data_16298 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16298 _Entry.Title ; Solution NMR structure of the domain N-terminal to the integrase domain of SH1003 from Staphylococcus haemolyticus. Northeast Structural Genomics Consortium Target ShR105F (64-166). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-12 _Entry.Accession_date 2009-05-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'residues 64-166 of SH1003' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yunhuang Yang . . . 16298 2 Theresa Ramelot . A. . 16298 3 Rachel Belote . L. . 16298 4 Erica Foote . L. . 16298 5 Haleema Janjua . . . 16298 6 R. Nair . . . 16298 7 Burkhard Rost . . . 16298 8 G.V.T Swapna . . . 16298 9 Thomas Acton . B. . 16298 10 Rong Xiao . . . 16298 11 John Everett . K. . 16298 12 Gaetano Montelio . T. . 16298 13 Michael Kennedy . A. . 16298 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16298 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha . 16298 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16298 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 511 16298 '15N chemical shifts' 116 16298 '1H chemical shifts' 803 16298 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 3 . . 2010-06-03 2009-05-12 update BMRB 'edit assembly name' 16298 2 . . 2009-06-23 2009-05-12 update BMRB 'added time domain data' 16298 1 . . 2009-06-11 2009-05-12 original author 'original release' 16298 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIW 'BMRB Entry Tracking System' 16298 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16298 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the domain N-terminal to the integrase domain of SH1003 from Staphylococcus haemolyticus. Northeast Structural Genomics Consortium Target ShR105F (64-166). ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 16298 1 2 Theresa Ramelot . A. . 16298 1 3 Rachel Belote . L. . 16298 1 4 Erica Foote . L. . 16298 1 5 Haleema Janjua . . . 16298 1 6 R. Nair . . . 16298 1 7 Burkhard Rost . . . 16298 1 8 G.V.T Swapna . . . 16298 1 9 Thomas Acton . B. . 16298 1 10 Rong Xiao . . . 16298 1 11 John Everett . K. . 16298 1 12 Gaetano Montelio . T. . 16298 1 13 Michael Kennedy . A. . 16298 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16298 _Assembly.ID 1 _Assembly.Name SH1003 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SH1003 1 $SH1003 A . yes native no no . . . 16298 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH1003 _Entity.Sf_category entity _Entity.Sf_framecode SH1003 _Entity.Entry_ID 16298 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH1003 _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 ; TFKQVADDWLKQYANDVKVS SVRAREKAIQHAIERFNTKP IQTIKKHDYQRFVDDISAQY SKNYVDSIVASTNMIFKYAY DTRLIKAMPSEGIKRPKKKV SVELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 64-166 of SH1003 followed by 8 non-native C-terminal residues (LEHHHHHH)' _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13123.101 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KIW . "Solution Nmr Structure Of The Domain N-Terminal To The Integrase Domain Of Sh1003 From Staphylococcus Haemolyticus. Northeast S" . . . . . 100.00 111 100.00 100.00 4.55e-74 . . . . 16298 1 2 no DBJ BAE04312 . "int [Staphylococcus haemolyticus JCSC1435]" . . . . . 92.79 391 100.00 100.00 4.76e-64 . . . . 16298 1 3 no GB AKC75758 . "pathogenicity island protein, integrase [Staphylococcus haemolyticus]" . . . . . 92.79 391 100.00 100.00 4.76e-64 . . . . 16298 1 4 no GB KDP56009 . "site-specific recombinase, phage integrase family [Staphylococcus aureus subsp. aureus CO-98]" . . . . . 92.79 391 100.00 100.00 4.76e-64 . . . . 16298 1 5 no GB KQC18344 . "recombinase [Staphylococcus haemolyticus]" . . . . . 92.79 391 100.00 100.00 4.76e-64 . . . . 16298 1 6 no REF WP_011275311 . "MULTISPECIES: recombinase [Staphylococcus]" . . . . . 92.79 391 100.00 100.00 4.76e-64 . . . . 16298 1 7 no REF WP_016931052 . "recombinase [Staphylococcus haemolyticus]" . . . . . 92.79 391 99.03 100.00 2.11e-63 . . . . 16298 1 8 no REF WP_033079901 . "recombinase [Staphylococcus haemolyticus]" . . . . . 92.79 391 100.00 100.00 5.13e-64 . . . . 16298 1 9 no REF WP_048667935 . "recombinase [Staphylococcus haemolyticus]" . . . . . 92.79 391 100.00 100.00 8.23e-64 . . . . 16298 1 10 no REF WP_049383042 . "recombinase [Staphylococcus epidermidis]" . . . . . 92.79 391 97.09 98.06 2.09e-61 . . . . 16298 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 64 THR . 16298 1 2 65 PHE . 16298 1 3 66 LYS . 16298 1 4 67 GLN . 16298 1 5 68 VAL . 16298 1 6 69 ALA . 16298 1 7 70 ASP . 16298 1 8 71 ASP . 16298 1 9 72 TRP . 16298 1 10 73 LEU . 16298 1 11 74 LYS . 16298 1 12 75 GLN . 16298 1 13 76 TYR . 16298 1 14 77 ALA . 16298 1 15 78 ASN . 16298 1 16 79 ASP . 16298 1 17 80 VAL . 16298 1 18 81 LYS . 16298 1 19 82 VAL . 16298 1 20 83 SER . 16298 1 21 84 SER . 16298 1 22 85 VAL . 16298 1 23 86 ARG . 16298 1 24 87 ALA . 16298 1 25 88 ARG . 16298 1 26 89 GLU . 16298 1 27 90 LYS . 16298 1 28 91 ALA . 16298 1 29 92 ILE . 16298 1 30 93 GLN . 16298 1 31 94 HIS . 16298 1 32 95 ALA . 16298 1 33 96 ILE . 16298 1 34 97 GLU . 16298 1 35 98 ARG . 16298 1 36 99 PHE . 16298 1 37 100 ASN . 16298 1 38 101 THR . 16298 1 39 102 LYS . 16298 1 40 103 PRO . 16298 1 41 104 ILE . 16298 1 42 105 GLN . 16298 1 43 106 THR . 16298 1 44 107 ILE . 16298 1 45 108 LYS . 16298 1 46 109 LYS . 16298 1 47 110 HIS . 16298 1 48 111 ASP . 16298 1 49 112 TYR . 16298 1 50 113 GLN . 16298 1 51 114 ARG . 16298 1 52 115 PHE . 16298 1 53 116 VAL . 16298 1 54 117 ASP . 16298 1 55 118 ASP . 16298 1 56 119 ILE . 16298 1 57 120 SER . 16298 1 58 121 ALA . 16298 1 59 122 GLN . 16298 1 60 123 TYR . 16298 1 61 124 SER . 16298 1 62 125 LYS . 16298 1 63 126 ASN . 16298 1 64 127 TYR . 16298 1 65 128 VAL . 16298 1 66 129 ASP . 16298 1 67 130 SER . 16298 1 68 131 ILE . 16298 1 69 132 VAL . 16298 1 70 133 ALA . 16298 1 71 134 SER . 16298 1 72 135 THR . 16298 1 73 136 ASN . 16298 1 74 137 MET . 16298 1 75 138 ILE . 16298 1 76 139 PHE . 16298 1 77 140 LYS . 16298 1 78 141 TYR . 16298 1 79 142 ALA . 16298 1 80 143 TYR . 16298 1 81 144 ASP . 16298 1 82 145 THR . 16298 1 83 146 ARG . 16298 1 84 147 LEU . 16298 1 85 148 ILE . 16298 1 86 149 LYS . 16298 1 87 150 ALA . 16298 1 88 151 MET . 16298 1 89 152 PRO . 16298 1 90 153 SER . 16298 1 91 154 GLU . 16298 1 92 155 GLY . 16298 1 93 156 ILE . 16298 1 94 157 LYS . 16298 1 95 158 ARG . 16298 1 96 159 PRO . 16298 1 97 160 LYS . 16298 1 98 161 LYS . 16298 1 99 162 LYS . 16298 1 100 163 VAL . 16298 1 101 164 SER . 16298 1 102 165 VAL . 16298 1 103 166 GLU . 16298 1 104 167 LEU . 16298 1 105 168 GLU . 16298 1 106 169 HIS . 16298 1 107 170 HIS . 16298 1 108 171 HIS . 16298 1 109 172 HIS . 16298 1 110 173 HIS . 16298 1 111 174 HIS . 16298 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 . THR 1 1 16298 1 . PHE 2 2 16298 1 . LYS 3 3 16298 1 . GLN 4 4 16298 1 . VAL 5 5 16298 1 . ALA 6 6 16298 1 . ASP 7 7 16298 1 . ASP 8 8 16298 1 . TRP 9 9 16298 1 . LEU 10 10 16298 1 . LYS 11 11 16298 1 . GLN 12 12 16298 1 . TYR 13 13 16298 1 . ALA 14 14 16298 1 . ASN 15 15 16298 1 . ASP 16 16 16298 1 . VAL 17 17 16298 1 . LYS 18 18 16298 1 . VAL 19 19 16298 1 . SER 20 20 16298 1 . SER 21 21 16298 1 . VAL 22 22 16298 1 . ARG 23 23 16298 1 . ALA 24 24 16298 1 . ARG 25 25 16298 1 . GLU 26 26 16298 1 . LYS 27 27 16298 1 . ALA 28 28 16298 1 . ILE 29 29 16298 1 . GLN 30 30 16298 1 . HIS 31 31 16298 1 . ALA 32 32 16298 1 . ILE 33 33 16298 1 . GLU 34 34 16298 1 . ARG 35 35 16298 1 . PHE 36 36 16298 1 . ASN 37 37 16298 1 . THR 38 38 16298 1 . LYS 39 39 16298 1 . PRO 40 40 16298 1 . ILE 41 41 16298 1 . GLN 42 42 16298 1 . THR 43 43 16298 1 . ILE 44 44 16298 1 . LYS 45 45 16298 1 . LYS 46 46 16298 1 . HIS 47 47 16298 1 . ASP 48 48 16298 1 . TYR 49 49 16298 1 . GLN 50 50 16298 1 . ARG 51 51 16298 1 . PHE 52 52 16298 1 . VAL 53 53 16298 1 . ASP 54 54 16298 1 . ASP 55 55 16298 1 . ILE 56 56 16298 1 . SER 57 57 16298 1 . ALA 58 58 16298 1 . GLN 59 59 16298 1 . TYR 60 60 16298 1 . SER 61 61 16298 1 . LYS 62 62 16298 1 . ASN 63 63 16298 1 . TYR 64 64 16298 1 . VAL 65 65 16298 1 . ASP 66 66 16298 1 . SER 67 67 16298 1 . ILE 68 68 16298 1 . VAL 69 69 16298 1 . ALA 70 70 16298 1 . SER 71 71 16298 1 . THR 72 72 16298 1 . ASN 73 73 16298 1 . MET 74 74 16298 1 . ILE 75 75 16298 1 . PHE 76 76 16298 1 . LYS 77 77 16298 1 . TYR 78 78 16298 1 . ALA 79 79 16298 1 . TYR 80 80 16298 1 . ASP 81 81 16298 1 . THR 82 82 16298 1 . ARG 83 83 16298 1 . LEU 84 84 16298 1 . ILE 85 85 16298 1 . LYS 86 86 16298 1 . ALA 87 87 16298 1 . MET 88 88 16298 1 . PRO 89 89 16298 1 . SER 90 90 16298 1 . GLU 91 91 16298 1 . GLY 92 92 16298 1 . ILE 93 93 16298 1 . LYS 94 94 16298 1 . ARG 95 95 16298 1 . PRO 96 96 16298 1 . LYS 97 97 16298 1 . LYS 98 98 16298 1 . LYS 99 99 16298 1 . VAL 100 100 16298 1 . SER 101 101 16298 1 . VAL 102 102 16298 1 . GLU 103 103 16298 1 . LEU 104 104 16298 1 . GLU 105 105 16298 1 . HIS 106 106 16298 1 . HIS 107 107 16298 1 . HIS 108 108 16298 1 . HIS 109 109 16298 1 . HIS 110 110 16298 1 . HIS 111 111 16298 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 16298 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SH1003 . 1283 organism . 'Staphylococcus haemolyticus' 'Staphylococcus haemolyticus' . . Bacteria . Staphylococcus haemolyticus . . . . . . . . . . . . . . . . SH1003 . residues(64-166) . . 16298 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 16298 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SH1003 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16298 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16298 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 SH1003 '[U-100% 13C; U-100% 15N]' . . 1 $SH1003 . . 0.84 . . mM 0.1 . . . 16298 1 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16298 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16298 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16298 1 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16298 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16298 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16298 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16298 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 16298 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 SH1003 'natural abundance' . . 1 $SH1003 . . 0.79 . . mM 0.1 . . . 16298 2 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16298 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16298 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16298 2 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16298 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16298 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16298 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16298 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 16298 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SH1003 '[U-100% 13C; U-100% 15N]' . . 1 $SH1003 . . 0.84 . . mM 0.1 . . . 16298 3 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16298 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16298 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16298 3 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16298 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16298 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16298 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16298 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.02 M 16298 1 pH 6.5 0.1 pH 16298 1 pressure 1 . atm 16298 1 temperature 293 1 K 16298 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16298 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16298 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16298 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16298 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16298 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16298 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16298 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16298 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16298 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16298 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16298 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16298 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16298 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16298 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16298 _Software.ID 6 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16298 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16298 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16298 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16298 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16298 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16298 _Software.ID 8 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16298 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16298 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16298 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16298 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16298 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 16298 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 16298 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16298 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16298 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16298 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16298 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16298 1 2 spectrometer_2 Bruker AvanceIII . 850 . . . 16298 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 16298 _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' yes 1 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 2 '2D 1H-13C HSQC' yes 2 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 1 3 '2D 1H-13C HSQC (ct)' yes 3 . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 1 4 '3D 1H-15N NOESY' yes 4 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 1 5 '3D 1H-13C NOESY (aliph)' yes 5 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 1 6 '3D HNCO' yes 6 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 7 '3D HNCA' yes 7 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 8 '3D HNCACB' yes 8 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 9 '3D CBCA(CO)NH' yes 9 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 10 '3D HN(CO)CA' yes 10 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 11 '3D HBHA(CO)NH' yes 11 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 12 '3D H(CCO)NH' yes 12 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 13 '3D C(CO)NH' yes 13 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 14 '3D HCCH-TOCSY' yes 14 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 15 '3D HCCH-COSY' yes 15 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 1 16 '3D (H)CCH-TOCSY' yes 16 . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 17 '4D CC NOESY' yes 17 . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16298 1 18 '2D 1H-13C HSQC (no ct)' yes 18 . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 1 19 '3D 1H-13C NOESY (arom)' yes 19 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16298 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 16298 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16298 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16298 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16298 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 16298 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16298 1 2 '2D 1H-13C HSQC' . . . 16298 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 7 $SPARKY . . 16298 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR H H 1 8.96 0.02 . 1 . . . . 64 THR H . 16298 1 2 . 1 1 1 1 THR HA H 1 3.51 0.02 . 1 . . . . 64 THR HA . 16298 1 3 . 1 1 1 1 THR HB H 1 4.55 0.02 . 1 . . . . 64 THR HB . 16298 1 4 . 1 1 1 1 THR HG21 H 1 1.33 0.02 . 1 . . . . 64 THR HG2 . 16298 1 5 . 1 1 1 1 THR HG22 H 1 1.33 0.02 . 1 . . . . 64 THR HG2 . 16298 1 6 . 1 1 1 1 THR HG23 H 1 1.33 0.02 . 1 . . . . 64 THR HG2 . 16298 1 7 . 1 1 1 1 THR CA C 13 63.6 0.2 . 1 . . . . 64 THR CA . 16298 1 8 . 1 1 1 1 THR CB C 13 71.2 0.2 . 1 . . . . 64 THR CB . 16298 1 9 . 1 1 1 1 THR CG2 C 13 21.5 0.2 . 1 . . . . 64 THR CG2 . 16298 1 10 . 1 1 1 1 THR N N 15 122.9 0.2 . 1 . . . . 64 THR N . 16298 1 11 . 1 1 2 2 PHE HA H 1 3.70 0.02 . 1 . . . . 65 PHE HA . 16298 1 12 . 1 1 2 2 PHE HB2 H 1 3.16 0.02 . 2 . . . . 65 PHE HB2 . 16298 1 13 . 1 1 2 2 PHE HB3 H 1 2.88 0.02 . 2 . . . . 65 PHE HB3 . 16298 1 14 . 1 1 2 2 PHE HD1 H 1 6.75 0.02 . 3 . . . . 65 PHE HD1 . 16298 1 15 . 1 1 2 2 PHE HD2 H 1 6.75 0.02 . 3 . . . . 65 PHE HD2 . 16298 1 16 . 1 1 2 2 PHE HE1 H 1 6.61 0.02 . 3 . . . . 65 PHE HE1 . 16298 1 17 . 1 1 2 2 PHE HE2 H 1 6.61 0.02 . 3 . . . . 65 PHE HE2 . 16298 1 18 . 1 1 2 2 PHE HZ H 1 6.33 0.02 . 1 . . . . 65 PHE HZ . 16298 1 19 . 1 1 2 2 PHE C C 13 175.9 0.2 . 1 . . . . 65 PHE C . 16298 1 20 . 1 1 2 2 PHE CA C 13 63.7 0.2 . 1 . . . . 65 PHE CA . 16298 1 21 . 1 1 2 2 PHE CB C 13 39.1 0.2 . 1 . . . . 65 PHE CB . 16298 1 22 . 1 1 2 2 PHE CD1 C 13 131.4 0.02 . 3 . . . . 65 PHE CD1 . 16298 1 23 . 1 1 2 2 PHE CD2 C 13 131.4 0.02 . 3 . . . . 65 PHE CD2 . 16298 1 24 . 1 1 2 2 PHE CE1 C 13 131.1 0.02 . 3 . . . . 65 PHE CE1 . 16298 1 25 . 1 1 2 2 PHE CE2 C 13 131.1 0.02 . 3 . . . . 65 PHE CE2 . 16298 1 26 . 1 1 2 2 PHE CZ C 13 128.8 0.2 . 1 . . . . 65 PHE CZ . 16298 1 27 . 1 1 3 3 LYS H H 1 8.44 0.02 . 1 . . . . 66 LYS H . 16298 1 28 . 1 1 3 3 LYS HA H 1 3.73 0.02 . 1 . . . . 66 LYS HA . 16298 1 29 . 1 1 3 3 LYS HB2 H 1 1.92 0.02 . 2 . . . . 66 LYS HB2 . 16298 1 30 . 1 1 3 3 LYS HB3 H 1 1.73 0.02 . 2 . . . . 66 LYS HB3 . 16298 1 31 . 1 1 3 3 LYS HD2 H 1 1.66 0.02 . 2 . . . . 66 LYS HD2 . 16298 1 32 . 1 1 3 3 LYS HD3 H 1 1.66 0.02 . 2 . . . . 66 LYS HD3 . 16298 1 33 . 1 1 3 3 LYS HE2 H 1 3.14 0.02 . 2 . . . . 66 LYS HE2 . 16298 1 34 . 1 1 3 3 LYS HE3 H 1 2.91 0.02 . 2 . . . . 66 LYS HE3 . 16298 1 35 . 1 1 3 3 LYS HG2 H 1 1.41 0.02 . 2 . . . . 66 LYS HG2 . 16298 1 36 . 1 1 3 3 LYS HG3 H 1 1.34 0.02 . 2 . . . . 66 LYS HG3 . 16298 1 37 . 1 1 3 3 LYS C C 13 176.5 0.2 . 1 . . . . 66 LYS C . 16298 1 38 . 1 1 3 3 LYS CA C 13 60.1 0.2 . 1 . . . . 66 LYS CA . 16298 1 39 . 1 1 3 3 LYS CB C 13 32.7 0.2 . 1 . . . . 66 LYS CB . 16298 1 40 . 1 1 3 3 LYS CD C 13 29.1 0.2 . 1 . . . . 66 LYS CD . 16298 1 41 . 1 1 3 3 LYS CE C 13 42.1 0.2 . 1 . . . . 66 LYS CE . 16298 1 42 . 1 1 3 3 LYS CG C 13 25.4 0.2 . 1 . . . . 66 LYS CG . 16298 1 43 . 1 1 3 3 LYS N N 15 116.2 0.2 . 1 . . . . 66 LYS N . 16298 1 44 . 1 1 4 4 GLN H H 1 7.54 0.02 . 1 . . . . 67 GLN H . 16298 1 45 . 1 1 4 4 GLN HA H 1 4 0.02 . 1 . . . . 67 GLN HA . 16298 1 46 . 1 1 4 4 GLN HB2 H 1 2.16 0.02 . 2 . . . . 67 GLN HB2 . 16298 1 47 . 1 1 4 4 GLN HB3 H 1 2.16 0.02 . 2 . . . . 67 GLN HB3 . 16298 1 48 . 1 1 4 4 GLN HE21 H 1 7.79 0.02 . 1 . . . . 67 GLN HE21 . 16298 1 49 . 1 1 4 4 GLN HE22 H 1 6.94 0.02 . 1 . . . . 67 GLN HE22 . 16298 1 50 . 1 1 4 4 GLN HG2 H 1 2.41 0.02 . 2 . . . . 67 GLN HG2 . 16298 1 51 . 1 1 4 4 GLN HG3 H 1 2.38 0.02 . 2 . . . . 67 GLN HG3 . 16298 1 52 . 1 1 4 4 GLN C C 13 178 0.2 . 1 . . . . 67 GLN C . 16298 1 53 . 1 1 4 4 GLN CA C 13 58.7 0.2 . 1 . . . . 67 GLN CA . 16298 1 54 . 1 1 4 4 GLN CB C 13 28.9 0.2 . 1 . . . . 67 GLN CB . 16298 1 55 . 1 1 4 4 GLN CD C 13 180.6 0.2 . 1 . . . . 67 GLN CD . 16298 1 56 . 1 1 4 4 GLN CG C 13 34.2 0.2 . 1 . . . . 67 GLN CG . 16298 1 57 . 1 1 4 4 GLN N N 15 117.5 0.2 . 1 . . . . 67 GLN N . 16298 1 58 . 1 1 4 4 GLN NE2 N 15 115.1 0.2 . 1 . . . . 67 GLN NE2 . 16298 1 59 . 1 1 5 5 VAL H H 1 7.73 0.02 . 1 . . . . 68 VAL H . 16298 1 60 . 1 1 5 5 VAL HA H 1 3.81 0.02 . 1 . . . . 68 VAL HA . 16298 1 61 . 1 1 5 5 VAL HB H 1 1.72 0.02 . 1 . . . . 68 VAL HB . 16298 1 62 . 1 1 5 5 VAL HG11 H 1 0.87 0.02 . 2 . . . . 68 VAL HG1 . 16298 1 63 . 1 1 5 5 VAL HG12 H 1 0.87 0.02 . 2 . . . . 68 VAL HG1 . 16298 1 64 . 1 1 5 5 VAL HG13 H 1 0.87 0.02 . 2 . . . . 68 VAL HG1 . 16298 1 65 . 1 1 5 5 VAL HG21 H 1 1.04 0.02 . 2 . . . . 68 VAL HG2 . 16298 1 66 . 1 1 5 5 VAL HG22 H 1 1.04 0.02 . 2 . . . . 68 VAL HG2 . 16298 1 67 . 1 1 5 5 VAL HG23 H 1 1.04 0.02 . 2 . . . . 68 VAL HG2 . 16298 1 68 . 1 1 5 5 VAL C C 13 177.6 0.2 . 1 . . . . 68 VAL C . 16298 1 69 . 1 1 5 5 VAL CA C 13 65.9 0.2 . 1 . . . . 68 VAL CA . 16298 1 70 . 1 1 5 5 VAL CB C 13 31.2 0.2 . 1 . . . . 68 VAL CB . 16298 1 71 . 1 1 5 5 VAL CG1 C 13 21.9 0.02 . 2 . . . . 68 VAL CG1 . 16298 1 72 . 1 1 5 5 VAL CG2 C 13 22.9 0.02 . 2 . . . . 68 VAL CG2 . 16298 1 73 . 1 1 5 5 VAL N N 15 119.9 0.2 . 1 . . . . 68 VAL N . 16298 1 74 . 1 1 6 6 ALA H H 1 8.39 0.02 . 1 . . . . 69 ALA H . 16298 1 75 . 1 1 6 6 ALA HA H 1 3.77 0.02 . 1 . . . . 69 ALA HA . 16298 1 76 . 1 1 6 6 ALA HB1 H 1 1.14 0.02 . 1 . . . . 69 ALA HB . 16298 1 77 . 1 1 6 6 ALA HB2 H 1 1.14 0.02 . 1 . . . . 69 ALA HB . 16298 1 78 . 1 1 6 6 ALA HB3 H 1 1.14 0.02 . 1 . . . . 69 ALA HB . 16298 1 79 . 1 1 6 6 ALA C C 13 179 0.2 . 1 . . . . 69 ALA C . 16298 1 80 . 1 1 6 6 ALA CA C 13 55.5 0.2 . 1 . . . . 69 ALA CA . 16298 1 81 . 1 1 6 6 ALA CB C 13 18.4 0.2 . 1 . . . . 69 ALA CB . 16298 1 82 . 1 1 6 6 ALA N N 15 121.4 0.2 . 1 . . . . 69 ALA N . 16298 1 83 . 1 1 7 7 ASP H H 1 8.29 0.02 . 1 . . . . 70 ASP H . 16298 1 84 . 1 1 7 7 ASP HA H 1 4.33 0.02 . 1 . . . . 70 ASP HA . 16298 1 85 . 1 1 7 7 ASP HB2 H 1 2.78 0.02 . 2 . . . . 70 ASP HB2 . 16298 1 86 . 1 1 7 7 ASP HB3 H 1 2.58 0.02 . 2 . . . . 70 ASP HB3 . 16298 1 87 . 1 1 7 7 ASP C C 13 176.7 0.2 . 1 . . . . 70 ASP C . 16298 1 88 . 1 1 7 7 ASP CA C 13 57.3 0.2 . 1 . . . . 70 ASP CA . 16298 1 89 . 1 1 7 7 ASP CB C 13 40 0.2 . 1 . . . . 70 ASP CB . 16298 1 90 . 1 1 7 7 ASP N N 15 118.4 0.2 . 1 . . . . 70 ASP N . 16298 1 91 . 1 1 8 8 ASP H H 1 8.3 0.02 . 1 . . . . 71 ASP H . 16298 1 92 . 1 1 8 8 ASP HA H 1 4.32 0.02 . 1 . . . . 71 ASP HA . 16298 1 93 . 1 1 8 8 ASP HB2 H 1 3 0.02 . 2 . . . . 71 ASP HB2 . 16298 1 94 . 1 1 8 8 ASP HB3 H 1 2.8 0.02 . 2 . . . . 71 ASP HB3 . 16298 1 95 . 1 1 8 8 ASP C C 13 179 0.2 . 1 . . . . 71 ASP C . 16298 1 96 . 1 1 8 8 ASP CA C 13 57.4 0.2 . 1 . . . . 71 ASP CA . 16298 1 97 . 1 1 8 8 ASP CB C 13 40 0.2 . 1 . . . . 71 ASP CB . 16298 1 98 . 1 1 8 8 ASP N N 15 122.4 0.2 . 1 . . . . 71 ASP N . 16298 1 99 . 1 1 9 9 TRP H H 1 8.9 0.02 . 1 . . . . 72 TRP H . 16298 1 100 . 1 1 9 9 TRP HA H 1 3.05 0.02 . 1 . . . . 72 TRP HA . 16298 1 101 . 1 1 9 9 TRP HB2 H 1 3.30 0.02 . 2 . . . . 72 TRP HB2 . 16298 1 102 . 1 1 9 9 TRP HB3 H 1 2.65 0.02 . 2 . . . . 72 TRP HB3 . 16298 1 103 . 1 1 9 9 TRP HD1 H 1 6.68 0.02 . 1 . . . . 72 TRP HD1 . 16298 1 104 . 1 1 9 9 TRP HE1 H 1 9.96 0.02 . 1 . . . . 72 TRP HE1 . 16298 1 105 . 1 1 9 9 TRP HE3 H 1 7.29 0.02 . 1 . . . . 72 TRP HE3 . 16298 1 106 . 1 1 9 9 TRP HH2 H 1 6.38 0.02 . 1 . . . . 72 TRP HH2 . 16298 1 107 . 1 1 9 9 TRP HZ2 H 1 6.84 0.02 . 1 . . . . 72 TRP HZ2 . 16298 1 108 . 1 1 9 9 TRP HZ3 H 1 6.65 0.02 . 1 . . . . 72 TRP HZ3 . 16298 1 109 . 1 1 9 9 TRP C C 13 177.5 0.2 . 1 . . . . 72 TRP C . 16298 1 110 . 1 1 9 9 TRP CA C 13 61.9 0.2 . 1 . . . . 72 TRP CA . 16298 1 111 . 1 1 9 9 TRP CB C 13 27.5 0.2 . 1 . . . . 72 TRP CB . 16298 1 112 . 1 1 9 9 TRP CD1 C 13 126.4 0.2 . 1 . . . . 72 TRP CD1 . 16298 1 113 . 1 1 9 9 TRP CH2 C 13 122.4 0.2 . 1 . . . . 72 TRP CH2 . 16298 1 114 . 1 1 9 9 TRP CZ2 C 13 115 0.2 . 1 . . . . 72 TRP CZ2 . 16298 1 115 . 1 1 9 9 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 72 TRP CZ3 . 16298 1 116 . 1 1 9 9 TRP N N 15 122.9 0.2 . 1 . . . . 72 TRP N . 16298 1 117 . 1 1 9 9 TRP NE1 N 15 129.0 0.2 . 1 . . . . 72 TRP NE1 . 16298 1 118 . 1 1 10 10 LEU H H 1 8.33 0.02 . 1 . . . . 73 LEU H . 16298 1 119 . 1 1 10 10 LEU HA H 1 3 0.02 . 1 . . . . 73 LEU HA . 16298 1 120 . 1 1 10 10 LEU HB2 H 1 1.67 0.02 . 2 . . . . 73 LEU HB2 . 16298 1 121 . 1 1 10 10 LEU HB3 H 1 1.67 0.02 . 2 . . . . 73 LEU HB3 . 16298 1 122 . 1 1 10 10 LEU HD11 H 1 0.81 0.02 . 1 . . . . 73 LEU HD1 . 16298 1 123 . 1 1 10 10 LEU HD12 H 1 0.81 0.02 . 