2 1 . . 105.015 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 4 149 3 1 . . 57.203 . . 1 . 1 1 59 LEU CA . . . . . . . . . . 337 . 27700 4 150 1 1 . . 8.075 . . 1 . 1 1 17 MET H . . . . . . . . . . 145 . 27700 4 150 2 1 . . 120.383 . . 1 . 1 1 17 MET N . . . . . . . . . . 146 . 27700 4 150 3 1 . . 45.564 . . 1 . 1 1 16 GLY CA . . . . . . . . . . 517 . 27700 4 151 1 1 . . 8.973 . . 1 . 1 1 86 ARG H . . . . . . . . . . 147 . 27700 4 151 2 1 . . 122.468 . . 1 . 1 1 86 ARG N . . . . . . . . . . 148 . 27700 4 151 3 2 . . 48.148 . . 1 . 1 1 85 GLY CA . . . . . . . . . . 377 . 27700 4 152 1 1 . . 8.329 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 4 152 2 1 . . 124.014 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 4 152 3 1 . . 30.062 . . 1 . 1 1 4 GLU CB . . . . . . . . . . 329 . 27700 4 153 1 1 . . 8.329 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 4 153 2 1 . . 124.013 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 4 153 3 1 . . 56.505 . . 1 . 1 1 4 GLU CA . . . . . . . . . . 423 . 27700 4 154 1 1 . . 7.430 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 4 154 2 1 . . 121.331 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 4 154 3 2 . . 67.846 . . 1 . 1 1 87 THR CB . . . . . . . . . . 310 . 27700 4 155 1 1 . . 7.432 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 4 155 2 1 . . 121.338 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 4 155 3 2 . . 66.588 . . 1 . 1 1 87 THR CA . . . . . . . . . . 309 . 27700 4 156 1 1 . . 8.385 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 4 156 2 1 . . 124.461 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 4 156 3 1 . . 63.551 . . 1 . 1 1 33 SER CB . . . . . . . . . . 429 . 27700 4 157 1 1 . . 8.385 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 4 157 2 1 . . 124.460 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 4 157 3 1 . . 58.587 . . 1 . 1 1 33 SER CA . . . . . . . . . . 271 . 27700 4 158 1 1 . . 8.385 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 4 158 2 1 . . 124.361 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 4 159 1 1 . . 9.312 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 4 159 2 1 . . 120.233 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 4 159 3 1 . . 38.886 . . 1 . 1 1 70 ILE CB . . . . . . . . . . 444 . 27700 4 160 1 1 . . 9.313 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 4 160 2 1 . . 120.224 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 4 160 3 1 . . 65.399 . . 1 . 1 1 70 ILE CA . . . . . . . . . . 430 . 27700 4 161 1 1 . . 8.438 . . 1 . 1 1 46 GLY H . . . . . . . . . . 157 . 27700 4 161 2 1 . . 109.822 . . 1 . 1 1 46 GLY N . . . . . . . . . . 158 . 27700 4 161 3 1 . . 63.826 . . 1 . . . . . . . . . . . . . . . . 433 . 27700 4 162 1 1 . . 8.432 . . 1 . 1 1 46 GLY H . . . . . . . . . . 157 . 27700 4 162 2 1 . . 109.785 . . 1 . 1 1 46 GLY N . . . . . . . . . . 158 . 27700 4 162 3 1 . . 32.034 . . 1 . . . . . . . . . . . . . . . . 434 . 27700 4 163 1 1 . . 7.897 . . 1 . 1 1 50 GLN H . . . . . . . . . . 159 . 27700 4 163 2 1 . . 121.146 . . 1 . 1 1 50 GLN N . . . . . . . . . . 160 . 27700 4 163 3 1 . . 62.423 . . 1 . 1 1 49 SER CA . . . . . . . . . . 359 . 27700 4 164 1 1 . . 8.194 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 4 164 2 1 . . 125.079 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 4 164 3 1 . . 32.670 . . 1 . 1 1 17 MET CB . . . . . . . . . . 440 . 27700 4 165 1 1 . . 8.194 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 4 165 2 1 . . 125.079 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 4 165 3 1 . . 55.651 . . 1 . 1 1 17 MET CA . . . . . . . . . . 418 . 27700 4 166 1 1 . . 8.192 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 4 166 2 1 . . 125.162 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 4 166 3 1 . . 52.432 . . 1 . . . . . . . . . . . . . . . . 441 . 27700 4 167 1 1 . . 8.534 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 4 167 2 1 . . 120.260 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 4 167 3 1 . . 58.667 . . 1 . 1 1 69 LYS CA . . . . . . . . . . 443 . 27700 4 168 1 1 . . 8.533 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 4 168 2 1 . . 120.316 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 4 168 3 1 . . 32.644 . . 1 . 1 1 69 LYS CB . . . . . . . . . . 496 . 27700 4 169 1 1 . . 8.529 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 4 169 2 1 . . 120.269 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 4 170 1 1 . . 9.083 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 4 170 2 1 . . 122.294 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 4 170 3 2 . . 53.417 . . 1 . 1 1 115 LYS CA . . . . . . . . . . 476 . 27700 4 171 1 1 . . 9.083 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 4 171 2 1 . . 122.295 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 4 171 3 2 . . 37.408 . . 1 . 1 1 115 LYS CB . . . . . . . . . . 477 . 27700 4 172 1 1 . . 9.036 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 4 172 2 1 . . 125.170 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 4 172 3 1 . . 57.284 . . 1 . 1 1 73 GLU CA . . . . . . . . . . 248 . 27700 4 173 1 1 . . 9.036 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 4 173 2 1 . . 125.173 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 4 173 3 1 . . 30.020 . . 1 . 1 1 73 GLU CB . . . . . . . . . . 449 . 27700 4 174 1 1 . . 8.625 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 4 174 2 1 . . 121.087 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 4 174 3 1 . . 33.026 . . 1 . 1 1 37 LYS CB . . . . . . . . . . 344 . 27700 4 175 1 1 . . 8.625 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 4 175 2 1 . . 121.084 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 4 175 3 1 . . 56.579 . . 1 . 1 1 37 LYS CA . . . . . . . . . . 365 . 27700 4 176 1 1 . . 8.077 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 4 176 2 1 . . 128.919 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 4 176 3 1 . . 55.635 . . 1 . 1 1 118 ARG CA . . . . . . . . . . 323 . 27700 4 177 1 1 . . 8.077 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 4 177 2 1 . . 128.919 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 4 177 3 1 . . 31.002 . . 1 . 1 1 118 ARG CB . . . . . . . . . . 324 . 27700 4 178 1 1 . . 8.587 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 4 178 2 1 . . 120.170 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 4 178 3 2 . . 58.918 . . 1 . 1 1 67 LEU CA . . . . . . . . . . 378 . 27700 4 179 1 1 . . 8.587 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 4 179 2 1 . . 120.162 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 4 179 3 2 . . 40.635 . . 1 . 1 1 67 LEU CB . . . . . . . . . . 379 . 27700 4 180 1 1 . . 8.441 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 4 180 2 1 . . 120.979 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 4 180 3 1 . . 38.465 . . 1 . 1 1 56 ILE CB . . . . . . . . . . 463 . 27700 4 181 1 1 . . 8.441 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 4 181 2 1 . . 120.994 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 4 181 3 1 . . 67.061 . . 1 . 1 1 56 ILE CA . . . . . . . . . . 464 . 27700 4 182 1 1 . . 8.325 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 4 182 2 1 . . 120.169 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 4 182 3 2 . . 55.055 . . 1 . 1 1 95 ALA CA . . . . . . . . . . 470 . 27700 4 183 1 1 . . 8.327 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 4 183 2 1 . . 120.173 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 4 183 3 2 . . 18.110 . . 1 . 1 1 95 ALA CB . . . . . . . . . . 471 . 27700 4 184 1 1 . . 7.608 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 4 184 2 1 . . 122.088 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 4 184 3 2 . . 60.030 . . 1 . 1 1 94 LYS CA . . . . . . . . . . 229 . 27700 4 185 1 1 . . 7.609 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 4 185 2 1 . . 122.071 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 4 185 3 2 . . 32.156 . . 1 . 1 1 94 LYS CB . . . . . . . . . . 230 . 27700 4 186 1 1 . . 8.173 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 4 186 2 1 . . 121.028 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 4 186 3 1 . . 18.923 . . 1 . 1 1 18 ALA CB . . . . . . . . . . 442 . 27700 4 187 1 1 . . 8.173 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 4 187 2 1 . . 121.026 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 4 187 3 2 . . 52.766 . . 1 . 1 1 18 ALA CA . . . . . . . . . . 525 . 27700 4 188 1 1 . . 8.211 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 4 188 2 1 . . 116.977 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 4 188 3 1 . . 61.554 . . 1 . 1 1 12 THR CA . . . . . . . . . . 389 . 27700 4 189 1 1 . . 8.211 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 4 189 2 1 . . 116.976 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 4 189 3 1 . . 69.894 . . 1 . 1 1 12 THR CB . . . . . . . . . . 473 . 27700 4 190 1 1 . . 8.834 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 4 190 2 1 . . 119.999 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 4 190 3 2 . . 57.605 . . 1 . 1 1 114 PHE CA . . . . . . . . . . 219 . 27700 4 191 1 1 . . 8.834 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 4 191 2 1 . . 119.993 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 4 191 3 2 . . 42.928 . . 1 . 1 1 114 PHE CB . . . . . . . . . . 220 . 27700 4 192 1 1 . . 8.775 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 4 192 2 1 . . 121.930 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 4 192 3 2 . . 57.236 . . 1 . 1 1 65 SER CA . . . . . . . . . . 351 . 27700 4 193 1 1 . . 8.775 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 4 193 2 1 . . 121.934 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 4 193 3 2 . . 66.743 . . 1 . 1 1 65 SER CB . . . . . . . . . . 352 . 27700 4 194 1 1 . . 7.966 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 4 194 2 1 . . 121.001 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 4 194 3 1 . . 65.242 . . 1 . 1 1 97 VAL CA . . . . . . . . . . 482 . 27700 4 195 1 1 . . 7.967 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 4 195 2 1 . . 121.038 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 4 195 3 1 . . 32.213 . . 1 . 1 1 97 VAL CB . . . . . . . . . . 548 . 27700 4 196 1 1 . . 7.024 . . 1 . 1 1 64 GLY H . . . . . . . . . . 191 . 27700 4 196 2 1 . . 104.609 . . 1 . 1 1 64 GLY N . . . . . . . . . . 192 . 27700 4 196 3 1 . . 38.441 . . 1 . 1 1 63 ASN CB . . . . . . . . . . 505 . 27700 4 197 1 1 . . 7.021 . . 1 . 1 1 64 GLY H . . . . . . . . . . 191 . 27700 4 197 2 1 . . 104.580 . . 1 . 1 1 64 GLY N . . . . . . . . . . 192 . 27700 4 197 3 1 . . 51.775 . . 1 . 1 1 63 ASN CA . . . . . . . . . . 504 . 27700 4 198 1 1 . . 8.033 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 4 198 2 1 . . 120.052 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 4 198 3 1 . . 42.201 . . 1 . 1 1 89 LEU CB . . . . . . . . . . 415 . 27700 4 199 1 1 . . 8.033 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 4 199 2 1 . . 120.037 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 4 199 3 1 . . 58.317 . . 1 . 1 1 89 LEU CA . . . . . . . . . . 416 . 27700 4 200 1 1 . . 8.309 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 4 200 2 1 . . 121.937 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 4 200 3 1 . . 38.685 . . 1 . 1 1 43 ASN CB . . . . . . . . . . 403 . 27700 4 201 1 1 . . 8.309 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 4 201 2 1 . . 121.937 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 4 201 3 1 . . 53.104 . . 1 . 1 1 43 ASN CA . . . . . . . . . . 492 . 27700 4 202 1 1 . . 7.869 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 4 202 2 1 . . 120.632 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 4 202 3 2 . . 55.821 . . 1 . 1 1 68 ALA CA . . . . . . . . . . 458 . 27700 4 203 1 1 . . 7.868 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 4 203 2 1 . . 120.624 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 4 203 3 2 . . 18.218 . . 1 . 1 1 68 ALA CB . . . . . . . . . . 459 . 27700 4 204 1 1 . . 8.482 . . 1 . 1 1 25 GLY H . . . . . . . . . . 199 . 27700 4 204 2 1 . . 109.469 . . 1 . 1 1 25 GLY N . . . . . . . . . . 200 . 27700 4 204 3 2 . . 19.112 . . 1 . 1 1 24 ALA CB . . . . . . . . . . 313 . 27700 4 205 1 1 . . 8.482 . . 1 . 1 1 25 GLY H . . . . . . . . . . 199 . 27700 4 205 2 1 . . 109.469 . . 1 . 1 1 25 GLY N . . . . . . . . . . 200 . 27700 4 205 3 2 . . 52.634 . . 1 . 1 1 24 ALA CA . . . . . . . . . . 312 . 27700 4 206 1 1 . . 8.677 . . 1 . 1 1 109 GLY H . . . . . . . . . . 209 . 27700 4 206 2 1 . . 112.665 . . 1 . 1 1 109 GLY N . . . . . . . . . . 210 . 27700 4 206 3 1 . . 70.121 . . 1 . 1 1 108 THR CB . . . . . . . . . . 350 . 27700 4 207 1 1 . . 8.677 . . 1 . 1 1 109 GLY H . . . . . . . . . . 209 . 27700 4 207 2 1 . . 112.663 . . 1 . 1 1 109 GLY N . . . . . . . . . . 210 . 27700 4 207 3 1 . . 61.298 . . 1 . 1 1 108 THR CA . . . . . . . . . . 499 . 27700 4 208 1 1 . . 8.698 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 4 208 2 1 . . 115.000 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 4 208 3 1 . . 59.545 . . 1 . 1 1 62 ARG CA . . . . . . . . . . 503 . 27700 4 209 1 1 . . 8.698 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 4 209 2 1 . . 114.989 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 4 209 3 1 . . 30.092 . . 1 . 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 4 210 1 1 . . 8.038 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 4 210 2 1 . . 117.069 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 4 210 3 1 . . 42.415 . . 1 . 1 1 30 LEU CB . . . . . . . . . . 374 . 27700 4 211 1 1 . . 8.038 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 4 211 2 1 . . 117.066 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 4 211 3 1 . . 55.012 . . 1 . 1 1 30 LEU CA . . . . . . . . . . 512 . 27700 4 212 1 1 . . 8.362 . . 1 . 1 1 27 SER H . . . . . . . . . . 213 . 27700 4 212 2 1 . . 116.442 . . 1 . 1 1 27 SER N . . . . . . . . . . 214 . 27700 4 212 3 2 . . 45.142 . . 1 . 1 1 26 GLY CA . . . . . . . . . . 526 . 27700 4 213 1 1 . . 8.001 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 4 213 2 1 . . 115.666 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 4 213 3 1 . . 29.394 . . 1 . 1 1 83 GLN CB . . . . . . . . . . 514 . 27700 4 214 1 1 . . 7.999 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 4 214 2 1 . . 115.669 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 4 214 3 1 . . 58.239 . . 1 . 1 1 83 GLN CA . . . . . . . . . . 406 . 27700 4 215 1 1 . . 8.379 . . 1 . 1 1 16 GLY H . . . . . . . . . . 217 . 27700 4 215 2 1 . . 110.146 . . 1 . 1 1 16 GLY N . . . . . . . . . . 218 . 27700 4 215 3 1 . . 29.909 . . 1 . 1 1 15 GLU CB . . . . . . . . . . 381 . 27700 4 216 1 1 . . 8.379 . . 1 . 1 1 16 GLY H . . . . . . . . . . 217 . 27700 4 216 2 1 . . 110.144 . . 1 . 1 1 16 GLY N . . . . . . . . . . 218 . 27700 4 216 3 1 . . 57.421 . . 1 . 1 1 15 GLU CA . . . . . . . . . . 382 . 27700 4 217 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 4 217 2 1 . . 118.943 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 4 217 3 1 . . 54.744 . . 1 . . . . . . . . . . . . . . . . 520 . 27700 4 218 1 1 . . 8.345 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 4 218 2 1 . . 118.948 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 4 218 3 1 . . 42.395 . . 1 . . . . . . . . . . . . . . . . 521 . 27700 4 220 1 1 . . 6.736 . . 1 . 1 1 76 LYS H . . . . . . . . . . 205 . 27700 4 220 2 1 . . 117.579 . . 1 . 1 1 76 LYS N . . . . . . . . . . 206 . 27700 4 220 3 1 . . 56.700 . . 1 . 1 1 75 LYS CA . . . . . . . . . . 363 . 27700 4 221 1 1 . . 6.739 . . 1 . 1 1 76 LYS H . . . . . . . . . . 205 . 27700 4 221 2 1 . . 117.562 . . 1 . 1 1 76 LYS N . . . . . . . . . . 206 . 27700 4 221 3 1 . . 30.789 . . 1 . 1 1 75 LYS CB . . . . . . . . . . 362 . 27700 4 222 1 1 . . 7.675 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 222 2 1 . . 114.259 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 222 3 1 . . 28.255 . . 1 . 1 1 98 GLN CB . . . . . . . . . . 483 . 27700 4 223 1 1 . . 7.678 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 4 223 2 1 . . 114.259 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 4 223 3 1 . . 