1 . . . . 73 LEU HD1 . 16298 1 124 . 1 1 10 10 LEU HD13 H 1 0.81 0.02 . 1 . . . . 73 LEU HD1 . 16298 1 125 . 1 1 10 10 LEU HD21 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 16298 1 126 . 1 1 10 10 LEU HD22 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 16298 1 127 . 1 1 10 10 LEU HD23 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 16298 1 128 . 1 1 10 10 LEU HG H 1 1.58 0.02 . 1 . . . . 73 LEU HG . 16298 1 129 . 1 1 10 10 LEU C C 13 179 0.2 . 1 . . . . 73 LEU C . 16298 1 130 . 1 1 10 10 LEU CA C 13 57.4 0.2 . 1 . . . . 73 LEU CA . 16298 1 131 . 1 1 10 10 LEU CB C 13 41.8 0.2 . 1 . . . . 73 LEU CB . 16298 1 132 . 1 1 10 10 LEU CD1 C 13 24.4 0.02 . 1 . . . . 73 LEU CD1 . 16298 1 133 . 1 1 10 10 LEU CD2 C 13 25.4 0.02 . 1 . . . . 73 LEU CD2 . 16298 1 134 . 1 1 10 10 LEU CG C 13 27.1 0.2 . 1 . . . . 73 LEU CG . 16298 1 135 . 1 1 10 10 LEU N N 15 120.2 0.2 . 1 . . . . 73 LEU N . 16298 1 136 . 1 1 11 11 LYS H H 1 7.61 0.02 . 1 . . . . 74 LYS H . 16298 1 137 . 1 1 11 11 LYS HA H 1 3.84 0.02 . 1 . . . . 74 LYS HA . 16298 1 138 . 1 1 11 11 LYS HB2 H 1 1.98 0.02 . 2 . . . . 74 LYS HB2 . 16298 1 139 . 1 1 11 11 LYS HB3 H 1 1.82 0.02 . 2 . . . . 74 LYS HB3 . 16298 1 140 . 1 1 11 11 LYS HD2 H 1 1.64 0.02 . 2 . . . . 74 LYS HD2 . 16298 1 141 . 1 1 11 11 LYS HD3 H 1 1.64 0.02 . 2 . . . . 74 LYS HD3 . 16298 1 142 . 1 1 11 11 LYS HE2 H 1 2.92 0.02 . 2 . . . . 74 LYS HE2 . 16298 1 143 . 1 1 11 11 LYS HE3 H 1 2.92 0.02 . 2 . . . . 74 LYS HE3 . 16298 1 144 . 1 1 11 11 LYS HG2 H 1 1.52 0.02 . 2 . . . . 74 LYS HG2 . 16298 1 145 . 1 1 11 11 LYS HG3 H 1 1.37 0.02 . 2 . . . . 74 LYS HG3 . 16298 1 146 . 1 1 11 11 LYS C C 13 178.5 0.2 . 1 . . . . 74 LYS C . 16298 1 147 . 1 1 11 11 LYS CA C 13 59.1 0.2 . 1 . . . . 74 LYS CA . 16298 1 148 . 1 1 11 11 LYS CB C 13 32.7 0.2 . 1 . . . . 74 LYS CB . 16298 1 149 . 1 1 11 11 LYS CD C 13 29.3 0.2 . 1 . . . . 74 LYS CD . 16298 1 150 . 1 1 11 11 LYS CE C 13 41.9 0.2 . 1 . . . . 74 LYS CE . 16298 1 151 . 1 1 11 11 LYS CG C 13 25.1 0.2 . 1 . . . . 74 LYS CG . 16298 1 152 . 1 1 11 11 LYS N N 15 117.4 0.2 . 1 . . . . 74 LYS N . 16298 1 153 . 1 1 12 12 GLN H H 1 7.27 0.02 . 1 . . . . 75 GLN H . 16298 1 154 . 1 1 12 12 GLN HA H 1 4.04 0.02 . 1 . . . . 75 GLN HA . 16298 1 155 . 1 1 12 12 GLN HB2 H 1 1.97 0.02 . 2 . . . . 75 GLN HB2 . 16298 1 156 . 1 1 12 12 GLN HB3 H 1 1.89 0.02 . 2 . . . . 75 GLN HB3 . 16298 1 157 . 1 1 12 12 GLN HE21 H 1 7.30 0.02 . 1 . . . . 75 GLN HE21 . 16298 1 158 . 1 1 12 12 GLN HE22 H 1 6.94 0.02 . 1 . . . . 75 GLN HE22 . 16298 1 159 . 1 1 12 12 GLN HG2 H 1 2.3 0.02 . 2 . . . . 75 GLN HG2 . 16298 1 160 . 1 1 12 12 GLN HG3 H 1 2.18 0.02 . 2 . . . . 75 GLN HG3 . 16298 1 161 . 1 1 12 12 GLN C C 13 177.5 0.2 . 1 . . . . 75 GLN C . 16298 1 162 . 1 1 12 12 GLN CA C 13 57.4 0.2 . 1 . . . . 75 GLN CA . 16298 1 163 . 1 1 12 12 GLN CB C 13 28.4 0.2 . 1 . . . . 75 GLN CB . 16298 1 164 . 1 1 12 12 GLN CD C 13 180.4 0.2 . 1 . . . . 75 GLN CD . 16298 1 165 . 1 1 12 12 GLN CG C 13 33.5 0.2 . 1 . . . . 75 GLN CG . 16298 1 166 . 1 1 12 12 GLN N N 15 116.7 0.2 . 1 . . . . 75 GLN N . 16298 1 167 . 1 1 12 12 GLN NE2 N 15 113.5 0.2 . 1 . . . . 75 GLN NE2 . 16298 1 168 . 1 1 13 13 TYR H H 1 8.17 0.02 . 1 . . . . 76 TYR H . 16298 1 169 . 1 1 13 13 TYR HA H 1 4.01 0.02 . 1 . . . . 76 TYR HA . 16298 1 170 . 1 1 13 13 TYR HB2 H 1 2.28 0.02 . 2 . . . . 76 TYR HB2 . 16298 1 171 . 1 1 13 13 TYR HB3 H 1 1.9 0.02 . 2 . . . . 76 TYR HB3 . 16298 1 172 . 1 1 13 13 TYR HD1 H 1 6.75 0.02 . 3 . . . . 76 TYR HD1 . 16298 1 173 . 1 1 13 13 TYR HD2 H 1 6.75 0.02 . 3 . . . . 76 TYR HD2 . 16298 1 174 . 1 1 13 13 TYR HE1 H 1 6.56 0.02 . 3 . . . . 76 TYR HE1 . 16298 1 175 . 1 1 13 13 TYR HE2 H 1 6.56 0.02 . 3 . . . . 76 TYR HE2 . 16298 1 176 . 1 1 13 13 TYR C C 13 176.4 0.2 . 1 . . . . 76 TYR C . 16298 1 177 . 1 1 13 13 TYR CA C 13 59.2 0.2 . 1 . . . . 76 TYR CA . 16298 1 178 . 1 1 13 13 TYR CB C 13 38.4 0.2 . 1 . . . . 76 TYR CB . 16298 1 179 . 1 1 13 13 TYR CD1 C 13 132.8 0.02 . 3 . . . . 76 TYR CD1 . 16298 1 180 . 1 1 13 13 TYR CD2 C 13 132.8 0.02 . 3 . . . . 76 TYR CD2 . 16298 1 181 . 1 1 13 13 TYR CE1 C 13 118.2 0.02 . 3 . . . . 76 TYR CE1 . 16298 1 182 . 1 1 13 13 TYR CE2 C 13 118.2 0.02 . 3 . . . . 76 TYR CE2 . 16298 1 183 . 1 1 13 13 TYR N N 15 122.5 0.2 . 1 . . . . 76 TYR N . 16298 1 184 . 1 1 14 14 ALA H H 1 7.58 0.02 . 1 . . . . 77 ALA H . 16298 1 185 . 1 1 14 14 ALA HA H 1 3.82 0.02 . 1 . . . . 77 ALA HA . 16298 1 186 . 1 1 14 14 ALA HB1 H 1 1.33 0.02 . 1 . . . . 77 ALA HB . 16298 1 187 . 1 1 14 14 ALA HB2 H 1 1.33 0.02 . 1 . . . . 77 ALA HB . 16298 1 188 . 1 1 14 14 ALA HB3 H 1 1.33 0.02 . 1 . . . . 77 ALA HB . 16298 1 189 . 1 1 14 14 ALA C C 13 177.8 0.2 . 1 . . . . 77 ALA C . 16298 1 190 . 1 1 14 14 ALA CA C 13 53.3 0.2 . 1 . . . . 77 ALA CA . 16298 1 191 . 1 1 14 14 ALA CB C 13 19.0 0.2 . 1 . . . . 77 ALA CB . 16298 1 192 . 1 1 14 14 ALA N N 15 118 0.2 . 1 . . . . 77 ALA N . 16298 1 193 . 1 1 15 15 ASN H H 1 7.47 0.02 . 1 . . . . 78 ASN H . 16298 1 194 . 1 1 15 15 ASN HA H 1 4.49 0.02 . 1 . . . . 78 ASN HA . 16298 1 195 . 1 1 15 15 ASN HB2 H 1 2.76 0.02 . 2 . . . . 78 ASN HB2 . 16298 1 196 . 1 1 15 15 ASN HB3 H 1 2.7 0.02 . 2 . . . . 78 ASN HB3 . 16298 1 197 . 1 1 15 15 ASN HD21 H 1 7.57 0.02 . 1 . . . . 78 ASN HD21 . 16298 1 198 . 1 1 15 15 ASN HD22 H 1 6.89 0.02 . 1 . . . . 78 ASN HD22 . 16298 1 199 . 1 1 15 15 ASN C C 13 175.5 0.2 . 1 . . . . 78 ASN C . 16298 1 200 . 1 1 15 15 ASN CA C 13 54.5 0.2 . 1 . . . . 78 ASN CA . 16298 1 201 . 1 1 15 15 ASN CB C 13 38.9 0.2 . 1 . . . . 78 ASN CB . 16298 1 202 . 1 1 15 15 ASN CG C 13 176.7 0.2 . 1 . . . . 78 ASN CG . 16298 1 203 . 1 1 15 15 ASN N N 15 114.3 0.2 . 1 . . . . 78 ASN N . 16298 1 204 . 1 1 15 15 ASN ND2 N 15 113.6 0.2 . 1 . . . . 78 ASN ND2 . 16298 1 205 . 1 1 16 16 ASP H H 1 7.64 0.02 . 1 . . . . 79 ASP H . 16298 1 206 . 1 1 16 16 ASP HA H 1 4.66 0.02 . 1 . . . . 79 ASP HA . 16298 1 207 . 1 1 16 16 ASP HB2 H 1 2.72 0.02 . 2 . . . . 79 ASP HB2 . 16298 1 208 . 1 1 16 16 ASP HB3 H 1 2.57 0.02 . 2 . . . . 79 ASP HB3 . 16298 1 209 . 1 1 16 16 ASP C C 13 175.9 0.2 . 1 . . . . 79 ASP C . 16298 1 210 . 1 1 16 16 ASP CA C 13 54.7 0.2 . 1 . . . . 79 ASP CA . 16298 1 211 . 1 1 16 16 ASP CB C 13 42.1 0.2 . 1 . . . . 79 ASP CB . 16298 1 212 . 1 1 16 16 ASP N N 15 118.1 0.2 . 1 . . . . 79 ASP N . 16298 1 213 . 1 1 17 17 VAL H H 1 7.38 0.02 . 1 . . . . 80 VAL H . 16298 1 214 . 1 1 17 17 VAL HA H 1 4.31 0.02 . 1 . . . . 80 VAL HA . 16298 1 215 . 1 1 17 17 VAL HB H 1 1.99 0.02 . 1 . . . . 80 VAL HB . 16298 1 216 . 1 1 17 17 VAL HG11 H 1 0.78 0.02 . 1 . . . . 80 VAL HG1 . 16298 1 217 . 1 1 17 17 VAL HG12 H 1 0.78 0.02 . 1 . . . . 80 VAL HG1 . 16298 1 218 . 1 1 17 17 VAL HG13 H 1 0.78 0.02 . 1 . . . . 80 VAL HG1 . 16298 1 219 . 1 1 17 17 VAL HG21 H 1 0.53 0.02 . 1 . . . . 80 VAL HG2 . 16298 1 220 . 1 1 17 17 VAL HG22 H 1 0.53 0.02 . 1 . . . . 80 VAL HG2 . 16298 1 221 . 1 1 17 17 VAL HG23 H 1 0.53 0.02 . 1 . . . . 80 VAL HG2 . 16298 1 222 . 1 1 17 17 VAL C C 13 175.7 0.2 . 1 . . . . 80 VAL C . 16298 1 223 . 1 1 17 17 VAL CA C 13 61.0 0.2 . 1 . . . . 80 VAL CA . 16298 1 224 . 1 1 17 17 VAL CB C 13 33.8 0.2 . 1 . . . . 80 VAL CB . 16298 1 225 . 1 1 17 17 VAL CG1 C 13 21.2 0.02 . 1 . . . . 80 VAL CG1 . 16298 1 226 . 1 1 17 17 VAL CG2 C 13 19.5 0.02 . 1 . . . . 80 VAL CG2 . 16298 1 227 . 1 1 17 17 VAL N N 15 116 0.2 . 1 . . . . 80 VAL N . 16298 1 228 . 1 1 18 18 LYS H H 1 8.2 0.02 . 1 . . . . 81 LYS H . 16298 1 229 . 1 1 18 18 LYS HA H 1 4.33 0.02 . 1 . . . . 81 LYS HA . 16298 1 230 . 1 1 18 18 LYS HB2 H 1 1.96 0.02 . 2 . . . . 81 LYS HB2 . 16298 1 231 . 1 1 18 18 LYS HB3 H 1 1.88 0.02 . 2 . . . . 81 LYS HB3 . 16298 1 232 . 1 1 18 18 LYS HD2 H 1 1.69 0.02 . 2 . . . . 81 LYS HD2 . 16298 1 233 . 1 1 18 18 LYS HD3 H 1 1.69 0.02 . 2 . . . . 81 LYS HD3 . 16298 1 234 . 1 1 18 18 LYS HE2 H 1 2.97 0.02 . 2 . . . . 81 LYS HE2 . 16298 1 235 . 1 1 18 18 LYS HE3 H 1 2.97 0.02 . 2 . . . . 81 LYS HE3 . 16298 1 236 . 1 1 18 18 LYS HG2 H 1 1.47 0.02 . 2 . . . . 81 LYS HG2 . 16298 1 237 . 1 1 18 18 LYS HG3 H 1 1.39 0.02 . 2 . . . . 81 LYS HG3 . 16298 1 238 . 1 1 18 18 LYS C C 13 177.9 0.2 . 1 . . . . 81 LYS C . 16298 1 239 . 1 1 18 18 LYS CA C 13 56.3 0.2 . 1 . . . . 81 LYS CA . 16298 1 240 . 1 1 18 18 LYS CB C 13 32.6 0.2 . 1 . . . . 81 LYS CB . 16298 1 241 . 1 1 18 18 LYS CD C 13 29.1 0.2 . 1 . . . . 81 LYS CD . 16298 1 242 . 1 1 18 18 LYS CE C 13 41.6 0.2 . 1 . . . . 81 LYS CE . 16298 1 243 . 1 1 18 18 LYS CG C 13 24.4 0.2 . 1 . . . . 81 LYS CG . 16298 1 244 . 1 1 18 18 LYS N N 15 121.4 0.2 . 1 . . . . 81 LYS N . 16298 1 245 . 1 1 19 19 VAL H H 1 8.31 0.02 . 1 . . . . 82 VAL H . 16298 1 246 . 1 1 19 19 VAL HA H 1 3.82 0.02 . 1 . . . . 82 VAL HA . 16298 1 247 . 1 1 19 19 VAL HB H 1 2.14 0.02 . 1 . . . . 82 VAL HB . 16298 1 248 . 1 1 19 19 VAL HG11 H 1 0.96 0.02 . 2 . . . . 82 VAL HG1 . 16298 1 249 . 1 1 19 19 VAL HG12 H 1 0.96 0.02 . 2 . . . . 82 VAL HG1 . 16298 1 250 . 1 1 19 19 VAL HG13 H 1 0.96 0.02 . 2 . . . . 82 VAL HG1 . 16298 1 251 . 1 1 19 19 VAL HG21 H 1 0.96 0.02 . 2 . . . . 82 VAL HG2 . 16298 1 252 . 1 1 19 19 VAL HG22 H 1 0.96 0.02 . 2 . . . . 82 VAL HG2 . 16298 1 253 . 1 1 19 19 VAL HG23 H 1 0.96 0.02 . 2 . . . . 82 VAL HG2 . 16298 1 254 . 1 1 19 19 VAL C C 13 177.1 0.2 . 1 . . . . 82 VAL C . 16298 1 255 . 1 1 19 19 VAL CA C 13 65.3 0.2 . 1 . . . . 82 VAL CA . 16298 1 256 . 1 1 19 19 VAL CB C 13 31.9 0.2 . 1 . . . . 82 VAL CB . 16298 1 257 . 1 1 19 19 VAL CG1 C 13 20.9 0.02 . 2 . . . . 82 VAL CG1 . 16298 1 258 . 1 1 19 19 VAL CG2 C 13 20.9 0.02 . 2 . . . . 82 VAL CG2 . 16298 1 259 . 1 1 19 19 VAL N N 15 121.8 0.2 . 1 . . . . 82 VAL N . 16298 1 260 . 1 1 20 20 SER H H 1 8.43 0.02 . 1 . . . . 83 SER H . 16298 1 261 . 1 1 20 20 SER HA H 1 4.2 0.02 . 1 . . . . 83 SER HA . 16298 1 262 . 1 1 20 20 SER HB2 H 1 3.93 0.02 . 2 . . . . 83 SER HB2 . 16298 1 263 . 1 1 20 20 SER HB3 H 1 3.93 0.02 . 2 . . . . 83 SER HB3 . 16298 1 264 . 1 1 20 20 SER HG H 1 5.66 0.02 . 1 . . . . 83 SER HG . 16298 1 265 . 1 1 20 20 SER C C 13 177.2 0.2 . 1 . . . . 83 SER C . 16298 1 266 . 1 1 20 20 SER CA C 13 60.7 0.2 . 1 . . . . 83 SER CA . 16298 1 267 . 1 1 20 20 SER CB C 13 62.3 0.2 . 1 . . . . 83 SER CB . 16298 1 268 . 1 1 20 20 SER N N 15 115.4 0.2 . 1 . . . . 83 SER N . 16298 1 269 . 1 1 21 21 SER H H 1 7.73 0.02 . 1 . . . . 84 SER H . 16298 1 270 . 1 1 21 21 SER HA H 1 4.51 0.02 . 1 . . . . 84 SER HA . 16298 1 271 . 1 1 21 21 SER HB2 H 1 4.07 0.02 . 2 . . . . 84 SER HB2 . 16298 1 272 . 1 1 21 21 SER HB3 H 1 4.07 0.02 . 2 . . . . 84 SER HB3 . 16298 1 273 . 1 1 21 21 SER HG H 1 5.53 0.02 . 1 . . . . 84 SER HG . 16298 1 274 . 1 1 21 21 SER C C 13 176 0.2 . 1 . . . . 84 SER C . 16298 1 275 . 1 1 21 21 SER CA C 13 60.5 0.2 . 1 . . . . 84 SER CA . 16298 1 276 . 1 1 21 21 SER CB C 13 62.8 0.2 . 1 . . . . 84 SER CB . 16298 1 277 . 1 1 21 21 SER N N 15 118.5 0.2 . 1 . . . . 84 SER N . 16298 1 278 . 1 1 22 22 VAL H H 1 7.83 0.02 . 1 . . . . 85 VAL H . 16298 1 279 . 1 1 22 22 VAL HA H 1 3.64 0.02 . 1 . . . . 85 VAL HA . 16298 1 280 . 1 1 22 22 VAL HB H 1 2.25 0.02 . 1 . . . . 85 VAL HB . 16298 1 281 . 1 1 22 22 VAL HG11 H 1 0.93 0.02 . 1 . . . . 85 VAL HG1 . 16298 1 282 . 1 1 22 22 VAL HG12 H 1 0.93 0.02 . 1 . . . . 85 VAL HG1 . 16298 1 283 . 1 1 22 22 VAL HG13 H 1 0.93 0.02 . 1 . . . . 85 VAL HG1 . 16298 1 284 . 1 1 22 22 VAL HG21 H 1 0.91 0.02 . 1 . . . . 85 VAL HG2 . 16298 1 285 . 1 1 22 22 VAL HG22 H 1 0.91 0.02 . 1 . . . . 85 VAL HG2 . 16298 1 286 . 1 1 22 22 VAL HG23 H 1 0.91 0.02 . 1 . . . . 85 VAL HG2 . 16298 1 287 . 1 1 22 22 VAL C C 13 177.7 0.2 . 1 . . . . 85 VAL C . 16298 1 288 . 1 1 22 22 VAL CA C 13 66.6 0.2 . 1 . . . . 85 VAL CA . 16298 1 289 . 1 1 22 22 VAL CB C 13 31.7 0.2 . 1 . . . . 85 VAL CB . 16298 1 290 . 1 1 22 22 VAL CG1 C 13 21.5 0.02 . 1 . . . . 85 VAL CG1 . 16298 1 291 . 1 1 22 22 VAL CG2 C 13 23.2 0.02 . 1 . . . . 85 VAL CG2 . 16298 1 292 . 1 1 22 22 VAL N N 15 123.4 0.2 . 1 . . . . 85 VAL N . 16298 1 293 . 1 1 23 23 ARG H H 1 8.37 0.02 . 1 . . . . 86 ARG H . 16298 1 294 . 1 1 23 23 ARG HA H 1 4.18 0.02 . 1 . . . . 86 ARG HA . 16298 1 295 . 1 1 23 23 ARG HB2 H 1 1.88 0.02 . 2 . . . . 86 ARG HB2 . 16298 1 296 . 1 1 23 23 ARG HB3 H 1 1.88 0.02 . 2 . . . . 86 ARG HB3 . 16298 1 297 . 1 1 23 23 ARG HD2 H 1 3.22 0.02 . 2 . . . . 86 ARG HD2 . 16298 1 298 . 1 1 23 23 ARG HD3 H 1 3.22 0.02 . 2 . . . . 86 ARG HD3 . 16298 1 299 . 1 1 23 23 ARG HG2 H 1 1.76 0.02 . 2 . . . . 86 ARG HG2 . 16298 1 300 . 1 1 23 23 ARG HG3 H 1 1.76 0.02 . 2 . . . . 86 ARG HG3 . 16298 1 301 . 1 1 23 23 ARG C C 13 179 0.2 . 1 . . . . 86 ARG C . 16298 1 302 . 1 1 23 23 ARG CA C 13 58.6 0.2 . 1 . . . . 86 ARG CA . 16298 1 303 . 1 1 23 23 ARG CB C 13 30.2 0.2 . 1 . . . . 86 ARG CB . 16298 1 304 . 1 1 23 23 ARG CD C 13 43.2 0.2 . 1 . . . . 86 ARG CD . 16298 1 305 . 1 1 23 23 ARG CG C 13 27.2 0.2 . 1 . . . . 86 ARG CG . 16298 1 306 . 1 1 23 23 ARG N N 15 118.4 0.2 . 1 . . . . 86 ARG N . 16298 1 307 . 1 1 24 24 ALA H H 1 7.74 0.02 . 1 . . . . 87 ALA H . 16298 1 308 . 1 1 24 24 ALA HA H 1 4.23 0.02 . 1 . . . . 87 ALA HA . 16298 1 309 . 1 1 24 24 ALA HB1 H 1 1.57 0.02 . 1 . . . . 87 ALA HB . 16298 1 310 . 1 1 24 24 ALA HB2 H 1 1.57 0.02 . 1 . . . . 87 ALA HB . 16298 1 311 . 1 1 24 24 ALA HB3 H 1 1.57 0.02 . 1 . . . . 87 ALA HB . 16298 1 312 . 1 1 24 24 ALA C C 13 181.1 0.2 . 1 . . . . 87 ALA C . 16298 1 313 . 1 1 24 24 ALA CA C 13 55.1 0.2 . 1 . . . . 87 ALA CA . 16298 1 314 . 1 1 24 24 ALA CB C 13 18.3 0.2 . 1 . . . . 87 ALA CB . 16298 1 315 . 1 1 24 24 ALA N N 15 120.7 0.2 . 1 . . . . 87 ALA N . 16298 1 316 . 1 1 25 25 ARG H H 1 7.98 0.02 . 1 . . . . 88 ARG H . 16298 1 317 . 1 1 25 25 ARG HA H 1 4.18 0.02 . 1 . . . . 88 ARG HA . 16298 1 318 . 1 1 25 25 ARG HB2 H 1 2.09 0.02 . 2 . . . . 88 ARG HB2 . 16298 1 319 . 1 1 25 25 ARG HB3 H 1 1.86 0.02 . 2 . . . . 88 ARG HB3 . 16298 1 320 . 1 1 25 25 ARG HD2 H 1 3.19 0.02 . 2 . . . . 88 ARG HD2 . 16298 1 321 . 1 1 25 25 ARG HD3 H 1 3 0.02 . 2 . . . . 88 ARG HD3 . 16298 1 322 . 1 1 25 25 ARG HG2 H 1 1.83 0.02 . 2 . . . . 88 ARG HG2 . 16298 1 323 . 1 1 25 25 ARG HG3 H 1 1.83 0.02 . 2 . . . . 88 ARG HG3 . 16298 1 324 . 1 1 25 25 ARG C C 13 177.8 0.2 . 1 . . . . 88 ARG C . 16298 1 325 . 1 1 25 25 ARG CA C 13 58.9 0.2 . 1 . . . . 88 ARG CA . 16298 1 326 . 1 1 25 25 ARG CB C 13 29.8 0.2 . 1 . . . . 88 ARG CB . 16298 1 327 . 1 1 25 25 ARG CD C 13 43.3 0.2 . 1 . . . . 88 ARG CD . 16298 1 328 . 1 1 25 25 ARG CG C 13 27.6 0.2 . 1 . . . . 88 ARG CG . 16298 1 329 . 1 1 25 25 ARG N N 15 118.7 0.2 . 1 . . . . 88 ARG N . 16298 1 330 . 1 1 26 26 GLU H H 1 8.73 0.02 . 1 . . . . 89 GLU H . 16298 1 331 . 1 1 26 26 GLU HA H 1 3.83 0.02 . 1 . . . . 89 GLU HA . 16298 1 332 . 1 1 26 26 GLU HB2 H 1 2.19 0.02 . 2 . . . . 89 GLU HB2 . 16298 1 333 . 1 1 26 26 GLU HB3 H 1 2.19 0.02 . 2 . . . . 89 GLU HB3 . 16298 1 334 . 1 1 26 26 GLU HG2 H 1 2.27 0.02 . 2 . . . . 89 GLU HG2 . 16298 1 335 . 1 1 26 26 GLU HG3 H 1 2.18 0.02 . 2 . . . . 89 GLU HG3 . 16298 1 336 . 1 1 26 26 GLU C C 13 178.8 0.2 . 1 . . . . 89 GLU C . 16298 1 337 . 1 1 26 26 GLU CA C 13 60 0.2 . 1 . . . . 89 GLU CA . 16298 1 338 . 1 1 26 26 GLU CB C 13 30.1 0.2 . 1 . . . . 89 GLU CB . 16298 1 339 . 1 1 26 26 GLU CG C 13 36.7 0.2 . 1 . . . . 89 GLU CG . 16298 1 340 . 1 1 26 26 GLU N N 15 119.3 0.2 . 1 . . . . 89 GLU N . 16298 1 341 . 1 1 27 27 LYS H H 1 7.8 0.02 . 1 . . . . 90 LYS H . 16298 1 342 . 1 1 27 27 LYS HA H 1 4.07 0.02 . 1 . . . . 90 LYS HA . 16298 1 343 . 1 1 27 27 LYS HB2 H 1 1.97 0.02 . 2 . . . . 90 LYS HB2 . 16298 1 344 . 1 1 27 27 LYS HB3 H 1 1.97 0.02 . 2 . . . . 90 LYS HB3 . 16298 1 345 . 1 1 27 27 LYS HD2 H 1 1.7 0.02 . 2 . . . . 90 LYS HD2 . 16298 1 346 . 1 1 27 27 LYS HD3 H 1 1.66 0.02 . 2 . . . . 90 LYS HD3 . 16298 1 347 . 1 1 27 27 LYS HE2 H 1 2.98 0.02 . 2 . . . . 90 LYS HE2 . 16298 1 348 . 1 1 27 27 LYS HE3 H 1 2.98 0.02 . 2 . . . . 90 LYS HE3 . 16298 1 349 . 1 1 27 27 LYS HG2 H 1 1.61 0.02 . 2 . . . . 90 LYS HG2 . 16298 1 350 . 1 1 27 27 LYS HG3 H 1 1.41 0.02 . 2 . . . . 90 LYS HG3 . 16298 1 351 . 1 1 27 27 LYS C C 13 178.9 0.2 . 1 . . . . 90 LYS C . 16298 1 352 . 1 1 27 27 LYS CA C 13 59.2 0.2 . 1 . . . . 90 LYS CA . 16298 1 353 . 1 1 27 27 LYS CB C 13 32.6 0.2 . 1 . . . . 90 LYS CB . 16298 1 354 . 1 1 27 27 LYS CD C 13 29.4 0.2 . 1 . . . . 90 LYS CD . 16298 1 355 . 1 1 27 27 LYS CE C 13 42.2 0.2 . 1 . . . . 90 LYS CE . 16298 1 356 . 1 1 27 27 LYS CG C 13 24.5 0.2 . 1 . . . . 90 LYS CG . 16298 1 357 . 1 1 27 27 LYS N N 15 117.7 0.2 . 1 . . . . 90 LYS N . 16298 1 358 . 1 1 28 28 ALA H H 1 7.61 0.02 . 1 . . . . 91 ALA H . 16298 1 359 . 1 1 28 28 ALA HA H 1 4.27 0.02 . 1 . . . . 91 ALA HA . 16298 1 360 . 1 1 28 28 ALA HB1 H 1 1.51 0.02 . 1 . . . . 91 ALA HB . 16298 1 361 . 1 1 28 28 ALA HB2 H 1 1.51 0.02 . 1 . . . . 91 ALA HB . 16298 1 362 . 1 1 28 28 ALA HB3 H 1 1.51 0.02 . 1 . . . . 91 ALA HB . 16298 1 363 . 1 1 28 28 ALA C C 13 180.1 0.2 . 1 . . . . 91 ALA C . 16298 1 364 . 1 1 28 28 ALA CA C 13 55.1 0.2 . 1 . . . . 91 ALA CA . 16298 1 365 . 1 1 28 28 ALA CB C 13 18.8 0.2 . 1 . . . . 91 ALA CB . 16298 1 366 . 1 1 28 28 ALA N N 15 120.5 0.2 . 1 . . . . 91 ALA N . 16298 1 367 . 1 1 29 29 ILE H H 1 8.18 0.02 . 1 . . . . 92 ILE H . 16298 1 368 . 1 1 29 29 ILE HA H 1 4.37 0.02 . 1 . . . . 92 ILE HA . 16298 1 369 . 1 1 29 29 ILE HB H 1 2.14 0.02 . 1 . . . . 92 ILE HB . 16298 1 370 . 1 1 29 29 ILE HD11 H 1 1.03 0.02 . 1 . . . . 92 ILE HD1 . 16298 1 371 . 1 1 29 29 ILE HD12 H 1 1.03 0.02 . 1 . . . . 92 ILE HD1 . 16298 1 372 . 1 1 29 29 ILE HD13 H 1 1.03 0.02 . 1 . . . . 92 ILE HD1 . 16298 1 373 . 1 1 29 29 ILE HG12 H 1 1.81 0.02 . 2 . . . . 92 ILE HG12 . 16298 1 374 . 1 1 29 29 ILE HG13 H 1 1.51 0.02 . 2 . . . . 92 ILE HG13 . 16298 1 375 . 1 1 29 29 ILE HG21 H 1 0.99 0.02 . 1 . . . . 92 ILE HG2 . 16298 1 376 . 1 1 29 29 ILE HG22 H 1 0.99 0.02 . 1 . . . . 92 ILE HG2 . 16298 1 377 . 1 1 29 29 ILE HG23 H 1 0.99 0.02 . 1 . . . . 92 ILE HG2 . 16298 1 378 . 1 1 29 29 ILE C C 13 177.5 0.2 . 1 . . . . 92 ILE C . 16298 1 379 . 1 1 29 29 ILE CA C 13 63.6 0.2 . 1 . . . . 92 ILE CA . 16298 1 380 . 1 1 29 29 ILE CB C 13 38.8 0.2 . 1 . . . . 92 ILE CB . 16298 1 381 . 1 1 29 29 ILE CD1 C 13 15.5 0.2 . 1 . . . . 92 ILE CD1 . 16298 1 382 . 1 1 29 29 ILE CG1 C 13 26.2 0.2 . 1 . . . . 92 ILE CG1 . 16298 1 383 . 1 1 29 29 ILE CG2 C 13 18.8 0.2 . 1 . . . . 92 ILE CG2 . 16298 1 384 . 1 1 29 29 ILE N N 15 108.7 0.2 . 1 . . . . 92 ILE N . 16298 1 385 . 1 1 30 30 GLN H H 1 7.7 0.02 . 1 . . . . 93 GLN H . 16298 1 386 . 1 1 30 30 GLN HA H 1 3.95 0.02 . 1 . . . . 93 GLN HA . 16298 1 387 . 1 1 30 30 GLN HB2 H 1 2.04 0.02 . 2 . . . . 93 GLN HB2 . 16298 1 388 . 1 1 30 30 GLN HB3 H 1 1.97 0.02 . 2 . . . . 93 GLN HB3 . 16298 1 389 . 1 1 30 30 GLN HE21 H 1 7.76 0.02 . 1 . . . . 93 GLN HE21 . 16298 1 390 . 1 1 30 30 GLN HE22 H 1 7.07 0.02 . 1 . . . . 93 GLN HE22 . 16298 1 391 . 1 1 30 30 GLN HG2 H 1 2.66 0.02 . 2 . . . . 93 GLN HG2 . 16298 1 392 . 1 1 30 30 GLN HG3 H 1 2.32 0.02 . 2 . . . . 93 GLN HG3 . 16298 1 393 . 1 1 30 30 GLN C C 13 177.8 0.2 . 1 . . . . 93 GLN C . 16298 1 394 . 1 1 30 30 GLN CA C 13 58.4 0.2 . 1 . . . . 93 GLN CA . 16298 1 395 . 1 1 30 30 GLN CB C 13 27.5 0.2 . 1 . . . . 93 GLN CB . 16298 1 396 . 1 1 30 30 GLN CD C 13 179.6 0.2 . 1 . . . . 93 GLN CD . 16298 1 397 . 1 1 30 30 GLN CG C 13 32.8 0.2 . 1 . . . . 93 GLN CG . 16298 1 398 . 1 1 30 30 GLN N N 15 121.2 0.2 . 1 . . . . 93 GLN N . 16298 1 399 . 1 1 30 30 GLN NE2 N 15 114.1 0.2 . 1 . . . . 93 GLN NE2 . 16298 1 400 . 1 1 31 31 HIS H H 1 7.07 0.02 . 1 . . . . 94 HIS H . 16298 1 401 . 1 1 31 31 HIS HA H 1 4.29 0.02 . 1 . . . . 94 HIS HA . 16298 1 402 . 1 1 31 31 HIS HB2 H 1 3.35 0.02 . 2 . . . . 94 HIS HB2 . 16298 1 403 . 1 1 31 31 HIS HB3 H 1 3.28 0.02 . 2 . . . . 94 HIS HB3 . 16298 1 404 . 1 1 31 31 HIS HE1 H 1 7.82 0.02 . 1 . . . . 94 HIS HE1 . 16298 1 405 . 1 1 31 31 HIS C C 13 177.9 0.2 . 1 . . . . 94 HIS C . 16298 1 406 . 1 1 31 31 HIS CA C 13 58.7 0.2 . 1 . . . . 94 HIS CA . 16298 1 407 . 1 1 31 31 HIS CB C 13 29.1 0.2 . 1 . . . . 94 HIS CB . 16298 1 408 . 1 1 31 31 HIS CE1 C 13 139.6 0.2 . 1 . . . . 94 HIS CE1 . 16298 1 409 . 1 1 31 31 HIS N N 15 114.8 0.2 . 1 . . . . 94 HIS N . 16298 1 410 . 1 1 32 32 ALA H H 1 8.17 0.02 . 1 . . . . 95 ALA H . 16298 1 411 . 1 1 32 32 ALA HA H 1 3.41 0.02 . 1 . . . . 95 ALA HA . 16298 1 412 . 1 1 32 32 ALA HB1 H 1 1.41 0.02 . 1 . . . . 95 ALA HB . 16298 1 413 . 1 1 32 32 ALA HB2 H 1 1.41 0.02 . 1 . . . . 95 ALA HB . 16298 1 414 . 1 1 32 32 ALA HB3 H 1 1.41 0.02 . 1 . . . . 95 ALA HB . 16298 1 415 . 1 1 32 32 ALA C C 13 178.5 0.2 . 1 . . . . 95 ALA C . 16298 1 416 . 1 1 32 32 ALA CA C 13 54.5 0.2 . 1 . . . . 95 ALA CA . 16298 1 417 . 1 1 32 32 ALA CB C 13 18.8 0.2 . 1 . . . . 95 ALA CB . 16298 1 418 . 1 1 32 32 ALA N N 15 122.5 0.2 . 1 . . . . 95 ALA N . 16298 1 419 . 1 1 33 33 ILE H H 1 8.34 0.02 . 1 . . . . 96 ILE H . 16298 1 420 . 1 1 33 33 ILE HA H 1 3.61 0.02 . 1 . . . . 96 ILE HA . 16298 1 421 . 1 1 33 33 ILE HB H 1 1.95 0.02 . 1 . . . . 96 ILE HB . 16298 1 422 . 1 1 33 33 ILE HD11 H 1 0.92 0.02 . 1 . . . . 96 ILE HD1 . 16298 1 423 . 1 1 33 33 ILE HD12 H 1 0.92 0.02 . 1 . . . . 96 ILE HD1 . 16298 1 424 . 1 1 33 33 ILE HD13 H 1 0.92 0.02 . 1 . . . . 96 ILE HD1 . 16298 1 425 . 1 1 33 33 ILE HG12 H 1 1.97 0.02 . 2 . . . . 96 ILE HG12 . 16298 1 426 . 1 1 33 33 ILE HG13 H 1 0.85 0.02 . 2 . . . . 96 ILE HG13 . 16298 1 427 . 1 1 33 33 ILE HG21 H 1 0.96 0.02 . 1 . . . . 96 ILE HG2 . 16298 1 428 . 1 1 33 33 ILE HG22 H 1 0.96 0.02 . 1 . . . . 96 ILE HG2 . 16298 1 429 . 1 1 33 33 ILE HG23 H 1 0.96 0.02 . 1 . . . . 96 ILE HG2 . 16298 1 430 . 1 1 33 33 ILE C C 13 178.1 0.2 . 1 . . . . 96 ILE C . 16298 1 431 . 1 1 33 33 ILE CA C 13 66.7 0.2 . 1 . . . . 96 ILE CA . 16298 1 432 . 1 1 33 33 ILE CB C 13 37.8 0.2 . 1 . . . . 96 ILE CB . 16298 1 433 . 1 1 33 33 ILE CD1 C 13 13.8 0.2 . 1 . . . . 96 ILE CD1 . 16298 1 434 . 1 1 33 33 ILE CG1 C 13 30.4 0.2 . 1 . . . . 96 ILE CG1 . 16298 1 435 . 1 1 33 33 ILE CG2 C 13 17.8 0.2 . 1 . . . . 96 ILE CG2 . 16298 1 436 . 1 1 33 33 ILE N N 15 119.7 0.2 . 1 . . . . 96 ILE N . 16298 1 437 . 1 1 34 34 GLU H H 1 8.22 0.02 . 1 . . . . 97 GLU H . 16298 1 438 . 1 1 34 34 GLU HA H 1 4.01 0.02 . 1 . . . . 97 GLU HA . 16298 1 439 . 1 1 34 34 GLU HB2 H 1 2.07 0.02 . 2 . . . . 97 GLU HB2 . 16298 1 440 . 1 1 34 34 GLU HB3 H 1 2.07 0.02 . 2 . . . . 97 GLU HB3 . 16298 1 441 . 1 1 34 34 GLU HG2 H 1 2.42 0.02 . 2 . . . . 97 GLU HG2 . 16298 1 442 . 1 1 34 34 GLU HG3 H 1 2.26 0.02 . 2 . . . . 97 GLU HG3 . 16298 1 443 . 1 1 34 34 GLU C C 13 178.3 0.2 . 1 . . . . 97 GLU C . 16298 1 444 . 1 1 34 34 GLU CA C 13 59.2 0.2 . 1 . . . . 97 GLU CA . 16298 1 445 . 1 1 34 34 GLU CB C 13 29.4 0.2 . 1 . . . . 97 GLU CB . 16298 1 446 . 1 1 34 34 GLU CG C 13 36.4 0.2 . 1 . . . . 97 GLU CG . 16298 1 447 . 1 1 34 34 GLU N N 15 118.2 0.2 . 1 . . . . 97 GLU N . 16298 1 448 . 1 1 35 35 ARG H H 1 7.17 0.02 . 1 . . . . 98 ARG H . 16298 1 449 . 1 1 35 35 ARG HA H 1 4 0.02 . 1 . . . . 98 ARG HA . 16298 1 450 . 1 1 35 35 ARG HB2 H 1 1.49 0.02 . 2 . . . . 98 ARG HB2 . 16298 1 451 . 1 1 35 35 ARG HB3 H 1 0.74 0.02 . 2 . . . . 98 ARG HB3 . 16298 1 452 . 1 1 35 35 ARG HD2 H 1 3.03 0.02 . 2 . . . . 98 ARG HD2 . 16298 1 453 . 1 1 35 35 ARG HD3 H 1 3.03 0.02 . 2 . . . . 98 ARG HD3 . 16298 1 454 . 1 1 35 35 ARG HG2 H 1 1.68 0.02 . 2 . . . . 98 ARG HG2 . 16298 1 455 . 1 1 35 35 ARG HG3 H 1 1.68 0.02 . 2 . . . . 98 ARG HG3 . 16298 1 456 . 1 1 35 35 ARG C C 13 177.3 0.2 . 1 . . . . 98 ARG C . 16298 1 457 . 1 1 35 35 ARG CA C 13 56.9 0.2 . 1 . . . . 98 ARG CA . 16298 1 458 . 1 1 35 35 ARG CB C 13 30.3 0.2 . 1 . . . . 98 ARG CB . 16298 1 459 . 1 1 35 35 ARG CD C 13 41.6 0.2 . 1 . . . . 98 ARG CD . 16298 1 460 . 1 1 35 35 ARG CG C 13 25.9 0.2 . 1 . . . . 98 ARG CG . 16298 1 461 . 1 1 35 35 ARG N N 15 117.3 0.2 . 1 . . . . 98 ARG N . 16298 1 462 . 1 1 36 36 PHE H H 1 8.12 0.02 . 1 . . . . 99 PHE H . 16298 1 463 . 1 1 36 36 PHE HA H 1 4.58 0.02 . 1 . . . . 99 PHE HA . 16298 1 464 . 1 1 36 36 PHE HB2 H 1 2.73 0.02 . 2 . . . . 99 PHE HB2 . 16298 1 465 . 1 1 36 36 PHE HB3 H 1 1.87 0.02 . 