58.859 . . 1 . 1 1 98 GLN CA . . . . . . . . . . 484 . 27700 4 224 1 1 . . 9.241 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 4 224 2 1 . . 128.485 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 4 224 3 2 . . 57.783 . . 1 . 1 1 61 GLU CA . . . . . . . . . . 281 . 27700 4 225 1 1 . . 9.253 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 4 225 2 1 . . 128.482 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 4 225 3 1 . . 30.183 . . 1 . 1 1 62 ARG CB . . . . . . . . . . 282 . 27700 4 226 1 1 . . 8.364 . . 1 . 1 1 107 GLY H . . . . . . . . . . 552 . 27700 4 226 2 1 . . 110.324 . . 1 . 1 1 107 GLY N . . . . . . . . . . 553 . 27700 4 226 3 1 . . 32.973 . . 1 . 1 1 106 LYS CB . . . . . . . . . . 555 . 27700 4 227 1 1 . . 8.186 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 4 227 2 1 . . 122.341 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 4 227 3 1 . . 52.088 . . 1 . 1 1 29 ALA CA . . . . . . . . . . 528 . 27700 4 228 1 1 . . 8.186 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 4 228 2 1 . . 122.341 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 4 228 3 1 . . 19.181 . . 1 . 1 1 29 ALA CB . . . . . . . . . . 529 . 27700 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 27700 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NGH1x_low_ionic_strength _Spectral_peak_list.Sample_condition_list_ID 5 _Spectral_peak_list.Sample_condition_list_label $CondSet15 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name 'HNCACO (H[N[ca[CO]]])' _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 . . 5180.54496951 . . . . . . . 27700 5 2 . . N 15 15N . . 2888.50375505 . . . . . . . 27700 5 3 . . C 13 13C . . 3584.22939068 . . . . . . . 27700 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27700 5 2 1.0 . . 27700 5 3 1.0 . . 27700 5 4 1.0 . . 27700 5 5 1.0 . . 27700 5 6 1.0 . . 27700 5 7 1.0 . . 27700 5 8 1.0 . . 27700 5 9 1.0 . . 27700 5 10 1.0 . . 27700 5 11 1.0 . . 27700 5 12 1.0 . . 27700 5 13 1.0 . . 27700 5 14 1.0 . . 27700 5 15 1.0 . . 27700 5 16 1.0 . . 27700 5 17 1.0 . . 27700 5 18 1.0 . . 27700 5 19 1.0 . . 27700 5 20 1.0 . . 27700 5 21 1.0 . . 27700 5 22 1.0 . . 27700 5 23 1.0 . . 27700 5 24 1.0 . . 27700 5 25 1.0 . . 27700 5 26 1.0 . . 27700 5 27 1.0 . . 27700 5 28 1.0 . . 27700 5 29 1.0 . . 27700 5 30 1.0 . . 27700 5 31 1.0 . . 27700 5 32 1.0 . . 27700 5 33 1.0 . . 27700 5 34 1.0 . . 27700 5 35 1.0 . . 27700 5 36 1.0 . . 27700 5 37 1.0 . . 27700 5 38 1.0 . . 27700 5 39 1.0 . . 27700 5 40 1.0 . . 27700 5 41 1.0 . . 27700 5 42 1.0 . . 27700 5 43 1.0 . . 27700 5 44 1.0 . . 27700 5 45 1.0 . . 27700 5 46 1.0 . . 27700 5 47 1.0 . . 27700 5 48 1.0 . . 27700 5 49 1.0 . . 27700 5 50 1.0 . . 27700 5 51 1.0 . . 27700 5 52 1.0 . . 27700 5 53 1.0 . . 27700 5 54 1.0 . . 27700 5 55 1.0 . . 27700 5 56 1.0 . . 27700 5 57 1.0 . . 27700 5 58 1.0 . . 27700 5 59 1.0 . . 27700 5 60 1.0 . . 27700 5 61 1.0 . . 27700 5 62 1.0 . . 27700 5 63 1.0 . . 27700 5 64 1.0 . . 27700 5 65 1.0 . . 27700 5 66 1.0 . . 27700 5 67 1.0 . . 27700 5 68 1.0 . . 27700 5 69 1.0 . . 27700 5 70 1.0 . . 27700 5 71 1.0 . . 27700 5 72 1.0 . . 27700 5 73 1.0 . . 27700 5 74 1.0 . . 27700 5 75 1.0 . . 27700 5 76 1.0 . . 27700 5 77 1.0 . . 27700 5 78 1.0 . . 27700 5 79 1.0 . . 27700 5 80 1.0 . . 27700 5 81 1.0 . . 27700 5 82 1.0 . . 27700 5 83 1.0 . . 27700 5 84 1.0 . . 27700 5 85 1.0 . . 27700 5 86 1.0 . . 27700 5 87 1.0 . . 27700 5 88 1.0 . . 27700 5 89 1.0 . . 27700 5 90 1.0 . . 27700 5 91 1.0 . . 27700 5 92 1.0 . . 27700 5 93 1.0 . . 27700 5 94 1.0 . . 27700 5 95 1.0 . . 27700 5 96 1.0 . . 27700 5 97 1.0 . . 27700 5 98 1.0 . . 27700 5 99 1.0 . . 27700 5 100 1.0 . . 27700 5 101 1.0 . . 27700 5 102 1.0 . . 27700 5 103 1.0 . . 27700 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 56402.0 . height 27700 5 1 756479.0 . volume 27700 5 2 72009.5 . height 27700 5 2 1022846.0 . volume 27700 5 3 86258.0 . height 27700 5 3 1265306.5 . volume 27700 5 4 159715.5 . height 27700 5 4 2291135.5 . volume 27700 5 5 857164.5 . height 27700 5 5 13230299.0 . volume 27700 5 6 3392116.5 . height 27700 5 6 37526948.0 . volume 27700 5 7 259561.5 . height 27700 5 7 3434113.0 . volume 27700 5 8 67410.0 . height 27700 5 8 1027345.5 . volume 27700 5 9 69228.5 . height 27700 5 9 1043548.0 . volume 27700 5 10 141596.0 . height 27700 5 10 2066336.0 . volume 27700 5 11 3129236.5 . height 27700 5 11 34441431.0 . volume 27700 5 12 54553.5 . height 27700 5 12 840525.5 . volume 27700 5 13 188391.0 . height 27700 5 13 2594674.5 . volume 27700 5 14 198178.5 . height 27700 5 14 2642995.0 . volume 27700 5 15 151974.5 . height 27700 5 15 2178508.5 . volume 27700 5 16 575619.0 . height 27700 5 16 7430309.5 . volume 27700 5 17 3446722.0 . height 27700 5 17 36517365.5 . volume 27700 5 18 63609.5 . height 27700 5 18 1031003.5 . volume 27700 5 19 176574.0 . height 27700 5 19 2556935.5 . volume 27700 5 20 2661370.0 . height 27700 5 20 31051138.0 . volume 27700 5 21 125947.0 . height 27700 5 21 1787983.0 . volume 27700 5 22 253217.0 . height 27700 5 22 3365515.0 . volume 27700 5 23 206507.0 . height 27700 5 23 3121696.0 . volume 27700 5 24 48617.0 . height 27700 5 24 774878.5 . volume 27700 5 25 2223141.0 . height 27700 5 25 23551958.5 . volume 27700 5 26 3690835.5 . height 27700 5 26 40800367.5 . volume 27700 5 27 2494327.5 . height 27700 5 27 32080543.0 . volume 27700 5 28 115439.0 . height 27700 5 28 1697422.5 . volume 27700 5 29 4136874.0 . height 27700 5 29 44120144.5 . volume 27700 5 30 127073.5 . height 27700 5 30 1804205.5 . volume 27700 5 31 102711.5 . height 27700 5 31 1468830.0 . volume 27700 5 32 128616.5 . height 27700 5 32 1758692.0 . volume 27700 5 33 82653.0 . height 27700 5 33 1188232.0 . volume 27700 5 34 152452.0 . height 27700 5 34 2123710.0 . volume 27700 5 35 137029.5 . height 27700 5 35 1926902.0 . volume 27700 5 36 137669.5 . height 27700 5 36 1919752.5 . volume 27700 5 37 753171.5 . height 27700 5 37 10849059.0 . volume 27700 5 38 191424.5 . height 27700 5 38 2381012.5 . volume 27700 5 39 3460668.0 . height 27700 5 39 36400871.0 . volume 27700 5 40 3405515.5 . height 27700 5 40 39077413.0 . volume 27700 5 41 1821911.0 . height 27700 5 41 18840052.0 . volume 27700 5 42 2442630.5 . height 27700 5 42 30651826.5 . volume 27700 5 43 1976667.5 . height 27700 5 43 21132855.5 . volume 27700 5 44 2968868.5 . height 27700 5 44 33049117.0 . volume 27700 5 45 369006.5 . height 27700 5 45 4937765.0 . volume 27700 5 46 100571.5 . height 27700 5 46 1409480.5 . volume 27700 5 47 544951.0 . height 27700 5 47 7225218.0 . volume 27700 5 48 2651471.0 . height 27700 5 48 34690441.0 . volume 27700 5 49 3035656.5 . height 27700 5 49 34198919.5 . volume 27700 5 50 117828.5 . height 27700 5 50 1741164.0 . volume 27700 5 51 2893726.5 . height 27700 5 51 30532322.5 . volume 27700 5 52 123116.0 . height 27700 5 52 1747441.5 . volume 27700 5 53 1448956.5 . height 27700 5 53 17284277.0 . volume 27700 5 54 120555.0 . height 27700 5 54 1843810.0 . volume 27700 5 55 3845372.5 . height 27700 5 55 40885226.0 . volume 27700 5 56 129704.5 . height 27700 5 56 1844555.5 . volume 27700 5 57 150671.0 . height 27700 5 57 2041774.0 . volume 27700 5 58 499508.0 . height 27700 5 58 5839579.0 . volume 27700 5 59 3413883.5 . height 27700 5 59 34836127.0 . volume 27700 5 60 179276.5 . height 27700 5 60 2449220.0 . volume 27700 5 61 211495.0 . height 27700 5 61 3064343.5 . volume 27700 5 62 2960726.0 . height 27700 5 62 36074811.0 . volume 27700 5 63 2021542.5 . height 27700 5 63 23561956.0 . volume 27700 5 64 140342.0 . height 27700 5 64 1992058.5 . volume 27700 5 65 126506.0 . height 27700 5 65 1747097.5 . volume 27700 5 66 311549.0 . height 27700 5 66 4264600.0 . volume 27700 5 67 159986.5 . height 27700 5 67 2326811.0 . volume 27700 5 68 1890354.5 . height 27700 5 68 19711269.5 . volume 27700 5 69 259602.0 . height 27700 5 69 3402583.0 . volume 27700 5 70 72887.5 . height 27700 5 70 1065463.0 . volume 27700 5 71 76860.0 . height 27700 5 71 1018247.0 . volume 27700 5 72 776471.0 . height 27700 5 72 10274037.0 . volume 27700 5 73 167795.0 . height 27700 5 73 2383474.5 . volume 27700 5 74 77465.5 . height 27700 5 74 1113995.5 . volume 27700 5 75 1558697.5 . height 27700 5 75 19149889.5 . volume 27700 5 76 1068071.5 . height 27700 5 76 12498058.5 . volume 27700 5 77 1939722.5 . height 27700 5 77 23178199.0 . volume 27700 5 78 139802.0 . height 27700 5 78 1292961.5 . volume 27700 5 79 1609263.0 . height 27700 5 79 23526543.5 . volume 27700 5 80 136269.5 . height 27700 5 80 1984120.0 . volume 27700 5 81 125872.0 . height 27700 5 81 1749468.5 . volume 27700 5 82 82816.5 . height 27700 5 82 1301372.0 . volume 27700 5 83 61568.0 . height 27700 5 83 855140.0 . volume 27700 5 84 56605.5 . height 27700 5 84 812459.0 . volume 27700 5 85 100869.5 . height 27700 5 85 1586178.5 . volume 27700 5 86 75595.5 . height 27700 5 86 1023866.5 . volume 27700 5 87 38086.5 . height 27700 5 87 594422.5 . volume 27700 5 88 45075.0 . height 27700 5 88 548730.0 . volume 27700 5 89 161791.0 . height 27700 5 89 2336437.0 . volume 27700 5 90 41381.0 . height 27700 5 90 652678.5 . volume 27700 5 91 46225.5 . height 27700 5 91 763476.5 . volume 27700 5 92 63969.5 . height 27700 5 92 1014044.0 . volume 27700 5 93 83464.0 . height 27700 5 93 1232246.5 . volume 27700 5 94 79204.0 . height 27700 5 94 1233507.0 . volume 27700 5 95 170664.5 . height 27700 5 95 2344747.5 . volume 27700 5 96 1859971.0 . height 27700 5 96 23354856.5 . volume 27700 5 97 86166.0 . height 27700 5 97 1196254.0 . volume 27700 5 98 35221.5 . height 27700 5 98 586393.5 . volume 27700 5 99 26304.0 . height 27700 5 99 464519.5 . volume 27700 5 100 40196.5 . height 27700 5 100 760803.5 . volume 27700 5 101 3951114.0 . height 27700 5 101 47176050.0 . volume 27700 5 102 1666065.5 . height 27700 5 102 20122908.5 . volume 27700 5 103 41340.0 . height 27700 5 103 547639.5 . volume 27700 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 8.411 . 24.8531947230 . . . . . . . . . . . 27700 5 1 2 120.000 . 24.8397450307 . . . . . . . . . . . 27700 5 1 3 174.079 . 34.8180852911 . . . . . . . . . . . 27700 5 2 1 7.722 . 27.2353929354 . . . . . . . . . . . 27700 5 2 2 119.929 . 24.4035567940 . . . . . . . . . . . 27700 5 2 3 174.898 . 38.6039415995 . . . . . . . . . . . 27700 5 3 1 7.566 . 28.5339064714 . . . . . . . . . . . 27700 5 3 2 118.910 . 24.7772479594 . . . . . . . . . . . 27700 5 3 3 177.647 . 43.4577678694 . . . . . . . . . . . 27700 5 4 1 7.470 . 25.8496530899 . . . . . . . . . . . 27700 5 4 2 117.833 . 23.5126722348 . . . . . . . . . . . 27700 5 4 3 179.323 . 43.3553290624 . . . . . . . . . . . 27700 5 5 1 8.426 . 24.8228699514 . . . . . . . . . . . 27700 5 5 2 124.056 . 52.0413800652 . . . . . . . . . . . 27700 5 5 3 176.718 . 37.3720054558 . . . . . . . . . . . 27700 5 6 1 8.416 . 21.6924335535 . . . . . . . . . . . 27700 5 6 2 126.803 . 21.5898973277 . . . . . . . . . . . 27700 5 6 3 177.548 . 32.5095268988 . . . . . . . . . . . 27700 5 7 1 7.364 . 24.7709089663 . . . . . . . . . . . 27700 5 7 2 120.652 . 24.1445296765 . . . . . . . . . . . 27700 5 7 3 177.183 . 38.0540406832 . . . . . . . . . . . 27700 5 8 1 9.101 . 26.8871691532 . . . . . . . . . . . 27700 5 8 2 119.828 . 24.3546610137 . . . . . . . . . . . 27700 5 8 3 175.619 . 47.0148192512 . . . . . . . . . . . 27700 5 9 1 9.148 . 24.5887899726 . . . . . . . . . . . 27700 5 9 2 125.998 . 27.9502225432 . . . . . . . . . . . 27700 5 9 3 178.356 . 41.8363719858 . . . . . . . . . . . 27700 5 10 1 7.237 . 28.5645719708 . . . . . . . . . . . 27700 5 10 2 117.751 . 25.5170548878 . . . . . . . . . . . 27700 5 10 3 178.725 . 39.9245369819 . . . . . . . . . . . 27700 5 11 1 8.508 . 22.0777966627 . . . . . . . . . . . 27700 5 11 2 126.703 . 20.9561460353 . . . . . . . . . . . 27700 5 11 3 178.469 . 32.7232704368 . . . . . . . . . . . 27700 5 12 1 7.750 . 26.8800138700 . . . . . . . . . . . 27700 5 12 2 114.496 . 26.1833459776 . . . . . . . . . . . 27700 5 12 3 172.290 . 43.5976999208 . . . . . . . . . . . 27700 5 13 1 8.201 . 23.9816130843 . . . . . . . . . . . 27700 5 13 2 119.569 . 23.2891117748 . . . . . . . . . . . 27700 5 13 3 178.853 . 46.2142156444 . . . . . . . . . . . 27700 5 14 1 7.808 . 25.8193283183 . . . . . . . . . . . 27700 5 14 2 113.497 . 24.1545154345 . . . . . . . . . . . 27700 5 14 3 175.787 . 38.3050638288 . . . . . . . . . . . 27700 5 15 1 8.578 . 27.0929687270 . . . . . . . . . . . 27700 5 15 2 117.659 . 25.0026161859 . . . . . . . . . . . 27700 5 15 3 179.576 . 42.3836024431 . . . . . . . . . . . 27700 5 16 1 8.420 . 23.0141165780 . . . . . . . . . . . 27700 5 16 2 116.566 . 23.3427421817 . . . . . . . . . . . 27700 5 16 3 174.926 . 36.2921786565 . . . . . . . . . . . 27700 5 17 1 8.360 . 20.6642875039 . . . . . . . . . . . 27700 5 17 2 126.464 . 20.3457665815 . . . . . . . . . . . 27700 5 17 3 177.411 . 32.4317631328 . . . . . . . . . . . 27700 5 18 1 7.938 . 25.8970142501 . . . . . . . . . . . 27700 5 18 2 114.441 . 23.6753712218 . . . . . . . . . . . 27700 5 18 3 175.259 . 85.8153066328 . . . . . . . . . . . 27700 5 19 1 8.646 . 26.0731705078 . . . . . . . . . . . 27700 5 19 2 119.122 . 24.8690997156 . . . . . . . . . . . 27700 5 19 3 179.264 . 40.4900333787 . . . . . . . . . . . 27700 5 20 1 8.302 . 20.5549138893 . . . . . . . . . . . 27700 5 20 2 123.965 . 23.8693187445 . . . . . . . . . . . 27700 5 20 3 175.321 . 30.4148188629 . . . . . . . . . . . 27700 5 21 1 8.803 . 29.1502830095 . . . . . . . . . . . 27700 5 21 2 126.121 . 25.7897263383 . . . . . . . . . . . 27700 5 21 3 177.675 . 38.4596299954 . . . . . . . . . . . 27700 5 22 1 7.679 . 25.6922368596 . . . . . . . . . . . 27700 5 22 2 114.372 . 23.7413116579 . . . . . . . . . . . 27700 5 22 3 175.254 . 39.7289525651 . . . . . . . . . . . 27700 5 23 1 7.679 . 26.0459122861 . . . . . . . . . . . 27700 5 23 2 114.239 . 26.5772669113 . . . . . . . . . . . 27700 5 23 3 175.247 . 39.6261933029 . . . . . . . . . . . 27700 5 24 1 8.806 . 24.5755015895 . . . . . . . . . . . 27700 5 24 2 119.066 . 26.6122170641 . . . . . . . . . . . 27700 5 24 3 175.452 . 50.9602621892 . . . . . . . . . . . 27700 5 25 1 8.310 . 22.4042138675 . . . . . . . . . . . 27700 5 25 2 109.371 . 18.4438670735 . . . . . . . . . . . 27700 5 25 3 174.340 . 33.2343962885 . . . . . . . . . . . 27700 5 26 1 8.485 . 21.8842632887 . . . . . . . . . . . 27700 5 26 2 126.811 . 20.8604635358 . . . . . . . . . . . 27700 5 26 3 178.286 . 33.0170209263 . . . . . . . . . . . 27700 5 27 1 8.465 . 22.0973885096 . . . . . . . . . . . 27700 5 27 2 125.477 . 23.9047854020 . . . . . . . . . . . 27700 5 27 3 176.230 . 34.9369741255 . . . . . . . . . . . 27700 5 28 1 8.406 . 27.6139414892 . . . . . . . . . . . 27700 5 28 2 117.743 . 25.8710327898 . . . . . . . . . . . 27700 5 28 3 174.602 . 41.1998413797 . . . . . . . . . . . 27700 5 29 1 8.604 . 20.5225447511 . . . . . . . . . . . 27700 5 29 2 125.277 . 21.7303005276 . . . . . . . . . . . 27700 5 29 3 176.359 . 30.9437833807 . . . . . . . . . . . 27700 5 30 1 7.177 . 27.4568659867 . . . . . . . . . . . 27700 5 30 2 125.083 . 25.0077812331 . . . . . . . . . . . 27700 5 30 3 175.010 . 40.5723903342 . . . . . . . . . . . 27700 5 31 1 8.149 . 25.1886412138 . . . . . . . . . . . 27700 5 31 2 118.901 . 26.0080787090 . . . . . . . . . . . 27700 5 31 3 179.466 . 39.2630108796 . . . . . . . . . . . 27700 5 32 1 8.042 . 25.4203360982 . . . . . . . . . . . 27700 5 32 2 111.903 . 25.5952192689 . . . . . . . . . . . 27700 5 32 3 175.248 . 36.2201830820 . . . . . . . . . . . 27700 5 33 1 8.568 . 29.2243912998 . . . . . . . . . . . 27700 5 33 2 127.696 . 24.0402387650 . . . . . . . . . . . 27700 5 33 3 175.633 . 39.7849253856 . . . . . . . . . . . 27700 5 34 1 7.304 . 24.2659504094 . . . . . . . . . . . 27700 5 34 2 111.393 . 24.6083509158 . . . . . . . . . . . 27700 5 34 3 176.014 . 42.1373861238 . . . . . . . . . . . 27700 5 35 1 8.213 . 26.7747289887 . . . . . . . . . . . 27700 5 35 2 108.074 . 23.1666140719 . . . . . . . . . . . 27700 5 35 3 172.785 . 45.4110483969 . . . . . . . . . . . 27700 5 36 1 8.985 . 24.4439806698 . . . . . . . . . . . 27700 5 36 2 125.017 . 24.7576207801 . . . . . . . . . . . 27700 5 36 3 175.249 . 37.6532581972 . . . . . . . . . . . 27700 5 37 1 8.442 . 24.0989938015 . . . . . . . . . . . 27700 5 37 2 123.485 . 25.0780258752 . . . . . . . . . . . 