2 . . . . 99 PHE HB3 . 16298 1 466 . 1 1 36 36 PHE HD1 H 1 6.38 0.02 . 3 . . . . 99 PHE HD1 . 16298 1 467 . 1 1 36 36 PHE HD2 H 1 6.38 0.02 . 3 . . . . 99 PHE HD2 . 16298 1 468 . 1 1 36 36 PHE HE1 H 1 6.71 0.02 . 3 . . . . 99 PHE HE1 . 16298 1 469 . 1 1 36 36 PHE HE2 H 1 6.71 0.02 . 3 . . . . 99 PHE HE2 . 16298 1 470 . 1 1 36 36 PHE HZ H 1 6.84 0.02 . 1 . . . . 99 PHE HZ . 16298 1 471 . 1 1 36 36 PHE C C 13 175 0.2 . 1 . . . . 99 PHE C . 16298 1 472 . 1 1 36 36 PHE CA C 13 57.7 0.2 . 1 . . . . 99 PHE CA . 16298 1 473 . 1 1 36 36 PHE CB C 13 39.3 0.2 . 1 . . . . 99 PHE CB . 16298 1 474 . 1 1 36 36 PHE CD1 C 13 131.3 0.02 . 3 . . . . 99 PHE CD1 . 16298 1 475 . 1 1 36 36 PHE CD2 C 13 131.3 0.02 . 3 . . . . 99 PHE CD2 . 16298 1 476 . 1 1 36 36 PHE CE1 C 13 130.0 0.02 . 3 . . . . 99 PHE CE1 . 16298 1 477 . 1 1 36 36 PHE CE2 C 13 130.0 0.02 . 3 . . . . 99 PHE CE2 . 16298 1 478 . 1 1 36 36 PHE CZ C 13 128.2 0.2 . 1 . . . . 99 PHE CZ . 16298 1 479 . 1 1 36 36 PHE N N 15 114.9 0.2 . 1 . . . . 99 PHE N . 16298 1 480 . 1 1 37 37 ASN H H 1 8.05 0.02 . 1 . . . . 100 ASN H . 16298 1 481 . 1 1 37 37 ASN HA H 1 4.42 0.02 . 1 . . . . 100 ASN HA . 16298 1 482 . 1 1 37 37 ASN HB2 H 1 3.09 0.02 . 2 . . . . 100 ASN HB2 . 16298 1 483 . 1 1 37 37 ASN HB3 H 1 3.09 0.02 . 2 . . . . 100 ASN HB3 . 16298 1 484 . 1 1 37 37 ASN HD21 H 1 7.40 0.02 . 1 . . . . 100 ASN HD21 . 16298 1 485 . 1 1 37 37 ASN HD22 H 1 6.92 0.02 . 1 . . . . 100 ASN HD22 . 16298 1 486 . 1 1 37 37 ASN C C 13 178.4 0.2 . 1 . . . . 100 ASN C . 16298 1 487 . 1 1 37 37 ASN CA C 13 57.8 0.2 . 1 . . . . 100 ASN CA . 16298 1 488 . 1 1 37 37 ASN CB C 13 40 0.2 . 1 . . . . 100 ASN CB . 16298 1 489 . 1 1 37 37 ASN CG C 13 176.7 0.2 . 1 . . . . 100 ASN CG . 16298 1 490 . 1 1 37 37 ASN N N 15 115.7 0.2 . 1 . . . . 100 ASN N . 16298 1 491 . 1 1 37 37 ASN ND2 N 15 114.3 0.2 . 1 . . . . 100 ASN ND2 . 16298 1 492 . 1 1 38 38 THR H H 1 8.88 0.02 . 1 . . . . 101 THR H . 16298 1 493 . 1 1 38 38 THR HA H 1 4.28 0.02 . 1 . . . . 101 THR HA . 16298 1 494 . 1 1 38 38 THR HB H 1 4.70 0.02 . 1 . . . . 101 THR HB . 16298 1 495 . 1 1 38 38 THR HG21 H 1 1.29 0.02 . 1 . . . . 101 THR HG2 . 16298 1 496 . 1 1 38 38 THR HG22 H 1 1.29 0.02 . 1 . . . . 101 THR HG2 . 16298 1 497 . 1 1 38 38 THR HG23 H 1 1.29 0.02 . 1 . . . . 101 THR HG2 . 16298 1 498 . 1 1 38 38 THR C C 13 174.6 0.2 . 1 . . . . 101 THR C . 16298 1 499 . 1 1 38 38 THR CA C 13 61.9 0.2 . 1 . . . . 101 THR CA . 16298 1 500 . 1 1 38 38 THR CB C 13 68.9 0.2 . 1 . . . . 101 THR CB . 16298 1 501 . 1 1 38 38 THR CG2 C 13 22.0 0.2 . 1 . . . . 101 THR CG2 . 16298 1 502 . 1 1 38 38 THR N N 15 111.7 0.2 . 1 . . . . 101 THR N . 16298 1 503 . 1 1 39 39 LYS H H 1 8.82 0.02 . 1 . . . . 102 LYS H . 16298 1 504 . 1 1 39 39 LYS HA H 1 4.5 0.02 . 1 . . . . 102 LYS HA . 16298 1 505 . 1 1 39 39 LYS HB2 H 1 1.86 0.02 . 2 . . . . 102 LYS HB2 . 16298 1 506 . 1 1 39 39 LYS HB3 H 1 1.63 0.02 . 2 . . . . 102 LYS HB3 . 16298 1 507 . 1 1 39 39 LYS HD2 H 1 1.65 0.02 . 2 . . . . 102 LYS HD2 . 16298 1 508 . 1 1 39 39 LYS HD3 H 1 1.48 0.02 . 2 . . . . 102 LYS HD3 . 16298 1 509 . 1 1 39 39 LYS HE2 H 1 3.03 0.02 . 2 . . . . 102 LYS HE2 . 16298 1 510 . 1 1 39 39 LYS HE3 H 1 3.03 0.02 . 2 . . . . 102 LYS HE3 . 16298 1 511 . 1 1 39 39 LYS HG2 H 1 1.66 0.02 . 2 . . . . 102 LYS HG2 . 16298 1 512 . 1 1 39 39 LYS HG3 H 1 1.47 0.02 . 2 . . . . 102 LYS HG3 . 16298 1 513 . 1 1 39 39 LYS CA C 13 55.3 0.2 . 1 . . . . 102 LYS CA . 16298 1 514 . 1 1 39 39 LYS CB C 13 32.6 0.2 . 1 . . . . 102 LYS CB . 16298 1 515 . 1 1 39 39 LYS CD C 13 28.9 0.2 . 1 . . . . 102 LYS CD . 16298 1 516 . 1 1 39 39 LYS CE C 13 40.6 0.2 . 1 . . . . 102 LYS CE . 16298 1 517 . 1 1 39 39 LYS CG C 13 24.8 0.2 . 1 . . . . 102 LYS CG . 16298 1 518 . 1 1 39 39 LYS N N 15 125.6 0.2 . 1 . . . . 102 LYS N . 16298 1 519 . 1 1 40 40 PRO HA H 1 4.39 0.02 . 1 . . . . 103 PRO HA . 16298 1 520 . 1 1 40 40 PRO HB2 H 1 2.26 0.02 . 2 . . . . 103 PRO HB2 . 16298 1 521 . 1 1 40 40 PRO HB3 H 1 1.84 0.02 . 2 . . . . 103 PRO HB3 . 16298 1 522 . 1 1 40 40 PRO HD2 H 1 3.68 0.02 . 2 . . . . 103 PRO HD2 . 16298 1 523 . 1 1 40 40 PRO HD3 H 1 3.61 0.02 . 2 . . . . 103 PRO HD3 . 16298 1 524 . 1 1 40 40 PRO HG2 H 1 2 0.02 . 2 . . . . 103 PRO HG2 . 16298 1 525 . 1 1 40 40 PRO HG3 H 1 2 0.02 . 2 . . . . 103 PRO HG3 . 16298 1 526 . 1 1 40 40 PRO C C 13 180.6 0.2 . 1 . . . . 103 PRO C . 16298 1 527 . 1 1 40 40 PRO CA C 13 63.0 0.2 . 1 . . . . 103 PRO CA . 16298 1 528 . 1 1 40 40 PRO CB C 13 32.4 0.2 . 1 . . . . 103 PRO CB . 16298 1 529 . 1 1 40 40 PRO CD C 13 50.6 0.2 . 1 . . . . 103 PRO CD . 16298 1 530 . 1 1 40 40 PRO CG C 13 27.2 0.2 . 1 . . . . 103 PRO CG . 16298 1 531 . 1 1 41 41 ILE H H 1 9.59 0.02 . 1 . . . . 104 ILE H . 16298 1 532 . 1 1 41 41 ILE HA H 1 3.99 0.02 . 1 . . . . 104 ILE HA . 16298 1 533 . 1 1 41 41 ILE HB H 1 1.65 0.02 . 1 . . . . 104 ILE HB . 16298 1 534 . 1 1 41 41 ILE HD11 H 1 0.75 0.02 . 1 . . . . 104 ILE HD1 . 16298 1 535 . 1 1 41 41 ILE HD12 H 1 0.75 0.02 . 1 . . . . 104 ILE HD1 . 16298 1 536 . 1 1 41 41 ILE HD13 H 1 0.75 0.02 . 1 . . . . 104 ILE HD1 . 16298 1 537 . 1 1 41 41 ILE HG12 H 1 1.73 0.02 . 2 . . . . 104 ILE HG12 . 16298 1 538 . 1 1 41 41 ILE HG13 H 1 1.36 0.02 . 2 . . . . 104 ILE HG13 . 16298 1 539 . 1 1 41 41 ILE HG21 H 1 0.99 0.02 . 1 . . . . 104 ILE HG2 . 16298 1 540 . 1 1 41 41 ILE HG22 H 1 0.99 0.02 . 1 . . . . 104 ILE HG2 . 16298 1 541 . 1 1 41 41 ILE HG23 H 1 0.99 0.02 . 1 . . . . 104 ILE HG2 . 16298 1 542 . 1 1 41 41 ILE C C 13 175.8 0.2 . 1 . . . . 104 ILE C . 16298 1 543 . 1 1 41 41 ILE CA C 13 65 0.2 . 1 . . . . 104 ILE CA . 16298 1 544 . 1 1 41 41 ILE CB C 13 39.4 0.2 . 1 . . . . 104 ILE CB . 16298 1 545 . 1 1 41 41 ILE CD1 C 13 15.3 0.2 . 1 . . . . 104 ILE CD1 . 16298 1 546 . 1 1 41 41 ILE CG1 C 13 30.6 0.2 . 1 . . . . 104 ILE CG1 . 16298 1 547 . 1 1 41 41 ILE CG2 C 13 16.9 0.2 . 1 . . . . 104 ILE CG2 . 16298 1 548 . 1 1 41 41 ILE N N 15 129.6 0.2 . 1 . . . . 104 ILE N . 16298 1 549 . 1 1 42 42 GLN H H 1 9.46 0.02 . 1 . . . . 105 GLN H . 16298 1 550 . 1 1 42 42 GLN HA H 1 4.24 0.02 . 1 . . . . 105 GLN HA . 16298 1 551 . 1 1 42 42 GLN HB2 H 1 2.23 0.02 . 2 . . . . 105 GLN HB2 . 16298 1 552 . 1 1 42 42 GLN HB3 H 1 2.23 0.02 . 2 . . . . 105 GLN HB3 . 16298 1 553 . 1 1 42 42 GLN HE21 H 1 7.70 0.02 . 1 . . . . 105 GLN HE21 . 16298 1 554 . 1 1 42 42 GLN HE22 H 1 7.08 0.02 . 1 . . . . 105 GLN HE22 . 16298 1 555 . 1 1 42 42 GLN HG2 H 1 2.7 0.02 . 2 . . . . 105 GLN HG2 . 16298 1 556 . 1 1 42 42 GLN HG3 H 1 2.57 0.02 . 2 . . . . 105 GLN HG3 . 16298 1 557 . 1 1 42 42 GLN C C 13 176.1 0.2 . 1 . . . . 105 GLN C . 16298 1 558 . 1 1 42 42 GLN CA C 13 58.4 0.2 . 1 . . . . 105 GLN CA . 16298 1 559 . 1 1 42 42 GLN CB C 13 27.3 0.2 . 1 . . . . 105 GLN CB . 16298 1 560 . 1 1 42 42 GLN CD C 13 180.6 0.2 . 1 . . . . 105 GLN CD . 16298 1 561 . 1 1 42 42 GLN CG C 13 33.8 0.2 . 1 . . . . 105 GLN CG . 16298 1 562 . 1 1 42 42 GLN N N 15 121 0.2 . 1 . . . . 105 GLN N . 16298 1 563 . 1 1 42 42 GLN NE2 N 15 111.8 0.2 . 1 . . . . 105 GLN NE2 . 16298 1 564 . 1 1 43 43 THR H H 1 8.02 0.02 . 1 . . . . 106 THR H . 16298 1 565 . 1 1 43 43 THR HA H 1 4.46 0.02 . 1 . . . . 106 THR HA . 16298 1 566 . 1 1 43 43 THR HB H 1 4.49 0.02 . 1 . . . . 106 THR HB . 16298 1 567 . 1 1 43 43 THR HG1 H 1 5.27 0.02 . 1 . . . . 106 THR HG1 . 16298 1 568 . 1 1 43 43 THR HG21 H 1 1.28 0.02 . 1 . . . . 106 THR HG2 . 16298 1 569 . 1 1 43 43 THR HG22 H 1 1.28 0.02 . 1 . . . . 106 THR HG2 . 16298 1 570 . 1 1 43 43 THR HG23 H 1 1.28 0.02 . 1 . . . . 106 THR HG2 . 16298 1 571 . 1 1 43 43 THR C C 13 173.8 0.2 . 1 . . . . 106 THR C . 16298 1 572 . 1 1 43 43 THR CA C 13 61.9 0.2 . 1 . . . . 106 THR CA . 16298 1 573 . 1 1 43 43 THR CB C 13 70 0.2 . 1 . . . . 106 THR CB . 16298 1 574 . 1 1 43 43 THR CG2 C 13 21.7 0.2 . 1 . . . . 106 THR CG2 . 16298 1 575 . 1 1 43 43 THR N N 15 108.1 0.2 . 1 . . . . 106 THR N . 16298 1 576 . 1 1 44 44 ILE H H 1 6.91 0.02 . 1 . . . . 107 ILE H . 16298 1 577 . 1 1 44 44 ILE HA H 1 3.78 0.02 . 1 . . . . 107 ILE HA . 16298 1 578 . 1 1 44 44 ILE HB H 1 1.66 0.02 . 1 . . . . 107 ILE HB . 16298 1 579 . 1 1 44 44 ILE HD11 H 1 0.43 0.02 . 1 . . . . 107 ILE HD1 . 16298 1 580 . 1 1 44 44 ILE HD12 H 1 0.43 0.02 . 1 . . . . 107 ILE HD1 . 16298 1 581 . 1 1 44 44 ILE HD13 H 1 0.43 0.02 . 1 . . . . 107 ILE HD1 . 16298 1 582 . 1 1 44 44 ILE HG12 H 1 1.56 0.02 . 2 . . . . 107 ILE HG12 . 16298 1 583 . 1 1 44 44 ILE HG13 H 1 0.53 0.02 . 2 . . . . 107 ILE HG13 . 16298 1 584 . 1 1 44 44 ILE HG21 H 1 0.28 0.02 . 1 . . . . 107 ILE HG2 . 16298 1 585 . 1 1 44 44 ILE HG22 H 1 0.28 0.02 . 1 . . . . 107 ILE HG2 . 16298 1 586 . 1 1 44 44 ILE HG23 H 1 0.28 0.02 . 1 . . . . 107 ILE HG2 . 16298 1 587 . 1 1 44 44 ILE C C 13 174.6 0.2 . 1 . . . . 107 ILE C . 16298 1 588 . 1 1 44 44 ILE CA C 13 62.3 0.2 . 1 . . . . 107 ILE CA . 16298 1 589 . 1 1 44 44 ILE CB C 13 37.6 0.2 . 1 . . . . 107 ILE CB . 16298 1 590 . 1 1 44 44 ILE CD1 C 13 14.5 0.2 . 1 . . . . 107 ILE CD1 . 16298 1 591 . 1 1 44 44 ILE CG1 C 13 27.7 0.2 . 1 . . . . 107 ILE CG1 . 16298 1 592 . 1 1 44 44 ILE CG2 C 13 17.0 0.2 . 1 . . . . 107 ILE CG2 . 16298 1 593 . 1 1 44 44 ILE N N 15 122.5 0.2 . 1 . . . . 107 ILE N . 16298 1 594 . 1 1 45 45 LYS H H 1 9.11 0.02 . 1 . . . . 108 LYS H . 16298 1 595 . 1 1 45 45 LYS HA H 1 4.58 0.02 . 1 . . . . 108 LYS HA . 16298 1 596 . 1 1 45 45 LYS HB2 H 1 2.07 0.02 . 2 . . . . 108 LYS HB2 . 16298 1 597 . 1 1 45 45 LYS HB3 H 1 1.52 0.02 . 2 . . . . 108 LYS HB3 . 16298 1 598 . 1 1 45 45 LYS HD2 H 1 1.7 0.02 . 2 . . . . 108 LYS HD2 . 16298 1 599 . 1 1 45 45 LYS HD3 H 1 1.7 0.02 . 2 . . . . 108 LYS HD3 . 16298 1 600 . 1 1 45 45 LYS HE2 H 1 3.05 0.02 . 2 . . . . 108 LYS HE2 . 16298 1 601 . 1 1 45 45 LYS HE3 H 1 2.81 0.02 . 2 . . . . 108 LYS HE3 . 16298 1 602 . 1 1 45 45 LYS HG2 H 1 1.59 0.02 . 2 . . . . 108 LYS HG2 . 16298 1 603 . 1 1 45 45 LYS HG3 H 1 1.47 0.02 . 2 . . . . 108 LYS HG3 . 16298 1 604 . 1 1 45 45 LYS C C 13 177.9 0.2 . 1 . . . . 108 LYS C . 16298 1 605 . 1 1 45 45 LYS CA C 13 53.9 0.2 . 1 . . . . 108 LYS CA . 16298 1 606 . 1 1 45 45 LYS CB C 13 34.1 0.2 . 1 . . . . 108 LYS CB . 16298 1 607 . 1 1 45 45 LYS CD C 13 28.5 0.2 . 1 . . . . 108 LYS CD . 16298 1 608 . 1 1 45 45 LYS CE C 13 42.3 0.2 . 1 . . . . 108 LYS CE . 16298 1 609 . 1 1 45 45 LYS CG C 13 24.9 0.2 . 1 . . . . 108 LYS CG . 16298 1 610 . 1 1 45 45 LYS N N 15 128.5 0.2 . 1 . . . . 108 LYS N . 16298 1 611 . 1 1 46 46 LYS H H 1 8.92 0.02 . 1 . . . . 109 LYS H . 16298 1 612 . 1 1 46 46 LYS HA H 1 4.32 0.02 . 1 . . . . 109 LYS HA . 16298 1 613 . 1 1 46 46 LYS HB2 H 1 1.93 0.02 . 2 . . . . 109 LYS HB2 . 16298 1 614 . 1 1 46 46 LYS HB3 H 1 1.81 0.02 . 2 . . . . 109 LYS HB3 . 16298 1 615 . 1 1 46 46 LYS HD2 H 1 1.68 0.02 . 2 . . . . 109 LYS HD2 . 16298 1 616 . 1 1 46 46 LYS HD3 H 1 1.68 0.02 . 2 . . . . 109 LYS HD3 . 16298 1 617 . 1 1 46 46 LYS HE2 H 1 2.99 0.02 . 2 . . . . 109 LYS HE2 . 16298 1 618 . 1 1 46 46 LYS HE3 H 1 2.92 0.02 . 2 . . . . 109 LYS HE3 . 16298 1 619 . 1 1 46 46 LYS HG2 H 1 1.6 0.02 . 2 . . . . 109 LYS HG2 . 16298 1 620 . 1 1 46 46 LYS HG3 H 1 1.6 0.02 . 2 . . . . 109 LYS HG3 . 16298 1 621 . 1 1 46 46 LYS C C 13 178.9 0.2 . 1 . . . . 109 LYS C . 16298 1 622 . 1 1 46 46 LYS CA C 13 60.4 0.2 . 1 . . . . 109 LYS CA . 16298 1 623 . 1 1 46 46 LYS CB C 13 32.1 0.2 . 1 . . . . 109 LYS CB . 16298 1 624 . 1 1 46 46 LYS CD C 13 29.7 0.2 . 1 . . . . 109 LYS CD . 16298 1 625 . 1 1 46 46 LYS CE C 13 42.3 0.2 . 1 . . . . 109 LYS CE . 16298 1 626 . 1 1 46 46 LYS CG C 13 24 0.2 . 1 . . . . 109 LYS CG . 16298 1 627 . 1 1 46 46 LYS N N 15 123.6 0.2 . 1 . . . . 109 LYS N . 16298 1 628 . 1 1 47 47 HIS H H 1 8.32 0.02 . 1 . . . . 110 HIS H . 16298 1 629 . 1 1 47 47 HIS HA H 1 4.44 0.02 . 1 . . . . 110 HIS HA . 16298 1 630 . 1 1 47 47 HIS HB2 H 1 3.2 0.02 . 2 . . . . 110 HIS HB2 . 16298 1 631 . 1 1 47 47 HIS HB3 H 1 3.01 0.02 . 2 . . . . 110 HIS HB3 . 16298 1 632 . 1 1 47 47 HIS HD2 H 1 6.60 0.02 . 1 . . . . 110 HIS HD2 . 16298 1 633 . 1 1 47 47 HIS HE1 H 1 7.82 0.02 . 1 . . . . 110 HIS HE1 . 16298 1 634 . 1 1 47 47 HIS C C 13 177.9 0.2 . 1 . . . . 110 HIS C . 16298 1 635 . 1 1 47 47 HIS CA C 13 59.3 0.2 . 1 . . . . 110 HIS CA . 16298 1 636 . 1 1 47 47 HIS CB C 13 30.3 0.2 . 1 . . . . 110 HIS CB . 16298 1 637 . 1 1 47 47 HIS CD2 C 13 120.2 0.2 . 1 . . . . 110 HIS CD2 . 16298 1 638 . 1 1 47 47 HIS CE1 C 13 138.7 0.2 . 1 . . . . 110 HIS CE1 . 16298 1 639 . 1 1 47 47 HIS N N 15 114 0.2 . 1 . . . . 110 HIS N . 16298 1 640 . 1 1 47 47 HIS ND1 N 15 231 0.2 . 1 . . . . 110 HIS ND1 . 16298 1 641 . 1 1 47 47 HIS NE2 N 15 176.6 0.2 . 1 . . . . 110 HIS NE2 . 16298 1 642 . 1 1 48 48 ASP H H 1 6.92 0.02 . 1 . . . . 111 ASP H . 16298 1 643 . 1 1 48 48 ASP HA H 1 4.5 0.02 . 1 . . . . 111 ASP HA . 16298 1 644 . 1 1 48 48 ASP HB2 H 1 3.14 0.02 . 2 . . . . 111 ASP HB2 . 16298 1 645 . 1 1 48 48 ASP HB3 H 1 3.04 0.02 . 2 . . . . 111 ASP HB3 . 16298 1 646 . 1 1 48 48 ASP C C 13 179.2 0.2 . 1 . . . . 111 ASP C . 16298 1 647 . 1 1 48 48 ASP CA C 13 57.1 0.2 . 1 . . . . 111 ASP CA . 16298 1 648 . 1 1 48 48 ASP CB C 13 41.8 0.2 . 1 . . . . 111 ASP CB . 16298 1 649 . 1 1 48 48 ASP N N 15 118.5 0.2 . 1 . . . . 111 ASP N . 16298 1 650 . 1 1 49 49 TYR H H 1 8.14 0.02 . 1 . . . . 112 TYR H . 16298 1 651 . 1 1 49 49 TYR HA H 1 4.66 0.02 . 1 . . . . 112 TYR HA . 16298 1 652 . 1 1 49 49 TYR HB2 H 1 3.1 0.02 . 2 . . . . 112 TYR HB2 . 16298 1 653 . 1 1 49 49 TYR HB3 H 1 2.5 0.02 . 2 . . . . 112 TYR HB3 . 16298 1 654 . 1 1 49 49 TYR HD1 H 1 6.97 0.02 . 3 . . . . 112 TYR HD1 . 16298 1 655 . 1 1 49 49 TYR HD2 H 1 6.97 0.02 . 3 . . . . 112 TYR HD2 . 16298 1 656 . 1 1 49 49 TYR HE1 H 1 6.86 0.02 . 3 . . . . 112 TYR HE1 . 16298 1 657 . 1 1 49 49 TYR HE2 H 1 6.86 0.02 . 3 . . . . 112 TYR HE2 . 16298 1 658 . 1 1 49 49 TYR C C 13 176.7 0.2 . 1 . . . . 112 TYR C . 16298 1 659 . 1 1 49 49 TYR CA C 13 60.3 0.2 . 1 . . . . 112 TYR CA . 16298 1 660 . 1 1 49 49 TYR CB C 13 38.2 0.2 . 1 . . . . 112 TYR CB . 16298 1 661 . 1 1 49 49 TYR CD1 C 13 131.8 0.2 . 3 . . . . 112 TYR CD1 . 16298 1 662 . 1 1 49 49 TYR CD2 C 13 131.8 0.02 . 3 . . . . 112 TYR CD2 . 16298 1 663 . 1 1 49 49 TYR CE1 C 13 118.5 0.02 . 3 . . . . 112 TYR CE1 . 16298 1 664 . 1 1 49 49 TYR CE2 C 13 118.5 0.02 . 3 . . . . 112 TYR CE2 . 16298 1 665 . 1 1 49 49 TYR N N 15 122.2 0.2 . 1 . . . . 112 TYR N . 16298 1 666 . 1 1 50 50 GLN H H 1 9.3 0.02 . 1 . . . . 113 GLN H . 16298 1 667 . 1 1 50 50 GLN HA H 1 3.71 0.02 . 1 . . . . 113 GLN HA . 16298 1 668 . 1 1 50 50 GLN HB2 H 1 2.17 0.02 . 2 . . . . 113 GLN HB2 . 16298 1 669 . 1 1 50 50 GLN HB3 H 1 2.17 0.02 . 2 . . . . 113 GLN HB3 . 16298 1 670 . 1 1 50 50 GLN HE21 H 1 7.84 0.02 . 1 . . . . 113 GLN HE21 . 16298 1 671 . 1 1 50 50 GLN HE22 H 1 7.62 0.02 . 1 . . . . 113 GLN HE22 . 16298 1 672 . 1 1 50 50 GLN HG2 H 1 2.33 0.02 . 2 . . . . 113 GLN HG2 . 16298 1 673 . 1 1 50 50 GLN HG3 H 1 2.33 0.02 . 2 . . . . 113 GLN HG3 . 16298 1 674 . 1 1 50 50 GLN C C 13 177.3 0.2 . 1 . . . . 113 GLN C . 16298 1 675 . 1 1 50 50 GLN CA C 13 58.6 0.2 . 1 . . . . 113 GLN CA . 16298 1 676 . 1 1 50 50 GLN CB C 13 29.1 0.2 . 1 . . . . 113 GLN CB . 16298 1 677 . 1 1 50 50 GLN CD C 13 180.2 0.2 . 1 . . . . 113 GLN CD . 16298 1 678 . 1 1 50 50 GLN CG C 13 34.0 0.2 . 1 . . . . 113 GLN CG . 16298 1 679 . 1 1 50 50 GLN N N 15 119.8 0.2 . 1 . . . . 113 GLN N . 16298 1 680 . 1 1 50 50 GLN NE2 N 15 118.2 0.2 . 1 . . . . 113 GLN NE2 . 16298 1 681 . 1 1 51 51 ARG H H 1 7.84 0.02 . 1 . . . . 114 ARG H . 16298 1 682 . 1 1 51 51 ARG HA H 1 4.12 0.02 . 1 . . . . 114 ARG HA . 16298 1 683 . 1 1 51 51 ARG HB2 H 1 1.94 0.02 . 2 . . . . 114 ARG HB2 . 16298 1 684 . 1 1 51 51 ARG HB3 H 1 1.94 0.02 . 2 . . . . 114 ARG HB3 . 16298 1 685 . 1 1 51 51 ARG HD2 H 1 3.29 0.02 . 2 . . . . 114 ARG HD2 . 16298 1 686 . 1 1 51 51 ARG HD3 H 1 3.26 0.02 . 2 . . . . 114 ARG HD3 . 16298 1 687 . 1 1 51 51 ARG HG2 H 1 1.68 0.02 . 2 . . . . 114 ARG HG2 . 16298 1 688 . 1 1 51 51 ARG HG3 H 1 1.68 0.02 . 2 . . . . 114 ARG HG3 . 16298 1 689 . 1 1 51 51 ARG C C 13 177.9 0.2 . 1 . . . . 114 ARG C . 16298 1 690 . 1 1 51 51 ARG CA C 13 59.3 0.2 . 1 . . . . 114 ARG CA . 16298 1 691 . 1 1 51 51 ARG CB C 13 30.0 0.2 . 1 . . . . 114 ARG CB . 16298 1 692 . 1 1 51 51 ARG CD C 13 43.3 0.2 . 1 . . . . 114 ARG CD . 16298 1 693 . 1 1 51 51 ARG CG C 13 27.6 0.2 . 1 . . . . 114 ARG CG . 16298 1 694 . 1 1 51 51 ARG N N 15 117.8 0.2 . 1 . . . . 114 ARG N . 16298 1 695 . 1 1 52 52 PHE H H 1 7.31 0.02 . 1 . . . . 115 PHE H . 16298 1 696 . 1 1 52 52 PHE HA H 1 4.31 0.02 . 1 . . . . 115 PHE HA . 16298 1 697 . 1 1 52 52 PHE HB2 H 1 3.58 0.02 . 2 . . . . 115 PHE HB2 . 16298 1 698 . 1 1 52 52 PHE HB3 H 1 3.17 0.02 . 2 . . . . 115 PHE HB3 . 16298 1 699 . 1 1 52 52 PHE HD1 H 1 7.05 0.02 . 3 . . . . 115 PHE HD1 . 16298 1 700 . 1 1 52 52 PHE HD2 H 1 7.05 0.02 . 3 . . . . 115 PHE HD2 . 16298 1 701 . 1 1 52 52 PHE HE1 H 1 7.10 0.02 . 3 . . . . 115 PHE HE1 . 16298 1 702 . 1 1 52 52 PHE HE2 H 1 7.10 0.02 . 3 . . . . 115 PHE HE2 . 16298 1 703 . 1 1 52 52 PHE HZ H 1 7.00 0.02 . 1 . . . . 115 PHE HZ . 16298 1 704 . 1 1 52 52 PHE C C 13 175.6 0.2 . 1 . . . . 115 PHE C . 16298 1 705 . 1 1 52 52 PHE CA C 13 60.3 0.2 . 1 . . . . 115 PHE CA . 16298 1 706 . 1 1 52 52 PHE CB C 13 39 0.2 . 1 . . . . 115 PHE CB . 16298 1 707 . 1 1 52 52 PHE CD1 C 13 132.1 0.02 . 3 . . . . 115 PHE CD1 . 16298 1 708 . 1 1 52 52 PHE CD2 C 13 132.1 0.02 . 3 . . . . 115 PHE CD2 . 16298 1 709 . 1 1 52 52 PHE CE1 C 13 130.5 0.02 . 3 . . . . 115 PHE CE1 . 16298 1 710 . 1 1 52 52 PHE CE2 C 13 130.5 0.02 . 3 . . . . 115 PHE CE2 . 16298 1 711 . 1 1 52 52 PHE CZ C 13 128.9 0.2 . 1 . . . . 115 PHE CZ . 16298 1 712 . 1 1 52 52 PHE N N 15 118.7 0.2 . 1 . . . . 115 PHE N . 16298 1 713 . 1 1 53 53 VAL H H 1 8.23 0.02 . 1 . . . . 116 VAL H . 16298 1 714 . 1 1 53 53 VAL HA H 1 2.9 0.02 . 1 . . . . 116 VAL HA . 16298 1 715 . 1 1 53 53 VAL HB H 1 1.92 0.02 . 1 . . . . 116 VAL HB . 16298 1 716 . 1 1 53 53 VAL HG11 H 1 0.66 0.02 . 1 . . . . 116 VAL HG1 . 16298 1 717 . 1 1 53 53 VAL HG12 H 1 0.66 0.02 . 1 . . . . 116 VAL HG1 . 16298 1 718 . 1 1 53 53 VAL HG13 H 1 0.66 0.02 . 1 . . . . 116 VAL HG1 . 16298 1 719 . 1 1 53 53 VAL HG21 H 1 0.53 0.02 . 1 . . . . 116 VAL HG2 . 16298 1 720 . 1 1 53 53 VAL HG22 H 1 0.53 0.02 . 1 . . . . 116 VAL HG2 . 16298 1 721 . 1 1 53 53 VAL HG23 H 1 0.53 0.02 . 1 . . . . 116 VAL HG2 . 16298 1 722 . 1 1 53 53 VAL C C 13 179 0.2 . 1 . . . . 116 VAL C . 16298 1 723 . 1 1 53 53 VAL CA C 13 66.8 0.2 . 1 . . . . 116 VAL CA . 16298 1 724 . 1 1 53 53 VAL CB C 13 31.1 0.2 . 1 . . . . 116 VAL CB . 16298 1 725 . 1 1 53 53 VAL CG1 C 13 21.2 0.02 . 1 . . . . 116 VAL CG1 . 16298 1 726 . 1 1 53 53 VAL CG2 C 13 23.5 0.02 . 1 . . . . 116 VAL CG2 . 16298 1 727 . 1 1 53 53 VAL N N 15 119.8 0.2 . 1 . . . . 116 VAL N . 16298 1 728 . 1 1 54 54 ASP H H 1 9.11 0.02 . 1 . . . . 117 ASP H . 16298 1 729 . 1 1 54 54 ASP HA H 1 4.15 0.02 . 1 . . . . 117 ASP HA . 16298 1 730 . 1 1 54 54 ASP HB2 H 1 2.83 0.02 . 2 . . . . 117 ASP HB2 . 16298 1 731 . 1 1 54 54 ASP HB3 H 1 2.6 0.02 . 2 . . . . 117 ASP HB3 . 16298 1 732 . 1 1 54 54 ASP C C 13 179.2 0.2 . 1 . . . . 117 ASP C . 16298 1 733 . 1 1 54 54 ASP CA C 13 57.9 0.2 . 1 . . . . 117 ASP CA . 16298 1 734 . 1 1 54 54 ASP CB C 13 39.8 0.2 . 1 . . . . 117 ASP CB . 16298 1 735 . 1 1 54 54 ASP N N 15 124.8 0.2 . 1 . . . . 117 ASP N . 16298 1 736 . 1 1 55 55 ASP H H 1 8.24 0.02 . 1 . . . . 118 ASP H . 16298 1 737 . 1 1 55 55 ASP HA H 1 4.39 0.02 . 1 . . . . 118 ASP HA . 16298 1 738 . 1 1 55 55 ASP HB2 H 1 2.88 0.02 . 2 . . . . 118 ASP HB2 . 16298 1 739 . 1 1 55 55 ASP HB3 H 1 2.65 0.02 . 2 . . . . 118 ASP HB3 . 16298 1 740 . 1 1 55 55 ASP C C 13 180.2 0.2 . 1 . . . . 118 ASP C . 16298 1 741 . 1 1 55 55 ASP CA C 13 57.6 0.2 . 1 . . . . 118 ASP CA . 16298 1 742 . 1 1 55 55 ASP CB C 13 40.1 0.2 . 1 . . . . 118 ASP CB . 16298 1 743 . 1 1 55 55 ASP N N 15 121.9 0.2 . 1 . . . . 118 ASP N . 16298 1 744 . 1 1 56 56 ILE H H 1 8.35 0.02 . 1 . . . . 119 ILE H . 16298 1 745 . 1 1 56 56 ILE HA H 1 4.04 0.02 . 1 . . . . 119 ILE HA . 16298 1 746 . 1 1 56 56 ILE HB H 1 1.74 0.02 . 1 . . . . 119 ILE HB . 16298 1 747 . 1 1 56 56 ILE HD11 H 1 0.36 0.02 . 1 . . . . 119 ILE HD1 . 16298 1 748 . 1 1 56 56 ILE HD12 H 1 0.36 0.02 . 1 . . . . 119 ILE HD1 . 16298 1 749 . 1 1 56 56 ILE HD13 H 1 0.36 0.02 . 1 . . . . 119 ILE HD1 . 16298 1 750 . 1 1 56 56 ILE HG12 H 1 1.32 0.02 . 2 . . . . 119 ILE HG12 . 16298 1 751 . 1 1 56 56 ILE HG13 H 1 1.06 0.02 . 2 . . . . 119 ILE HG13 . 16298 1 752 . 1 1 56 56 ILE HG21 H 1 0.66 0.02 . 1 . . . . 119 ILE HG2 . 16298 1 753 . 1 1 56 56 ILE HG22 H 1 0.66 0.02 . 1 . . . . 119 ILE HG2 . 16298 1 754 . 1 1 56 56 ILE HG23 H 1 0.66 0.02 . 1 . . . . 119 ILE HG2 . 16298 1 755 . 1 1 56 56 ILE C C 13 178.6 0.2 . 1 . . . . 119 ILE C . 16298 1 756 . 1 1 56 56 ILE CA C 13 64.5 0.2 . 1 . . . . 119 ILE CA . 16298 1 757 . 1 1 56 56 ILE CB C 13 37.3 0.2 . 1 . . . . 119 ILE CB . 16298 1 758 . 1 1 56 56 ILE CD1 C 13 13.9 0.2 . 1 . . . . 119 ILE CD1 . 16298 1 759 . 1 1 56 56 ILE CG1 C 13 25.8 0.2 . 1 . . . . 119 ILE CG1 . 16298 1 760 . 1 1 56 56 ILE CG2 C 13 18.7 0.2 . 1 . . . . 119 ILE CG2 . 16298 1 761 . 1 1 56 56 ILE N N 15 116.1 0.2 . 1 . . . . 119 ILE N . 16298 1 762 . 1 1 57 57 SER H H 1 8.08 0.02 . 1 . . . . 120 SER H . 16298 1 763 . 1 1 57 57 SER HA H 1 4.38 0.02 . 1 . . . . 120 SER HA . 16298 1 764 . 1 1 57 57 SER HB2 H 1 4.05 0.02 . 2 . . . . 120 SER HB2 . 16298 1 765 . 1 1 57 57 SER HB3 H 1 3.84 0.02 . 2 . . . . 120 SER HB3 . 16298 1 766 . 1 1 57 57 SER C C 13 174.5 0.2 . 1 . . . . 120 SER C . 16298 1 767 . 1 1 57 57 SER CA C 13 61.7 0.2 . 1 . . . . 120 SER CA . 16298 1 768 . 1 1 57 57 SER CB C 13 63.0 0.2 . 1 . . . . 120 SER CB . 16298 1 769 . 1 1 57 57 SER N N 15 117.5 0.2 . 1 . . . . 120 SER N . 16298 1 770 . 1 1 58 58 ALA H H 1 7.19 0.02 . 1 . . . . 121 ALA H . 16298 1 771 . 1 1 58 58 ALA HA H 1 4.32 0.02 . 1 . . . . 121 ALA HA . 16298 1 772 . 1 1 58 58 ALA HB1 H 1 1.47 0.02 . 1 . . . . 121 ALA HB . 16298 1 773 . 1 1 58 58 ALA HB2 H 1 1.47 0.02 . 1 . . . . 121 ALA HB . 16298 1 774 . 1 1 58 58 ALA HB3 H 1 1.47 0.02 . 1 . . . . 121 ALA HB . 16298 1 775 . 1 1 58 58 ALA C C 13 177.8 0.2 . 1 . . . . 121 ALA C . 16298 1 776 . 1 1 58 58 ALA CA C 13 52.8 0.2 . 1 . . . . 121 ALA CA . 16298 1 777 . 1 1 58 58 ALA CB C 13 19.1 0.2 . 1 . . . . 121 ALA CB . 16298 1 778 . 1 1 58 58 ALA N N 15 120.2 0.2 . 1 . . . . 121 ALA N . 16298 1 779 . 1 1 59 59 GLN H H 1 7.14 0.02 . 1 . . . . 122 GLN H . 16298 1 780 . 1 1 59 59 GLN HA H 1 4.12 0.02 . 1 . . . . 122 GLN HA . 16298 1 781 . 1 1 59 59 GLN HB2 H 1 1.51 0.02 . 2 . . . . 122 GLN HB2 . 16298 1 782 . 1 1 59 59 GLN HB3 H 1 1.31 0.02 . 2 . . . . 122 GLN HB3 . 16298 1 783 . 1 1 59 59 GLN HE21 H 1 6.69 0.02 . 1 . . . . 122 GLN HE21 . 16298 1 784 . 1 1 59 59 GLN HE22 H 1 7.01 0.02 . 1 . . . . 122 GLN HE22 . 16298 1 785 . 1 1 59 59 GLN HG2 H 1 1.99 0.02 . 2 . . . . 122 GLN HG2 . 16298 1 786 . 1 1 59 59 GLN HG3 H 1 1.77 0.02 . 2 . . . . 122 GLN HG3 . 16298 1 787 . 1 1 59 59 GLN C C 13 175.3 0.2 . 1 . . . . 122 GLN C . 16298 1 788 . 1 1 59 59 GLN CA C 13 56.7 0.2 . 1 . . . . 122 GLN CA . 16298 1 789 . 1 1 59 59 GLN CB C 13 31.7 0.2 . 1 . . . . 122 GLN CB . 16298 1 790 . 1 1 59 59 GLN CD C 13 179.6 0.2 . 1 . . . . 122 GLN CD . 16298 1 791 . 1 1 59 59 GLN CG C 13 33.4 0.2 . 1 . . . . 122 GLN CG . 16298 1 792 . 1 1 59 59 GLN N N 15 115.3 0.2 . 1 . . . . 122 GLN N . 16298 1 793 . 1 1 59 59 GLN NE2 N 15 110.5 0.2 . 1 . . . . 122 GLN NE2 . 16298 1 794 . 1 1 60 60 TYR H H 1 7.45 0.02 . 1 . . . . 123 TYR H . 16298 1 795 . 1 1 60 60 TYR HA H 1 5.04 0.02 . 1 . . . . 123 TYR HA . 16298 1 796 . 1 1 60 60 TYR HB2 H 1 3.39 0.02 . 2 . . . . 123 TYR HB2 . 16298 1 797 . 1 1 60 60 TYR HB3 H 1 2.62 0.02 . 2 . . . . 123 TYR HB3 . 16298 1 798 . 1 1 60 60 TYR HD1 H 1 7.03 0.02 . 3 . . . . 123 TYR HD1 . 16298 1 799 . 1 1 60 60 TYR HD2 H 1 7.03 0.02 . 3 . . . . 123 TYR HD2 . 16298 1 800 . 1 1 60 60 TYR HE1 H 1 6.60 0.02 . 3 . . . . 123 TYR HE1 . 16298 1 801 . 1 1 60 60 TYR HE2 H 1 6.60 0.02 . 3 . . . . 123 TYR HE2 . 16298 1 802 . 1 1 60 60 TYR C C 13 174.6 0.2 . 