27700 5 37 3 176.292 . 40.0883963458 . . . . . . . . . . . 27700 5 38 1 8.176 . 27.2798579095 . . . . . . . . . . . 27700 5 38 2 121.926 . 21.5129381243 . . . . . . . . . . . 27700 5 38 3 174.772 . 36.7196657324 . . . . . . . . . . . 27700 5 39 1 8.460 . 20.0514886074 . . . . . . . . . . . 27700 5 39 2 120.507 . 19.1714500568 . . . . . . . . . . . 27700 5 39 3 177.584 . 32.8915093535 . . . . . . . . . . . 27700 5 40 1 8.307 . 21.2569834619 . . . . . . . . . . . 27700 5 40 2 123.301 . 21.0640955219 . . . . . . . . . . . 27700 5 40 3 176.383 . 38.9870990562 . . . . . . . . . . . 27700 5 41 1 8.345 . 22.2985882585 . . . . . . . . . . . 27700 5 41 2 118.848 . 20.0772271688 . . . . . . . . . . . 27700 5 41 3 174.678 . 30.9504061190 . . . . . . . . . . . 27700 5 42 1 8.375 . 22.2771224089 . . . . . . . . . . . 27700 5 42 2 121.610 . 23.7815990261 . . . . . . . . . . . 27700 5 42 3 176.673 . 40.3468967766 . . . . . . . . . . . 27700 5 43 1 8.386 . 22.4904179936 . . . . . . . . . . . 27700 5 43 2 120.506 . 19.7923748153 . . . . . . . . . . . 27700 5 43 3 174.325 . 31.6838209774 . . . . . . . . . . . 27700 5 44 1 8.425 . 20.1770467911 . . . . . . . . . . . 27700 5 44 2 123.108 . 22.7524633700 . . . . . . . . . . . 27700 5 44 3 175.844 . 32.3827335057 . . . . . . . . . . . 27700 5 45 1 8.504 . 28.1602984703 . . . . . . . . . . . 27700 5 45 2 120.484 . 22.5738388207 . . . . . . . . . . . 27700 5 45 3 174.687 . 42.0172154690 . . . . . . . . . . . 27700 5 46 1 8.460 . 25.1731381002 . . . . . . . . . . . 27700 5 46 2 123.067 . 24.9828168383 . . . . . . . . . . . 27700 5 46 3 180.628 . 40.2280613513 . . . . . . . . . . . 27700 5 47 1 8.122 . 25.2644531429 . . . . . . . . . . . 27700 5 47 2 116.322 . 23.2079344495 . . . . . . . . . . . 27700 5 47 3 174.732 . 40.0872213439 . . . . . . . . . . . 27700 5 48 1 8.409 . 20.5194782011 . . . . . . . . . . . 27700 5 48 2 122.804 . 25.7533557976 . . . . . . . . . . . 27700 5 48 3 176.344 . 31.5373730061 . . . . . . . . . . . 27700 5 49 1 8.075 . 22.0398055162 . . . . . . . . . . . 27700 5 49 2 120.386 . 18.7950041995 . . . . . . . . . . . 27700 5 49 3 176.455 . 35.3246179533 . . . . . . . . . . . 27700 5 50 1 8.974 . 27.2253414661 . . . . . . . . . . . 27700 5 50 2 122.462 . 25.8181771400 . . . . . . . . . . . 27700 5 50 3 178.020 . 43.9221072795 . . . . . . . . . . . 27700 5 51 1 8.329 . 20.5484400617 . . . . . . . . . . . 27700 5 51 2 124.015 . 19.5565904103 . . . . . . . . . . . 27700 5 51 3 177.304 . 32.4929700530 . . . . . . . . . . . 27700 5 52 1 7.431 . 24.9228735523 . . . . . . . . . . . 27700 5 52 2 121.346 . 24.4348053296 . . . . . . . . . . . 27700 5 52 3 180.412 . 43.6722591359 . . . . . . . . . . . 27700 5 53 1 8.386 . 23.9294817353 . . . . . . . . . . . 27700 5 53 2 124.461 . 21.9259697326 . . . . . . . . . . . 27700 5 53 3 176.622 . 34.0902249873 . . . . . . . . . . . 27700 5 54 1 7.898 . 26.8827396922 . . . . . . . . . . . 27700 5 54 2 121.151 . 25.1714271455 . . . . . . . . . . . 27700 5 54 3 177.783 . 42.2991091205 . . . . . . . . . . . 27700 5 55 1 8.193 . 21.2557909147 . . . . . . . . . . . 27700 5 55 2 125.079 . 19.6070357047 . . . . . . . . . . . 27700 5 55 3 177.893 . 33.8991269416 . . . . . . . . . . . 27700 5 56 1 9.083 . 24.8831787669 . . . . . . . . . . . 27700 5 56 2 122.289 . 23.9194197024 . . . . . . . . . . . 27700 5 56 3 177.162 . 41.4580213554 . . . . . . . . . . . 27700 5 57 1 9.036 . 26.2932806480 . . . . . . . . . . . 27700 5 57 2 125.172 . 23.4458709576 . . . . . . . . . . . 27700 5 57 3 177.231 . 41.5654806253 . . . . . . . . . . . 27700 5 58 1 8.626 . 26.1776035697 . . . . . . . . . . . 27700 5 58 2 121.084 . 20.5862425711 . . . . . . . . . . . 27700 5 58 3 175.368 . 35.6839549157 . . . . . . . . . . . 27700 5 59 1 8.077 . 20.8702574416 . . . . . . . . . . . 27700 5 59 2 128.919 . 20.5806471033 . . . . . . . . . . . 27700 5 59 3 181.479 . 30.2489833593 . . . . . . . . . . . 27700 5 60 1 8.588 . 24.7675016886 . . . . . . . . . . . 27700 5 60 2 120.163 . 24.2750332026 . . . . . . . . . . . 27700 5 60 3 180.248 . 41.9899233780 . . . . . . . . . . . 27700 5 61 1 7.608 . 24.6465433298 . . . . . . . . . . . 27700 5 61 2 122.078 . 25.0856012777 . . . . . . . . . . . 27700 5 61 3 180.238 . 42.3423705563 . . . . . . . . . . . 27700 5 62 1 8.173 . 21.0307402218 . . . . . . . . . . . 27700 5 62 2 121.024 . 23.8694048286 . . . . . . . . . . . 27700 5 62 3 176.650 . 32.6239293621 . . . . . . . . . . . 27700 5 63 1 8.211 . 21.6944779201 . . . . . . . . . . . 27700 5 63 2 116.977 . 19.3646228224 . . . . . . . . . . . 27700 5 63 3 174.556 . 43.7237455853 . . . . . . . . . . . 27700 5 64 1 8.833 . 28.0270739118 . . . . . . . . . . . 27700 5 64 2 119.999 . 25.0341229739 . . . . . . . . . . . 27700 5 64 3 175.618 . 41.4126235524 . . . . . . . . . . . 27700 5 65 1 8.033 . 26.2493267655 . . . . . . . . . . . 27700 5 65 2 120.052 . 24.1298953761 . . . . . . . . . . . 27700 5 65 3 179.225 . 39.0425377849 . . . . . . . . . . . 27700 5 66 1 8.309 . 25.9195022830 . . . . . . . . . . . 27700 5 66 2 121.934 . 25.0246537207 . . . . . . . . . . . 27700 5 66 3 173.749 . 35.2680042226 . . . . . . . . . . . 27700 5 67 1 7.868 . 25.3869447766 . . . . . . . . . . . 27700 5 67 2 120.634 . 24.6309910394 . . . . . . . . . . . 27700 5 67 3 179.145 . 44.5048014323 . . . . . . . . . . . 27700 5 68 1 8.482 . 22.2520789177 . . . . . . . . . . . 27700 5 68 2 109.472 . 20.1953345816 . . . . . . . . . . . 27700 5 68 3 174.790 . 31.5379070979 . . . . . . . . . . . 27700 5 69 1 8.678 . 27.7861793775 . . . . . . . . . . . 27700 5 69 2 112.662 . 22.9600121836 . . . . . . . . . . . 27700 5 69 3 174.620 . 39.7885572099 . . . . . . . . . . . 27700 5 70 1 8.698 . 31.3231040065 . . . . . . . . . . . 27700 5 70 2 114.984 . 25.3631364810 . . . . . . . . . . . 27700 5 70 3 174.835 . 39.5937205216 . . . . . . . . . . . 27700 5 71 1 8.038 . 20.8315848396 . . . . . . . . . . . 27700 5 71 2 117.060 . 25.1851145206 . . . . . . . . . . . 27700 5 71 3 172.751 . 36.7329112091 . . . . . . . . . . . 27700 5 72 1 8.362 . 23.0839657711 . . . . . . . . . . . 27700 5 72 2 116.445 . 23.2728418761 . . . . . . . . . . . 27700 5 72 3 174.569 . 42.7933576714 . . . . . . . . . . . 27700 5 73 1 8.184 . 21.5472835230 . . . . . . . . . . . 27700 5 73 2 122.303 . 29.5259062780 . . . . . . . . . . . 27700 5 73 3 176.555 . 35.9213053112 . . . . . . . . . . . 27700 5 74 1 7.999 . 25.7039919677 . . . . . . . . . . . 27700 5 74 2 115.673 . 24.9668051920 . . . . . . . . . . . 27700 5 74 3 174.844 . 44.8583702033 . . . . . . . . . . . 27700 5 75 1 8.380 . 22.7110392255 . . . . . . . . . . . 27700 5 75 2 110.144 . 23.0466128084 . . . . . . . . . . . 27700 5 75 3 174.752 . 34.0272021550 . . . . . . . . . . . 27700 5 76 1 8.346 . 21.9193582491 . . . . . . . . . . . 27700 5 76 2 118.949 . 22.4170796379 . . . . . . . . . . . 27700 5 76 3 172.746 . 32.3279356871 . . . . . . . . . . . 27700 5 77 1 8.431 . 22.7871918824 . . . . . . . . . . . 27700 5 77 2 123.777 . 21.8410907902 . . . . . . . . . . . 27700 5 77 3 176.486 . 35.4640159128 . . . . . . . . . . . 27700 5 78 1 8.189 . 21.8236137454 . . . . . . . . . . . 27700 5 78 2 123.629 . 16.8444241216 . . . . . . . . . . . 27700 5 78 3 177.625 . 33.5770695868 . . . . . . . . . . . 27700 5 79 1 8.327 . 24.1685022668 . . . . . . . . . . . 27700 5 79 2 123.477 . 25.0855151936 . . . . . . . . . . . 27700 5 79 3 176.693 . 41.4730827441 . . . . . . . . . . . 27700 5 80 1 8.442 . 24.6630686267 . . . . . . . . . . . 27700 5 80 2 120.993 . 26.7756047241 . . . . . . . . . . . 27700 5 80 3 178.580 . 37.9695473606 . . . . . . . . . . . 27700 5 81 1 7.488 . 24.6267811191 . . . . . . . . . . . 27700 5 81 2 105.024 . 25.3591766115 . . . . . . . . . . . 27700 5 81 3 175.088 . 37.6408672675 . . . . . . . . . . . 27700 5 82 1 7.025 . 28.7104034569 . . . . . . . . . . . 27700 5 82 2 104.621 . 26.9550040304 . . . . . . . . . . . 27700 5 82 3 171.964 . 39.8257299991 . . . . . . . . . . . 27700 5 83 1 8.774 . 28.6800786853 . . . . . . . . . . . 27700 5 83 2 121.919 . 23.8523601728 . . . . . . . . . . . 27700 5 83 3 174.553 . 39.0013058980 . . . . . . . . . . . 27700 5 84 1 9.389 . 27.6861757767 . . . . . . . . . . . 