1 . . . . 123 TYR C . 16298 1 803 . 1 1 60 60 TYR CA C 13 56 0.2 . 1 . . . . 123 TYR CA . 16298 1 804 . 1 1 60 60 TYR CB C 13 42.7 0.2 . 1 . . . . 123 TYR CB . 16298 1 805 . 1 1 60 60 TYR CD1 C 13 133.4 0.02 . 3 . . . . 123 TYR CD1 . 16298 1 806 . 1 1 60 60 TYR CD2 C 13 133.4 0.02 . 3 . . . . 123 TYR CD2 . 16298 1 807 . 1 1 60 60 TYR CE1 C 13 117.7 0.02 . 3 . . . . 123 TYR CE1 . 16298 1 808 . 1 1 60 60 TYR CE2 C 13 117.7 0.02 . 3 . . . . 123 TYR CE2 . 16298 1 809 . 1 1 60 60 TYR N N 15 116.5 0.2 . 1 . . . . 123 TYR N . 16298 1 810 . 1 1 61 61 SER H H 1 8.83 0.02 . 1 . . . . 124 SER H . 16298 1 811 . 1 1 61 61 SER HA H 1 4.4 0.02 . 1 . . . . 124 SER HA . 16298 1 812 . 1 1 61 61 SER HB2 H 1 4.28 0.02 . 2 . . . . 124 SER HB2 . 16298 1 813 . 1 1 61 61 SER HB3 H 1 4.12 0.02 . 2 . . . . 124 SER HB3 . 16298 1 814 . 1 1 61 61 SER C C 13 174.6 0.2 . 1 . . . . 124 SER C . 16298 1 815 . 1 1 61 61 SER CA C 13 58 0.2 . 1 . . . . 124 SER CA . 16298 1 816 . 1 1 61 61 SER CB C 13 64.4 0.2 . 1 . . . . 124 SER CB . 16298 1 817 . 1 1 61 61 SER N N 15 116.2 0.2 . 1 . . . . 124 SER N . 16298 1 818 . 1 1 62 62 LYS H H 1 8.84 0.02 . 1 . . . . 125 LYS H . 16298 1 819 . 1 1 62 62 LYS HA H 1 3.89 0.02 . 1 . . . . 125 LYS HA . 16298 1 820 . 1 1 62 62 LYS HB2 H 1 1.99 0.02 . 2 . . . . 125 LYS HB2 . 16298 1 821 . 1 1 62 62 LYS HB3 H 1 1.82 0.02 . 2 . . . . 125 LYS HB3 . 16298 1 822 . 1 1 62 62 LYS HD2 H 1 1.68 0.02 . 2 . . . . 125 LYS HD2 . 16298 1 823 . 1 1 62 62 LYS HD3 H 1 1.68 0.02 . 2 . . . . 125 LYS HD3 . 16298 1 824 . 1 1 62 62 LYS HE2 H 1 3.09 0.02 . 2 . . . . 125 LYS HE2 . 16298 1 825 . 1 1 62 62 LYS HE3 H 1 3.09 0.02 . 2 . . . . 125 LYS HE3 . 16298 1 826 . 1 1 62 62 LYS HG2 H 1 1.66 0.02 . 2 . . . . 125 LYS HG2 . 16298 1 827 . 1 1 62 62 LYS HG3 H 1 1.66 0.02 . 2 . . . . 125 LYS HG3 . 16298 1 828 . 1 1 62 62 LYS C C 13 177.9 0.2 . 1 . . . . 125 LYS C . 16298 1 829 . 1 1 62 62 LYS CA C 13 60.4 0.2 . 1 . . . . 125 LYS CA . 16298 1 830 . 1 1 62 62 LYS CB C 13 32.5 0.2 . 1 . . . . 125 LYS CB . 16298 1 831 . 1 1 62 62 LYS CD C 13 29.1 0.2 . 1 . . . . 125 LYS CD . 16298 1 832 . 1 1 62 62 LYS CE C 13 42.3 0.2 . 1 . . . . 125 LYS CE . 16298 1 833 . 1 1 62 62 LYS CG C 13 24.4 0.2 . 1 . . . . 125 LYS CG . 16298 1 834 . 1 1 62 62 LYS N N 15 123.4 0.2 . 1 . . . . 125 LYS N . 16298 1 835 . 1 1 63 63 ASN H H 1 8.67 0.02 . 1 . . . . 126 ASN H . 16298 1 836 . 1 1 63 63 ASN HA H 1 4.44 0.02 . 1 . . . . 126 ASN HA . 16298 1 837 . 1 1 63 63 ASN HB2 H 1 2.8 0.02 . 2 . . . . 126 ASN HB2 . 16298 1 838 . 1 1 63 63 ASN HB3 H 1 2.8 0.02 . 2 . . . . 126 ASN HB3 . 16298 1 839 . 1 1 63 63 ASN HD21 H 1 7.72 0.02 . 1 . . . . 126 ASN HD21 . 16298 1 840 . 1 1 63 63 ASN HD22 H 1 6.99 0.02 . 1 . . . . 126 ASN HD22 . 16298 1 841 . 1 1 63 63 ASN C C 13 177.6 0.2 . 1 . . . . 126 ASN C . 16298 1 842 . 1 1 63 63 ASN CA C 13 56.3 0.2 . 1 . . . . 126 ASN CA . 16298 1 843 . 1 1 63 63 ASN CB C 13 37.8 0.2 . 1 . . . . 126 ASN CB . 16298 1 844 . 1 1 63 63 ASN CG C 13 176.4 0.2 . 1 . . . . 126 ASN CG . 16298 1 845 . 1 1 63 63 ASN N N 15 114.9 0.2 . 1 . . . . 126 ASN N . 16298 1 846 . 1 1 63 63 ASN ND2 N 15 113.0 0.2 . 1 . . . . 126 ASN ND2 . 16298 1 847 . 1 1 64 64 TYR H H 1 7.77 0.02 . 1 . . . . 127 TYR H . 16298 1 848 . 1 1 64 64 TYR HA H 1 4.5 0.02 . 1 . . . . 127 TYR HA . 16298 1 849 . 1 1 64 64 TYR HB2 H 1 3.12 0.02 . 2 . . . . 127 TYR HB2 . 16298 1 850 . 1 1 64 64 TYR HB3 H 1 3.02 0.02 . 2 . . . . 127 TYR HB3 . 16298 1 851 . 1 1 64 64 TYR HD1 H 1 6.83 0.02 . 3 . . . . 127 TYR HD1 . 16298 1 852 . 1 1 64 64 TYR HD2 H 1 6.83 0.02 . 3 . . . . 127 TYR HD2 . 16298 1 853 . 1 1 64 64 TYR HE1 H 1 6.28 0.02 . 3 . . . . 127 TYR HE1 . 16298 1 854 . 1 1 64 64 TYR HE2 H 1 6.28 0.02 . 3 . . . . 127 TYR HE2 . 16298 1 855 . 1 1 64 64 TYR C C 13 178.4 0.2 . 1 . . . . 127 TYR C . 16298 1 856 . 1 1 64 64 TYR CA C 13 60.1 0.2 . 1 . . . . 127 TYR CA . 16298 1 857 . 1 1 64 64 TYR CB C 13 38.6 0.2 . 1 . . . . 127 TYR CB . 16298 1 858 . 1 1 64 64 TYR CD1 C 13 132.7 0.02 . 3 . . . . 127 TYR CD1 . 16298 1 859 . 1 1 64 64 TYR CD2 C 13 132.7 0.02 . 3 . . . . 127 TYR CD2 . 16298 1 860 . 1 1 64 64 TYR CE1 C 13 118.6 0.02 . 3 . . . . 127 TYR CE1 . 16298 1 861 . 1 1 64 64 TYR CE2 C 13 118.6 0.02 . 3 . . . . 127 TYR CE2 . 16298 1 862 . 1 1 64 64 TYR N N 15 122.5 0.2 . 1 . . . . 127 TYR N . 16298 1 863 . 1 1 65 65 VAL H H 1 8.59 0.02 . 1 . . . . 128 VAL H . 16298 1 864 . 1 1 65 65 VAL HA H 1 3.19 0.02 . 1 . . . . 128 VAL HA . 16298 1 865 . 1 1 65 65 VAL HB H 1 2.14 0.02 . 1 . . . . 128 VAL HB . 16298 1 866 . 1 1 65 65 VAL HG11 H 1 0.79 0.02 . 1 . . . . 128 VAL HG1 . 16298 1 867 . 1 1 65 65 VAL HG12 H 1 0.79 0.02 . 1 . . . . 128 VAL HG1 . 16298 1 868 . 1 1 65 65 VAL HG13 H 1 0.79 0.02 . 1 . . . . 128 VAL HG1 . 16298 1 869 . 1 1 65 65 VAL HG21 H 1 0.95 0.02 . 1 . . . . 128 VAL HG2 . 16298 1 870 . 1 1 65 65 VAL HG22 H 1 0.95 0.02 . 1 . . . . 128 VAL HG2 . 16298 1 871 . 1 1 65 65 VAL HG23 H 1 0.95 0.02 . 1 . . . . 128 VAL HG2 . 16298 1 872 . 1 1 65 65 VAL C C 13 177.6 0.2 . 1 . . . . 128 VAL C . 16298 1 873 . 1 1 65 65 VAL CA C 13 67.4 0.2 . 1 . . . . 128 VAL CA . 16298 1 874 . 1 1 65 65 VAL CB C 13 31.4 0.2 . 1 . . . . 128 VAL CB . 16298 1 875 . 1 1 65 65 VAL CG1 C 13 21.1 0.02 . 1 . . . . 128 VAL CG1 . 16298 1 876 . 1 1 65 65 VAL CG2 C 13 25.3 0.02 . 1 . . . . 128 VAL CG2 . 16298 1 877 . 1 1 65 65 VAL N N 15 120.9 0.2 . 1 . . . . 128 VAL N . 16298 1 878 . 1 1 66 66 ASP H H 1 8.75 0.02 . 1 . . . . 129 ASP H . 16298 1 879 . 1 1 66 66 ASP HA H 1 4.26 0.02 . 1 . . . . 129 ASP HA . 16298 1 880 . 1 1 66 66 ASP HB2 H 1 2.93 0.02 . 2 . . . . 129 ASP HB2 . 16298 1 881 . 1 1 66 66 ASP HB3 H 1 2.64 0.02 . 2 . . . . 129 ASP HB3 . 16298 1 882 . 1 1 66 66 ASP C C 13 179.3 0.2 . 1 . . . . 129 ASP C . 16298 1 883 . 1 1 66 66 ASP CA C 13 57.7 0.2 . 1 . . . . 129 ASP CA . 16298 1 884 . 1 1 66 66 ASP CB C 13 39.7 0.2 . 1 . . . . 129 ASP CB . 16298 1 885 . 1 1 66 66 ASP N N 15 118.6 0.2 . 1 . . . . 129 ASP N . 16298 1 886 . 1 1 67 67 SER H H 1 7.33 0.02 . 1 . . . . 130 SER H . 16298 1 887 . 1 1 67 67 SER HA H 1 4.38 0.02 . 1 . . . . 130 SER HA . 16298 1 888 . 1 1 67 67 SER HB2 H 1 4 0.02 . 2 . . . . 130 SER HB2 . 16298 1 889 . 1 1 67 67 SER HB3 H 1 4 0.02 . 2 . . . . 130 SER HB3 . 16298 1 890 . 1 1 67 67 SER C C 13 177.5 0.2 . 1 . . . . 130 SER C . 16298 1 891 . 1 1 67 67 SER CA C 13 61.4 0.2 . 1 . . . . 130 SER CA . 16298 1 892 . 1 1 67 67 SER CB C 13 63.0 0.2 . 1 . . . . 130 SER CB . 16298 1 893 . 1 1 67 67 SER N N 15 115.4 0.2 . 1 . . . . 130 SER N . 16298 1 894 . 1 1 68 68 ILE H H 1 8.28 0.02 . 1 . . . . 131 ILE H . 16298 1 895 . 1 1 68 68 ILE HA H 1 3.6 0.02 . 1 . . . . 131 ILE HA . 16298 1 896 . 1 1 68 68 ILE HB H 1 1.76 0.02 . 1 . . . . 131 ILE HB . 16298 1 897 . 1 1 68 68 ILE HD11 H 1 -0.08 0.02 . 1 . . . . 131 ILE HD1 . 16298 1 898 . 1 1 68 68 ILE HD12 H 1 -0.08 0.02 . 1 . . . . 131 ILE HD1 . 16298 1 899 . 1 1 68 68 ILE HD13 H 1 -0.08 0.02 . 1 . . . . 131 ILE HD1 . 16298 1 900 . 1 1 68 68 ILE HG12 H 1 1.16 0.02 . 2 . . . . 131 ILE HG12 . 16298 1 901 . 1 1 68 68 ILE HG13 H 1 1.00 0.02 . 2 . . . . 131 ILE HG13 . 16298 1 902 . 1 1 68 68 ILE HG21 H 1 0.94 0.02 . 1 . . . . 131 ILE HG2 . 16298 1 903 . 1 1 68 68 ILE HG22 H 1 0.94 0.02 . 1 . . . . 131 ILE HG2 . 16298 1 904 . 1 1 68 68 ILE HG23 H 1 0.94 0.02 . 1 . . . . 131 ILE HG2 . 16298 1 905 . 1 1 68 68 ILE C C 13 179.6 0.2 . 1 . . . . 131 ILE C . 16298 1 906 . 1 1 68 68 ILE CA C 13 66.4 0.2 . 1 . . . . 131 ILE CA . 16298 1 907 . 1 1 68 68 ILE CB C 13 38.4 0.2 . 1 . . . . 131 ILE CB . 16298 1 908 . 1 1 68 68 ILE CD1 C 13 13.9 0.2 . 1 . . . . 131 ILE CD1 . 16298 1 909 . 1 1 68 68 ILE CG1 C 13 27.5 0.2 . 1 . . . . 131 ILE CG1 . 16298 1 910 . 1 1 68 68 ILE CG2 C 13 17.7 0.2 . 1 . . . . 131 ILE CG2 . 16298 1 911 . 1 1 68 68 ILE N N 15 125.8 0.2 . 1 . . . . 131 ILE N . 16298 1 912 . 1 1 69 69 VAL H H 1 9.13 0.02 . 1 . . . . 132 VAL H . 16298 1 913 . 1 1 69 69 VAL HA H 1 3.67 0.02 . 1 . . . . 132 VAL HA . 16298 1 914 . 1 1 69 69 VAL HB H 1 2.05 0.02 . 1 . . . . 132 VAL HB . 16298 1 915 . 1 1 69 69 VAL HG11 H 1 0.98 0.02 . 1 . . . . 132 VAL HG1 . 16298 1 916 . 1 1 69 69 VAL HG12 H 1 0.98 0.02 . 1 . . . . 132 VAL HG1 . 16298 1 917 . 1 1 69 69 VAL HG13 H 1 0.98 0.02 . 1 . . . . 132 VAL HG1 . 16298 1 918 . 1 1 69 69 VAL HG21 H 1 0.9 0.02 . 1 . . . . 132 VAL HG2 . 16298 1 919 . 1 1 69 69 VAL HG22 H 1 0.9 0.02 . 1 . . . . 132 VAL HG2 . 16298 1 920 . 1 1 69 69 VAL HG23 H 1 0.9 0.02 . 1 . . . . 132 VAL HG2 . 16298 1 921 . 1 1 69 69 VAL C C 13 177.5 0.2 . 1 . . . . 132 VAL C . 16298 1 922 . 1 1 69 69 VAL CA C 13 66.8 0.2 . 1 . . . . 132 VAL CA . 16298 1 923 . 1 1 69 69 VAL CB C 13 32.1 0.2 . 1 . . . . 132 VAL CB . 16298 1 924 . 1 1 69 69 VAL CG1 C 13 20.9 0.02 . 1 . . . . 132 VAL CG1 . 16298 1 925 . 1 1 69 69 VAL CG2 C 13 24 0.02 . 1 . . . . 132 VAL CG2 . 16298 1 926 . 1 1 69 69 VAL N N 15 123.3 0.2 . 1 . . . . 132 VAL N . 16298 1 927 . 1 1 70 70 ALA H H 1 8.33 0.02 . 1 . . . . 133 ALA H . 16298 1 928 . 1 1 70 70 ALA HA H 1 4.09 0.02 . 1 . . . . 133 ALA HA . 16298 1 929 . 1 1 70 70 ALA HB1 H 1 1.55 0.02 . 1 . . . . 133 ALA HB . 16298 1 930 . 1 1 70 70 ALA HB2 H 1 1.55 0.02 . 1 . . . . 133 ALA HB . 16298 1 931 . 1 1 70 70 ALA HB3 H 1 1.55 0.02 . 1 . . . . 133 ALA HB . 16298 1 932 . 1 1 70 70 ALA C C 13 181.7 0.2 . 1 . . . . 133 ALA C . 16298 1 933 . 1 1 70 70 ALA CA C 13 55.7 0.2 . 1 . . . . 133 ALA CA . 16298 1 934 . 1 1 70 70 ALA CB C 13 18.5 0.2 . 1 . . . . 133 ALA CB . 16298 1 935 . 1 1 70 70 ALA N N 15 120.3 0.2 . 1 . . . . 133 ALA N . 16298 1 936 . 1 1 71 71 SER H H 1 7.96 0.02 . 1 . . . . 134 SER H . 16298 1 937 . 1 1 71 71 SER HA H 1 4.19 0.02 . 1 . . . . 134 SER HA . 16298 1 938 . 1 1 71 71 SER HB2 H 1 3.87 0.02 . 2 . . . . 134 SER HB2 . 16298 1 939 . 1 1 71 71 SER HB3 H 1 3.72 0.02 . 2 . . . . 134 SER HB3 . 16298 1 940 . 1 1 71 71 SER HG H 1 5.17 0.02 . 1 . . . . 134 SER HG . 16298 1 941 . 1 1 71 71 SER C C 13 174.6 0.2 . 1 . . . . 134 SER C . 16298 1 942 . 1 1 71 71 SER CA C 13 62.3 0.2 . 1 . . . . 134 SER CA . 16298 1 943 . 1 1 71 71 SER CB C 13 63.6 0.2 . 1 . . . . 134 SER CB . 16298 1 944 . 1 1 71 71 SER N N 15 112 0.2 . 1 . . . . 134 SER N . 16298 1 945 . 1 1 72 72 THR H H 1 8.41 0.02 . 1 . . . . 135 THR H . 16298 1 946 . 1 1 72 72 THR HA H 1 4.67 0.02 . 1 . . . . 135 THR HA . 16298 1 947 . 1 1 72 72 THR HB H 1 3.54 0.02 . 1 . . . . 135 THR HB . 16298 1 948 . 1 1 72 72 THR HG21 H 1 1.21 0.02 . 1 . . . . 135 THR HG2 . 16298 1 949 . 1 1 72 72 THR HG22 H 1 1.21 0.02 . 1 . . . . 135 THR HG2 . 16298 1 950 . 1 1 72 72 THR HG23 H 1 1.21 0.02 . 1 . . . . 135 THR HG2 . 16298 1 951 . 1 1 72 72 THR C C 13 176.9 0.2 . 1 . . . . 135 THR C . 16298 1 952 . 1 1 72 72 THR CA C 13 67.5 0.2 . 1 . . . . 135 THR CA . 16298 1 953 . 1 1 72 72 THR CB C 13 68.3 0.2 . 1 . . . . 135 THR CB . 16298 1 954 . 1 1 72 72 THR CG2 C 13 23.0 0.2 . 1 . . . . 135 THR CG2 . 16298 1 955 . 1 1 72 72 THR N N 15 119.2 0.2 . 1 . . . . 135 THR N . 16298 1 956 . 1 1 73 73 ASN H H 1 8.95 0.02 . 1 . . . . 136 ASN H . 16298 1 957 . 1 1 73 73 ASN HA H 1 4.47 0.02 . 1 . . . . 136 ASN HA . 16298 1 958 . 1 1 73 73 ASN HB2 H 1 3.08 0.02 . 2 . . . . 136 ASN HB2 . 16298 1 959 . 1 1 73 73 ASN HB3 H 1 2.84 0.02 . 2 . . . . 136 ASN HB3 . 16298 1 960 . 1 1 73 73 ASN HD21 H 1 7.63 0.02 . 1 . . . . 136 ASN HD21 . 16298 1 961 . 1 1 73 73 ASN HD22 H 1 6.58 0.02 . 1 . . . . 136 ASN HD22 . 16298 1 962 . 1 1 73 73 ASN C C 13 178.4 0.2 . 1 . . . . 136 ASN C . 16298 1 963 . 1 1 73 73 ASN CA C 13 56.0 0.2 . 1 . . . . 136 ASN CA . 16298 1 964 . 1 1 73 73 ASN CB C 13 37.0 0.2 . 1 . . . . 136 ASN CB . 16298 1 965 . 1 1 73 73 ASN CG C 13 175.5 0.2 . 1 . . . . 136 ASN CG . 16298 1 966 . 1 1 73 73 ASN N N 15 121 0.2 . 1 . . . . 136 ASN N . 16298 1 967 . 1 1 73 73 ASN ND2 N 15 109.0 0.2 . 1 . . . . 136 ASN ND2 . 16298 1 968 . 1 1 74 74 MET H H 1 7.3 0.02 . 1 . . . . 137 MET H . 16298 1 969 . 1 1 74 74 MET HA H 1 3.94 0.02 . 1 . . . . 137 MET HA . 16298 1 970 . 1 1 74 74 MET HB2 H 1 1.92 0.02 . 2 . . . . 137 MET HB2 . 16298 1 971 . 1 1 74 74 MET HB3 H 1 1.77 0.02 . 2 . . . . 137 MET HB3 . 16298 1 972 . 1 1 74 74 MET HE1 H 1 2.18 0.02 . 1 . . . . 137 MET HE . 16298 1 973 . 1 1 74 74 MET HE2 H 1 2.18 0.02 . 1 . . . . 137 MET HE . 16298 1 974 . 1 1 74 74 MET HE3 H 1 2.18 0.02 . 1 . . . . 137 MET HE . 16298 1 975 . 1 1 74 74 MET HG2 H 1 3.02 0.02 . 2 . . . . 137 MET HG2 . 16298 1 976 . 1 1 74 74 MET HG3 H 1 2.6 0.02 . 2 . . . . 137 MET HG3 . 16298 1 977 . 1 1 74 74 MET C C 13 178.4 0.2 . 1 . . . . 137 MET C . 16298 1 978 . 1 1 74 74 MET CA C 13 59.6 0.2 . 1 . . . . 137 MET CA . 16298 1 979 . 1 1 74 74 MET CB C 13 31.7 0.2 . 1 . . . . 137 MET CB . 16298 1 980 . 1 1 74 74 MET CE C 13 18.1 0.2 . 1 . . . . 137 MET CE . 16298 1 981 . 1 1 74 74 MET CG C 13 33.5 0.2 . 1 . . . . 137 MET CG . 16298 1 982 . 1 1 74 74 MET N N 15 118.9 0.2 . 1 . . . . 137 MET N . 16298 1 983 . 1 1 75 75 ILE H H 1 6.89 0.02 . 1 . . . . 138 ILE H . 16298 1 984 . 1 1 75 75 ILE HA H 1 2.89 0.02 . 1 . . . . 138 ILE HA . 16298 1 985 . 1 1 75 75 ILE HB H 1 1.54 0.02 . 1 . . . . 138 ILE HB . 16298 1 986 . 1 1 75 75 ILE HD11 H 1 0.59 0.02 . 1 . . . . 138 ILE HD1 . 16298 1 987 . 1 1 75 75 ILE HD12 H 1 0.59 0.02 . 1 . . . . 138 ILE HD1 . 16298 1 988 . 1 1 75 75 ILE HD13 H 1 0.59 0.02 . 1 . . . . 138 ILE HD1 . 16298 1 989 . 1 1 75 75 ILE HG12 H 1 0.79 0.02 . 2 . . . . 138 ILE HG12 . 16298 1 990 . 1 1 75 75 ILE HG13 H 1 0.27 0.02 . 2 . . . . 138 ILE HG13 . 16298 1 991 . 1 1 75 75 ILE HG21 H 1 0.09 0.02 . 1 . . . . 138 ILE HG2 . 16298 1 992 . 1 1 75 75 ILE HG22 H 1 0.09 0.02 . 1 . . . . 138 ILE HG2 . 16298 1 993 . 1 1 75 75 ILE HG23 H 1 0.09 0.02 . 1 . . . . 138 ILE HG2 . 16298 1 994 . 1 1 75 75 ILE C C 13 178 0.2 . 1 . . . . 138 ILE C . 16298 1 995 . 1 1 75 75 ILE CA C 13 65.1 0.2 . 1 . . . . 138 ILE CA . 16298 1 996 . 1 1 75 75 ILE CB C 13 36.7 0.2 . 1 . . . . 138 ILE CB . 16298 1 997 . 1 1 75 75 ILE CD1 C 13 14.4 0.2 . 1 . . . . 138 ILE CD1 . 16298 1 998 . 1 1 75 75 ILE CG1 C 13 28.8 0.2 . 1 . . . . 138 ILE CG1 . 16298 1 999 . 1 1 75 75 ILE CG2 C 13 17.1 0.2 . 1 . . . . 138 ILE CG2 . 16298 1 1000 . 1 1 75 75 ILE N N 15 120.9 0.2 . 1 . . . . 138 ILE N . 16298 1 1001 . 1 1 76 76 PHE H H 1 7.27 0.02 . 1 . . . . 139 PHE H . 16298 1 1002 . 1 1 76 76 PHE HA H 1 4.17 0.02 . 1 . . . . 139 PHE HA . 16298 1 1003 . 1 1 76 76 PHE HB2 H 1 3.12 0.02 . 1 . . . . 139 PHE HB2 . 16298 1 1004 . 1 1 76 76 PHE HB3 H 1 2.92 0.02 . 1 . . . . 139 PHE HB3 . 16298 1 1005 . 1 1 76 76 PHE HD1 H 1 6.74 0.02 . 3 . . . . 139 PHE HD1 . 16298 1 1006 . 1 1 76 76 PHE HD2 H 1 6.74 0.02 . 3 . . . . 139 PHE HD2 . 16298 1 1007 . 1 1 76 76 PHE HE1 H 1 6.54 0.02 . 3 . . . . 139 PHE HE1 . 16298 1 1008 . 1 1 76 76 PHE HE2 H 1 6.54 0.02 . 3 . . . . 139 PHE HE2 . 16298 1 1009 . 1 1 76 76 PHE HZ H 1 6.73 0.02 . 1 . . . . 139 PHE HZ . 16298 1 1010 . 1 1 76 76 PHE C C 13 177.3 0.2 . 1 . . . . 139 PHE C . 16298 1 1011 . 1 1 76 76 PHE CA C 13 62.3 0.2 . 1 . . . . 139 PHE CA . 16298 1 1012 . 1 1 76 76 PHE CB C 13 38.3 0.2 . 1 . . . . 139 PHE CB . 16298 1 1013 . 1 1 76 76 PHE CD1 C 13 131.8 0.02 . 3 . . . . 139 PHE CD1 . 16298 1 1014 . 1 1 76 76 PHE CD2 C 13 131.8 0.02 . 3 . . . . 139 PHE CD2 . 16298 1 1015 . 1 1 76 76 PHE CE1 C 13 130.6 0.02 . 3 . . . . 139 PHE CE1 . 16298 1 1016 . 1 1 76 76 PHE CE2 C 13 130.6 0.02 . 3 . . . . 139 PHE CE2 . 16298 1 1017 . 1 1 76 76 PHE CZ C 13 128.7 0.2 . 1 . . . . 139 PHE CZ . 16298 1 1018 . 1 1 76 76 PHE N N 15 116.5 0.2 . 1 . . . . 139 PHE N . 16298 1 1019 . 1 1 77 77 LYS H H 1 8.5 0.02 . 1 . . . . 140 LYS H . 16298 1 1020 . 1 1 77 77 LYS HA H 1 4.33 0.02 . 1 . . . . 140 LYS HA . 16298 1 1021 . 1 1 77 77 LYS HB2 H 1 2 0.02 . 2 . . . . 140 LYS HB2 . 16298 1 1022 . 1 1 77 77 LYS HB3 H 1 1.85 0.02 . 2 . . . . 140 LYS HB3 . 16298 1 1023 . 1 1 77 77 LYS HD2 H 1 1.61 0.02 . 2 . . . . 140 LYS HD2 . 16298 1 1024 . 1 1 77 77 LYS HD3 H 1 1.61 0.02 . 2 . . . . 140 LYS HD3 . 16298 1 1025 . 1 1 77 77 LYS HE2 H 1 3.05 0.02 . 2 . . . . 140 LYS HE2 . 16298 1 1026 . 1 1 77 77 LYS HE3 H 1 2.82 0.02 . 2 . . . . 140 LYS HE3 . 16298 1 1027 . 1 1 77 77 LYS HG2 H 1 1.57 0.02 . 2 . . . . 140 LYS HG2 . 16298 1 1028 . 1 1 77 77 LYS HG3 H 1 1.57 0.02 . 2 . . . . 140 LYS HG3 . 16298 1 1029 . 1 1 77 77 LYS C C 13 177.3 0.2 . 1 . . . . 140 LYS C . 16298 1 1030 . 1 1 77 77 LYS CA C 13 59.1 0.2 . 1 . . . . 140 LYS CA . 16298 1 1031 . 1 1 77 77 LYS CB C 13 32.3 0.2 . 1 . . . . 140 LYS CB . 16298 1 1032 . 1 1 77 77 LYS CD C 13 28.4 0.2 . 1 . . . . 140 LYS CD . 16298 1 1033 . 1 1 77 77 LYS CE C 13 41.9 0.2 . 1 . . . . 140 LYS CE . 16298 1 1034 . 1 1 77 77 LYS CG C 13 24.9 0.2 . 1 . . . . 140 LYS CG . 16298 1 1035 . 1 1 77 77 LYS N N 15 121.2 0.2 . 1 . . . . 140 LYS N . 16298 1 1036 . 1 1 78 78 TYR H H 1 7.94 0.02 . 1 . . . . 141 TYR H . 16298 1 1037 . 1 1 78 78 TYR HA H 1 4.57 0.02 . 1 . . . . 141 TYR HA . 16298 1 1038 . 1 1 78 78 TYR HB2 H 1 3.41 0.02 . 2 . . . . 141 TYR HB2 . 16298 1 1039 . 1 1 78 78 TYR HB3 H 1 3.23 0.02 . 2 . . . . 141 TYR HB3 . 16298 1 1040 . 1 1 78 78 TYR HD1 H 1 7.15 0.02 . 3 . . . . 141 TYR HD1 . 16298 1 1041 . 1 1 78 78 TYR HD2 H 1 7.15 0.02 . 3 . . . . 141 TYR HD2 . 16298 1 1042 . 1 1 78 78 TYR HE1 H 1 6.86 0.02 . 3 . . . . 141 TYR HE1 . 16298 1 1043 . 1 1 78 78 TYR HE2 H 1 6.86 0.02 . 3 . . . . 141 TYR HE2 . 16298 1 1044 . 1 1 78 78 TYR C C 13 178.7 0.2 . 1 . . . . 141 TYR C . 16298 1 1045 . 1 1 78 78 TYR CA C 13 61.2 0.2 . 1 . . . . 141 TYR CA . 16298 1 1046 . 1 1 78 78 TYR CB C 13 39 0.2 . 1 . . . . 141 TYR CB . 16298 1 1047 . 1 1 78 78 TYR CD1 C 13 133.3 0.02 . 3 . . . . 141 TYR CD1 . 16298 1 1048 . 1 1 78 78 TYR CD2 C 13 133.3 0.02 . 3 . . . . 141 TYR CD2 . 16298 1 1049 . 1 1 78 78 TYR CE1 C 13 118.3 0.02 . 3 . . . . 141 TYR CE1 . 16298 1 1050 . 1 1 78 78 TYR CE2 C 13 118.3 0.02 . 3 . . . . 141 TYR CE2 . 16298 1 1051 . 1 1 78 78 TYR N N 15 121.7 0.2 . 1 . . . . 141 TYR N . 16298 1 1052 . 1 1 79 79 ALA H H 1 8.51 0.02 . 1 . . . . 142 ALA H . 16298 1 1053 . 1 1 79 79 ALA HA H 1 3.74 0.02 . 1 . . . . 142 ALA HA . 16298 1 1054 . 1 1 79 79 ALA HB1 H 1 1.56 0.02 . 1 . . . . 142 ALA HB . 16298 1 1055 . 1 1 79 79 ALA HB2 H 1 1.56 0.02 . 1 . . . . 142 ALA HB . 16298 1 1056 . 1 1 79 79 ALA HB3 H 1 1.56 0.02 . 1 . . . . 142 ALA HB . 16298 1 1057 . 1 1 79 79 ALA C C 13 177.8 0.2 . 1 . . . . 142 ALA C . 16298 1 1058 . 1 1 79 79 ALA CA C 13 54.6 0.2 . 1 . . . . 142 ALA CA . 16298 1 1059 . 1 1 79 79 ALA CB C 13 18.7 0.2 . 1 . . . . 142 ALA CB . 16298 1 1060 . 1 1 79 79 ALA N N 15 123 0.2 . 1 . . . . 142 ALA N . 16298 1 1061 . 1 1 80 80 TYR H H 1 8.58 0.02 . 1 . . . . 143 TYR H . 16298 1 1062 . 1 1 80 80 TYR HA H 1 4.31 0.02 . 1 . . . . 143 TYR HA . 16298 1 1063 . 1 1 80 80 TYR HB2 H 1 3.35 0.02 . 2 . . . . 143 TYR HB2 . 16298 1 1064 . 1 1 80 80 TYR HB3 H 1 2.8 0.02 . 2 . . . . 143 TYR HB3 . 16298 1 1065 . 1 1 80 80 TYR HD1 H 1 6.93 0.02 . 3 . . . . 143 TYR HD1 . 16298 1 1066 . 1 1 80 80 TYR HD2 H 1 6.93 0.02 . 3 . . . . 143 TYR HD2 . 16298 1 1067 . 1 1 80 80 TYR HE1 H 1 6.79 0.02 . 3 . . . . 143 TYR HE1 . 16298 1 1068 . 1 1 80 80 TYR HE2 H 1 6.79 0.02 . 3 . . . . 143 TYR HE2 . 16298 1 1069 . 1 1 80 80 TYR C C 13 179.7 0.2 . 1 . . . . 143 TYR C . 16298 1 1070 . 1 1 80 80 TYR CA C 13 60.9 0.2 . 1 . . . . 143 TYR CA . 16298 1 1071 . 1 1 80 80 TYR CB C 13 39.4 0.2 . 1 . . . . 143 TYR CB . 16298 1 1072 . 1 1 80 80 TYR CD1 C 13 133.2 0.02 . 3 . . . . 143 TYR CD1 . 16298 1 1073 . 1 1 80 80 TYR CD2 C 13 133.2 0.02 . 3 . . . . 143 TYR CD2 . 16298 1 1074 . 1 1 80 80 TYR CE1 C 13 118.5 0.02 . 3 . . . . 143 TYR CE1 . 16298 1 1075 . 1 1 80 80 TYR CE2 C 13 118.5 0.02 . 3 . . . . 143 TYR CE2 . 16298 1 1076 . 1 1 80 80 TYR N N 15 122 0.2 . 1 . . . . 143 TYR N . 16298 1 1077 . 1 1 81 81 ASP H H 1 9.58 0.02 . 1 . . . . 144 ASP H . 16298 1 1078 . 1 1 81 81 ASP HA H 1 4.3 0.02 . 1 . . . . 144 ASP HA . 16298 1 1079 . 1 1 81 81 ASP HB2 H 1 2.85 0.02 . 2 . . . . 144 ASP HB2 . 16298 1 1080 . 1 1 81 81 ASP HB3 H 1 2.69 0.02 . 2 . . . . 144 ASP HB3 . 16298 1 1081 . 1 1 81 81 ASP C C 13 174.7 0.2 . 1 . . . . 144 ASP C . 16298 1 1082 . 1 1 81 81 ASP CA C 13 57.4 0.2 . 1 . . . . 144 ASP CA . 16298 1 1083 . 1 1 81 81 ASP CB C 13 40.0 0.2 . 1 . . . . 144 ASP CB . 16298 1 1084 . 1 1 81 81 ASP N N 15 124.3 0.2 . 1 . . . . 144 ASP N . 16298 1 1085 . 1 1 82 82 THR H H 1 7.62 0.02 . 1 . . . . 145 THR H . 16298 1 1086 . 1 1 82 82 THR HA H 1 4.22 0.02 . 1 . . . . 145 THR HA . 16298 1 1087 . 1 1 82 82 THR HB H 1 4.16 0.02 . 1 . . . . 145 THR HB . 16298 1 1088 . 1 1 82 82 THR HG21 H 1 0.87 0.02 . 1 . . . . 145 THR HG2 . 16298 1 1089 . 1 1 82 82 THR HG22 H 1 0.87 0.02 . 1 . . . . 145 THR HG2 . 16298 1 1090 . 1 1 82 82 THR HG23 H 1 0.87 0.02 . 1 . . . . 145 THR HG2 . 16298 1 1091 . 1 1 82 82 THR C C 13 173.2 0.2 . 1 . . . . 145 THR C . 16298 1 1092 . 1 1 82 82 THR CA C 13 61.5 0.2 . 1 . . . . 145 THR CA . 16298 1 1093 . 1 1 82 82 THR CB C 13 68.9 0.2 . 1 . . . . 145 THR CB . 16298 1 1094 . 1 1 82 82 THR CG2 C 13 21.4 0.2 . 1 . . . . 145 THR CG2 . 16298 1 1095 . 1 1 82 82 THR N N 15 108.1 0.2 . 1 . . . . 145 THR N . 16298 1 1096 . 1 1 83 83 ARG H H 1 7.66 0.02 . 1 . . . . 146 ARG H . 16298 1 1097 . 1 1 83 83 ARG HA H 1 3.88 0.02 . 1 . . . . 146 ARG HA . 16298 1 1098 . 1 1 83 83 ARG HB2 H 1 2.09 0.02 . 2 . . . . 146 ARG HB2 . 16298 1 1099 . 1 1 83 83 ARG HB3 H 1 1.91 0.02 . 2 . . . . 146 ARG HB3 . 16298 1 1100 . 1 1 83 83 ARG HD2 H 1 3.13 0.02 . 2 . . . . 146 ARG HD2 . 16298 1 1101 . 1 1 83 83 ARG HD3 H 1 3.06 0.02 . 2 . . . . 146 ARG HD3 . 16298 1 1102 . 1 1 83 83 ARG HG2 H 1 1.41 0.02 . 2 . . . . 146 ARG HG2 . 16298 1 1103 . 1 1 83 83 ARG HG3 H 1 1.41 0.02 . 2 . . . . 146 ARG HG3 . 16298 1 1104 . 1 1 83 83 ARG C C 13 176 0.2 . 1 . . . . 146 ARG C . 16298 1 1105 . 1 1 83 83 ARG CA C 13 57.2 0.2 . 1 . . . . 146 ARG CA . 16298 1 1106 . 1 1 83 83 ARG CB C 13 25.7 0.2 . 1 . . . . 146 ARG CB . 16298 1 1107 . 1 1 83 83 ARG CD C 13 43.1 0.2 . 1 . . . . 146 ARG CD . 16298 1 1108 . 1 1 83 83 ARG CG C 13 27.3 0.2 . 1 . . . . 146 ARG CG . 16298 1 1109 . 1 1 83 83 ARG N N 15 113.6 0.2 . 1 . . . . 146 ARG N . 16298 1 1110 . 1 1 84 84 LEU H H 1 8.75 0.02 . 1 . . . . 147 LEU H . 16298 1 1111 . 1 1 84 84 LEU HA H 1 4.19 0.02 . 1 . . . . 147 LEU HA . 16298 1 1112 . 1 1 84 84 LEU HB2 H 1 1.68 0.02 . 2 . . . . 147 LEU HB2 . 16298 1 1113 . 1 1 84 84 LEU HB3 H 1 1.38 0.02 . 2 . . . . 147 LEU HB3 . 16298 1 1114 . 1 1 84 84 LEU HD11 H 1 0.88 0.02 . 1 . . . . 147 LEU HD1 . 16298 1 1115 . 1 1 84 84 LEU HD12 H 1 0.88 0.02 . 1 . . . . 147 LEU HD1 . 16298 1 1116 . 1 1 84 84 LEU HD13 H 1 0.88 0.02 . 1 . . . . 147 LEU HD1 . 16298 1 1117 . 1 1 84 84 LEU HD21 H 1 0.81 0.02 . 1 . . . . 147 LEU HD2 . 16298 1 1118 . 1 1 84 84 LEU HD22 H 1 0.81 0.02 . 1 . . . . 147 LEU HD2 . 16298 1 1119 . 1 1 84 84 LEU HD23 H 1 0.81 0.02 . 1 . . . . 147 LEU HD2 . 16298 1 1120 . 1 1 84 84 LEU HG H 1 1.72 0.02 . 1 . . . . 147 LEU HG . 16298 1 1121 . 1 1 84 84 LEU C C 13 178.1 0.2 . 1 . . . . 147 LEU C . 16298 1 1122 . 1 1 84 84 LEU CA C 13 56.6 0.2 . 1 . . . . 147 LEU CA . 16298 1 1123 . 1 1 84 84 LEU CB C 13 43.2 0.2 . 1 . . . . 147 LEU CB . 16298 1 1124 . 1 1 84 84 LEU CD1 C 13 26.0 0.02 . 1 . . . . 147 LEU CD1 . 16298 1 1125 . 1 1 84 84 LEU CD2 C 13 22.2 0.02 . 1 . . . . 147 LEU CD2 . 16298 1 1126 . 1 1 84 84 LEU CG C 13 26.5 0.2 . 1 . . . . 147 LEU CG . 16298 1 1127 . 1 1 84 84 LEU N N 15 118.4 0.2 . 1 . . . . 147 LEU N . 16298 1 1128 . 1 1 85 85 ILE H H 1 6.93 0.02 . 1 . . . . 148 ILE H . 16298 1 1129 . 1 1 85 85 ILE HA H 1 4.78 0.02 . 1 . . . . 148 ILE HA . 16298 1 1130 . 1 1 85 85 ILE HB H 1 2.21 0.02 . 1 . . . . 148 ILE HB . 16298 1 1131 . 1 1 85 85 ILE HD11 H 1 1.14 0.02 . 1 . . . . 148 ILE HD1 . 16298 1 1132 . 1 1 85 85 ILE HD12 H 1 1.14 0.02 . 1 . . . . 148 ILE HD1 . 16298 1 1133 . 1 1 85 85 ILE HD13 H 1 1.14 0.02 . 1 . . . . 148 ILE HD1 . 16298 1 1134 . 1 1 85 85 ILE HG12 H 1 1.25 0.02 . 2 . . . . 148 ILE HG12 . 16298 1 1135 . 1 1 85 85 ILE HG13 H 1 1.13 0.02 . 2 . . . . 148 ILE HG13 . 16298 1 1136 . 1 1 85 85 ILE HG21 H 1 0.85 0.02 . 1 . . . . 148 ILE HG2 . 16298 1 1137 . 1 1 85 85 ILE HG22 H 1 0.85 0.02 . 1 . . . . 