27700 5 84 2 121.666 . 25.6444593856 . . . . . . . . . . . 27700 5 84 3 177.727 . 37.4379123838 . . . . . . . . . . . 27700 5 85 1 8.530 . 29.3339352782 . . . . . . . . . . . 27700 5 85 2 120.277 . 25.4431947127 . . . . . . . . . . . 27700 5 85 3 177.421 . 62.3253083998 . . . . . . . . . . . 27700 5 86 1 9.315 . 29.4577898230 . . . . . . . . . . . 27700 5 86 2 120.231 . 25.2397779369 . . . . . . . . . . . 27700 5 86 3 175.437 . 33.8802200919 . . . . . . . . . . . 27700 5 87 1 6.735 . 23.8690025559 . . . . . . . . . . . 27700 5 87 2 117.562 . 30.1401164751 . . . . . . . . . . . 27700 5 87 3 177.658 . 45.9651152293 . . . . . . . . . . . 27700 5 88 1 7.087 . 20.9513506511 . . . . . . . . . . . 27700 5 88 2 127.514 . 22.1736337462 . . . . . . . . . . . 27700 5 88 3 175.726 . 37.3539531530 . . . . . . . . . . . 27700 5 90 1 8.075 . 28.3383287308 . . . . . . . . . . . 27700 5 90 2 110.016 . 30.0097851172 . . . . . . . . . . . 27700 5 90 3 175.133 . 33.0154186509 . . . . . . . . . . . 27700 5 92 1 8.811 . 25.7218801757 . . . . . . . . . . . 27700 5 92 2 121.359 . 28.1941849396 . . . . . . . . . . . 27700 5 92 3 178.089 . 40.3389922180 . . . . . . . . . . . 27700 5 93 1 8.540 . 29.2066734557 . . . . . . . . . . . 27700 5 93 2 122.186 . 24.6632725844 . . . . . . . . . . . 27700 5 93 3 176.601 . 41.0558502307 . . . . . . . . . . . 27700 5 94 1 8.328 . 29.1492608262 . . . . . . . . . . . 27700 5 94 2 120.186 . 26.8390487206 . . . . . . . . . . . 27700 5 94 3 179.955 . 40.8586101293 . . . . . . . . . . . 27700 5 95 1 7.965 . 25.5302208044 . . . . . . . . . . . 27700 5 95 2 121.000 . 24.6514790599 . . . . . . . . . . . 27700 5 95 3 177.079 . 40.1107213830 . . . . . . . . . . . 27700 5 96 1 8.523 . 23.5347486124 . . . . . . . . . . . 27700 5 96 2 124.057 . 23.0991241217 . . . . . . . . . . . 27700 5 96 3 176.474 . 35.5137932685 . . . . . . . . . . . 27700 5 97 1 7.740 . 29.4968031529 . . . . . . . . . . . 27700 5 97 2 120.428 . 24.9404634512 . . . . . . . . . . . 27700 5 97 3 180.492 . 37.2650268685 . . . . . . . . . . . 27700 5 98 1 8.621 . 30.8844170011 . . . . . . . . . . . 27700 5 98 2 113.501 . 25.2445125635 . . . . . . . . . . . 27700 5 98 3 173.627 . 44.5908970303 . . . . . . . . . . . 27700 5 99 1 9.240 . 33.0947180528 . . . . . . . . . . . 27700 5 99 2 128.485 . 29.2079545803 . . . . . . . . . . . 27700 5 99 3 177.090 . 46.9914260304 . . . . . . . . . . . 27700 5 101 1 8.282 . 20.8111411733 . . . . . . . . . . . 27700 5 101 2 123.677 . 19.9320893423 . . . . . . . . . . . 27700 5 101 3 176.568 . 44.3975557990 . . . . . . . . . . . 27700 5 102 1 8.093 . 24.3633985519 . . . . . . . . . . . 27700 5 102 2 123.825 . 23.1071299449 . . . . . . . . . . . 27700 5 102 3 174.785 . 34.1624341985 . . . . . . . . . . . 27700 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 . . 8.411 . . 1 . 1 1 114 PHE H . . . . . . . . . . 1 . 27700 5 1 2 1 . . 120.000 . . 1 . 1 1 114 PHE N . . . . . . . . . . 2 . 27700 5 2 1 1 . . 7.722 . . 1 . 1 1 102 LEU H . . . . . . . . . . 3 . 27700 5 2 2 1 . . 119.929 . . 1 . 1 1 102 LEU N . . . . . . . . . . 4 . 27700 5 2 3 1 . . 174.898 . . 1 . 1 1 102 LEU C . . . . . . . . . . 223 . 27700 5 3 1 1 . . 7.566 . . 1 . 1 1 53 VAL H . . . . . . . . . . 5 . 27700 5 3 2 1 . . 118.910 . . 1 . 1 1 53 VAL N . . . . . . . . . . 6 . 27700 5 3 3 1 . . 177.647 . . 1 . 1 1 53 VAL C . . . . . . . . . . 225 . 27700 5 4 1 1 . . 7.470 . . 1 . 1 1 94 LYS H . . . . . . . . . . 7 . 27700 5 4 2 1 . . 117.833 . . 1 . 1 1 94 LYS N . . . . . . . . . . 8 . 27700 5 4 3 1 . . 179.323 . . 1 . 1 1 94 LYS C . . . . . . . . . . 228 . 27700 5 5 1 1 . . 8.426 . . 1 . 1 1 40 LYS H . . . . . . . . . . 9 . 27700 5 5 2 1 . . 124.056 . . 1 . 1 1 40 LYS N . . . . . . . . . . 10 . 27700 5 5 3 1 . . 176.718 . . 1 . 1 1 34 LYS C . . . . . . . . . . 231 . 27700 5 6 1 1 . . 8.416 . . 1 . 1 1 28 ALA H . . . . . . . . . . 11 . 27700 5 6 2 1 . . 126.803 . . 1 . 1 1 28 ALA N . . . . . . . . . . 12 . 27700 5 6 3 1 . . 177.548 . . 1 . 1 1 28 ALA C . . . . . . . . . . 234 . 27700 5 7 1 1 . . 7.364 . . 1 . 1 1 77 VAL H . . . . . . . . . . 13 . 27700 5 7 2 1 . . 120.652 . . 1 . 1 1 77 VAL N . . . . . . . . . . 14 . 27700 5 7 3 1 . . 177.183 . . 1 . 1 1 77 VAL C . . . . . . . . . . 235 . 27700 5 8 1 1 . . 9.101 . . 1 . 1 1 103 LEU H . . . . . . . . . . 15 . 27700 5 8 2 1 . . 119.828 . . 1 . 1 1 103 LEU N . . . . . . . . . . 16 . 27700 5 8 3 1 . . 175.619 . . 1 . 1 1 103 LEU C . . . . . . . . . . 239 . 27700 5 9 1 1 . . 9.148 . . 1 . 1 1 82 GLN H . . . . . . . . . . 17 . 27700 5 9 2 1 . . 125.998 . . 1 . 1 1 82 GLN N . . . . . . . . . . 18 . 27700 5 9 3 1 . . 178.356 . . 1 . 1 1 82 GLN C . . . . . . . . . . 242 . 27700 5 10 1 1 . . 7.237 . . 1 . 1 1 73 GLU H . . . . . . . . . . 19 . 27700 5 10 2 1 . . 117.751 . . 1 . 1 1 73 GLU N . . . . . . . . . . 20 . 27700 5 10 3 1 . . 178.725 . . 1 . 1 1 73 GLU C . . . . . . . . . . 246 . 27700 5 11 1 1 . . 8.508 . . 1 . 1 1 14 ALA H . . . . . . . . . . 21 . 27700 5 11 2 1 . . 126.703 . . 1 . 1 1 14 ALA N . . . . . . . . . . 22 . 27700 5 11 3 1 . . 178.469 . . 1 . 1 1 14 ALA C . . . . . . . . . . 249 . 27700 5 12 1 1 . . 7.750 . . 1 . 1 1 113 SER H . . . . . . . . . . 23 . 27700 5 12 2 1 . . 114.496 . . 1 . 1 1 113 SER N . . . . . . . . . . 24 . 27700 5 12 3 1 . . 172.290 . . 1 . 1 1 113 SER C . . . . . . . . . . 254 . 27700 5 13 1 1 . . 8.201 . . 1 . 1 1 58 ARG H . . . . . . . . . . 25 . 27700 5 13 2 1 . . 119.569 . . 1 . 1 1 58 ARG N . . . . . . . . . . 26 . 27700 5 13 3 1 . . 178.853 . . 1 . 1 1 58 ARG C . . . . . . . . . . 258 . 27700 5 14 1 1 . . 7.808 . . 1 . 1 1 100 ASP H . . . . . . . . . . 27 . 27700 5 14 2 1 . . 113.497 . . 1 . 1 1 100 ASP N . . . . . . . . . . 28 . 27700 5 14 3 1 . . 175.787 . . 1 . 1 1 100 ASP C . . . . . . . . . . 261 . 27700 5 15 1 1 . . 8.578 . . 1 . 1 1 54 GLU H . . . . . . . . . . 29 . 27700 5 15 2 1 . . 117.659 . . 1 . 1 1 54 GLU N . . . . . . . . . . 30 . 27700 5 15 3 1 . . 179.576 . . 1 . 1 1 54 GLU C . . . . . . . . . . 264 . 27700 5 16 1 1 . . 8.420 . . 1 . 1 1 33 SER H . . . . . . . . . . 31 . 27700 5 16 2 1 . . 116.566 . . 1 . 1 1 33 SER N . . . . . . . . . . 32 . 27700 5 16 3 1 . . 174.926 . . 1 . 1 1 33 SER C . . . . . . . . . . 268 . 27700 5 17 1 1 . . 8.360 . . 1 . 1 1 8 ALA H . . . . . . . . . . 33 . 27700 5 17 2 1 . . 126.464 . . 1 . 1 1 8 ALA N . . . . . . . . . . 34 . 27700 5 17 3 1 . . 177.411 . . 1 . 1 1 8 ALA C . . . . . . . . . . 274 . 27700 5 18 1 1 . . 7.938 . . 1 . 1 1 72 THR H . . . . . . . . . . 35 . 27700 5 18 2 1 . . 114.441 . . 1 . 1 1 72 THR N . . . . . . . . . . 36 . 27700 5 18 3 1 . . 175.259 . . 1 . 1 1 72 THR C . . . . . . . . . . 276 . 27700 5 19 1 1 . . 8.646 . . 1 . 1 1 61 GLU H . . . . . . . . . . 37 . 27700 5 19 2 1 . . 119.122 . . 1 . 1 1 61 GLU N . . . . . . . . . . 38 . 27700 5 19 3 1 . . 179.264 . . 1 . 1 1 61 GLU C . . . . . . . . . . 279 . 27700 5 20 1 1 . . 8.302 . . 1 . 1 1 9 LEU H . . . . . . . . . . 39 . 27700 5 20 2 1 . . 123.965 . . 1 . 1 1 9 LEU N . . . . . . . . . . 40 . 27700 5 20 3 1 . . 175.321 . . 1 . 1 1 9 LEU C . . . . . . . . . . 283 . 27700 5 21 1 1 . . 8.803 . . 1 . 1 1 110 ALA H . . . . . . . . . . 41 . 27700 5 21 2 1 . . 126.121 . . 1 . 1 1 110 ALA N . . . . . . . . . . 42 . 27700 5 21 3 1 . . 177.675 . . 1 . 1 1 110 ALA C . . . . . . . . . . 287 . 27700 5 22 1 1 . . 7.679 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 5 22 2 1 . . 114.372 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 5 23 1 1 . . 7.679 . . 1 . 1 1 99 ASN H . . . . . . . . . . 43 . 27700 5 23 2 1 . . 114.239 . . 1 . 1 1 99 ASN N . . . . . . . . . . 44 . 27700 5 23 3 1 . . 175.247 . . 1 . 1 1 99 ASN C . . . . . . . . . . 292 . 27700 5 24 1 1 . . 8.806 . . 1 . 1 1 101 THR H . . . . . . . . . . 49 . 27700 5 24 2 1 . . 119.066 . . 1 . 1 1 101 THR N . . . . . . . . . . 50 . 27700 5 24 3 1 . . 175.452 . . 1 . 1 1 101 THR C . . . . . . . . . . 301 . 27700 5 25 1 1 . . 8.310 . . 1 . 1 1 26 GLY H . . . . . . . . . . 53 . 27700 5 25 2 1 . . 109.371 . . 1 . 1 1 26 GLY N . . . . . . . . . . 54 . 27700 5 25 3 1 . . 174.340 . . 1 . 1 1 26 GLY C . . . . . . . . . . 307 . 27700 5 26 1 1 . . 8.485 . . 1 . 1 1 24 ALA H . . . . . . . . . . 