148 ILE HG2 . 16298 1 1138 . 1 1 85 85 ILE HG23 H 1 0.85 0.02 . 1 . . . . 148 ILE HG2 . 16298 1 1139 . 1 1 85 85 ILE C C 13 174.6 0.2 . 1 . . . . 148 ILE C . 16298 1 1140 . 1 1 85 85 ILE CA C 13 58.6 0.2 . 1 . . . . 148 ILE CA . 16298 1 1141 . 1 1 85 85 ILE CB C 13 41.3 0.2 . 1 . . . . 148 ILE CB . 16298 1 1142 . 1 1 85 85 ILE CD1 C 13 14.0 0.2 . 1 . . . . 148 ILE CD1 . 16298 1 1143 . 1 1 85 85 ILE CG1 C 13 24.3 0.2 . 1 . . . . 148 ILE CG1 . 16298 1 1144 . 1 1 85 85 ILE CG2 C 13 19.8 0.2 . 1 . . . . 148 ILE CG2 . 16298 1 1145 . 1 1 85 85 ILE N N 15 105.9 0.2 . 1 . . . . 148 ILE N . 16298 1 1146 . 1 1 86 86 LYS H H 1 8.98 0.02 . 1 . . . . 149 LYS H . 16298 1 1147 . 1 1 86 86 LYS HA H 1 4.31 0.02 . 1 . . . . 149 LYS HA . 16298 1 1148 . 1 1 86 86 LYS HB2 H 1 1.95 0.02 . 2 . . . . 149 LYS HB2 . 16298 1 1149 . 1 1 86 86 LYS HB3 H 1 1.73 0.02 . 2 . . . . 149 LYS HB3 . 16298 1 1150 . 1 1 86 86 LYS HD2 H 1 1.62 0.02 . 2 . . . . 149 LYS HD2 . 16298 1 1151 . 1 1 86 86 LYS HD3 H 1 1.62 0.02 . 2 . . . . 149 LYS HD3 . 16298 1 1152 . 1 1 86 86 LYS HE2 H 1 2.95 0.02 . 2 . . . . 149 LYS HE2 . 16298 1 1153 . 1 1 86 86 LYS HE3 H 1 2.95 0.02 . 2 . . . . 149 LYS HE3 . 16298 1 1154 . 1 1 86 86 LYS HG2 H 1 1.42 0.02 . 2 . . . . 149 LYS HG2 . 16298 1 1155 . 1 1 86 86 LYS HG3 H 1 1.39 0.02 . 2 . . . . 149 LYS HG3 . 16298 1 1156 . 1 1 86 86 LYS C C 13 175.6 0.2 . 1 . . . . 149 LYS C . 16298 1 1157 . 1 1 86 86 LYS CA C 13 56.4 0.2 . 1 . . . . 149 LYS CA . 16298 1 1158 . 1 1 86 86 LYS CB C 13 33.5 0.2 . 1 . . . . 149 LYS CB . 16298 1 1159 . 1 1 86 86 LYS CD C 13 29 0.2 . 1 . . . . 149 LYS CD . 16298 1 1160 . 1 1 86 86 LYS CE C 13 42 0.2 . 1 . . . . 149 LYS CE . 16298 1 1161 . 1 1 86 86 LYS CG C 13 25.0 0.2 . 1 . . . . 149 LYS CG . 16298 1 1162 . 1 1 86 86 LYS N N 15 119.4 0.2 . 1 . . . . 149 LYS N . 16298 1 1163 . 1 1 87 87 ALA H H 1 7.48 0.02 . 1 . . . . 150 ALA H . 16298 1 1164 . 1 1 87 87 ALA HA H 1 4.53 0.02 . 1 . . . . 150 ALA HA . 16298 1 1165 . 1 1 87 87 ALA HB1 H 1 1.29 0.02 . 1 . . . . 150 ALA HB . 16298 1 1166 . 1 1 87 87 ALA HB2 H 1 1.29 0.02 . 1 . . . . 150 ALA HB . 16298 1 1167 . 1 1 87 87 ALA HB3 H 1 1.29 0.02 . 1 . . . . 150 ALA HB . 16298 1 1168 . 1 1 87 87 ALA C C 13 176.2 0.2 . 1 . . . . 150 ALA C . 16298 1 1169 . 1 1 87 87 ALA CA C 13 50.9 0.2 . 1 . . . . 150 ALA CA . 16298 1 1170 . 1 1 87 87 ALA CB C 13 21.5 0.2 . 1 . . . . 150 ALA CB . 16298 1 1171 . 1 1 87 87 ALA N N 15 119.6 0.2 . 1 . . . . 150 ALA N . 16298 1 1172 . 1 1 88 88 MET H H 1 9.04 0.02 . 1 . . . . 151 MET H . 16298 1 1173 . 1 1 88 88 MET HA H 1 4.52 0.02 . 1 . . . . 151 MET HA . 16298 1 1174 . 1 1 88 88 MET HB2 H 1 1.84 0.02 . 2 . . . . 151 MET HB2 . 16298 1 1175 . 1 1 88 88 MET HB3 H 1 1.73 0.02 . 2 . . . . 151 MET HB3 . 16298 1 1176 . 1 1 88 88 MET HE1 H 1 1.70 0.02 . 1 . . . . 151 MET HE . 16298 1 1177 . 1 1 88 88 MET HE2 H 1 1.70 0.02 . 1 . . . . 151 MET HE . 16298 1 1178 . 1 1 88 88 MET HE3 H 1 1.70 0.02 . 1 . . . . 151 MET HE . 16298 1 1179 . 1 1 88 88 MET HG2 H 1 2.03 0.02 . 2 . . . . 151 MET HG2 . 16298 1 1180 . 1 1 88 88 MET HG3 H 1 2.03 0.02 . 2 . . . . 151 MET HG3 . 16298 1 1181 . 1 1 88 88 MET CA C 13 52.7 0.2 . 1 . . . . 151 MET CA . 16298 1 1182 . 1 1 88 88 MET CB C 13 33.3 0.2 . 1 . . . . 151 MET CB . 16298 1 1183 . 1 1 88 88 MET CE C 13 16.5 0.2 . 1 . . . . 151 MET CE . 16298 1 1184 . 1 1 88 88 MET CG C 13 32.1 0.2 . 1 . . . . 151 MET CG . 16298 1 1185 . 1 1 88 88 MET N N 15 120.8 0.2 . 1 . . . . 151 MET N . 16298 1 1186 . 1 1 89 89 PRO HA H 1 4.2 0.02 . 1 . . . . 152 PRO HA . 16298 1 1187 . 1 1 89 89 PRO HB2 H 1 1.69 0.02 . 2 . . . . 152 PRO HB2 . 16298 1 1188 . 1 1 89 89 PRO HB3 H 1 1.09 0.02 . 2 . . . . 152 PRO HB3 . 16298 1 1189 . 1 1 89 89 PRO HD2 H 1 3.68 0.02 . 2 . . . . 152 PRO HD2 . 16298 1 1190 . 1 1 89 89 PRO HD3 H 1 2.75 0.02 . 2 . . . . 152 PRO HD3 . 16298 1 1191 . 1 1 89 89 PRO HG2 H 1 1.12 0.02 . 2 . . . . 152 PRO HG2 . 16298 1 1192 . 1 1 89 89 PRO HG3 H 1 0.16 0.02 . 2 . . . . 152 PRO HG3 . 16298 1 1193 . 1 1 89 89 PRO C C 13 172.6 0.2 . 1 . . . . 152 PRO C . 16298 1 1194 . 1 1 89 89 PRO CA C 13 63.9 0.2 . 1 . . . . 152 PRO CA . 16298 1 1195 . 1 1 89 89 PRO CB C 13 31 0.2 . 1 . . . . 152 PRO CB . 16298 1 1196 . 1 1 89 89 PRO CD C 13 50.5 0.2 . 1 . . . . 152 PRO CD . 16298 1 1197 . 1 1 89 89 PRO CG C 13 25.9 0.2 . 1 . . . . 152 PRO CG . 16298 1 1198 . 1 1 90 90 SER H H 1 6.33 0.02 . 1 . . . . 153 SER H . 16298 1 1199 . 1 1 90 90 SER HA H 1 3.92 0.02 . 1 . . . . 153 SER HA . 16298 1 1200 . 1 1 90 90 SER HB2 H 1 3.93 0.02 . 2 . . . . 153 SER HB2 . 16298 1 1201 . 1 1 90 90 SER HB3 H 1 3.12 0.02 . 2 . . . . 153 SER HB3 . 16298 1 1202 . 1 1 90 90 SER C C 13 175.1 0.2 . 1 . . . . 153 SER C . 16298 1 1203 . 1 1 90 90 SER CA C 13 57.1 0.2 . 1 . . . . 153 SER CA . 16298 1 1204 . 1 1 90 90 SER CB C 13 63.6 0.2 . 1 . . . . 153 SER CB . 16298 1 1205 . 1 1 90 90 SER N N 15 104.5 0.2 . 1 . . . . 153 SER N . 16298 1 1206 . 1 1 91 91 GLU H H 1 7.08 0.02 . 1 . . . . 154 GLU H . 16298 1 1207 . 1 1 91 91 GLU HA H 1 4.11 0.02 . 1 . . . . 154 GLU HA . 16298 1 1208 . 1 1 91 91 GLU HB2 H 1 1.94 0.02 . 1 . . . . 154 GLU HB2 . 16298 1 1209 . 1 1 91 91 GLU HB3 H 1 1.86 0.02 . 1 . . . . 154 GLU HB3 . 16298 1 1210 . 1 1 91 91 GLU HG2 H 1 2.18 0.02 . 2 . . . . 154 GLU HG2 . 16298 1 1211 . 1 1 91 91 GLU HG3 H 1 2.1 0.02 . 2 . . . . 154 GLU HG3 . 16298 1 1212 . 1 1 91 91 GLU C C 13 176.7 0.2 . 1 . . . . 154 GLU C . 16298 1 1213 . 1 1 91 91 GLU CA C 13 56.8 0.2 . 1 . . . . 154 GLU CA . 16298 1 1214 . 1 1 91 91 GLU CB C 13 30 0.2 . 1 . . . . 154 GLU CB . 16298 1 1215 . 1 1 91 91 GLU CG C 13 36.2 0.2 . 1 . . . . 154 GLU CG . 16298 1 1216 . 1 1 91 91 GLU N N 15 123.6 0.2 . 1 . . . . 154 GLU N . 16298 1 1217 . 1 1 92 92 GLY H H 1 8.76 0.02 . 1 . . . . 155 GLY H . 16298 1 1218 . 1 1 92 92 GLY HA2 H 1 3.96 0.02 . 2 . . . . 155 GLY HA2 . 16298 1 1219 . 1 1 92 92 GLY HA3 H 1 3.77 0.02 . 2 . . . . 155 GLY HA3 . 16298 1 1220 . 1 1 92 92 GLY C C 13 174.7 0.2 . 1 . . . . 155 GLY C . 16298 1 1221 . 1 1 92 92 GLY CA C 13 45.7 0.2 . 1 . . . . 155 GLY CA . 16298 1 1222 . 1 1 92 92 GLY N N 15 112.6 0.2 . 1 . . . . 155 GLY N . 16298 1 1223 . 1 1 93 93 ILE H H 1 7.24 0.02 . 1 . . . . 156 ILE H . 16298 1 1224 . 1 1 93 93 ILE HA H 1 4.07 0.02 . 1 . . . . 156 ILE HA . 16298 1 1225 . 1 1 93 93 ILE HB H 1 1.89 0.02 . 1 . . . . 156 ILE HB . 16298 1 1226 . 1 1 93 93 ILE HD11 H 1 0.73 0.02 . 1 . . . . 156 ILE HD1 . 16298 1 1227 . 1 1 93 93 ILE HD12 H 1 0.73 0.02 . 1 . . . . 156 ILE HD1 . 16298 1 1228 . 1 1 93 93 ILE HD13 H 1 0.73 0.02 . 1 . . . . 156 ILE HD1 . 16298 1 1229 . 1 1 93 93 ILE HG12 H 1 1.67 0.02 . 2 . . . . 156 ILE HG12 . 16298 1 1230 . 1 1 93 93 ILE HG13 H 1 1.32 0.02 . 2 . . . . 156 ILE HG13 . 16298 1 1231 . 1 1 93 93 ILE HG21 H 1 0.78 0.02 . 1 . . . . 156 ILE HG2 . 16298 1 1232 . 1 1 93 93 ILE HG22 H 1 0.78 0.02 . 1 . . . . 156 ILE HG2 . 16298 1 1233 . 1 1 93 93 ILE HG23 H 1 0.78 0.02 . 1 . . . . 156 ILE HG2 . 16298 1 1234 . 1 1 93 93 ILE C C 13 175.8 0.2 . 1 . . . . 156 ILE C . 16298 1 1235 . 1 1 93 93 ILE CA C 13 59.8 0.2 . 1 . . . . 156 ILE CA . 16298 1 1236 . 1 1 93 93 ILE CB C 13 37.9 0.2 . 1 . . . . 156 ILE CB . 16298 1 1237 . 1 1 93 93 ILE CD1 C 13 11.9 0.2 . 1 . . . . 156 ILE CD1 . 16298 1 1238 . 1 1 93 93 ILE CG1 C 13 27.2 0.2 . 1 . . . . 156 ILE CG1 . 16298 1 1239 . 1 1 93 93 ILE CG2 C 13 17.8 0.2 . 1 . . . . 156 ILE CG2 . 16298 1 1240 . 1 1 93 93 ILE N N 15 119.6 0.2 . 1 . . . . 156 ILE N . 16298 1 1241 . 1 1 94 94 LYS H H 1 9.12 0.02 . 1 . . . . 157 LYS H . 16298 1 1242 . 1 1 94 94 LYS HA H 1 4.46 0.02 . 1 . . . . 157 LYS HA . 16298 1 1243 . 1 1 94 94 LYS HB2 H 1 1.72 0.02 . 2 . . . . 157 LYS HB2 . 16298 1 1244 . 1 1 94 94 LYS HB3 H 1 1.67 0.02 . 2 . . . . 157 LYS HB3 . 16298 1 1245 . 1 1 94 94 LYS HD2 H 1 1.68 0.02 . 2 . . . . 157 LYS HD2 . 16298 1 1246 . 1 1 94 94 LYS HD3 H 1 1.68 0.02 . 2 . . . . 157 LYS HD3 . 16298 1 1247 . 1 1 94 94 LYS HE2 H 1 2.94 0.02 . 2 . . . . 157 LYS HE2 . 16298 1 1248 . 1 1 94 94 LYS HE3 H 1 2.94 0.02 . 2 . . . . 157 LYS HE3 . 16298 1 1249 . 1 1 94 94 LYS HG2 H 1 1.42 0.02 . 2 . . . . 157 LYS HG2 . 16298 1 1250 . 1 1 94 94 LYS HG3 H 1 1.35 0.02 . 2 . . . . 157 LYS HG3 . 16298 1 1251 . 1 1 94 94 LYS C C 13 176.1 0.2 . 1 . . . . 157 LYS C . 16298 1 1252 . 1 1 94 94 LYS CA C 13 55.2 0.2 . 1 . . . . 157 LYS CA . 16298 1 1253 . 1 1 94 94 LYS CB C 13 33.9 0.2 . 1 . . . . 157 LYS CB . 16298 1 1254 . 1 1 94 94 LYS CD C 13 29 0.2 . 1 . . . . 157 LYS CD . 16298 1 1255 . 1 1 94 94 LYS CE C 13 42.2 0.2 . 1 . . . . 157 LYS CE . 16298 1 1256 . 1 1 94 94 LYS CG C 13 24.3 0.2 . 1 . . . . 157 LYS CG . 16298 1 1257 . 1 1 94 94 LYS N N 15 127.4 0.2 . 1 . . . . 157 LYS N . 16298 1 1258 . 1 1 95 95 ARG H H 1 8.52 0.02 . 1 . . . . 158 ARG H . 16298 1 1259 . 1 1 95 95 ARG HA H 1 4.58 0.02 . 1 . . . . 158 ARG HA . 16298 1 1260 . 1 1 95 95 ARG HB2 H 1 1.8 0.02 . 2 . . . . 158 ARG HB2 . 16298 1 1261 . 1 1 95 95 ARG HB3 H 1 1.67 0.02 . 2 . . . . 158 ARG HB3 . 16298 1 1262 . 1 1 95 95 ARG HD2 H 1 3.06 0.02 . 2 . . . . 158 ARG HD2 . 16298 1 1263 . 1 1 95 95 ARG HD3 H 1 3.06 0.02 . 2 . . . . 158 ARG HD3 . 16298 1 1264 . 1 1 95 95 ARG HG2 H 1 1.66 0.02 . 2 . . . . 158 ARG HG2 . 16298 1 1265 . 1 1 95 95 ARG HG3 H 1 1.46 0.02 . 2 . . . . 158 ARG HG3 . 16298 1 1266 . 1 1 95 95 ARG CA C 13 52.5 0.2 . 1 . . . . 158 ARG CA . 16298 1 1267 . 1 1 95 95 ARG CB C 13 29.7 0.2 . 1 . . . . 158 ARG CB . 16298 1 1268 . 1 1 95 95 ARG CD C 13 42.1 0.2 . 1 . . . . 158 ARG CD . 16298 1 1269 . 1 1 95 95 ARG CG C 13 26.5 0.2 . 1 . . . . 158 ARG CG . 16298 1 1270 . 1 1 95 95 ARG N N 15 123.3 0.2 . 1 . . . . 158 ARG N . 16298 1 1271 . 1 1 96 96 PRO HA H 1 4.38 0.02 . 1 . . . . 159 PRO HA . 16298 1 1272 . 1 1 96 96 PRO HB2 H 1 2.26 0.02 . 2 . . . . 159 PRO HB2 . 16298 1 1273 . 1 1 96 96 PRO HB3 H 1 1.82 0.02 . 2 . . . . 159 PRO HB3 . 16298 1 1274 . 1 1 96 96 PRO HD2 H 1 3.79 0.02 . 2 . . . . 159 PRO HD2 . 16298 1 1275 . 1 1 96 96 PRO HD3 H 1 3.63 0.02 . 2 . . . . 159 PRO HD3 . 16298 1 1276 . 1 1 96 96 PRO HG2 H 1 2 0.02 . 2 . . . . 159 PRO HG2 . 16298 1 1277 . 1 1 96 96 PRO HG3 H 1 2 0.02 . 2 . . . . 159 PRO HG3 . 16298 1 1278 . 1 1 96 96 PRO C C 13 176.7 0.2 . 1 . . . . 159 PRO C . 16298 1 1279 . 1 1 96 96 PRO CA C 13 62.9 0.2 . 1 . . . . 159 PRO CA . 16298 1 1280 . 1 1 96 96 PRO CB C 13 32.4 0.2 . 1 . . . . 159 PRO CB . 16298 1 1281 . 1 1 96 96 PRO CD C 13 50.7 0.2 . 1 . . . . 159 PRO CD . 16298 1 1282 . 1 1 96 96 PRO CG C 13 27.6 0.2 . 1 . . . . 159 PRO CG . 16298 1 1283 . 1 1 97 97 LYS H H 1 8.46 0.02 . 1 . . . . 160 LYS H . 16298 1 1284 . 1 1 97 97 LYS HA H 1 4.28 0.02 . 1 . . . . 160 LYS HA . 16298 1 1285 . 1 1 97 97 LYS HB2 H 1 1.73 0.02 . 2 . . . . 160 LYS HB2 . 16298 1 1286 . 1 1 97 97 LYS HB3 H 1 1.73 0.02 . 2 . . . . 160 LYS HB3 . 16298 1 1287 . 1 1 97 97 LYS HD2 H 1 1.68 0.02 . 2 . . . . 160 LYS HD2 . 16298 1 1288 . 1 1 97 97 LYS HD3 H 1 1.68 0.02 . 2 . . . . 160 LYS HD3 . 16298 1 1289 . 1 1 97 97 LYS HE2 H 1 2.99 0.02 . 2 . . . . 160 LYS HE2 . 16298 1 1290 . 1 1 97 97 LYS HE3 H 1 2.99 0.02 . 2 . . . . 160 LYS HE3 . 16298 1 1291 . 1 1 97 97 LYS HG2 H 1 1.57 0.02 . 2 . . . . 160 LYS HG2 . 16298 1 1292 . 1 1 97 97 LYS HG3 H 1 1.42 0.02 . 2 . . . . 160 LYS HG3 . 16298 1 1293 . 1 1 97 97 LYS C C 13 176.5 0.2 . 1 . . . . 160 LYS C . 16298 1 1294 . 1 1 97 97 LYS CA C 13 56.1 0.2 . 1 . . . . 160 LYS CA . 16298 1 1295 . 1 1 97 97 LYS CB C 13 33.5 0.2 . 1 . . . . 160 LYS CB . 16298 1 1296 . 1 1 97 97 LYS CD C 13 29.2 0.2 . 1 . . . . 160 LYS CD . 16298 1 1297 . 1 1 97 97 LYS CE C 13 42.2 0.2 . 1 . . . . 160 LYS CE . 16298 1 1298 . 1 1 97 97 LYS CG C 13 24.8 0.2 . 1 . . . . 160 LYS CG . 16298 1 1299 . 1 1 97 97 LYS N N 15 122.3 0.2 . 1 . . . . 160 LYS N . 16298 1 1300 . 1 1 98 98 LYS H H 1 8.31 0.02 . 1 . . . . 161 LYS H . 16298 1 1301 . 1 1 98 98 LYS HA H 1 4.28 0.02 . 1 . . . . 161 LYS HA . 16298 1 1302 . 1 1 98 98 LYS HB2 H 1 1.74 0.02 . 2 . . . . 161 LYS HB2 . 16298 1 1303 . 1 1 98 98 LYS HB3 H 1 1.74 0.02 . 2 . . . . 161 LYS HB3 . 16298 1 1304 . 1 1 98 98 LYS HD2 H 1 1.66 0.02 . 2 . . . . 161 LYS HD2 . 16298 1 1305 . 1 1 98 98 LYS HD3 H 1 1.66 0.02 . 2 . . . . 161 LYS HD3 . 16298 1 1306 . 1 1 98 98 LYS HE2 H 1 2.94 0.02 . 2 . . . . 161 LYS HE2 . 16298 1 1307 . 1 1 98 98 LYS HE3 H 1 2.94 0.02 . 2 . . . . 161 LYS HE3 . 16298 1 1308 . 1 1 98 98 LYS HG2 H 1 1.41 0.02 . 2 . . . . 161 LYS HG2 . 16298 1 1309 . 1 1 98 98 LYS HG3 H 1 1.41 0.02 . 2 . . . . 161 LYS HG3 . 16298 1 1310 . 1 1 98 98 LYS C C 13 176.3 0.2 . 1 . . . . 161 LYS C . 16298 1 1311 . 1 1 98 98 LYS CA C 13 56.1 0.2 . 1 . . . . 161 LYS CA . 16298 1 1312 . 1 1 98 98 LYS CB C 13 33.4 0.2 . 1 . . . . 161 LYS CB . 16298 1 1313 . 1 1 98 98 LYS CD C 13 29.1 0.2 . 1 . . . . 161 LYS CD . 16298 1 1314 . 1 1 98 98 LYS CE C 13 42.1 0.2 . 1 . . . . 161 LYS CE . 16298 1 1315 . 1 1 98 98 LYS CG C 13 24.4 0.2 . 1 . . . . 161 LYS CG . 16298 1 1316 . 1 1 98 98 LYS N N 15 123.6 0.2 . 1 . . . . 161 LYS N . 16298 1 1317 . 1 1 99 99 LYS H H 1 8.47 0.02 . 1 . . . . 162 LYS H . 16298 1 1318 . 1 1 99 99 LYS HA H 1 4.3 0.02 . 1 . . . . 162 LYS HA . 16298 1 1319 . 1 1 99 99 LYS HB2 H 1 1.78 0.02 . 2 . . . . 162 LYS HB2 . 16298 1 1320 . 1 1 99 99 LYS HB3 H 1 1.73 0.02 . 2 . . . . 162 LYS HB3 . 16298 1 1321 . 1 1 99 99 LYS HD2 H 1 1.68 0.02 . 2 . . . . 162 LYS HD2 . 16298 1 1322 . 1 1 99 99 LYS HD3 H 1 1.68 0.02 . 2 . . . . 162 LYS HD3 . 16298 1 1323 . 1 1 99 99 LYS HE2 H 1 2.99 0.02 . 2 . . . . 162 LYS HE2 . 16298 1 1324 . 1 1 99 99 LYS HE3 H 1 2.99 0.02 . 2 . . . . 162 LYS HE3 . 16298 1 1325 . 1 1 99 99 LYS HG2 H 1 1.42 0.02 . 2 . . . . 162 LYS HG2 . 16298 1 1326 . 1 1 99 99 LYS HG3 H 1 1.42 0.02 . 2 . . . . 162 LYS HG3 . 16298 1 1327 . 1 1 99 99 LYS C C 13 176.4 0.2 . 1 . . . . 162 LYS C . 16298 1 1328 . 1 1 99 99 LYS CA C 13 56.3 0.2 . 1 . . . . 162 LYS CA . 16298 1 1329 . 1 1 99 99 LYS CB C 13 33.4 0.2 . 1 . . . . 162 LYS CB . 16298 1 1330 . 1 1 99 99 LYS CD C 13 29.2 0.2 . 1 . . . . 162 LYS CD . 16298 1 1331 . 1 1 99 99 LYS CE C 13 42.1 0.2 . 1 . . . . 162 LYS CE . 16298 1 1332 . 1 1 99 99 LYS CG C 13 24.5 0.2 . 1 . . . . 162 LYS CG . 16298 1 1333 . 1 1 99 99 LYS N N 15 124.7 0.2 . 1 . . . . 162 LYS N . 16298 1 1334 . 1 1 100 100 VAL H H 1 8.27 0.02 . 1 . . . . 163 VAL H . 16298 1 1335 . 1 1 100 100 VAL HA H 1 4.12 0.02 . 1 . . . . 163 VAL HA . 16298 1 1336 . 1 1 100 100 VAL HB H 1 2.05 0.02 . 1 . . . . 163 VAL HB . 16298 1 1337 . 1 1 100 100 VAL HG11 H 1 0.91 0.02 . 2 . . . . 163 VAL HG1 . 16298 1 1338 . 1 1 100 100 VAL HG12 H 1 0.91 0.02 . 2 . . . . 163 VAL HG1 . 16298 1 1339 . 1 1 100 100 VAL HG13 H 1 0.91 0.02 . 2 . . . . 163 VAL HG1 . 16298 1 1340 . 1 1 100 100 VAL HG21 H 1 0.91 0.02 . 2 . . . . 163 VAL HG2 . 16298 1 1341 . 1 1 100 100 VAL HG22 H 1 0.91 0.02 . 2 . . . . 163 VAL HG2 . 16298 1 1342 . 1 1 100 100 VAL HG23 H 1 0.91 0.02 . 2 . . . . 163 VAL HG2 . 16298 1 1343 . 1 1 100 100 VAL C C 13 176 0.2 . 1 . . . . 163 VAL C . 16298 1 1344 . 1 1 100 100 VAL CA C 13 62.3 0.2 . 1 . . . . 163 VAL CA . 16298 1 1345 . 1 1 100 100 VAL CB C 13 33 0.2 . 1 . . . . 163 VAL CB . 16298 1 1346 . 1 1 100 100 VAL CG1 C 13 20.5 0.02 . 2 . . . . 163 VAL CG1 . 16298 1 1347 . 1 1 100 100 VAL CG2 C 13 20.5 0.02 . 2 . . . . 163 VAL CG2 . 16298 1 1348 . 1 1 100 100 VAL N N 15 122.5 0.2 . 1 . . . . 163 VAL N . 16298 1 1349 . 1 1 101 101 SER H H 1 8.41 0.02 . 1 . . . . 164 SER H . 16298 1 1350 . 1 1 101 101 SER HA H 1 4.49 0.02 . 1 . . . . 164 SER HA . 16298 1 1351 . 1 1 101 101 SER HB2 H 1 3.83 0.02 . 2 . . . . 164 SER HB2 . 16298 1 1352 . 1 1 101 101 SER HB3 H 1 3.83 0.02 . 2 . . . . 164 SER HB3 . 16298 1 1353 . 1 1 101 101 SER C C 13 174.5 0.2 . 1 . . . . 164 SER C . 16298 1 1354 . 1 1 101 101 SER CA C 13 58.1 0.2 . 1 . . . . 164 SER CA . 16298 1 1355 . 1 1 101 101 SER CB C 13 63.7 0.2 . 1 . . . . 164 SER CB . 16298 1 1356 . 1 1 101 101 SER N N 15 120.1 0.2 . 1 . . . . 164 SER N . 16298 1 1357 . 1 1 102 102 VAL H H 1 8.21 0.02 . 1 . . . . 165 VAL H . 16298 1 1358 . 1 1 102 102 VAL HA H 1 4.11 0.02 . 1 . . . . 165 VAL HA . 16298 1 1359 . 1 1 102 102 VAL HB H 1 2.07 0.02 . 1 . . . . 165 VAL HB . 16298 1 1360 . 1 1 102 102 VAL HG11 H 1 0.91 0.02 . 2 . . . . 165 VAL HG1 . 16298 1 1361 . 1 1 102 102 VAL HG12 H 1 0.91 0.02 . 2 . . . . 165 VAL HG1 . 16298 1 1362 . 1 1 102 102 VAL HG13 H 1 0.91 0.02 . 2 . . . . 165 VAL HG1 . 16298 1 1363 . 1 1 102 102 VAL HG21 H 1 0.91 0.02 . 2 . . . . 165 VAL HG2 . 16298 1 1364 . 1 1 102 102 VAL HG22 H 1 0.91 0.02 . 2 . . . . 165 VAL HG2 . 16298 1 1365 . 1 1 102 102 VAL HG23 H 1 0.91 0.02 . 2 . . . . 165 VAL HG2 . 16298 1 1366 . 1 1 102 102 VAL C C 13 176.1 0.2 . 1 . . . . 165 VAL C . 16298 1 1367 . 1 1 102 102 VAL CA C 13 62.3 0.2 . 1 . . . . 165 VAL CA . 16298 1 1368 . 1 1 102 102 VAL CB C 13 32.8 0.2 . 1 . . . . 165 VAL CB . 16298 1 1369 . 1 1 102 102 VAL CG1 C 13 20.8 0.02 . 2 . . . . 165 VAL CG1 . 16298 1 1370 . 1 1 102 102 VAL CG2 C 13 20.2 0.02 . 2 . . . . 165 VAL CG2 . 16298 1 1371 . 1 1 102 102 VAL N N 15 122.1 0.2 . 1 . . . . 165 VAL N . 16298 1 1372 . 1 1 103 103 GLU H H 1 8.47 0.02 . 1 . . . . 166 GLU H . 16298 1 1373 . 1 1 103 103 GLU HA H 1 4.25 0.02 . 1 . . . . 166 GLU HA . 16298 1 1374 . 1 1 103 103 GLU HB2 H 1 2 0.02 . 2 . . . . 166 GLU HB2 . 16298 1 1375 . 1 1 103 103 GLU HB3 H 1 1.89 0.02 . 2 . . . . 166 GLU HB3 . 16298 1 1376 . 1 1 103 103 GLU HG2 H 1 2.24 0.02 . 2 . . . . 166 GLU HG2 . 16298 1 1377 . 1 1 103 103 GLU HG3 H 1 2.24 0.02 . 2 . . . . 166 GLU HG3 . 16298 1 1378 . 1 1 103 103 GLU C C 13 176.4 0.2 . 1 . . . . 166 GLU C . 16298 1 1379 . 1 1 103 103 GLU CA C 13 56.4 0.2 . 1 . . . . 166 GLU CA . 16298 1 1380 . 1 1 103 103 GLU CB C 13 30.0 0.2 . 1 . . . . 166 GLU CB . 16298 1 1381 . 1 1 103 103 GLU CG C 13 36 0.2 . 1 . . . . 166 GLU CG . 16298 1 1382 . 1 1 103 103 GLU N N 15 124.1 0.2 . 1 . . . . 166 GLU N . 16298 1 1383 . 1 1 104 104 LEU H H 1 8.23 0.02 . 1 . . . . 167 LEU H . 16298 1 1384 . 1 1 104 104 LEU HA H 1 4.25 0.02 . 1 . . . . 167 LEU HA . 16298 1 1385 . 1 1 104 104 LEU HB2 H 1 1.57 0.02 . 2 . . . . 167 LEU HB2 . 16298 1 1386 . 1 1 104 104 LEU HB3 H 1 1.48 0.02 . 2 . . . . 167 LEU HB3 . 16298 1 1387 . 1 1 104 104 LEU HD11 H 1 0.87 0.02 . 1 . . . . 167 LEU HD1 . 16298 1 1388 . 1 1 104 104 LEU HD12 H 1 0.87 0.02 . 1 . . . . 167 LEU HD1 . 16298 1 1389 . 1 1 104 104 LEU HD13 H 1 0.87 0.02 . 1 . . . . 167 LEU HD1 . 16298 1 1390 . 1 1 104 104 LEU HD21 H 1 0.81 0.02 . 1 . . . . 167 LEU HD2 . 16298 1 1391 . 1 1 104 104 LEU HD22 H 1 0.81 0.02 . 1 . . . . 167 LEU HD2 . 16298 1 1392 . 1 1 104 104 LEU HD23 H 1 0.81 0.02 . 1 . . . . 167 LEU HD2 . 16298 1 1393 . 1 1 104 104 LEU HG H 1 1.58 0.02 . 1 . . . . 167 LEU HG . 16298 1 1394 . 1 1 104 104 LEU C C 13 177.4 0.2 . 1 . . . . 167 LEU C . 16298 1 1395 . 1 1 104 104 LEU CA C 13 55.2 0.2 . 1 . . . . 167 LEU CA . 16298 1 1396 . 1 1 104 104 LEU CB C 13 42.3 0.2 . 1 . . . . 167 LEU CB . 16298 1 1397 . 1 1 104 104 LEU CD1 C 13 24.9 0.02 . 1 . . . . 167 LEU CD1 . 16298 1 1398 . 1 1 104 104 LEU CD2 C 13 23.3 0.02 . 1 . . . . 167 LEU CD2 . 16298 1 1399 . 1 1 104 104 LEU CG C 13 27.0 0.2 . 1 . . . . 167 LEU CG . 16298 1 1400 . 1 1 104 104 LEU N N 15 123.1 0.2 . 1 . . . . 167 LEU N . 16298 1 1401 . 1 1 105 105 GLU H H 1 8.27 0.02 . 1 . . . . 168 GLU H . 16298 1 1402 . 1 1 105 105 GLU HA H 1 4.14 0.02 . 1 . . . . 168 GLU HA . 16298 1 1403 . 1 1 105 105 GLU HB2 H 1 1.86 0.02 . 2 . . . . 168 GLU HB2 . 16298 1 1404 . 1 1 105 105 GLU HB3 H 1 1.86 0.02 . 2 . . . . 168 GLU HB3 . 16298 1 1405 . 1 1 105 105 GLU HG2 H 1 2.14 0.02 . 2 . . . . 168 GLU HG2 . 16298 1 1406 . 1 1 105 105 GLU HG3 H 1 2.14 0.02 . 2 . . . . 168 GLU HG3 . 16298 1 1407 . 1 1 105 105 GLU C C 13 176.2 0.2 . 1 . . . . 168 GLU C . 16298 1 1408 . 1 1 105 105 GLU CA C 13 56.8 0.2 . 1 . . . . 168 GLU CA . 16298 1 1409 . 1 1 105 105 GLU CB C 13 30.3 0.2 . 1 . . . . 168 GLU CB . 16298 1 1410 . 1 1 105 105 GLU CG C 13 36 0.2 . 1 . . . . 168 GLU CG . 16298 1 1411 . 1 1 105 105 GLU N N 15 121.1 0.2 . 1 . . . . 168 GLU N . 16298 1 1412 . 1 1 106 106 HIS H H 1 8.27 0.02 . 1 . . . . 169 HIS H . 16298 1 1413 . 1 1 106 106 HIS HA H 1 4.76 0.02 . 1 . . . . 169 HIS HA . 16298 1 1414 . 1 1 106 106 HIS HB2 H 1 2.99 0.02 . 2 . . . . 169 HIS HB2 . 16298 1 1415 . 1 1 106 106 HIS HB3 H 1 2.82 0.02 . 2 . . . . 169 HIS HB3 . 16298 1 1416 . 1 1 106 106 HIS CA C 13 56.3 0.2 . 1 . . . . 169 HIS CA . 16298 1 1417 . 1 1 106 106 HIS CB C 13 30.4 0.2 . 1 . . . . 169 HIS CB . 16298 1 1418 . 1 1 106 106 HIS N N 15 119.7 0.2 . 1 . . . . 169 HIS N . 16298 1 1419 . 1 1 110 110 HIS HA H 1 4.57 0.02 . 1 . . . . 173 HIS HA . 16298 1 1420 . 1 1 110 110 HIS HB2 H 1 3.08 0.02 . 2 . . . . 173 HIS HB2 . 16298 1 1421 . 1 1 110 110 HIS HB3 H 1 2.97 0.02 . 2 . . . . 173 HIS HB3 . 16298 1 1422 . 1 1 110 110 HIS CA C 13 55.9 0.2 . 1 . . . . 173 HIS CA . 16298 1 1423 . 1 1 110 110 HIS CB C 13 30.2 0.2 . 1 . . . . 173 HIS CB . 16298 1 1424 . 1 1 111 111 HIS H H 1 8.09 0.02 . 1 . . . . 174 HIS H . 16298 1 1425 . 1 1 111 111 HIS HA H 1 4.39 0.02 . 1 . . . . 174 HIS HA . 16298 1 1426 . 1 1 111 111 HIS HB2 H 1 3.16 0.02 . 2 . . . . 174 HIS HB2 . 16298 1 1427 . 1 1 111 111 HIS HB3 H 1 3.04 0.02 . 2 . . . . 174 HIS HB3 . 16298 1 1428 . 1 1 111 111 HIS CA C 13 57.3 0.2 . 1 . . . . 174 HIS CA . 16298 1 1429 . 1 1 111 111 HIS CB C 13 30.2 0.2 . 1 . . . . 174 HIS CB . 16298 1 1430 . 1 1 111 111 HIS N N 15 125.4 0.2 . 1 . . . . 174 HIS N . 