57 . 27700 5 26 2 1 . . 126.811 . . 1 . 1 1 24 ALA N . . . . . . . . . . 58 . 27700 5 26 3 1 . . 178.286 . . 1 . 1 1 24 ALA C . . . . . . . . . . 311 . 27700 5 27 1 1 . . 8.465 . . 1 . 1 1 23 LYS H . . . . . . . . . . 59 . 27700 5 27 2 1 . . 125.477 . . 1 . 1 1 23 LYS N . . . . . . . . . . 60 . 27700 5 27 3 1 . . 176.230 . . 1 . 1 1 23 LYS C . . . . . . . . . . 314 . 27700 5 28 1 1 . . 8.406 . . 1 . 1 1 39 SER H . . . . . . . . . . 61 . 27700 5 28 2 1 . . 117.743 . . 1 . 1 1 39 SER N . . . . . . . . . . 62 . 27700 5 28 3 1 . . 174.602 . . 1 . 1 1 39 SER C . . . . . . . . . . 318 . 27700 5 29 1 1 . . 8.604 . . 1 . 1 1 4 GLU H . . . . . . . . . . 63 . 27700 5 29 2 1 . . 125.277 . . 1 . 1 1 4 GLU N . . . . . . . . . . 64 . 27700 5 29 3 1 . . 176.359 . . 1 . 1 1 4 GLU C . . . . . . . . . . 328 . 27700 5 30 1 1 . . 7.177 . . 1 . 1 1 80 PHE H . . . . . . . . . . 65 . 27700 5 30 2 1 . . 125.083 . . 1 . 1 1 80 PHE N . . . . . . . . . . 66 . 27700 5 30 3 1 . . 175.010 . . 1 . 1 1 80 PHE C . . . . . . . . . . 331 . 27700 5 31 1 1 . . 8.149 . . 1 . 1 1 59 LEU H . . . . . . . . . . 69 . 27700 5 31 2 1 . . 118.901 . . 1 . 1 1 59 LEU N . . . . . . . . . . 70 . 27700 5 31 3 1 . . 179.466 . . 1 . 1 1 59 LEU C . . . . . . . . . . 335 . 27700 5 32 1 1 . . 8.042 . . 1 . 1 1 108 THR H . . . . . . . . . . 85 . 27700 5 32 2 1 . . 111.903 . . 1 . 1 1 108 THR N . . . . . . . . . . 86 . 27700 5 32 3 1 . . 175.248 . . 1 . 1 1 108 THR C . . . . . . . . . . 348 . 27700 5 33 1 1 . . 8.568 . . 1 . 1 1 105 VAL H . . . . . . . . . . 91 . 27700 5 33 2 1 . . 127.696 . . 1 . 1 1 105 VAL N . . . . . . . . . . 92 . 27700 5 33 3 1 . . 175.633 . . 1 . 1 1 105 VAL C . . . . . . . . . . 353 . 27700 5 34 1 1 . . 7.304 . . 1 . 1 1 75 LYS H . . . . . . . . . . 95 . 27700 5 34 2 1 . . 111.393 . . 1 . 1 1 75 LYS N . . . . . . . . . . 96 . 27700 5 34 3 1 . . 176.014 . . 1 . 1 1 75 LYS C . . . . . . . . . . 360 . 27700 5 35 1 1 . . 8.213 . . 1 . 1 1 112 GLY H . . . . . . . . . . 97 . 27700 5 35 2 1 . . 108.074 . . 1 . 1 1 112 GLY N . . . . . . . . . . 98 . 27700 5 35 3 1 . . 172.785 . . 1 . 1 1 112 GLY C . . . . . . . . . . 364 . 27700 5 36 1 1 . . 8.985 . . 1 . 1 1 104 GLN H . . . . . . . . . . 101 . 27700 5 36 2 1 . . 125.017 . . 1 . 1 1 104 GLN N . . . . . . . . . . 102 . 27700 5 36 3 1 . . 175.249 . . 1 . 1 1 104 GLN C . . . . . . . . . . 366 . 27700 5 37 1 1 . . 8.442 . . 1 . 1 1 42 LYS H . . . . . . . . . . 103 . 27700 5 37 2 1 . . 123.485 . . 1 . 1 1 42 LYS N . . . . . . . . . . 104 . 27700 5 37 3 1 . . 176.292 . . 1 . 1 1 42 LYS C . . . . . . . . . . 369 . 27700 5 38 1 1 . . 8.176 . . 1 . 1 1 117 ASN H . . . . . . . . . . 107 . 27700 5 38 2 1 . . 121.926 . . 1 . 1 1 117 ASN N . . . . . . . . . . 108 . 27700 5 38 3 1 . . 174.772 . . 1 . 1 1 117 ASN C . . . . . . . . . . 371 . 27700 5 39 1 1 . . 8.460 . . 1 . 1 1 15 GLU H . . . . . . . . . . 113 . 27700 5 39 2 1 . . 120.507 . . 1 . 1 1 15 GLU N . . . . . . . . . . 114 . 27700 5 39 3 1 . . 177.584 . . 1 . 1 1 15 GLU C . . . . . . . . . . 380 . 27700 5 40 1 1 . . 8.307 . . 1 . 1 1 21 VAL H . . . . . . . . . . 115 . 27700 5 40 2 1 . . 123.301 . . 1 . 1 1 21 VAL N . . . . . . . . . . 116 . 27700 5 40 3 1 . . 176.383 . . 1 . 1 1 21 VAL C . . . . . . . . . . 396 . 27700 5 41 1 1 . . 8.345 . . 1 . 1 1 12 THR H . . . . . . . . . . 117 . 27700 5 41 2 1 . . 118.848 . . 1 . 1 1 12 THR N . . . . . . . . . . 118 . 27700 5 41 3 1 . . 174.678 . . 1 . 1 1 12 THR C . . . . . . . . . . 387 . 27700 5 42 1 1 . . 8.375 . . 1 . 1 1 11 VAL H . . . . . . . . . . 119 . 27700 5 42 2 1 . . 121.610 . . 1 . 1 1 11 VAL N . . . . . . . . . . 120 . 27700 5 42 3 1 . . 176.673 . . 1 . 1 1 11 VAL C . . . . . . . . . . 390 . 27700 5 43 1 1 . . 8.386 . . 1 . 1 1 22 THR H . . . . . . . . . . 121 . 27700 5 43 2 1 . . 120.506 . . 1 . 1 1 22 THR N . . . . . . . . . . 122 . 27700 5 43 3 1 . . 174.325 . . 1 . 1 1 22 THR C . . . . . . . . . . 395 . 27700 5 44 1 1 . . 8.425 . . 1 . 1 1 7 GLU H . . . . . . . . . . 125 . 27700 5 44 2 1 . . 123.108 . . 1 . 1 1 7 GLU N . . . . . . . . . . 126 . 27700 5 44 3 1 . . 175.844 . . 1 . 1 1 7 GLU C . . . . . . . . . . 400 . 27700 5 45 1 1 . . 8.504 . . 1 . 1 1 43 ASN H . . . . . . . . . . 129 . 27700 5 45 2 1 . . 120.484 . . 1 . 1 1 43 ASN N . . . . . . . . . . 130 . 27700 5 45 3 1 . . 174.687 . . 1 . 1 1 43 ASN C . . . . . . . . . . 491 . 27700 5 46 1 1 . . 8.460 . . 1 . 1 1 97 VAL H . . . . . . . . . . 131 . 27700 5 46 2 1 . . 123.067 . . 1 . 1 1 97 VAL N . . . . . . . . . . 132 . 27700 5 46 3 1 . . 180.628 . . 1 . 1 1 97 VAL C . . . . . . . . . . 404 . 27700 5 47 1 1 . . 8.122 . . 1 . 1 1 111 ASN H . . . . . . . . . . 135 . 27700 5 47 2 1 . . 116.322 . . 1 . 1 1 111 ASN N . . . . . . . . . . 136 . 27700 5 47 3 1 . . 174.732 . . 1 . 1 1 111 ASN C . . . . . . . . . . 407 . 27700 5 48 1 1 . . 8.409 . . 1 . 1 1 6 GLU H . . . . . . . . . . 139 . 27700 5 48 2 1 . . 122.804 . . 1 . 1 1 6 GLU N . . . . . . . . . . 140 . 27700 5 48 3 1 . . 176.344 . . 1 . 1 1 6 GLU C . . . . . . . . . . 412 . 27700 5 49 1 1 . . 8.075 . . 1 . 1 1 17 MET H . . . . . . . . . . 145 . 27700 5 49 2 1 . . 120.386 . . 1 . 1 1 17 MET N . . . . . . . . . . 146 . 27700 5 49 3 1 . . 176.455 . . 1 . 1 1 17 MET C . . . . . . . . . . 417 . 27700 5 50 1 1 . . 8.974 . . 1 . 1 1 86 ARG H . . . . . . . . . . 147 . 27700 5 50 2 1 . . 122.462 . . 1 . 1 1 86 ARG N . . . . . . . . . . 148 . 27700 5 50 3 1 . . 178.020 . . 1 . 1 1 86 ARG C . . . . . . . . . . 419 . 27700 5 51 1 1 . . 8.329 . . 1 . 1 1 5 LEU H . . . . . . . . . . 149 . 27700 5 51 2 1 . . 124.015 . . 1 . 1 1 5 LEU N . . . . . . . . . . 150 . 27700 5 51 3 1 . . 177.304 . . 1 . 1 1 5 LEU C . . . . . . . . . . 422 . 27700 5 52 1 1 . . 7.431 . . 1 . 1 1 88 TYR H . . . . . . . . . . 151 . 27700 5 52 2 1 . . 121.346 . . 1 . 1 1 88 TYR N . . . . . . . . . . 152 . 27700 5 52 3 1 . . 180.412 . . 1 . 1 1 88 TYR C . . . . . . . . . . 426 . 27700 5 53 1 1 . . 8.386 . . 1 . 1 1 34 LYS H . . . . . . . . . . 153 . 27700 5 53 2 1 . . 124.461 . . 1 . 1 1 34 LYS N . . . . . . . . . . 154 . 27700 5 53 3 1 . . 176.622 . . 1 . 1 1 34 LYS C . . . . . . . . . . 231 . 27700 5 54 1 1 . . 7.898 . . 1 . 1 1 50 GLN H . . . . . . . . . . 159 . 27700 5 54 2 1 . . 121.151 . . 1 . 1 1 50 GLN N . . . . . . . . . . 160 . 27700 5 54 3 1 . . 177.783 . . 1 . 1 1 50 GLN C . . . . . . . . . . 531 . 27700 5 55 1 1 . . 8.193 . . 1 . 1 1 18 ALA H . . . . . . . . . . 71 . 27700 5 55 2 1 . . 125.079 . . 1 . 1 1 18 ALA N . . . . . . . . . . 72 . 27700 5 55 3 1 . . 177.893 . . 1 . 1 1 18 ALA C . . . . . . . . . . 439 . 27700 5 56 1 1 . . 9.083 . . 1 . 1 1 116 LEU H . . . . . . . . . . 163 . 27700 5 56 2 1 . . 122.289 . . 1 . 1 1 116 LEU N . . . . . . . . . . 164 . 27700 5 56 3 1 . . 177.162 . . 1 . 1 1 116 LEU C . . . . . . . . . . 445 . 27700 5 57 1 1 . . 9.036 . . 1 . 1 1 74 ALA H . . . . . . . . . . 165 . 27700 5 57 2 1 . . 125.172 . . 1 . 1 1 74 ALA N . . . . . . . . . . 166 . 27700 5 57 3 1 . . 177.231 . . 1 . 1 1 74 ALA C . . . . . . . . . . 448 . 27700 5 58 1 1 . . 8.626 . . 1 . 1 1 38 ASN H . . . . . . . . . . 167 . 27700 5 58 2 1 . . 121.084 . . 1 . 1 1 38 ASN N . . . . . . . . . . 168 . 27700 5 58 3 1 . . 175.368 . . 1 . 1 1 38 ASN C . . . . . . . . . . 451 . 27700 5 59 1 1 . . 8.077 . . 1 . 1 1 119 LYS H . . . . . . . . . . 169 . 27700 5 59 2 1 . . 128.919 . . 1 . 1 1 119 LYS N . . . . . . . . . . 170 . 27700 5 59 3 1 . . 181.479 . . 1 . 1 1 119 LYS C . . . . . . . . . . 454 . 27700 5 60 1 1 . . 8.588 . . 1 . 1 1 68 ALA H . . . . . . . . . . 171 . 27700 5 60 2 1 . . 120.163 . . 1 . 1 1 68 ALA N . . . . . . . . . . 172 . 27700 5 60 3 1 . . 180.248 . . 1 . 1 1 68 ALA C . . . . . . . . . . 457 . 27700 5 61 1 1 . . 7.608 . . 1 . 1 1 95 ALA H . . . . . . . . . . 179 . 27700 5 61 2 1 . . 122.078 . . 1 . 1 1 95 ALA N . . . . . . . . . . 180 . 27700 5 61 3 1 . . 180.238 . . 1 . 1 1 95 ALA C . . . . . . . . . . 469 . 27700 5 62 1 1 . . 8.173 . . 1 . 1 1 19 LYS H . . . . . . . . . . 181 . 27700 5 62 2 1 . . 121.024 . . 1 . 1 1 19 LYS N . . . . . . . . . . 182 . 27700 5 62 3 1 . . 176.650 . . 1 . 1 1 41 LYS C . . . . . . . . . . 342 . 27700 5 63 1 1 . . 8.211 . . 1 . 1 1 13 THR H . . . . . . . . . . 183 . 