16298 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy.list _Spectral_peak_list.Entry_ID 16298 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 108.082 2.845 7.613 6023006 108.086 4.209 7.614 11781569 108.092 0.868 7.613 21327962 108.093 2.597 8.005 2996141 108.096 9.575 7.613 11869231 108.097 4.292 7.614 9308157 108.099 3.738 7.616 3210909 108.101 2.687 7.612 4840292 108.105 5.271 8.012 4387434 108.107 9.450 8.008 9194139 108.108 1.285 8.009 12880854 108.110 4.458 8.007 9388582 108.111 8.761 7.618 2316384 108.118 6.907 8.008 14934128 108.674 1.506 8.178 17318304 108.681 7.609 8.177 10263057 108.681 0.994 8.177 15870701 108.681 7.693 8.177 10473834 108.684 2.151 8.180 6149690 108.687 4.369 8.180 5958260 108.688 1.810 8.179 10166436 108.713 3.842 8.175 4253202 108.989 3.072 7.630 5643354 108.994 6.580 7.629 38873808 109.006 7.631 6.584 31433988 109.011 2.832 7.636 4760752 109.026 0.970 7.629 7304604 109.037 0.970 6.585 5318052 109.069 3.071 6.582 3117027 110.437 1.761 6.686 3983959 110.438 1.977 6.689 7791832 110.439 1.980 7.008 7498502 110.440 6.687 7.009 173516048 110.440 7.004 6.689 307105056 110.451 1.753 7.008 3388054 110.460 1.481 6.691 2587599 111.667 4.424 8.879 3274126 111.686 1.288 8.875 8585775 111.687 3.085 8.876 13023110 111.695 4.276 8.879 3523885 111.848 7.707 7.075 61645512 111.848 2.686 7.702 8205026 111.851 2.686 7.078 5243476 111.854 7.077 7.704 69591992 111.867 2.564 7.703 7268332 111.892 2.564 7.080 4084944 112.037 8.357 7.952 13650163 112.042 4.189 7.952 7819233 112.042 3.607 7.953 3307252 112.056 1.543 7.952 17063712 112.058 3.703 7.951 6002994 112.062 3.884 7.952 8497866 112.080 5.171 7.951 3876698 112.545 3.972 8.754 2330396 112.599 4.111 8.757 3432077 112.963 7.719 6.993 58415948 112.963 6.993 7.722 79702744 112.971 2.794 7.720 7644674 112.995 2.799 6.993 4333558 113.431 1.922 7.294 2583560 113.450 2.313 6.942 3953860 113.451 2.174 6.948 2233630 113.454 3.036 7.299 3593147 113.459 7.294 6.940 96553720 113.460 6.936 7.297 89678400 113.463 2.318 7.300 12058904 113.480 2.185 7.301 4700820 113.545 4.233 7.648 10368051 113.552 0.855 7.649 4317315 113.553 1.404 7.651 15631688 113.561 3.888 7.652 47252360 113.561 4.309 7.650 6849009 113.565 3.101 7.650 4034164 113.568 1.915 7.650 5963131 113.577 8.759 7.651 11270816 113.580 2.072 7.652 4655558 113.586 1.697 7.655 3396455 113.630 6.921 7.654 5834850 113.683 2.717 6.893 7167736 113.687 7.572 6.892 166720640 113.689 6.886 7.568 145991392 113.696 2.718 7.567 13079178 113.708 4.025 7.568 3380256 113.714 4.039 6.893 3020235 113.994 1.801 8.321 3711949 114.018 2.300 7.760 8409852 114.021 3.016 8.319 7355798 114.024 2.660 7.759 11545864 114.030 4.432 8.320 3924975 114.032 1.999 7.763 2907504 114.033 1.534 8.320 3108674 114.035 3.187 8.320 6014714 114.038 7.067 7.760 102964592 114.044 6.914 8.323 4226012 114.052 2.065 8.320 3555970 114.054 7.758 7.069 87122720 114.054 2.664 7.070 4845189 114.250 3.091 7.397 8215006 114.252 7.392 6.915 50338504 114.258 6.905 7.399 54735284 114.265 3.084 6.920 5003980 114.322 4.478 7.472 9485584 114.327 4.029 7.473 3039988 114.329 1.318 7.473 7485198 114.329 2.713 7.471 20449174 114.332 7.615 7.471 17964706 114.345 3.810 7.473 5403510 114.772 3.940 7.069 3138502 114.804 7.390 7.066 8443367 114.806 1.986 7.066 6619464 114.807 0.937 7.068 3073860 114.807 3.107 8.113 2558566 114.812 7.688 7.063 6613892 114.815 3.300 7.062 8359445 114.821 4.285 7.065 7561849 114.821 8.167 7.062 8166396 114.829 6.719 8.116 2541654 114.842 3.607 8.119 2354652 114.842 1.864 8.120 7224448 114.853 2.733 8.119 5124992 114.855 0.726 8.116 9058566 114.859 1.491 8.118 4461875 114.859 4.571 8.117 7261328 114.861 6.391 8.117 5714362 114.862 7.157 8.115 11445777 114.863 3.413 8.114 3781344 114.866 4.011 8.117 3259437 114.882 4.416 8.121 3138711 114.887 3.897 8.670 3652175 114.904 4.277 8.674 3978222 114.907 8.821 8.672 8996996 114.926 4.426 8.671 12440297 114.928 2.794 8.670 28029946 114.934 1.981 8.670 6053639 114.935 1.797 8.671 9317738 114.959 7.766 8.672 11439572 115.040 7.784 6.939 102663800 115.056 6.937 7.792 125676920 115.062 2.389 6.938 5466874 115.063 2.395 7.790 13516727 115.310 1.751 7.134 7928678 115.315 1.976 7.132 12303345 115.316 4.322 7.135 9570160 115.322 1.492 7.135 37129676 115.323 4.110 7.134 18003808 115.329 7.457 7.134 34986964 115.333 1.310 7.134 16557732 115.352 5.032 7.136 2402061 115.391 1.547 7.331 2355424 115.393 2.125 8.430 4290087 115.393 0.943 7.129 3024652 115.398 3.928 8.431 8449016 115.398 8.278 7.327 19650962 115.400 0.963 8.432 5847819 115.405 2.637 7.329 10558978 115.406 8.757 7.330 13978389 115.409 2.929 7.329 17091594 115.411 3.999 7.329 44709040 115.415 4.376 7.328 20847438 115.418 4.490 7.331 8107592 115.427 4.217 8.433 4390174 115.450 1.165 7.321 2750115 115.456 3.170 7.326 2796522 115.643 2.748 8.041 3158698 115.671 1.869 8.043 4980567 115.672 4.012 8.041 2986279 115.675 3.088 8.044 19680964 115.677 4.413 8.045 29024282 115.681 0.964 8.046 4639459 115.697 4.575 8.043 4132295 115.709 3.606 8.042 5782188 115.979 4.651 7.382 6266816 115.981 1.978 7.388 3486429 115.994 7.634 7.381 5879156 115.994 4.316 7.385 3684944 116.001 0.539 7.380 6176238 116.019 2.739 7.387 2066302 116.034 0.781 7.387 3455263 116.037 8.208 7.379 2245171 116.089 2.886 8.348 10941659 116.092 2.650 8.349 4877520 116.093 1.325 8.349 11954065 116.097 8.083 8.350 8307437 116.100 4.365 8.349 3853964 116.101 4.051 8.347 6288448 116.104 0.363 8.350 3482278 116.104 0.663 8.348 11878432 116.106 1.070 8.348 6511537 116.108 1.732 8.353 5519596 116.202 2.891 8.439 3640551 116.203 0.971 8.441 2660361 116.208 1.409 8.432 4017973 116.208 1.333 8.437 5108342 116.213 3.727 8.438 9298531 116.216 1.914 8.440 11210084 116.221 3.152 8.439 6359835 116.223 1.720 8.439 11540606 116.223 2.608 8.815 5700516 116.227 7.534 8.440 7085216 116.229 7.018 8.819 3228402 116.235 4.382 8.817 6051296 116.235 3.034 8.815 3260762 116.239 3.398 8.817 11005662 116.239 4.117 8.818 8619355 116.243 5.035 8.817 18942390 116.274 4.288 8.819 5084065 116.405 1.976 7.455 3438596 116.413 1.311 7.456 6417440 116.421 4.369 7.455 4763278 116.424 7.140 7.457 37834388 116.425 3.401 7.456 6217196 116.428 0.948 7.455 6685725 116.429 1.499 7.458 10110292 116.431 7.019 7.458 11647840 116.434 2.610 7.455 11972974 116.434 4.465 7.263 6143904 116.437 4.102 7.457 6418236 116.438 1.747 7.458 2389550 116.439 5.034 7.456 10518416 116.440 8.496 7.262 11810334 116.440 2.909 7.263 19149574 116.446 0.093 7.264 5229076 116.458 4.173 7.263 9041372 116.465 6.894 7.264 13844028 116.474 1.547 7.263 14077619 116.610 4.301 7.264 2830046 116.628 1.349 7.265 3363825 116.631 2.190 7.265 9493095 116.638 1.847 7.265 31312444 116.657 4.033 7.264 17960506 116.660 3.846 7.264 7503223 116.676 2.317 7.263 19105032 116.683 7.604 7.265 19827206 116.687 8.162 7.264 21125734 117.261 3.407 7.159 7524256 117.263 4.000 7.161 15888517 117.267 8.114 7.162 17973338 117.272 2.066 7.162 20605798 117.273 0.728 7.161 19136434 117.275 1.493 7.162 16350022 117.276 8.197 7.162 17384694 117.298 2.258 7.159 3036200 117.380 2.999 7.600 6483496 117.383 1.511 7.600 11333233 117.390 0.815 7.599 5350252 117.393 1.658 7.599 22427782 117.395 4.307 7.599 6783479 117.396 3.845 7.599 20420572 117.396 1.823 7.599 49974012 117.398 8.342 7.598 18125604 117.403 7.263 7.599 17555482 117.424 1.354 7.600 6187885 117.434 2.895 8.073 3362425 117.434 4.131 8.070 5926791 117.436 0.658 8.070 6242529 117.442 1.458 8.072 3609521 117.446 0.362 8.070 3228682 117.448 1.735 8.074 3924075 117.449 8.346 8.074 14124022 117.450 3.842 8.073 7387627 117.457 4.048 8.071 15139634 117.458 1.071 8.071 10542427 117.459 4.375 8.071 10696404 117.463 7.181 8.072 15130068 117.469 1.316 8.073 7602514 117.476 8.438 7.535 9468919 117.477 2.371 7.535 8179074 117.479 1.711 7.538 9003670 117.487 7.705 7.536 12875325 117.489 2.152 7.535 25650874 117.490 3.745 7.535 3645301 117.490 4.000 7.535 8454231 117.496 1.346 7.534 6158142 117.682 4.218 7.798 7604303 117.683 4.079 7.804 14041375 117.687 8.732 7.800 12021056 117.687 1.614 7.801 12766736 117.694 1.961 7.802 36950276 117.695 2.177 7.801 24554782 117.704 7.597 7.801 16374228 117.766 2.301 7.845 10569788 117.779 2.171 7.842 20752028 117.785 1.682 7.845 15258183 117.789 4.106 7.840 11729672 117.792 1.936 7.844 43099544 117.803 3.705 7.846 4047248 117.803 4.504 7.849 3219534 117.819 4.423 7.847 3427252 117.819 9.300 7.844 8572317 117.820 7.299 7.845 10590755 117.821 0.762 7.847 1979251 117.823 3.257 7.846 2733487 118.056 0.914 7.567 5272370 118.068 1.887 7.566 6452404 118.068 3.816 7.566 14507281 118.075 8.160 7.565 12236600 118.076 7.441 7.567 12839238 118.087 1.319 7.565 39365660 118.093 2.980 7.561 3181987 118.094 4.025 7.566 8137251 118.111 2.298 7.566 8456052 118.113 6.761 7.569 3554707 118.115 7.466 7.638 23030510 118.122 2.559 7.638 22626444 118.128 4.653 7.640 20156588 118.129 2.719 7.639 22454848 118.132 4.481 7.639 14100294 118.136 7.389 7.638 24181448 118.169 2.319 7.845 6143766 118.186 0.774 7.632 5387358 118.191 3.605 8.228 4723730 118.199 2.063 8.228 49219132 118.200 0.959 8.228 15851952 118.203 1.933 8.226 20989106 118.204 4.284 8.228 4710091 118.204 2.412 8.228 16136225 118.206 3.999 8.227 19446650 118.208 7.157 8.228 13754927 118.212 2.256 8.227 10462971 118.216 7.844 7.618 34527244 118.221 7.622 7.843 26017596 118.322 1.558 8.756 2743784 118.368 3.995 8.283 7172456 118.380 1.700 8.751 13993501 118.380 4.183 8.748 5316643 118.387 2.791 8.289 26568972 118.391 1.139 8.290 18218338 118.392 2.572 8.289 13102495 118.393 6.923 8.750 11134588 118.395 7.656 8.751 6654528 118.396 4.323 8.288 13608596 118.397 3.880 8.750 5266558 118.413 3.776 8.290 4716626 118.415 1.390 8.745 5827191 118.440 2.245 8.363 13795908 118.444 3.753 8.754 2257096 118.446 7.825 8.366 8564514 118.446 1.887 8.363 17027412 118.448 0.922 8.361 11154439 118.451 3.638 8.366 2996910 118.453 1.744 8.362 13357601 118.457 7.726 8.368 5987615 118.461 4.192 8.363 9832068 118.480 4.074 7.701 4502566 118.491 1.670 6.922 4059872 118.509 2.077 6.920 4794458 118.513 1.527 6.920 9428611 118.514 0.801 8.749 6907926 118.520 3.031 6.921 28247502 118.521 4.481 6.922 14932810 118.522 0.290 6.922 4569264 118.530 9.104 6.917 4855320 118.530 8.140 6.921 24777344 118.532 2.824 6.920 10612726 118.548 8.314 6.922 6560101 118.610 4.254 8.747 7406730 118.615 0.951 8.749 4377762 118.633 2.935 8.749 11827853 118.634 4.427 8.749 3987949 118.634 2.125 8.749 8995649 118.636 7.324 8.747 8554433 118.642 2.638 8.746 8487679 118.649 0.527 7.306 3600523 118.650 8.588 8.750 6637899 118.657 4.309 7.307 9982345 118.657 3.164 7.307 18450212 118.657 8.239 7.307 16804878 118.658 3.589 7.307 20235298 118.658 0.684 7.304 3598330 118.659 7.845 7.307 13451484 118.669 3.167 8.747 3285979 118.680 7.045 7.307 9708553 118.690 4.658 7.307 7297750 118.690 4.116 7.307 5258089 118.713 1.925 7.306 19053744 118.715 1.692 7.306 4272534 118.732 7.735 7.970 11653951 118.733 3.639 7.969 3860768 118.738 1.574 7.970 15601844 118.739 2.082 7.970 13486704 118.739 1.836 7.969 20616066 118.743 8.727 7.971 14022580 118.749 4.192 7.969 12898049 118.776 0.927 7.968 2475738 118.895 4.461 7.292 3503026 118.895 4.179 7.292 4862990 118.899 2.844 7.292 4717722 118.913 6.879 7.293 11084834 118.917 1.551 7.296 3078543 118.918 3.030 7.293 20272074 118.925 8.938 7.292 7702252 118.937 3.944 7.295 9709180 118.940 2.594 7.292 10066716 119.222 7.961 8.405 7547650 119.223 3.542 8.401 4866779 119.233 4.664 8.403 10226264 119.236 0.965 8.405 4805656 119.241 1.205 8.406 4155599 119.244 8.948 8.404 5460396 119.245 1.540 8.405 2875371 119.255 3.884 8.403 3973965 119.272 3.684 8.404 4795642 119.307 1.531 8.727 3004200 119.328 7.978 8.728 7235848 119.328 0.854 8.973 2165816 119.336 3.840 8.728 5323022 119.336 0.823 8.730 3968006 119.337 2.178 8.729 22117736 119.346 1.839 8.729 4877241 119.350 4.182 8.730 4972418 119.350 1.731 8.971 4487406 119.357 7.797 8.728 6378784 119.369 2.206 8.972 4704380 119.377 4.314 8.972 2403034 119.388 7.479 8.969 7277550 119.389 1.416 8.972 2628815 119.397 1.948 8.972 2247710 119.586 1.961 7.479 4299607 119.588 6.936 7.474 3474700 119.595 1.726 7.480 7586630 119.608 4.519 7.477 11905653 119.609 1.296 7.477 30499458 119.613 2.211 7.478 13485928 119.615 8.982 7.480 10330492 119.619 4.314 7.478 9312404 119.627 0.847 7.477 4306902 119.661 8.165 8.339 11165426 119.661 1.403 8.337 8644631 119.666 3.945 8.336 4781803 119.672 1.945 8.334 24338696 119.680 3.598 8.334 7479310 119.681 0.934 8.335 12547427 119.695 4.134 8.274 8866667 119.739 3.410 8.342 1852450 119.760 1.915 8.241 20937736 119.761 3.163 8.241 4320296 119.762 0.526 8.240 25275972 119.764 3.593 8.244 8539210 119.764 0.646 8.239 9210295 119.765 3.690 8.239 5894882 119.765 7.298 8.241 10863475 119.768 2.891 8.237 10095212 119.769 2.481 9.299 3256047 119.774 6.949 9.303 2288022 119.779 7.049 8.241 6124883 119.781 9.107 8.240 11408706 119.795 2.336 9.298 4541324 119.799 0.729 9.298 5762225 119.801 8.146 9.298 9424241 119.801 2.170 9.299 17057640 119.802 7.846 9.299 7075996 119.816 3.710 9.299 7515840 119.822 3.079 9.301 6254939 119.842 4.432 9.304 4308403 119.854 7.543 7.726 12762876 119.856 1.716 7.726 15794457 119.864 3.797 7.726 10411968 119.864 8.387 7.726 18235774 119.865 2.152 7.726 12926733 119.867 0.871 7.726 8860669 119.868 1.026 7.727 32979266 119.884 3.993 7.728 3733534 120.133 0.943 7.178 2187308 120.145 4.475 8.408 10729799 120.158 0.910 8.409 9174664 120.159 4.130 8.410 41594696 120.161 3.838 7.182 5278443 120.161 4.374 7.179 18680324 120.164 1.741 7.184 4512144 120.167 2.039 8.408 6494105 120.168 8.076 7.182 15401209 120.170 3.838 8.410 16218485 120.173 1.468 7.182 57060184 120.174 4.327 7.183 26735558 120.175 4.055 7.181 10004320 120.177 3.062 8.345 3323231 120.178 3.285 8.343 6145518 120.181 7.606 8.343 10182173 120.190 1.667 8.343 24324822 120.192 8.902 8.342 6572016 120.192 2.999 8.344 10083564 120.193 2.650 8.342 4318394 120.197 0.824 8.342 7099430 120.202 1.979 7.184 4242974 120.289 0.955 8.329 11733310 120.323 4.360 8.331 6388796 120.323 2.044 8.328 15446470 120.325 1.548 8.329 44099316 120.328 4.091 8.329 14609112 120.329 9.123 8.328 11491874 120.332 3.673 8.328 4098510 120.349 7.960 8.328 10270928 120.480 8.721 7.592 2740620 120.498 1.967 7.597 21890250 120.500 1.502 7.598 42224196 120.501 4.092 7.597 7201313 120.504 4.260 7.598 16176868 120.505 7.802 7.598 22808404 120.512 8.162 7.597 15455686 120.531 0.982 7.597 3981816 120.696 1.742 7.740 6104011 120.726 8.362 7.744 11710847 120.727 1.577 7.743 37472072 120.727 4.219 7.743 19952338 120.728 7.973 7.742 14448454 120.729 1.884 7.743 14594862 120.749 4.497 7.748 3618117 120.767 1.831 9.037 9787774 120.774 1.725 9.037 7113079 120.777 1.298 9.038 16468742 120.780 4.521 9.038 29229052 120.793 2.062 9.040 8362965 120.854 3.893 8.586 6293669 120.887 3.122 8.583 11794537 120.889 0.950 8.587 30377292 120.890 7.767 8.587 18855574 120.892 2.128 8.587 23056750 120.895 4.396 8.584 2773182 120.896 3.022 8.588 9163496 120.900 0.787 8.585 8832159 120.900 1.778 6.896 3169282 120.902 1.549 6.895 16913258 120.903 8.732 8.588 16625827 120.907 4.497 8.588 3601330 120.907 1.900 6.891 3973033 120.909 3.944 6.896 3091056 120.910 0.596 6.892 7107268 120.913 0.096 6.891 6046653 120.916 7.281 6.892 22558570 120.919 0.289 6.894 7672863 120.921 0.786 6.892 12961359 120.923 2.888 6.895 11080195 120.995 1.686 9.459 3372084 120.996 3.664 8.933 3918390 120.999 3.533 8.932 3033069 121.005 2.676 9.457 6111260 121.011 0.962 8.935 4478064 121.014 4.092 8.933 3935514 121.018 8.406 8.933 12348771 121.022 2.835 8.933 10751353 121.023 3.070 8.933 17996510 121.026 1.301 9.457 3809930 121.029 7.292 8.934 9712284 121.030 4.227 9.458 12551295 121.030 4.463 8.932 9938047 121.033 0.986 9.457 20938510 121.036 4.665 8.934 10487793 121.037 2.570 9.455 5972767 121.038 2.236 9.457 17498916 121.040 8.013 9.456 11362445 121.047 3.991 9.458 3127494 121.047 1.208 8.933 5309362 121.048 2.161 8.274 12301712 121.052 1.862 8.276 54260644 121.053 4.255 8.275 69261288 121.055 4.134 8.274 28547732 121.059 1.507 8.277 12380287 121.061 0.872 8.275 5704160 121.066 0.852 9.456 5576204 121.132 3.943 8.489 4951155 121.139 2.917 8.493 8944350 121.140 4.322 8.491 9799778 121.140 1.573 8.486 6699156 121.140 7.940 8.489 9138081 121.146 1.843 8.491 16274918 121.149 7.064 7.688 10722812 121.150 3.947 7.689 11873277 121.153 2.316 7.688 7842769 121.155 7.265 8.488 8569625 121.156 1.991 7.687 28409124 121.157 1.981 8.490 15768818 121.162 8.170 7.688 18098958 121.164 4.069 7.689 5908341 121.164 1.801 7.689 5562419 121.164 2.659 7.689 14648991 121.164 2.153 7.686 4428240 121.167 1.507 7.688 8164143 121.173 0.979 7.688 7882503 121.176 4.358 7.689 3607464 121.400 7.722 8.383 12874222 121.401 3.772 8.383 10478116 121.403 0.876 8.385 6310384 121.410 1.713 8.385 9163609 121.413 1.138 8.385 24951734 121.414 1.499 8.206 18087408 121.416 4.315 8.206 46105204 121.417 0.541 8.205 7802448 121.417 1.966 8.206 33262312 121.422 0.777 8.207 12153264 121.423 1.876 8.207 21377832 121.433 1.695 8.208 5744586 121.434 0.099 8.382 2908766 121.439 7.379 8.209 6754075 121.447 4.068 8.209 3573158 121.636 3.229 7.931 13020273 121.643 3.413 7.931 12245248 121.646 1.843 7.931 4033313 121.650 1.977 7.932 5797250 121.651 4.561 7.932 8017372 121.653 7.153 7.931 4414430 121.660 2.889 7.929 5111197 121.661 8.504 7.931 16882242 121.662 4.332 7.931 2983018 121.665 1.582 7.934 5063358 121.824 2.129 8.309 10106059 121.834 0.983 8.309 12218433 121.845 3.837 8.308 6208829 121.850 1.937 8.307 4778832 121.853 4.329 8.310 18886252 121.890 9.108 8.249 12433543 121.902 2.871 8.249 32511776 121.903 2.631 8.250 21231926 121.914 4.376 8.248 17544304 121.924 0.677 8.256 3343972 121.941 0.868 8.579 3930964 121.959 3.739 8.579 3447435 121.960 0.729 8.579 4283440 121.968 1.137 8.578 7203477 121.978 1.563 8.580 12542336 121.983 4.318 8.580 17343886 121.985 2.803 8.581 18600568 121.986 6.933 8.579 4646914 121.989 3.349 8.580 17609858 121.989 9.574 8.580 13015942 122.021 4.116 8.218 24899762 122.029 0.904 8.217 55216104 122.030 2.066 8.217 39448488 122.033 3.837 8.217 20857168 122.049 8.453 8.217 23925942 122.204 2.498 8.138 14940612 122.208 2.822 8.137 4933370 122.220 6.912 8.139 17845682 122.221 0.279 8.140 5250794 122.222 3.072 8.140 20785516 122.228 4.658 8.140 6441020 122.234 9.299 8.139 10848849 122.240 4.337 8.144 4304712 122.266 4.467 8.142 3513630 122.272 1.447 8.462 11192117 122.275 1.713 8.461 25753466 122.280 1.797 8.457 20285704 122.281 4.374 8.460 66764344 122.290 2.261 8.461 10999149 122.295 1.987 8.461 3699678 122.353 3.799 8.304 6882978 122.360 2.796 8.303 23917500 122.369 2.996 8.303 19317522 122.377 2.576 8.303 9257649 122.380 8.905 8.303 10634291 122.460 1.285 6.914 3956383 122.475 1.641 6.911 27971890 122.479 4.226 6.913 3094402 122.489 7.574 8.169 10026495 122.489 3.985 6.912 3089901 122.490 6.756 8.167 4371574 122.491 3.788 6.914 10326753 122.492 0.283 6.915 6772920 122.501 8.013 6.914 18749846 122.502 4.022 8.169 9245249 122.503 0.454 6.912 8222220 122.505 4.456 6.912 9171492 122.506 7.266 8.169 10743993 122.506 0.917 8.167 2984408 122.507 2.300 8.169 11783112 122.508 1.900 8.168 15459949 122.513 8.813 7.764 4399352 122.521 6.832 7.770 3254082 122.525 8.599 7.768 22146666 122.529 2.795 7.770 18011204 122.530 3.115 7.768 24532914 122.531 4.485 7.767 14144626 122.532 3.037 7.769 20971194 122.537 4.299 8.272 128374728 122.538 4.380 8.173 4001723 122.539 1.406 8.271 10637319 122.541 4.135 8.269 27155680 122.543 8.161 8.168 178256928 122.543 2.037 8.271 41161224 122.543 0.914 8.271 56231044 122.544 0.948 7.763 4497258 122.547 1.750 8.272 22658096 122.573 1.405 8.169 27882946 122.576 3.291 8.167 8745062 122.577 2.126 7.770 2533097 122.580 7.058 8.169 9895540 122.588 0.967 8.168 5140590 122.588 2.992 8.302 8034036 122.588 2.805 8.304 8178810 122.588 2.593 8.308 4280011 122.588 3.000 8.172 2983946 122.590 3.398 8.168 10687363 122.592 8.356 8.169 15647819 122.923 0.874 8.889 2488696 122.942 3.783 8.889 5198864 122.947 3.291 8.889 13042674 122.952 8.322 8.889 16153552 122.952 3.023 8.889 15094267 122.958 2.805 8.889 6699363 122.958 2.651 8.889 13245574 122.983 4.300 8.888 3499246 122.988 1.677 8.887 2879938 123.036 7.155 8.506 6083114 123.040 3.230 8.504 8549088 123.040 1.685 8.506 3424256 123.042 0.867 8.504 8141944 123.043 4.181 8.504 4830760 123.043 3.742 8.505 10745722 123.043 4.547 8.503 3700068 123.045 1.560 8.503 25508326 123.046 7.940 8.504 9397351 123.061 3.409 8.504 5976786 123.066 2.880 8.502 3730273 123.127 1.888 8.234 12069996 123.141 4.242 8.233 123237792 123.143 1.574 8.233 78312480 123.145 1.980 8.233 15181858 123.149 2.217 8.232 7304894 123.157 0.875 8.233 11236029 123.301 3.660 9.133 12791900 123.309 0.354 9.133 2823602 123.312 4.250 9.134 3756084 123.313 8.298 9.135 23271690 123.314 2.038 9.135 24873788 123.316 1.758 9.134 11182511 123.317 0.910 9.135 38317828 123.332 -0.079 9.135 2877788 123.332 1.533 9.131 3337984 123.332 1.671 8.520 19155940 123.344 4.462 8.520 35916900 123.347 1.155 9.141 2722153 123.347 1.774 8.521 7840504 123.353 3.173 9.135 3876048 123.355 1.465 8.521 5586520 123.380 3.896 8.825 6069172 123.391 4.291 8.826 5841440 123.392 1.980 8.823 9569976 123.396 4.396 8.826 11735623 123.412 1.803 8.823 6859920 123.414 4.119 8.824 4001642 123.436 4.502 7.830 5475372 123.437 4.069 7.826 5470038 123.441 2.243 7.826 12624552 123.449 0.912 7.825 27577872 123.460 3.644 7.827 6379090 123.461 8.358 7.825 7761242 123.462 3.837 7.828 4602226 123.535 1.709 7.074 6542656 123.558 6.325 7.075 17046730 123.562 1.864 7.075 26283204 123.562 2.096 7.075 7912324 123.567 4.117 7.075 10477141 123.578 3.925 7.075 7144954 123.594 1.839 8.910 5668560 123.605 8.312 8.912 2580001 123.606 4.316 8.911 4311268 123.609 4.572 8.911 9152323 123.609 1.911 8.911 6185428 123.623 2.065 8.910 5306840 123.626 1.662 8.911 4578821 123.633 1.739 8.318 44934040 123.635 4.275 8.317 66427620 123.642 1.406 8.318 11699723 124.147 0.898 8.468 21636468 124.149 1.892 8.464 41766012 124.150 3.841 8.468 5455903 124.150 2.223 8.468 19604578 124.152 4.115 8.468 81493488 124.155 2.012 8.468 21333328 124.166 4.234 8.472 21884292 124.310 4.562 9.579 3551933 124.310 3.353 9.582 8445769 124.316 8.582 9.581 10165594 124.323 2.682 9.584 8168340 124.328 4.306 9.582 12139231 124.332 7.621 9.581 9821370 124.334 2.838 9.582 15466592 124.347 6.943 9.587 3516487 124.364 1.578 9.581 2470039 124.724 1.411 8.469 11969364 124.731 1.742 8.469 39054956 124.732 4.255 8.469 60530948 124.806 7.840 9.113 3907390 124.826 3.707 9.113 3156293 124.837 2.593 9.114 15020126 124.839 2.839 9.114 22459538 124.839 4.135 9.113 20631748 124.840 0.640 9.112 9427904 124.844 1.917 9.113 15852944 124.845 0.526 9.113 6982329 124.846 8.243 9.114 33572652 124.871 7.300 9.110 2420001 125.417 3.043 8.079 8548718 125.444 4.393 8.092 7865094 125.585 4.269 8.814 5718522 125.590 1.645 8.815 16217760 125.599 4.500 8.816 7053680 125.612 1.851 8.814 12521031 125.612 1.482 8.815 4651056 125.618 1.313 8.811 2857088 125.816 3.177 8.278 5586182 125.823 4.002 8.280 8690642 125.825 -0.083 8.275 6338903 125.826 7.326 8.280 11189151 125.829 1.501 8.283 3746211 125.830 1.755 8.279 11080268 125.833 4.368 8.285 3198483 125.836 3.610 8.276 8127785 125.844 0.958 8.278 12701617 125.858 9.130 8.281 6574500 125.861 1.164 8.282 12029414 127.342 8.529 9.125 2604931 127.409 7.844 9.135 3620910 127.436 1.684 9.131 24927094 127.439 0.763 9.132 18464484 127.444 4.067 9.132 46660840 127.446 7.623 9.132 10843279 127.446 1.879 9.133 10622211 127.450 1.422 9.132 8655968 127.450 1.352 9.132 9395572 127.451 4.460 9.131 9743051 127.485 7.235 9.135 3545642 128.418 2.072 9.112 6561873 128.432 3.034 9.112 11261201 128.435 0.285 9.113 8724832 128.437 1.527 9.113 16839760 128.446 3.787 9.112 34023388 128.448 4.571 9.110 7916948 128.448 2.825 9.114 5057659 128.453 1.638 9.111 9873873 128.464 6.910 9.115 5907771 128.912 3.029 9.958 3304566 128.945 3.227 9.957 3214716 128.956 1.785 9.961 11286102 128.959 6.844 9.961 16286699 128.960 6.677 9.961 29193396 128.960 1.892 9.960 9349393 128.965 7.291 9.961 4249998 128.965 6.921 9.961 10961628 128.970 3.406 9.963 4320677 128.972 2.194 9.961 3681700 129.067 1.831 6.322 6316520 129.071 1.709 6.320 10108892 129.080 4.509 6.319 3081472 129.082 2.743 6.319 6218130 129.085 3.930 6.321 12392714 129.088 7.075 6.320 11942896 129.103 3.695 6.320 3206458 129.114 3.119 6.322 7559596 129.119 4.212 6.321 4348293 129.130 1.107 6.319 4177970 130.401 3.887 6.934 6137012 130.405 1.147 6.935 6770123 130.410 1.691 6.933 10218719 130.411 1.562 6.929 5456918 130.412 2.210 6.934 4149164 130.414 4.189 6.934 7395854 130.417 4.311 6.933 9864430 130.419 8.747 6.934 21358796 130.419 0.809 6.934 13236443 130.433 7.664 6.937 3316915 130.444 1.272 6.932 8843525 130.445 1.379 6.932 6174324 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 NH 1 2110.678 . . . 16298 1 2 H 1 H 2 10416.667 . . . 16298 1 3 H 1 HN 1 12755.102 . . . 16298 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16298 1 stop_ save_ save_Cnoesy_aliph.