27700 5 63 2 1 . . 116.977 . . 1 . 1 1 13 THR N . . . . . . . . . . 184 . 27700 5 63 3 1 . . 174.556 . . 1 . 1 1 13 THR C . . . . . . . . . . 472 . 27700 5 64 1 1 . . 8.833 . . 1 . 1 1 115 LYS H . . . . . . . . . . 185 . 27700 5 64 2 1 . . 119.999 . . 1 . 1 1 115 LYS N . . . . . . . . . . 186 . 27700 5 64 3 1 . . 175.618 . . 1 . 1 1 115 LYS C . . . . . . . . . . 475 . 27700 5 65 1 1 . . 8.033 . . 1 . 1 1 90 LYS H . . . . . . . . . . 193 . 27700 5 65 2 1 . . 120.052 . . 1 . 1 1 90 LYS N . . . . . . . . . . 194 . 27700 5 65 3 1 . . 179.225 . . 1 . 1 1 90 LYS C . . . . . . . . . . 487 . 27700 5 66 1 1 . . 8.309 . . 1 . 1 1 44 GLN H . . . . . . . . . . 195 . 27700 5 66 2 1 . . 121.934 . . 1 . 1 1 44 GLN N . . . . . . . . . . 196 . 27700 5 66 3 1 . . 173.749 . . 1 . 1 1 44 GLN C . . . . . . . . . . 490 . 27700 5 67 1 1 . . 7.868 . . 1 . 1 1 69 LYS H . . . . . . . . . . 197 . 27700 5 67 2 1 . . 120.634 . . 1 . 1 1 69 LYS N . . . . . . . . . . 198 . 27700 5 67 3 1 . . 179.145 . . 1 . 1 1 69 LYS C . . . . . . . . . . 495 . 27700 5 68 1 1 . . 8.482 . . 1 . 1 1 25 GLY H . . . . . . . . . . 199 . 27700 5 68 2 1 . . 109.472 . . 1 . 1 1 25 GLY N . . . . . . . . . . 200 . 27700 5 68 3 1 . . 174.790 . . 1 . 1 1 25 GLY C . . . . . . . . . . 497 . 27700 5 69 1 1 . . 8.678 . . 1 . 1 1 109 GLY H . . . . . . . . . . 209 . 27700 5 69 2 1 . . 112.662 . . 1 . 1 1 109 GLY N . . . . . . . . . . 210 . 27700 5 69 3 1 . . 174.620 . . 1 . 1 1 109 GLY C . . . . . . . . . . 498 . 27700 5 70 1 1 . . 8.698 . . 1 . 1 1 63 ASN H . . . . . . . . . . 211 . 27700 5 70 2 1 . . 114.984 . . 1 . 1 1 63 ASN N . . . . . . . . . . 212 . 27700 5 70 3 1 . . 174.835 . . 1 . 1 1 63 ASN C . . . . . . . . . . 502 . 27700 5 71 1 1 . . 8.038 . . 1 . 1 1 31 SER H . . . . . . . . . . 207 . 27700 5 71 2 1 . . 117.060 . . 1 . 1 1 31 SER N . . . . . . . . . . 208 . 27700 5 71 3 1 . . 172.751 . . 1 . 1 1 31 SER C . . . . . . . . . . 506 . 27700 5 72 1 1 . . 8.362 . . 1 . 1 1 27 SER H . . . . . . . . . . 213 . 27700 5 72 2 1 . . 116.445 . . 1 . 1 1 27 SER N . . . . . . . . . . 214 . 27700 5 72 3 1 . . 174.569 . . 1 . 1 1 27 SER C . . . . . . . . . . 509 . 27700 5 73 1 1 . . 8.184 . . 1 . 1 1 30 LEU H . . . . . . . . . . 203 . 27700 5 73 2 1 . . 122.303 . . 1 . 1 1 30 LEU N . . . . . . . . . . 204 . 27700 5 73 3 1 . . 176.555 . . 1 . 1 1 30 LEU C . . . . . . . . . . 511 . 27700 5 74 1 1 . . 7.999 . . 1 . 1 1 84 ASN H . . . . . . . . . . 215 . 27700 5 74 2 1 . . 115.673 . . 1 . 1 1 84 ASN N . . . . . . . . . . 216 . 27700 5 74 3 1 . . 174.844 . . 1 . 1 1 84 ASN C . . . . . . . . . . 513 . 27700 5 75 1 1 . . 8.380 . . 1 . 1 1 16 GLY H . . . . . . . . . . 217 . 27700 5 75 2 1 . . 110.144 . . 1 . 1 1 16 GLY N . . . . . . . . . . 218 . 27700 5 75 3 1 . . 174.752 . . 1 . 1 1 16 GLY C . . . . . . . . . . 516 . 27700 5 76 1 1 . . 8.346 . . 1 . . . . . . . . . . . . . . . . 386 . 27700 5 76 2 1 . . 118.949 . . 1 . . . . . . . . . . . . . . . . 385 . 27700 5 76 3 1 . . 172.746 . . 1 . . . . . . . . . . . . . . . . 519 . 27700 5 77 1 2 . . 8.431 . . 1 . 1 1 36 ARG H . . . . . . . . . . 83 . 27700 5 77 2 2 . . 123.777 . . 1 . 1 1 36 ARG N . . . . . . . . . . 84 . 27700 5 77 3 1 . . 176.486 . . 1 . 1 1 36 ARG C . . . . . . . . . . 524 . 27700 5 78 1 1 . . 8.189 . . 1 . 1 1 29 ALA H . . . . . . . . . . 123 . 27700 5 78 2 1 . . 123.629 . . 1 . 1 1 29 ALA N . . . . . . . . . . 124 . 27700 5 78 3 1 . . 177.625 . . 1 . 1 1 29 ALA C . . . . . . . . . . 527 . 27700 5 79 1 1 . . 8.327 . . 1 . 1 1 41 LYS H . . . . . . . . . . 105 . 27700 5 79 2 1 . . 123.477 . . 1 . 1 1 41 LYS N . . . . . . . . . . 106 . 27700 5 79 3 1 . . 176.693 . . 1 . 1 1 41 LYS C . . . . . . . . . . 342 . 27700 5 80 1 1 . . 8.442 . . 1 . 1 1 57 ARG H . . . . . . . . . . 175 . 27700 5 80 2 1 . . 120.993 . . 1 . 1 1 57 ARG N . . . . . . . . . . 176 . 27700 5 80 3 1 . . 178.580 . . 1 . 1 1 57 ARG C . . . . . . . . . . 533 . 27700 5 81 1 1 . . 7.488 . . 1 . 1 1 60 GLY H . . . . . . . . . . 143 . 27700 5 81 2 1 . . 105.024 . . 1 . 1 1 60 GLY N . . . . . . . . . . 144 . 27700 5 81 3 1 . . 175.088 . . 1 . 1 1 60 GLY C . . . . . . . . . . 534 . 27700 5 82 1 1 . . 7.025 . . 1 . 1 1 64 GLY H . . . . . . . . . . 191 . 27700 5 82 2 1 . . 104.621 . . 1 . 1 1 64 GLY N . . . . . . . . . . 192 . 27700 5 82 3 1 . . 171.964 . . 1 . 1 1 64 GLY C . . . . . . . . . . 535 . 27700 5 83 1 1 . . 8.774 . . 1 . 1 1 66 SER H . . . . . . . . . . 187 . 27700 5 83 2 1 . . 121.919 . . 1 . 1 1 66 SER N . . . . . . . . . . 188 . 27700 5 83 3 1 . . 174.553 . . 1 . 1 1 66 SER C . . . . . . . . . . 536 . 27700 5 84 1 1 . . 9.389 . . 1 . 1 1 67 LEU H . . . . . . . . . . 111 . 27700 5 84 2 1 . . 121.666 . . 1 . 1 1 67 LEU N . . . . . . . . . . 112 . 27700 5 84 3 1 . . 177.727 . . 1 . 1 1 67 LEU C . . . . . . . . . . 537 . 27700 5 85 1 1 . . 8.530 . . 1 . 1 1 70 ILE H . . . . . . . . . . 161 . 27700 5 85 2 1 . . 120.277 . . 1 . 1 1 70 ILE N . . . . . . . . . . 162 . 27700 5 85 3 1 . . 177.421 . . 1 . 1 1 70 ILE C . . . . . . . . . . 538 . 27700 5 86 1 1 . . 9.315 . . 1 . 1 1 71 TYR H . . . . . . . . . . 155 . 27700 5 86 2 1 . . 120.231 . . 1 . 1 1 71 TYR N . . . . . . . . . . 156 . 27700 5 86 3 1 . . 175.437 . . 1 . 1 1 71 TYR C . . . . . . . . . . 539 . 27700 5 87 1 1 . . 6.735 . . 1 . 1 1 76 LYS H . . . . . . . . . . 205 . 27700 5 87 2 1 . . 117.562 . . 1 . 1 1 76 LYS N . . . . . . . . . . 206 . 27700 5 87 3 1 . . 177.658 . . 1 . 1 1 76 LYS C . . . . . . . . . . 541 . 27700 5 88 1 1 . . 7.087 . . 1 . 1 1 81 ASP H . . . . . . . . . . 73 . 27700 5 88 2 1 . . 127.514 . . 1 . 1 1 81 ASP N . . . . . . . . . . 74 . 27700 5 88 3 1 . . 175.726 . . 1 . 1 1 81 ASP C . . . . . . . . . . 542 . 27700 5 90 1 1 . . 8.075 . . 1 . 1 1 85 GLY H . . . . . . . . . . 109 . 27700 5 90 2 1 . . 110.016 . . 1 . 1 1 85 GLY N . . . . . . . . . . 110 . 27700 5 90 3 1 . . 175.133 . . 1 . 1 1 85 GLY C . . . . . . . . . . 544 . 27700 5 92 1 1 . . 8.811 . . 1 . 1 1 89 LEU H . . . . . . . . . . 141 . 27700 5 92 2 1 . . 121.359 . . 1 . 1 1 89 LEU N . . . . . . . . . . 142 . 27700 5 92 3 1 . . 178.089 . . 1 . 1 1 89 LEU C . . . . . . . . . . 486 . 27700 5 93 1 1 . . 8.540 . . 1 . 1 1 93 ILE H . . . . . . . . . . 173 . 27700 5 93 2 1 . . 122.186 . . 1 . 1 1 93 ILE N . . . . . . . . . . 174 . 27700 5 93 3 1 . . 176.601 . . 1 . 1 1 93 ILE C . . . . . . . . . . 546 . 27700 5 94 1 1 . . 8.328 . . 1 . 1 1 96 LEU H . . . . . . . . . . 177 . 27700 5 94 2 1 . . 120.186 . . 1 . 1 1 96 LEU N . . . . . . . . . . 178 . 27700 5 94 3 1 . . 179.955 . . 1 . 1 1 96 LEU C . . . . . . . . . . 547 . 27700 5 95 1 1 . . 7.965 . . 1 . 1 1 98 GLN H . . . . . . . . . . 189 . 27700 5 95 2 1 . . 121.000 . . 1 . 1 1 98 GLN N . . . . . . . . . . 190 . 27700 5 95 3 1 . . 177.079 . . 1 . 1 1 98 GLN C . . . . . . . . . . 549 . 27700 5 95 3 2 . . 177.079 . . 1 . . . . . . . . . . . . . . . . 550 . 27700 5 96 1 1 . . 8.523 . . 1 . 1 1 37 LYS H . . . . . . . . . . 99 . 27700 5 96 2 1 . . 124.057 . . 1 . 1 1 37 LYS N . . . . . . . . . . 100 . 27700 5 96 3 1 . . 176.474 . . 1 . 1 1 37 LYS C . . . . . . . . . . 551 . 27700 5 97 1 1 . . 7.740 . . 1 . 1 1 51 LEU H . . . . . . . . . . 137 . 27700 5 97 2 1 . . 120.428 . . 1 . 1 1 51 LEU N . . . . . . . . . . 138 . 27700 5 97 3 1 . . 180.492 . . 1 . 1 1 51 LEU C . . . . . . . . . . 340 . 27700 5 98 1 1 . . 8.621 . . 1 . 1 1 65 SER H . . . . . . . . . . 89 . 27700 5 98 2 1 . . 113.501 . . 1 . 1 1 65 SER N . . . . . . . . . . 90 . 27700 5 98 3 1 . . 173.627 . . 1 . 1 1 65 SER C . . . . . . . . . . 478 . 27700 5 99 1 1 . . 9.240 . . 1 . 1 1 62 ARG H . . . . . . . . . . 77 . 27700 5 99 2 1 . . 128.485 . . 1 . 1 1 62 ARG N . . . . . . . . . . 78 . 27700 5 99 3 1 . . 177.090 . . 1 . 1 1 62 ARG C . . . . . . . . . . 501 . 27700 5 101 1 1 . . 8.282 . . 1 . 1 1 20 LYS H . . . . . . . . . . 79 . 27700 5 101 2 1 . . 123.677 . . 1 . 1 1 20 LYS N . . . . . . . . . . 80 . 27700 5 101 3 1 . . 176.568 . . 1 . 1 1 20 LYS C . . . . . . . . . . 383 . 27700 5 102 1 1 . . 8.093 . . 1 . 1 1 118 ARG H . . . . . . . . . . 67 . 27700 5 102 2 1 . . 123.825 . . 1 . 1 1 118 ARG N . . . . . . . . . . 68 . 27700 5 102 3 1 . . 174.785 . . 1 . 1 1 118 ARG C . . . . . . . . . . 559 . 27700 5 stop_ save_