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list _Spectral_peak_list.Entry_ID 16298 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (aliph)' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 11.949 7.832 0.730 5233651 11.953 6.973 0.730 15677672 11.956 9.305 0.730 8647161 11.959 3.713 0.727 23932648 11.962 4.069 0.727 40526640 11.966 2.187 0.728 19428824 11.968 1.890 0.728 29209270 11.975 1.325 0.727 77131904 11.978 1.646 0.727 20048418 11.985 7.234 0.727 7742590 11.988 7.644 0.735 4487632 11.995 8.912 0.734 5867106 12.001 9.125 0.727 11264872 12.007 2.935 0.730 8266630 12.010 4.333 0.725 6645408 12.010 2.509 0.730 4608022 12.024 3.097 0.726 12802533 13.810 7.724 0.926 6222146 13.823 2.972 0.926 8183360 13.827 1.500 -0.067 4320083 13.836 8.210 0.930 7796432 13.844 3.624 -0.070 5111958 13.847 3.619 0.928 10803410 13.853 0.370 -0.067 10179233 13.856 1.172 -0.069 21513644 13.857 8.339 0.928 18082830 13.858 6.837 -0.068 6355960 13.861 3.738 0.927 14298140 13.861 1.950 0.927 78910664 13.861 7.387 -0.070 6378498 13.862 6.288 -0.069 7756483 13.862 7.041 -0.070 6460714 13.864 8.269 -0.070 6803441 13.866 0.958 -0.069 61505932 13.867 0.681 -0.069 13693793 13.868 3.187 -0.067 15898382 13.874 1.762 -0.069 14435614 13.879 6.547 0.933 7164651 13.881 3.957 0.927 28321800 13.887 3.344 1.138 4515090 13.899 7.055 0.927 8408321 13.902 4.290 -0.073 3367436 13.907 8.336 0.367 9359549 13.931 4.370 0.365 4526058 13.934 4.327 1.141 11333339 13.944 6.612 0.376 5449724 13.950 0.787 0.368 40303380 13.952 7.051 0.369 15876274 13.953 4.057 0.370 11341161 13.953 2.780 1.141 17959084 13.953 4.516 1.139 18179942 13.957 3.747 1.141 12320434 13.958 1.328 0.368 25639020 13.958 0.942 0.369 80205656 13.959 0.672 0.369 63573204 13.961 -0.074 0.367 28258156 13.965 1.754 0.368 26521188 13.966 2.215 1.141 21312790 13.968 8.573 1.140 8704375 13.968 0.839 1.141 67245192 13.969 2.901 0.368 15129012 13.971 4.193 1.138 10766440 13.978 3.194 0.368 9822082 13.984 1.573 1.140 34559732 13.984 6.916 1.143 13686700 14.032 7.486 1.136 4127008 14.346 2.155 0.597 7286225 14.351 3.540 0.599 11818671 14.380 1.131 0.597 27420636 14.385 3.764 0.433 4612206 14.392 0.102 0.597 33964408 14.402 3.783 0.596 13450845 14.423 0.767 0.597 31189766 14.427 6.611 0.601 7777852 14.431 6.901 0.434 6279168 14.447 2.914 0.434 7637346 14.449 4.566 0.440 4517458 14.449 4.000 0.435 13890832 14.451 8.381 0.595 4605266 14.461 7.332 0.600 8264297 14.466 1.576 0.593 18156920 14.467 6.888 0.591 6592142 14.469 6.734 0.433 14738847 14.469 2.883 0.590 6377746 14.474 1.656 0.434 29218236 14.480 0.751 0.431 18433412 14.483 6.365 0.431 8607848 14.513 2.737 0.432 9612072 15.231 0.450 0.737 17332918 15.249 0.104 0.737 24997204 15.254 1.373 0.736 30623924 15.256 1.002 0.737 72809560 15.257 1.588 0.737 49283120 15.259 6.739 0.736 19797748 15.264 1.705 0.737 50561420 15.267 3.998 0.735 10650589 15.271 6.989 0.737 10807308 15.277 3.719 0.736 13586779 15.294 4.170 0.735 8559627 15.372 2.912 0.739 5426588 15.440 2.674 1.039 3340519 15.471 3.835 1.039 19820710 15.482 2.996 1.036 4696353 15.484 1.806 1.040 36977604 15.490 0.830 1.040 67720848 15.492 6.656 1.038 16318624 15.492 1.522 1.040 41022612 15.493 8.171 1.042 9014870 15.495 2.152 1.039 35069792 15.499 0.595 1.041 19540586 15.512 4.336 1.038 7614035 15.538 7.346 1.040 10449874 15.603 8.345 1.037 7589416 15.657 3.329 1.037 4883784 16.504 6.812 1.709 6668680 16.562 4.513 1.715 15606876 16.573 6.322 1.710 7436712 16.579 6.955 1.714 15240888 16.583 4.333 1.714 28463574 16.585 7.905 1.714 13602978 16.587 8.514 1.715 14488474 16.592 6.586 1.707 4039372 16.595 7.249 1.706 4935212 16.922 9.578 0.990 9965084 16.938 9.454 0.991 20447264 16.952 9.112 0.289 9701853 16.959 2.227 0.993 10717125 16.964 4.556 0.292 5247092 16.990 8.609 0.987 4852075 16.991 6.338 0.287 18375330 16.993 1.108 0.286 13168648 16.995 2.823 0.287 14043788 17.004 3.049 0.288 24628060 17.008 2.675 0.990 5886544 17.008 1.658 0.287 42051096 17.008 6.708 0.288 11530070 17.010 6.909 0.287 15160789 17.013 3.996 0.992 8813989 17.018 3.790 0.289 21916010 17.031 4.213 0.994 9243081 17.038 8.146 0.292 5449464 17.057 0.833 0.288 13619864 17.067 2.509 0.286 8281572 17.078 1.669 0.988 43340868 17.144 3.786 0.100 17321224 17.160 1.550 0.101 28846638 17.161 1.373 0.986 39179552 17.163 7.267 0.103 6928392 17.169 8.386 0.100 5953562 17.171 6.869 0.102 6868796 17.173 0.614 0.100 36595140 17.176 2.895 0.100 17039444 17.181 1.705 0.105 8031610 17.182 0.733 0.100 29570684 17.185 6.563 0.099 7811583 17.187 1.139 0.101 17530442 17.692 9.126 0.944 5696468 17.718 3.984 0.967 21231326 17.743 1.951 0.967 81261880 17.744 8.321 0.964 18107168 17.744 3.616 0.959 52891708 17.747 4.411 0.968 11190565 17.747 7.054 0.950 26347182 17.754 8.248 0.962 19165320 17.759 0.370 0.948 43316616 17.764 2.968 0.967 17702954 17.764 -0.074 0.947 56142952 17.784 2.418 0.969 6071056 17.785 3.153 0.959 9392749 17.791 3.111 0.780 8191058 17.803 6.973 0.781 8228522 17.821 9.123 0.776 17786906 17.826 7.235 0.777 17876052 17.828 1.888 0.780 53749924 17.829 1.324 0.779 45046684 17.830 4.070 0.779 29631532 17.841 0.534 0.780 43984868 17.848 3.712 0.778 8471903 17.851 7.615 0.776 9019541 17.901 7.845 0.777 3941514 17.937 4.466 0.780 3913074 18.133 6.563 2.194 9796123 18.146 4.200 2.196 10982213 18.187 9.958 2.192 5578306 18.190 6.841 2.202 12258355 18.204 3.012 2.199 22092404 18.236 7.393 2.206 17504354 18.309 7.753 1.574 65091256 18.334 4.484 1.571 27632718 18.347 4.229 1.573 120096216 18.401 7.967 1.564 56849772 18.492 2.629 1.147 3533742 18.497 3.768 1.143 50639296 18.500 1.942 1.143 13545519 18.503 8.333 1.548 87330584 18.510 4.109 1.551 103017712 18.519 8.385 1.141 44562000 18.520 4.326 1.130 4186775 18.528 0.600 1.143 21868104 18.554 0.101 1.143 10514516 18.655 3.744 1.563 58728520 18.661 8.087 0.669 6631076 18.686 6.947 1.563 11914996 18.693 3.364 0.670 6482628 18.693 8.753 1.564 6574182 18.706 2.898 0.666 9313207 18.708 0.873 1.564 87996320 18.711 8.526 1.562 46951584 18.715 6.605 0.667 11188037 18.730 0.373 0.669 57409932 18.733 6.979 0.660 8676818 18.733 7.115 0.655 14623169 18.734 4.057 0.669 37747468 18.736 -0.072 0.669 21017326 18.736 3.191 0.668 5403981 18.740 8.348 0.668 26275144 18.742 1.736 0.669 36093780 18.752 1.332 0.669 18303130 18.753 0.770 1.565 52079600 18.766 0.948 0.668 35919796 18.772 2.641 0.667 4908100 18.782 4.332 0.662 4724900 18.788 7.336 0.987 5642146 18.789 0.946 1.415 10744485 18.807 6.656 0.994 15829575 18.825 3.732 0.993 22155308 18.834 4.371 0.993 28099428 18.837 2.148 0.993 45799868 18.840 4.204 0.989 11587293 18.845 8.341 1.408 18930598 18.845 6.731 1.408 27706134 18.846 3.865 0.994 22554632 18.851 0.598 0.994 29872284 18.851 6.402 1.411 14222037 18.860 3.420 1.408 44320084 18.863 8.164 1.408 39183352 18.864 8.168 0.993 27539858 18.865 3.647 1.338 14423141 18.867 7.695 0.997 5272846 18.876 8.150 1.336 15486783 18.879 6.556 1.408 18880930 18.879 8.153 1.496 27875876 18.888 0.978 1.507 39690468 18.902 7.605 1.502 63491724 18.902 4.020 1.503 26088160 18.918 8.339 1.323 6384782 18.996 4.001 1.323 11602560 19.027 4.316 1.331 9980854 19.042 0.911 1.321 58290828 19.057 4.320 1.471 134234736 19.061 3.833 1.322 89873168 19.066 7.563 1.321 64716568 19.078 7.181 1.469 110690072 19.100 4.502 1.321 8610534 19.530 6.557 0.546 6038033 19.557 4.067 0.548 10866019 19.565 4.313 0.548 8630966 19.581 7.380 0.547 16502498 19.584 1.990 0.548 25314142 19.584 0.804 0.548 44608192 19.594 8.207 0.550 6310924 19.647 0.882 0.547 40061960 19.662 3.822 0.547 8162876 19.868 8.760 0.856 6281892 19.874 6.930 0.855 14444066 19.879 2.704 0.854 12064789 19.881 2.221 0.853 60444484 19.888 1.139 0.854 67603136 19.903 4.227 0.854 35724568 19.904 1.581 0.853 28190726 19.925 9.451 0.853 3718587 20.594 8.245 0.913 39957676 20.827 2.071 0.914 113053992 20.946 3.078 0.980 9818101 20.960 6.588 0.977 20168364 20.965 8.327 0.961 27536954 20.967 9.132 0.980 9759280 20.969 0.511 0.979 14127114 20.977 7.630 0.975 13530205 20.988 3.674 0.974 35563572 20.993 6.861 0.978 7676380 20.999 4.099 0.957 12283149 21.050 2.866 0.967 5228604 21.075 1.638 0.795 5032510 21.141 8.609 0.792 7862128 21.167 1.325 0.666 4104593 21.169 2.127 0.791 42891408 21.173 1.298 0.789 7502278 21.178 3.178 0.791 26776016 21.180 8.673 0.969 9723993 21.183 8.782 0.789 11428931 21.186 4.569 0.652 9260564 21.188 9.108 0.655 5662662 21.191 1.709 0.683 10487723 21.195 2.904 0.654 20756698 21.196 0.357 0.789 38172092 21.197 7.607 0.656 5089206 21.203 4.069 0.784 18046094 21.216 3.065 0.654 10346306 21.216 1.913 0.653 35583972 21.219 6.548 0.778 6073448 21.221 8.241 0.656 10478666 21.223 2.718 0.780 3367380 21.224 2.602 0.788 6363052 21.232 3.676 0.657 14463049 21.239 -0.067 0.789 11812842 21.242 4.307 0.783 38736512 21.252 1.999 0.783 55621572 21.276 7.381 0.778 11411109 21.278 4.142 0.653 6919708 21.295 8.205 0.777 11849882 21.298 1.473 0.655 7121397 21.320 7.847 0.656 6563024 21.343 4.175 0.882 90160312 21.352 7.635 0.873 25257838 21.384 2.229 0.929 86105792 21.405 6.769 0.930 8778006 21.413 3.654 0.933 43418880 21.482 7.815 0.929 7697614 21.494 8.745 0.877 10248112 21.598 7.479 1.297 30953952 21.598 6.797 1.297 5029390 21.598 6.905 1.292 4445658 21.600 4.526 1.300 101458120 21.635 9.032 1.298 16301827 21.792 6.866 0.876 23656954 21.900 7.735 0.884 11016432 21.900 3.815 0.884 34299624 21.900 1.724 0.893 36217844 21.960 7.159 0.876 26585802 22.056 8.309 1.285 16650664 22.079 4.288 1.284 65597928 22.103 6.912 1.285 12544728 22.103 4.481 1.284 131644824 22.119 8.890 1.285 14380715 22.138 8.022 1.284 22279296 22.238 4.197 0.806 75852320 22.242 1.711 0.807 68375880 22.256 7.708 0.814 3767820 22.263 1.392 0.807 34840428 22.270 8.760 0.807 14047624 22.907 4.450 1.213 5712298 22.920 8.385 1.034 9434878 22.924 7.731 1.035 40076804 22.943 1.713 1.034 55678136 22.949 3.804 1.035 39784704 23.025 6.746 0.912 9029540 23.027 8.408 1.214 9127918 23.041 7.006 1.213 14744598 23.048 4.672 1.213 31754534 23.060 6.865 1.212 21596542 23.064 6.727 1.212 21202858 23.068 6.605 1.212 19447462 23.070 3.539 1.212 26281432 23.084 0.584 1.214 6787218 23.089 2.910 1.213 4187429 23.100 2.243 0.908 54012224 23.111 7.829 0.908 36608072 23.113 1.327 0.908 44788752 23.117 3.830 0.909 60772832 23.120 4.068 0.912 6550264 23.154 2.178 1.027 12801829 23.159 3.651 0.910 39534768 23.166 6.562 0.915 4826274 23.184 7.569 0.909 4583370 23.187 8.364 0.909 8275847 23.274 0.554 0.909 35796076 23.394 4.253 0.815 29973980 23.398 1.576 0.815 35542984 23.425 8.242 0.530 29958744 23.425 1.912 0.529 34169532 23.427 2.904 0.529 25223920 23.428 7.040 0.530 14077583 23.429 1.339 0.528 4596408 23.432 6.867 0.531 8530499 23.442 3.705 0.530 10180464 23.487 9.116 0.528 6257744 23.865 8.735 0.896 3951008 23.896 4.260 0.899 9805220 23.921 2.907 0.890 4484883 23.935 3.101 0.892 7060897 23.948 3.672 0.897 47199248 23.950 8.327 0.896 13020958 23.967 2.046 0.896 58124184 23.987 9.130 0.897 37647088 24.004 0.378 0.897 27777596 24.165 3.640 0.828 4905304 24.237 6.936 1.277 7973176 24.280 0.745 1.276 20233118 24.329 4.331 0.821 7510529 24.380 2.184 0.821 27745518 24.386 6.679 0.821 9998614 24.388 2.221 1.279 7751824 24.400 2.957 1.414 34540532 24.400 4.289 1.418 18475370 24.400 8.275 1.414 5772564 24.414 8.757 0.827 4985612 24.417 8.344 0.820 6917916 24.417 3.001 0.822 29071048 24.421 1.675 0.821 69602248 24.431 3.839 0.825 12023833 24.443 0.329 0.823 6368102 24.472 7.354 0.818 5246566 24.487 7.602 0.822 4014264 24.500 8.188 1.466 9978024 24.500 8.196 1.390 6254692 24.539 0.582 0.822 19600076 24.679 9.108 1.472 8612359 24.715 9.109 1.594 6548343 24.777 4.572 1.595 10926229 24.866 4.323 1.591 18855346 24.895 4.296 1.415 56401228 24.909 8.474 1.422 13886767 24.934 8.827 1.466 9165707 25.013 8.510 1.567 5343274 25.035 8.832 1.662 11215626 25.037 7.814 1.607 15084624 25.047 4.071 1.597 19618716 25.118 8.980 1.424 5717136 25.152 7.596 1.372 6912312 25.180 7.167 0.956 5174245 25.190 1.733 0.953 17987988 25.203 6.857 0.960 5940777 25.206 3.888 0.954 16028334 25.210 3.021 0.958 9991118 25.216 8.747 0.952 11406644 25.219 7.462 0.956 10579648 25.221 -0.075 0.953 14382008 25.226 3.399 0.955 14748890 25.244 0.371 0.954 15553598 25.248 7.598 1.520 12295632 25.255 7.040 0.955 12399508 25.269 2.622 0.954 27997104 25.282 2.134 0.954 45798688 25.288 3.181 0.953 40584720 25.289 4.381 0.953 50625908 25.291 8.601 0.955 42535164 25.297 4.057 0.953 8871805 25.362 2.995 0.817 18196816 25.427 3.838 0.819 15359798 25.452 2.191 0.818 42764308 25.454 1.673 0.817 78359360 25.454 7.347 0.824 4331873 25.515 6.676 0.815 6274744 25.527 8.349 0.815 5889848 25.533 8.746 0.815 5013908 25.650 3.893 2.080 11314066 25.666 3.072 2.078 6903693 25.679 1.911 2.079 64955052 25.682 2.079 1.914 54694600 25.703 3.889 1.914 13555157 25.704 1.410 1.913 16815794 25.706 1.413 2.081 21870462 25.750 1.331 1.077 31281912 25.784 8.344 1.326 10445449 25.797 1.719 1.088 12465623 25.804 1.078 1.323 28497196 25.805 2.903 1.074 8861691 25.819 0.356 1.081 17091664 25.822 7.684 2.090 3348094 25.823 8.083 1.078 4548982 25.829 8.355 1.070 6624396 25.829 0.362 1.319 11564484 25.829 7.670 1.906 3104331 25.875 0.668 1.321 9291757 25.912 3.696 0.183 10582595 25.912 2.743 1.124 9250173 25.933 1.121 0.184 64440744 25.944 0.186 1.127 45298412 25.955 2.745 0.183 11970134 25.967 3.692 1.125 11559624 25.971 1.689 0.183 8090780 25.982 4.541 0.179 4474794 26.081 4.206 1.125 3770608 26.109 1.599 0.888 36709172 26.114 7.705 1.819 3456612 26.159 3.748 0.882 17563652 26.169 8.746 0.884 8370668 26.169 1.387 0.884 25905320 26.214 8.182 1.808 10157202 26.223 1.709 0.885 61706292 26.235 1.024 1.808 21332674 26.246 1.520 1.809 25008340 26.252 3.839 1.808 9935678 26.263 1.020 1.513 28631710 26.266 8.166 1.510 9906412 26.267 2.158 1.813 6293374 26.285 3.846 1.512 6069098 26.298 2.150 1.511 12991579 26.321 2.227 0.890 6083398 26.389 4.226 0.889 10392147 26.442 0.857 1.712 62433536 26.475 8.528 1.461 4970450 26.479 3.639 1.679 5606314 26.494 4.566 1.474 13331779 26.511 8.752 1.718 11730139 26.549 3.647 1.471 5345465 26.582 1.484 1.668 98450120 26.601 3.086 1.471 26395082 26.611 3.076 1.669 25371366 26.626 8.523 1.659 4455896 26.631 4.565 1.669 10539069 26.946 8.345 1.684 9801808 27.009 8.236 1.576 15132949 27.069 4.256 1.577 10318260 27.118 3.842 1.574 5411917 27.160 1.713 2.255 5489636 27.217 6.965 1.322 7496798 27.223 4.065 1.317 12203742 27.228 7.380 0.984 5396424 27.231 7.234 1.318 21250226 27.237 3.932 1.319 18184868 27.243 0.751 1.317 60339444 27.256 0.938 1.750 27092724 27.257 4.227 1.419 7136346 27.258 0.857 2.236 10877919 27.269 7.656 1.413 11952545 27.275 3.100 1.391 30999794 27.282 3.892 1.387 19589678 27.305 1.907 1.416 31985228 27.311 9.451 2.233 9531391 27.319 8.365 1.755 20128332 27.331 4.200 1.745 26455998 27.350 2.684 2.255 15542885 27.351 0.978 2.249 5733238 27.361 2.566 2.241 16361070 27.374 8.345 3.297 6218462 27.408 7.355 3.280 4948574 27.409 4.238 2.253 15481247 27.415 8.902 3.296 6758626 27.453 2.654 3.296 17508722 27.467 7.081 1.968 4071659 27.493 3.296 2.655 20321416 27.495 1.772 1.164 7159777 27.502 8.910 2.654 6917589 27.509 3.051 3.287 7530388 27.512 3.054 2.659 7699714 27.517 3.785 3.296 5025164 27.519 0.973 1.167 25791132 27.525 7.320 1.682 6375925 27.535 -0.076 0.985 14599592 27.539 7.077 2.025 4099632 27.544 0.970 1.970 7031118 27.552 2.658 1.959 8958537 27.553 1.170 0.985 23605556 27.557 4.302 1.161 5011016 27.563 1.773 0.981 3391089 27.563 0.974 2.028 6426908 27.565 3.606 0.987 5183832 27.566 3.619 1.162 5295515 27.573 8.283 0.999 6131028 27.579 -0.072 1.164 12187670 27.580 8.266 1.173 8256464 27.582 4.297 0.993 6954234 27.584 8.336 2.666 3411731 27.592 2.975 1.836 12722838 27.593 7.698 1.967 17460336 27.605 0.834 1.834 9103200 27.607 3.652 1.991 42840984 27.610 4.372 2.014 8519213 27.615 3.968 2.032 14000109 27.619 3.278 1.682 57955352 27.622 7.695 2.035 17537828 27.623 4.096 2.024 10696630 27.630 7.980 1.837 15124019 27.635 4.121 1.673 21747076 27.637 7.850 1.681 20692374 27.659 2.653 2.038 12039114 27.740 3.787 0.556 3748672 27.758 1.580 0.529 18554120 27.769 6.908 1.564 7517152 27.774 3.795 1.556 6042854 27.779 7.384 1.178 3895271 27.815 6.908 0.516 3384411 27.819 0.520 1.566 31872628 27.826 0.295 0.528 6156524 27.856 3.988 1.559 3476229 27.860 0.290 1.565 7160914 28.201 4.036 1.970 14634883 28.297 2.305 1.886 9773978 28.357 7.270 1.887 15430058 28.367 7.273 1.971 12087668 28.379 4.031 1.886 16352899 28.392 9.115 1.685 5678958 28.401 8.159 1.965 4673170 28.404 8.158 1.886 5177654 28.450 4.574 1.680 32785124 28.483 2.184 1.885 15662250 28.601 2.173 1.989 20735464 28.679 0.101 0.298 8105903 28.697 0.097 0.800 6263808 28.701 0.597 0.294 12531345 28.707 0.598 0.797 14225808 28.731 6.891 0.795 5473430 28.738 0.296 0.793 19257208 28.744 0.797 0.295 19189184 28.763 1.347 2.157 7690764 28.772 1.025 2.154 9839376 28.793 7.740 2.155 15052541 28.794 7.545 2.157 30159294 28.818 4.010 2.159 23498080 28.875 2.361 2.159 71191928 28.905 2.887 0.289 3957008 29.020 3.720 2.178 8482238 29.052 4.289 3.278 6240572 29.064 0.743 2.170 7158988 29.093 4.436 2.160 6462022 29.098 9.303 2.170 9623687 29.117 7.068 3.278 8462000 29.119 4.291 3.345 7447975 29.129 7.082 3.346 7559043 29.187 8.227 1.687 6427411 29.201 8.153 3.346 4261993 29.209 8.154 3.309 4152826 29.211 4.300 1.660 64429144 29.238 7.597 1.646 10739032 29.246 3.718 1.664 29995800 29.454 4.014 2.072 46431128 29.471 8.222 2.071 45765696 29.479 7.158 2.070 16559153 29.527 4.551 1.660 31475040 29.592 0.948 2.075 14045933 29.661 6.393 1.666 9482578 29.661 7.960 1.672 9596068 29.668 8.521 1.660 8467640 29.679 3.635 1.807 9262129 29.747 8.528 1.802 4619074 29.748 4.201 2.086 13935656 29.759 8.843 1.660 6569364 29.784 7.969 1.857 8813021 29.784 4.568 1.804 24893870 29.799 7.975 2.091 14768104 29.832 6.392 1.813 6768693 29.880 8.727 2.087 7989766 29.900 4.242 2.014 9887284 29.971 7.086 1.859 20377504 29.978 3.042 1.808 38658812 29.979 8.732 1.852 4647308 29.992 1.590 2.180 7520398 30.034 7.084 1.943 17952714 30.069 4.488 1.936 8872081 30.083 7.316 1.937 10403751 30.085 7.846 1.939 33560628 30.096 4.141 1.929 42685968 30.102 3.839 2.185 24924398 30.104 8.243 1.988 9031212 30.108 0.826 2.183 24866690 30.114 4.194 2.184 18362784 30.128 7.805 2.186 17849464 30.131 8.732 2.186 22755150 30.136 3.241 1.930 19554152 30.151 8.475 1.997 10154528 30.167 8.468 1.891 15826055 30.173 4.165 1.869 51160128 30.211 8.120 1.484 4973020 30.241 4.017 1.490 8531573 30.261 0.434 1.379 4623480 30.266 0.730 1.490 22808806 30.268 8.324 3.201 10035013 30.270 1.492 0.740 15836265 30.279 7.158 0.735 8588098 30.294 7.155 1.495 12913507 30.297 1.867 3.177 8866983 30.299 1.876 3.026 14201003 30.301 8.132 0.732 5728545 30.304 3.996 1.372 6389178 30.306 8.313 3.012 15130228 30.309 6.930 3.202 3362548 30.311 4.430 3.197 28881666 30.322 8.290 1.872 25789040 30.338 1.718 1.369 38520692 30.358 1.497 1.494 51436680 30.364 8.341 0.850 5573824 30.364 0.907 1.945 36318132 30.381 6.596 3.010 13056582 30.394 1.949 0.848 26887436 30.398 1.371 1.732 34127320 30.410 0.749 1.371 15347894 30.416 0.991 1.369 18732876 30.431 6.941 3.012 24196142 30.441 4.000 1.732 11753575 30.460 0.744 1.731 13919630 30.479 4.528 3.014 95462624 30.486 0.434 1.733 8432381 30.526 6.644 1.377 4001437 30.567 6.655 1.718 5678724 30.824 1.077 1.697 91666624 31.097 3.706 1.917 11480724 31.133 9.111 1.926 7148829 31.136 3.706 1.713 14135848 31.169 0.657 1.920 26348752 31.169 0.533 1.922 25576324 31.173 8.243 1.922 16204427 31.253 3.190 2.146 5554380 31.269 7.730 1.721 13071278 31.287 8.389 1.723 11568557 31.401 8.752 2.140 12763517 31.457 8.602 2.139 17332166 31.463 0.797 2.140 32571284 31.611 6.607 1.504 5482210 31.631 9.956 1.782 4864136 31.650 1.320 2.249 4794372 31.659 7.466 1.500 8886348 31.666 2.593 1.774 6343027 31.675 7.826 2.246 17402050 31.685 1.759 1.504 23884446 31.689 3.840 2.248 14963033 31.689 7.460 1.310 6169153 31.692 0.924 2.246 82162600 31.695 8.368 2.250 18290212 31.695 6.860 1.776 3498261 31.700 7.142 1.506 25389012 31.700 4.108 1.504 24440322 31.700 7.290 1.907 7520471 31.706 1.980 1.310 11819143 31.710 1.315 1.504 92046888 31.716 1.768 1.310 21291286 31.717 1.978 1.506 19251674 31.722 4.113 1.311 24202998 31.734 6.893 1.920 4025789 31.750 7.137 1.309 12373925 31.756 1.506 1.310 71568800 31.921 0.974 2.137 110453752 31.934 2.817 2.085 6929141 31.937 4.334 2.143 5319086 31.937 3.845 2.137 30311696 31.984 8.302 2.136 30171044 31.985 6.948 2.086 3659810 32.018 2.811 2.009 6714806 32.054 4.520 2.085 10732096 32.095 4.523 2.005 12024772 32.100 9.039 2.019 5700480 32.136 6.954 2.004 4347202 32.138 9.130 2.048 19495806 32.157 8.911 1.928 5201058 32.191 8.327 2.052 21179298 32.218 3.668 2.263 20035342 32.244 8.471 2.268 9626285 32.270 2.968 1.819 13601350 32.299 8.504 1.995 10482376 32.305 2.985 1.943 9597347 32.305 2.264 1.841 156205744 32.313 4.383 2.265 55222720 32.313 7.277 1.828 15767604 32.317 1.840 2.265 168763936 32.320 8.485 1.845 16148895 32.323 4.345 1.840 42329552 32.329 2.972 1.993 7592615 32.333 1.999 2.265 90021760 32.343 3.646 1.844 14189193 32.382 7.606 1.823 39895520 32.429 3.869 1.823 44410772 32.507 3.910 1.991 19502306 32.544 4.323 1.956 26540420 32.555 4.485 1.885 12702100 32.570 8.215 1.882 17022188 32.574 3.021 1.617 5244972 32.607 0.990 2.674 4959546 32.610 1.595 2.642 4459218 32.618 8.849 1.812 13030879 32.645 3.620 1.638 3686015 32.647 7.610 1.976 15929618 32.650 8.835 1.862 14821641 32.652 8.213 1.958 13829946 32.667 1.988 2.664 30544518 32.669 7.813 1.970 31098866 32.674 8.834 1.627 7110936 32.675 4.497 1.630 11863793 32.676 8.841 1.986 12079826 32.680 4.076 1.975 29315536 32.687 1.497 1.629 27885430 32.703 1.857 1.631 58549816 32.711 8.471 2.067 9620657 32.715 8.669 1.801 7523071 32.719 7.065 2.659 7825166 32.721 7.072 2.326 7434052 32.727 8.448 1.731 20771524 32.730 2.321 2.667 104183832 32.731 2.662 2.324 121510176 32.732 0.948 2.328 6162532 32.737 7.736 2.663 27115628 32.744 7.739 2.324 20701350 32.750 4.073 2.662 10175400 32.793 8.454 1.917 11089944 32.820 1.996 2.325 57913992 32.854 3.738 1.922 9374025 32.889 3.738 1.730 11405782 32.916 4.124 2.057 30668154 32.929 0.910 2.057 165199760 32.966 4.050 2.327 10044110 32.989 8.254 2.051 27949378 33.051 0.924 1.741 15031235 33.200 4.523 1.732 11469104 33.225 4.506 1.847 7418631 33.242 1.489 1.982 56346416 33.297 3.035 2.195 4470188 33.319 6.907 2.205 5369901 33.328 8.472 1.780 30510742 33.333 8.308 1.741 28856658 33.340 4.284 1.733 89993256 33.341 2.966 1.739 19385128 33.358 7.280 2.195 23116984 33.365 1.425 1.733 180202640 33.374 9.048 1.841 4762469 33.376 1.945 2.192 45670568 33.391 7.283 2.329 32727800 33.406 2.734 1.726 6319520 33.440 3.032 2.328 5786051 33.446 4.125 1.769 26362884 33.460 6.914 2.328 6833192 33.461 7.146 1.985 14218001 33.470 7.139 1.771 8601266 33.472 7.012 1.985 15642513 33.495 4.042 2.203 5005429 33.502 1.767 2.596 22365940 33.505 7.476 1.738 7107217 33.518 7.011 1.770 11378371 33.519 6.673 1.990 8036816 33.535 4.188 3.012 5768356 33.540 1.923 2.595 16201718 33.542 7.865 1.722 8747475 33.543 1.779 3.019 12614407 33.545 9.000 1.733 8379507 33.562 3.013 2.598 88167544 33.567 4.312 1.968 30388516 33.568 3.959 2.598 17479372 33.573 2.595 3.014 100023752 33.577 6.680 1.769 4333486 33.579 7.292 3.016 19025510 33.579 1.907 3.016 15115519 33.583 7.293 2.598 10468833 33.600 8.452 1.725 18532672 33.608 8.958 1.945 3312617 33.610 2.192 3.013 8358786 33.610 3.950 3.016 12845749 33.725 7.434 1.997 7662729 33.778 0.783 1.997 34662888 33.779 0.550 1.995 25481694 33.787 8.206 1.995 18603824 33.811 9.478 2.568 4325914 33.821 4.467 1.713 26326968 33.826 0.996 2.564 4356705 33.855 9.447 2.696 5069398 33.857 1.291 2.568 6412968 33.858 0.852 2.574 6517822 33.864 2.240 2.568 35451540 33.873 7.077 2.680 5424836 33.877 7.706 2.691 10763504 33.879 4.215 2.572 8075220 33.890 7.702 2.568 9926812 33.894 0.994 2.695 6295159 33.895 2.243 2.694 31083014 33.901 4.235 2.690 8575797 33.902 9.120 1.691 15250796 33.907 0.849 2.693 10231424 33.945 1.289 2.697 5183238 33.963 9.295 2.328 4795330 34.043 3.710 2.330 10005029 34.052 8.927 1.526 3709873 34.068 7.829 2.343 27717252 34.069 9.111 1.519 6901058 34.071 0.757 2.349 6273270 34.076 6.941 2.414 6463830 34.100 7.560 2.366 13509162 34.112 1.535 2.079 50044484 34.126 4.571 1.525 9206949 34.127 9.111 2.089 5477172 34.129 2.074 1.526 43320360 34.134 4.577 2.078 13142048 34.137 6.931 2.366 6082192 34.142 4.010 2.372 15331052 34.167 8.925 2.072 4813831 34.168 6.915 1.522 4061852 34.169 4.007 2.415 16316153 34.171 7.782 2.414 19928484 34.180 6.915 2.078 3489641 34.183 7.544 2.414 11611356 36.204 7.075 2.100 8093514 36.220 4.127 2.101 16020134 36.297 8.476 2.241 8906145 36.329 7.079 2.177 12548264 36.340 4.126 2.175 16924170 36.351 7.754 2.426 4881024 36.395 8.226 2.258 21683212 36.413 7.135 2.260 6469192 36.428 8.226 2.420 22239586 36.445 4.014 2.262 26138468 36.451 4.011 2.421 20593172 36.483 0.975 2.423 10126858 36.510 7.154 2.422 6048378 36.577 0.832 2.182 29246014 36.609 2.883 1.552 6681546 36.615 0.820 2.264 28257338 36.621 7.771 2.264 10260386 36.631 8.739 2.184 10000461 36.652 0.790 1.546 7637948 36.660 0.285 1.544 5372722 36.672 0.594 1.546 11875608 36.674 7.271 1.546 10514001 36.697 7.787 2.178 11058785 36.709 6.894 1.548 11500540 36.744 3.842 2.274 10653429 36.758 8.740 2.274 8691669 36.761 0.101 1.545 20200898 36.839 3.842 2.185 14257383 36.928 4.101 3.077 8922286 36.929 6.590 3.070 5892870 36.933 7.287 2.831 4146614 36.938 8.951 3.075 11035590 36.938 8.948 2.843 7019795 36.939 2.839 3.074 53263116 36.943 7.642 3.079 13103591 36.947 4.473 3.068 8363000 36.953 6.590 2.841 7068870 36.972 3.072 2.838 55855816 36.986 7.637 2.837 13340266 36.999 0.985 3.081 4040010 37.043 4.471 2.838 12542230 37.049 4.099 2.833 5033242 37.089 7.289 3.068 5964989 37.229 -0.078 1.743 5406718 37.240 8.348 1.735 8423248 37.326 4.056 1.739 18293510 37.329 0.960 1.737 9817498 37.335 0.668 1.740 31358586 37.343 0.369 1.736 16104663 37.349 1.073 1.743 12103262 37.369 1.330 1.736 8827725 37.372 7.032 1.737 14322933 37.422 8.097 1.744 3781139 37.510 2.908 1.737 5223325 37.660 3.793 1.660 7501368 37.687 0.291 1.657 29377256 37.697 0.440 1.661 16913490 37.710 6.911 1.657 16848082 37.809 1.816 2.803 5165156 37.818 6.801 2.800 5147076 37.861 3.605 1.976 4348479 37.869 7.756 2.798 18587500 37.872 3.959 1.963 12622161 37.879 8.336 1.964 14449943 37.881 8.672 2.799 24851602 37.881 4.437 2.800 51113700 37.882 0.949 1.963 38382588 37.922 1.324 1.888 38831008 37.939 0.771 1.888 52288908 37.942 7.237 1.889 32347208 37.994 9.122 1.891 8073614 37.995 6.963 3.098 8045697 38.003 4.064 1.889 20448218 38.071 4.666 3.089 6206316 38.079 9.299 3.100 4519743 38.083 3.095 2.504 33104494 38.092 8.141 2.504 9974917 38.093 0.742 3.100 4310980 38.107 2.500 3.097 31727692 38.116 8.139 3.096 9022275 38.126 4.310 3.107 3270433 38.138 4.674 2.503 8269458 38.145 4.338 2.496 5672430 38.171 9.292 2.505 3834378 38.174 6.978 2.506 6750489 38.354 7.570 1.892 4005345 38.366 8.522 2.919 5697223 38.394 6.768 1.901 8922376 38.400 0.367 1.771 7136596 38.414 7.002 2.916 14337426 38.414 7.575 2.298 6716024 38.418 -0.078 1.766 11428714 38.419 8.166 1.898 10976022 38.432 7.271 2.920 8577323 38.437 1.171 1.767 7752912 38.442 4.193 2.912 9995086 38.447 3.185 1.768 10613529 38.447 0.947 1.767 29759934 38.451 8.284 1.766 13226587 38.454 1.893 2.303 25381992 38.454 9.136 1.766 7536408 38.460 8.167 2.300 9394294 38.463 6.760 2.309 9024849 38.485 2.304 1.896 27078844 38.493 4.029 2.301 7166314 38.516 2.996 2.299 7756424 38.534 4.482 2.929 9176032 38.535 1.543 1.776 4551127 38.566 4.502 3.016 13122222 38.586 6.832 3.018 9061265 38.588 7.767 3.016 13008921 38.617 4.503 3.122 14264221 38.641 8.595 3.017 6560718 38.642 8.600 3.125 5597530 38.646 2.972 1.909 4957295 38.670 7.770 3.124 12872667 38.831 0.590 2.154 8823246 38.841 1.517 2.155 11689167 38.845 1.826 2.156 10837379 38.875 4.371 2.155 15224360 38.896 1.009 2.149 36909860 38.901 8.167 2.152 8956313 38.959 7.546 2.699 21435062 38.965 6.860 3.418 3630093 38.969 4.488 2.701 26437584 38.975 7.053 3.584 10764131 38.977 7.553 2.758 18229366 38.983 4.490 2.760 29032354 38.984 7.151 3.406 9395609 38.984 7.156 3.237 9343908 38.988 6.900 2.717 6915670 38.989 4.312 3.165 8926475 39.000 4.562 3.216 5478034 39.001 7.944 3.407 9327017 39.002 7.945 3.227 9741497 39.003 7.304 3.579 11157888 39.003 8.237 3.584 6617366 39.010 4.309 3.577 6432458 39.014 3.233 3.411 24087314 39.016 7.310 3.168 12146585 39.018 7.055 3.166 12554001 39.027 3.593 3.168 26547530 39.030 3.164 3.582 23332138 39.030 8.520 3.235 6942416 39.032 3.410 3.238 21764082 39.045 8.238 3.175 5059155 39.053 4.566 3.413 8614201 39.059 4.663 3.579 6360544 39.233 6.737 3.164 11080924 39.252 2.913 3.160 26878586 39.252 3.716 3.162 9118863 39.263 8.112 1.866 4803272 39.278 1.572 3.390 3541434 39.318 2.000 2.786 7989066 39.319 3.152 2.899 25651318 39.337 0.415 1.651 3587634 39.341 9.574 3.353 7032960 39.346 1.630 2.754 4710449 39.358 3.707 2.891 7732456 39.359 6.940 3.352 8634606 39.381 8.580 3.349 13035252 39.383 2.809 3.350 26764864 39.387 2.736 1.872 19024090 39.398 3.350 2.805 30667084 39.398 1.151 2.803 7041324 39.408 1.863 2.734 21128616 39.409 1.257 2.805 4958465 39.414 1.381 1.648 7863106 39.415 6.930 2.801 10362669 39.419 0.443 2.735 5449261 39.422 8.589 2.804 13610537 39.425 6.400 1.867 8891131 39.427 4.579 1.870 3704949 39.433 8.135 2.726 4740506 39.437 3.723 1.639 4071910 39.437 3.999 1.647 13089434 39.438 0.740 1.649 13038119 39.451 1.001 1.650 30875660 39.455 1.642 1.876 3552337 39.457 9.582 1.651 5459754 39.469 6.402 2.732 7128591 39.511 0.427 1.869 3683024 39.664 8.758 2.641 10115305 39.712 7.330 2.633 7273301 39.757 9.114 2.599 7531314 39.765 7.329 2.929 11416069 39.769 8.758 2.930 13716981 39.816 9.111 2.834 8983709 39.842 4.134 2.829 16083543 39.860 4.149 2.598 16352887 39.906 2.900 2.646 126715160 39.917 4.558 2.847 8748764 39.971 9.578 2.693 7386082 39.996 9.576 2.850 13674880 40.010 4.298 2.997 12809976 40.036 0.860 2.820 6661100 40.040 8.897 3.008 7479449 40.061 7.596 2.691 3362944 40.066 1.663 2.798 5375248 40.074 8.301 3.001 20750388 40.079 4.315 2.808 36324836 40.083 6.865 2.812 8202702 40.088 4.370 2.649 26337262 40.102 8.060 3.094 17344616 40.104 8.891 3.097 11466954 40.105 7.396 3.095 13706689 40.106 4.011 3.090 5616346 40.107 3.814 2.999 9613656 40.113 4.420 3.092 22762174 40.131 7.619 2.845 4978590 40.143 8.265 2.646 16289889 40.144 1.291 3.095 7117850 40.145 8.259 2.884 23042904 40.147 8.904 2.804 5363449 40.175 3.797 2.805 7448086 40.369 4.012 2.796 14169332 41.230 6.938 2.222 3691654 41.334 1.291 2.220 13157339 41.342 0.851 2.217 32582728 41.352 1.142 2.220 17806242 41.384 7.471 2.218 11472588 41.442 9.010 2.216 4743968 41.582 0.695 3.026 11582529 41.588 0.695 3.146 10685188 41.591 4.013 3.150 12300719 41.593 0.415 3.144 10444487 41.735 4.006 3.011 14206233 41.775 2.189 1.662 4233345 41.859 8.137 2.818 4005702 41.861 7.306 1.672 7458714 41.874 0.821 1.666 56131112 41.876 6.909 2.824 7609124 41.885 8.348 1.668 27454806 41.888 7.606 1.669 12691994 41.911 8.144 3.045 9042545 41.913 0.287 2.816 8162761 41.914 4.493 2.823 16544824 41.922 4.333 1.663 9599684 41.947 0.297 3.043 16928928 41.956 9.118 2.807 4754999 41.958 1.031 1.668 7109006 41.977 6.915 3.044 16279089 42.025 9.114 3.048 9229834 42.046 7.052 2.950 6589256 42.058 2.565 2.568 277327520 42.059 2.724 2.722 322676224 42.084 2.569 2.725 138270400 42.085 4.654 2.724 23117852 42.086 4.655 2.566 18698536 42.087 2.725 2.566 147209328 42.099 7.650 2.568 17981512 42.106 0.782 2.571 6404908 42.108 7.649 2.724 12657985 42.148 7.965 2.938 4445600 42.160 0.798 2.725 5157742 42.176 6.643 2.958 47903084 42.177 4.299 2.965 31723930 42.181 8.323 2.944 7381895 42.296 0.947 2.968 49013748 42.346 6.541 3.046 22372986 42.355 0.868 1.573 24336276 42.355 0.850 1.482 22646692 42.359 8.246 1.481 17108148 42.368 4.255 1.482 26878674 42.380 4.257 1.573 23604492 42.404 8.239 1.574 26435282 42.641 7.461 3.389 4493917 42.663 7.024 3.399 8489202 42.668 5.041 2.607 6944393 42.672 8.833 3.393 8724017 42.677 5.038 3.396 11018918 42.698 0.954 2.621 11528252 42.699 6.836 3.383 5806885 42.703 3.398 2.618 22814714 42.707 2.615 3.397 24844028 42.708 0.954 3.399 7846031 42.709 7.456 2.621 8150431 42.712 7.030 2.621 9867829 42.762 3.384 3.394 28073606 42.782 8.829 2.619 3729012 42.898 1.921 3.132 29980998 43.069 2.078 3.056 21491994 43.104 3.886 3.057 15133192 43.130 1.409 3.056 73951000 43.151 6.929 1.388 3854034 43.157 3.890 3.136 16438349 43.182 2.079 3.135 22459858 43.186 1.407 3.132 75677192 43.196 7.656 3.057 8966750 43.200 1.896 3.063 21936724 43.204 7.659 3.131 9779763 43.205 3.745 1.678 5401015 43.218 6.918 1.683 4983900 43.239 4.195 1.684 11218364 43.245 1.388 1.684 42681076 43.247 8.749 1.379 5808060 43.253 8.753 1.682 9911788 43.258 0.862 1.682 29897212 43.259 4.197 3.210 47988832 43.269 0.955 3.213 27114902 43.271 7.972 2.997 3928558 43.281 6.392 3.209 14987702 43.281 4.198 1.381 14915662 43.283 1.752 3.216 102125576 43.283 1.688 1.380 42307984 43.286 7.969 3.190 5103045 43.292 0.850 1.382 31091218 43.308 6.388 2.978 10536216 43.318 0.839 2.974 8132524 43.320 8.361 3.219 5809612 43.328 4.192 2.977 9867711 43.335 1.840 2.977 32874438 43.339 4.120 3.305 11740841 43.341 1.929 3.304 20031798 43.344 2.100 2.977 8768052 43.344 7.841 3.287 7781564 43.351 7.844 3.260 8543760 43.361 1.682 3.305 53032912 45.752 3.774 3.952 88991088 45.762 3.956 3.766 103642896 45.768 8.765 3.769 6555905 45.780 7.240 3.953 7665385 45.787 7.235 3.765 9537228 45.838 8.754 3.958 5916070 50.429 6.322 2.749 5332302 50.484 0.185 3.683 10243438 50.500 4.518 2.746 19593516 50.501 2.743 3.684 53927292 50.511 3.693 2.746 45104884 50.511 1.132 2.747 21786534 50.511 6.327 3.678 4853884 50.520 1.127 3.684 34570020 50.526 0.186 2.747 11236894 50.563 1.706 2.748 6251715 50.618 1.692 3.684 20525358 50.624 4.548 3.683 66640568 50.639 1.998 3.683 58035316 50.647 1.992 3.611 64202228 50.655 1.829 3.682 20072526 50.656 0.655 3.611 13825876 50.662 1.826 3.611 28478590 50.662 4.564 3.612 66177056 50.673 2.258 3.682 12618521 50.688 0.663 3.684 10941970 50.770 1.672 3.614 19677100 50.866 2.260 3.614 21437902 50.872 1.485 3.610 6573365 50.970 6.937 4.533 8527365 50.989 1.303 4.532 95802568 50.999 9.037 4.533 31043992 51.011 6.799 4.532 12523152 51.029 7.475 4.534 17203472 51.170 1.297 3.614 7639600 52.352 8.525 4.575 6094918 52.445 1.483 4.569 12902010 52.482 3.656 4.567 66771456 52.484 1.673 4.567 29641142 52.493 1.801 4.566 23750036 52.502 3.072 4.570 23477924 52.543 0.657 4.569 14157232 52.569 2.000 4.558 11588528 52.788 9.035 4.512 5187276 52.792 1.477 4.321 91414536 52.799 2.744 4.518 28573922 52.806 7.180 4.321 35239412 52.808 1.136 4.517 26691092 53.196 6.753 3.808 4102596 53.259 0.911 3.816 46268576 53.261 0.543 3.813 11844812 53.264 1.326 3.816 68698064 53.270 7.562 3.818 22663282 53.291 4.473 3.820 6052375 53.825 2.076 4.581 23160264 53.845 9.109 4.584 8375028 53.846 3.057 4.580 8969645 53.850 1.670 4.582 35995788 53.853 1.525 4.584 29868504 53.854 3.775 4.587 7507488 53.867 8.928 4.581 14265798 54.522 7.639 4.490 18860798 54.557 7.616 3.747 4834086 54.558 7.477 4.487 19511332 54.571 6.734 3.427 4141733 54.577 3.420 3.418 145485664 54.581 8.754 3.747 4665511 54.581 1.413 3.416 36252132 54.587 2.737 4.490 60688272 54.590 0.731 3.413 9609568 54.590 7.123 3.415 12200357 54.593 8.159 3.414 13590827 54.595 1.365 3.748 5456554 54.595 1.702 3.744 14187212 54.604 8.517 3.742 15551212 54.607 1.575 3.743 44001844 54.608 4.171 3.745 11511701 54.614 0.750 4.649 3129966 54.626 0.883 3.744 42243164 54.673 2.564 4.655 27924194 54.686 7.649 4.658 19489394 54.710 7.385 4.657 22968104 54.782 2.726 4.656 40378464 55.175 -0.069 4.278 6407770 55.199 1.174 4.277 4187345 55.200 1.353 4.468 27168792 55.206 0.763 4.466 7642420 55.207 7.976 4.234 8129557 55.212 7.762 4.232 22163046 55.213 2.956 4.254 9767574 55.213 9.121 4.467 12652276 55.214 7.394 4.273 13853679 55.216 8.529 4.466 44557832 55.218 7.606 4.274 20145854 55.220 0.923 4.270 16546843 55.220 0.983 4.277 15573996 55.223 1.571 4.241 112720552 55.225 1.686 4.469 69634040 55.248 2.245 4.502 6053214 55.264 0.821 4.257 47619488 55.273 2.214 4.241 5994496 55.274 3.629 4.499 25031676 55.323 8.832 4.502 10274751 55.359 8.270 4.259 58966956 55.536 0.099 3.777 18646058 55.536 0.914 3.775 10781951 55.538 8.381 3.777 15282966 55.539 3.288 3.774 11844866 55.542 1.142 3.776 47230164 55.542 0.295 3.783 7641444 55.560 0.599 3.779 14342511 55.582 2.639 3.775 7517070 55.590 8.894 3.774 4658894 55.612 7.344 3.780 6379922 55.634 7.967 4.091 3773725 55.650 1.713 3.772 3712508 55.658 3.076 4.095 11055782 55.712 2.835 4.095 5675332 55.732 1.552 4.097 63945256 55.735 7.634 4.097 5889319 55.744 8.331 4.096 22330682 55.761 0.968 4.097 9413433 55.850 8.973 4.096 3509409 55.937 0.952 5.038 4715906 56.015 6.606 4.466 5303496 56.025 8.946 4.472 10843338 56.035 7.031 5.037 23301808 56.036 8.834 5.036 22827310 56.037 3.402 5.037 21481454 56.050 2.624 5.034 14894076 56.072 7.462 5.036 12656003 56.079 7.004 4.470 18694372 56.102 7.286 4.466 12858308 56.227 8.284 4.314 139484400 56.248 8.477 4.253 85417064 56.252 7.757 4.437 6734995 56.274 8.684 4.436 15624786 56.274 2.804 4.440 69899912 56.293 2.649 4.436 17556150 56.301 1.944 4.323 76468952 56.341 3.837 4.311 14391098 56.349 0.917 4.307 15976648 56.365 7.478 4.312 10627682 56.389 6.937 4.315 6105806 56.395 2.971 4.306 9690864 56.398 6.808 4.317 4472808 56.402 8.986 4.309 8213194 56.455 1.667 4.445 5222171 56.565 1.981 4.247 43792856 56.605 1.390 4.193 32009816 56.609 2.227 4.247 25344792 56.624 6.941 4.193 6862514 56.636 0.812 4.191 70709200 56.674 8.753 4.189 12465633 56.693 1.504 4.123 30147606 56.723 8.279 4.139 27418338 56.724 7.459 4.121 8823987 56.738 1.316 4.123 35542904 56.791 7.125 4.121 27267240 56.798 1.870 4.132 74479584 56.851 2.121 4.129 27232610 57.005 1.499 4.006 14969600 57.006 0.722 4.006 15152934 57.008 0.429 4.004 7591214 57.013 8.765 4.117 14965969 57.027 7.166 4.005 16483244 57.063 3.028 4.005 18323140 57.132 6.328 3.924 12150162 57.137 6.979 3.920 20119942 57.137 6.912 4.497 17266694 57.139 0.750 3.926 12747369 57.139 2.823 4.498 33323214 57.141 3.124 3.924 27636562 57.144 8.129 4.499 6097438 57.145 7.844 4.496 5711750 57.180 8.751 3.886 11863342 57.189 1.394 3.889 33030248 57.191 1.910 3.889 32284930 57.193 3.048 4.494 21932536 57.210 9.080 4.480 3354321 57.215 1.938 4.500 15742996 57.222 2.079 3.886 20289400 57.223 7.660 3.887 53893856 57.245 3.277 4.493 6444257 57.290 1.691 4.499 7011200 57.301 8.302 4.324 37749216 57.357 8.158 4.027 7581772 57.380 3.859 4.311 9261603 57.390 1.895 4.033 32881048 57.395 2.188 4.029 10187363 57.406 7.322 2.995 7283496 57.413 8.903 4.304 5467000 57.416 9.577 4.303 23363970 57.423 7.264 4.031 19559418 57.432 6.935 4.305 7593116 57.432 2.670 4.303 45614936 57.437 7.626 4.303 18376076 57.442 2.821 4.310 63457408 57.458 1.887 2.997 7680527 57.464 8.164 3.002 3469664 57.465 0.820 2.997 37922300 57.467 8.346 3.000 12489812 57.469 2.302 2.999 11309501 57.476 7.596 2.995 6921650 57.479 1.675 2.996 30603546 57.483 7.571 4.032 7833072 57.498 1.827 4.303 18744310 57.530 6.742 2.997 5081859 57.533 2.949 4.293 26602080 57.581 2.646 4.392 41499668 57.623 1.477 4.395 22857138 57.635 8.254 4.391 24529582 57.677 6.727 4.589 5906872 57.703 7.185 4.393 5296392 57.721 2.735 4.583 13109602 57.725 8.101 4.584 10643435 57.749 6.394 4.584 26984438 57.776 1.659 4.586 7915888 57.779 1.848 4.584 12647518 57.780 1.722 4.408 12930485 57.800 2.639 4.258 36736080 57.815 7.328 4.253 8359288 57.832 9.137 4.255 4665414 57.847 8.076 4.155 4499968 57.852 8.754 4.257 19384118 57.874 0.655 4.150 8256201 57.886 3.098 4.415 49063636 57.896 1.933 4.409 15372109 57.897 0.962 4.415 15960651 57.903 8.246 4.149 8455984 57.917 2.840 4.147 17183236 57.931 2.597 4.148 26856160 57.943 2.049 4.256 16644705 57.966 9.110 4.147 12789846 57.967 8.059 4.417 41038240 58.075 8.840 4.399 48047124 58.141 0.903 4.492 15247585 58.146 8.429 4.493 10805364 58.150 8.212 4.491 74140400 58.151 3.841 4.491 89270376 58.378 0.855 4.227 40640284 58.429 9.451 4.229 10999684 58.437 2.342 3.951 8239365 58.438 2.231 4.219 49600104 58.439 2.656 3.949 5316256 58.441 6.908 4.223 3776294 58.446 7.698 3.949 16562393 58.447 1.970 3.950 53872484 58.449 0.938 3.951 34401976 58.482 8.333 3.952 10869020 58.498 7.079 3.950 4888670 58.504 1.348 3.701 4802161 58.535 1.334 4.219 3370495 58.552 9.303 3.712 12385237 58.558 7.619 3.711 6443060 58.591 2.185 3.711 27205608 58.591 7.845 3.711 13828163 58.599 0.527 3.712 14133372 58.601 0.736 3.711 28164216 58.607 2.310 3.710 18122968 58.620 1.916 3.710 20632516 58.629 2.186 4.191 43994684 58.658 8.241 3.710 8721614 58.667 7.088 4.294 17003520 58.679 8.370 4.187 17583090 58.705 3.337 4.296 36447268 58.705 2.070 4.293 19089788 58.713 7.779 4.187 11831695 58.715 8.201 4.296 11599765 58.778 3.206 4.188 24977366 58.796 9.124 3.703 3953728 58.803 1.863 4.187 63223896 58.805 2.794 4.006 15662723 58.815 8.730 4.186 8776647 58.848 1.395 4.013 5971448 58.869 2.586 4.010 9958158 58.879 7.546 4.005 12316875 58.919 8.163 4.196 3582049 58.940 1.161 4.333 3817832 58.940 1.694 4.332 13074221 58.944 7.609 4.188 7817066 58.958 2.995 4.190 4665502 58.969 7.975 4.186 15887996 58.988 2.409 4.010 29474764 59.016 1.514 4.186 21703254 59.049 2.815 4.329 11414821 59.065 7.942 4.346 3870673 59.077 1.872 4.331 23275676 59.088 1.583 4.331 25960010 59.117 8.537 4.332 15720966 59.123 3.283 4.118 8193274 59.153 2.076 4.008 57111244 59.157 7.603 3.851 24819152 59.159 7.267 3.858 6849554 59.166 1.351 3.852 31517996 59.178 2.835 4.116 13284757 59.181 1.823 3.852 51612432 59.181 1.957 4.078 60506388 59.189 0.967 4.011 13561928 59.194 2.647 4.078 12152930 59.198 7.818 4.083 22663590 59.204 1.650 4.077 25665570 59.231 1.672 3.853 14409284 59.232 3.087 4.012 6630202 59.237 9.578 4.325 4829330 59.275 0.747 4.440 3347251 59.292 2.266 4.014 28225552 59.295 9.306 4.445 7659657 59.299 7.314 4.121 3657193 59.328 7.839 4.443 4177884 59.339 8.208 4.013 26440742 59.346 1.673 4.437 4659114 59.356 6.911 4.444 6114849 59.363 1.532 3.851 15826457 59.365 3.196 4.441 29956412 59.365 2.166 4.441 21371548 59.367 3.018 4.440 30105108 59.392 7.191 4.007 4387267 59.394 8.323 4.441 7728670 59.480 7.957 3.949 3364518 59.509 1.591 3.957 7774512 59.517 8.508 3.952 5600064 59.564 6.758 4.025 16869738 59.604 3.021 3.946 14308506 59.611 1.832 3.949 20670772 59.623 7.288 3.941 12242090 59.628 1.948 3.949 22449896 59.634 2.594 3.949 17843904 59.812 1.328 4.067 17741074 59.814 7.238 4.065 16295742 59.826 0.752 4.067 55537980 59.830 9.124 4.067 53091956 59.972 7.781 3.838 8704843 59.973 8.167 3.837 6687558 60.003 7.333 4.500 5708265 60.007 8.735 3.835 13662961 60.024 1.018 3.836 22472564 60.024 2.114 3.835 44938072 60.030 2.183 3.836 67164968 60.031 0.830 3.836 25204878 60.054 3.120 4.502 24030990 60.060 8.614 4.503 5684378 60.070 2.807 4.491 3375561 60.098 6.837 4.503 19751664 60.124 7.552 3.732 6096074 60.164 1.924 3.733 26507608 60.169 6.738 3.736 6757414 60.173 0.945 3.733 24615168 60.188 1.363 3.732 23760946 60.189 1.144 3.733 25912998 60.199 8.442 3.733 19964982 60.208 1.712 3.733 20058606 60.269 2.499 4.662 8850988 60.278 7.054 4.309 24828060 60.290 3.600 4.311 12170626 60.332 6.969 4.659 12253381 60.333 3.149 4.312 26458870 60.335 7.770 4.503 21175010 60.342 3.572 4.661 7307061 60.361 8.140 4.661 5583588 60.374 7.314 4.310 11676378 60.377 0.937 4.504 4043861 60.379 7.329 4.662 4534996 60.424 3.106 4.665 6649528 60.527 1.655 4.315 23999332 60.541 8.938 4.316 5512493 60.662 7.740 4.218 4991926 60.727 0.968 4.216 11879502 60.743 1.108 4.314 18684216 60.764 1.900 4.215 16446761 60.770 8.422 4.214 10241468 60.771 3.934 4.215 65592028 60.810 1.754 4.218 9321524 60.927 2.811 4.313 24149992 60.952 6.934 4.312 25270490 60.958 3.352 4.311 13501776 61.026 7.645 4.308 8637488 61.039 3.901 4.311 7928616 61.039 1.290 4.312 17048216 61.039 1.646 4.321 13005895 61.041 8.582 4.313 13185943 61.049 0.769 4.309 48003608 61.085 1.990 4.306 35360264 61.099 8.207 4.305 42396920 61.127 1.589 4.571 4337028 61.130 7.377 4.312 12486984 61.161 0.552 4.306 14758985 61.185 8.523 4.572 9252768 61.187 7.941 4.571 16673438 61.190 7.158 4.570 20372184 61.197 2.860 4.573 16979686 61.202 3.412 4.571 25285138 61.210 2.688 4.570 9077942 61.236 3.237 4.570 15802981 61.294 6.878 4.569 4204438 61.305 9.574 4.573 6075018 61.429 8.309 4.381 14921531 61.435 1.548 4.379 34724464 61.437 7.328 4.380 25121616 61.475 4.016 4.379 72885840 61.517 1.710 4.386 5335702 61.586 7.641 4.224 23968322 61.602 0.876 4.224 49710956 61.644 2.633 4.383 5068551 61.751 0.952 4.381 58188236 61.765 8.080 4.383 13964798 61.861 1.289 4.449 46980464 61.897 2.211 4.447 4993450 61.901 6.911 4.454 7415240 61.904 8.019 4.446 12622136 61.922 3.049 4.448 10451040 61.961 1.306 4.280 70010776 61.972 6.682 3.051 9179528 61.980 3.051 3.048 161134528 61.984 8.863 4.280 10731057 61.987 6.870 3.047 4597544 61.994 2.200 3.048 7432824 61.998 2.658 3.050 20602886 62.003 1.910 3.056 6783766 62.008 3.286 3.044 18821686 62.016 8.341 3.045 6358190 62.017 2.316 3.048 10450484 62.043 8.902 3.050 9998308 62.052 7.312 3.049 7937675 62.322 6.999 4.171 20584186 62.322 2.915 4.171 23019802 62.335 8.435 3.933 10985503 62.355 0.752 4.168 7934416 62.356 1.566 4.176 18917508 62.356 2.061 4.125 48620080 62.357 5.658 3.930 6164404 62.358 1.155 4.170 9736694 62.367 0.905 4.124 102211936 62.368 8.240 4.122 24771664 62.369 7.264 4.174 9506136 62.370 4.205 3.932 61152288 62.371 5.464 4.122 11555852 62.374 2.833 3.788 3303015 62.404 3.039 3.784 12640251 62.416 0.291 3.785 23327706 62.428 0.520 3.783 12425866 62.436 9.112 3.785 36019064 62.442 6.911 3.786 12164673 62.453 1.613 3.784 16864006 62.456 7.746 3.930 4147962 62.461 0.945 3.933 7010860 62.478 8.473 4.116 71248040 62.541 4.484 3.784 5605040 62.571 3.716 4.200 11720646 62.571 1.923 4.202 5551090 62.571 1.754 4.210 4371405 62.571 2.196 4.204 6034144 62.695 7.966 4.198 9196277 62.947 2.264 4.384 76736008 62.960 8.472 4.384 79155296 62.995 1.831 4.384 34712436 63.014 3.684 4.381 13065521 63.020 8.083 3.838 9243243 63.041 1.989 4.062 19117276 63.047 8.080 4.047 10279121 63.047 0.935 4.063 12073644 63.052 0.791 4.064 18720998 63.054 8.277 4.005 22430624 63.063 1.524 4.007 17607942 63.071 7.327 4.005 57354660 63.072 4.379 4.007 65501964 63.073 7.820 4.064 12491174 63.081 0.556 4.066 16559100 63.200 7.180 3.840 6414426 63.410 7.955 3.722 10456930 63.522 8.429 3.712 12254063 63.582 0.993 4.375 35246896 63.593 6.864 3.925 4067354 63.607 8.175 4.377 13542923 63.627 7.964 3.868 8255760 63.634 7.734 3.699 6881552 63.648 6.988 3.123 6288086 63.653 6.878 3.119 5590158 63.660 1.008 3.702 25129160 63.673 6.324 3.122 7647842 63.677 3.124 3.928 45748688 63.694 3.930 3.124 62361584 63.697 8.925 3.698 6426836 63.709 7.674 4.374 3511908 63.748 0.908 3.838 12446573 63.749 1.700 3.695 16913904 63.755 1.084 4.208 31784650 63.776 0.762 3.697 13810046 63.777 8.419 3.836 18638782 63.782 1.687 4.209 39071276 63.817 6.325 3.926 4215146 63.823 2.763 4.219 4047810 63.834 1.391 4.208 8638098 63.840 8.219 3.836 14280483 63.861 6.348 4.205 6221762 63.864 3.098 4.210 3607850 63.885 0.184 4.213 4150322 63.902 3.699 4.203 6066120 64.437 2.634 4.058 3688108 64.470 8.662 4.282 5206350 64.486 7.142 4.054 11332660 64.499 7.780 4.292 3705502 64.502 8.352 4.052 12224702 64.511 0.668 4.051 41721588 64.511 4.119 4.281 93518976 64.513 4.288 4.117 94279704 64.515 1.318 4.052 13271808 64.523 8.836 4.119 22299962 64.524 8.837 4.283 21144612 64.526 1.507 4.049 14449942 64.530 7.031 4.051 12889985 64.530 0.957 4.052 5589631 64.535 1.738 4.048 27503622 64.538 1.060 4.055 7410594 64.543 0.368 4.048 13780199 64.564 8.097 4.059 4459118 64.928 1.686 3.994 26571638 64.939 9.446 3.998 4013220 64.941 0.991 3.995 11487182 64.950 0.434 3.994 20943290 64.958 1.380 3.993 9570587 64.982 6.914 3.996 3523943 65.107 0.294 2.887 12088961 65.115 9.585 3.997 4771214 65.126 3.415 2.890 7716708 65.137 6.892 2.892 10756809 65.147 3.239 2.889 13683860 65.154 1.556 2.890 8209168 65.159 7.181 2.891 5483938 65.164 7.943 2.892 5831566 65.215 0.100 2.891 19930374 65.224 0.813 2.891 10429162 65.249 0.608 2.890 9012506 65.256 2.146 3.834 29444478 65.285 0.960 3.835 61969996 65.304 8.319 3.834 17111354 65.325 4.331 3.837 9152533 65.362 4.183 3.836 8752142 65.750 0.893 3.811 37435196 65.927 1.029 3.810 37594720 65.972 2.804 3.806 7927330 65.987 7.738 3.807 12881020 66.024 1.717 3.809 9352718 66.033 3.006 3.804 13942061 66.339 4.367 3.610 5649854 66.376 1.773 3.608 10852588 66.577 7.829 3.641 9438521 66.645 8.332 3.613 15668127 66.646 0.927 3.647 115997288 66.750 6.553 3.614 16326804 66.789 6.744 3.605 16535947 66.803 1.948 3.601 19277002 66.834 0.928 2.902 7278130 66.834 2.045 3.661 16376286 66.862 1.078 2.900 12721387 66.863 1.329 2.900 18973488 66.868 0.657 2.901 31389828 66.874 1.920 2.904 7401987 66.881 0.530 2.898 29703618 66.884 0.373 2.898 13709055 66.916 8.243 2.895 11854568 66.937 9.132 3.669 10350575 67.021 1.737 2.906 4447620 67.409 8.747 3.185 4526197 67.438 1.155 3.184 7191542 67.454 0.358 3.183 8210234 67.454 7.329 3.176 4003743 67.462 0.792 3.183 30064218 67.463 0.950 3.184 45065184 67.466 -0.071 3.183 21883018 67.480 8.602 3.185 12121817 67.487 1.762 3.185 17428754 67.510 2.130 3.182 9046407 67.521 8.417 4.673 10907648 67.522 8.286 3.186 6914444 67.535 8.965 4.670 4262125 67.579 1.215 4.674 19535710 67.744 3.562 4.680 4615978 68.200 4.664 3.526 5525971 68.262 0.595 3.529 10630579 68.266 8.426 3.536 8738236 68.267 1.217 3.532 25078742 68.290 0.995 3.536 10214523 68.318 1.542 3.527 6195907 68.819 3.736 4.156 5352094 68.856 1.719 4.152 6020300 68.918 0.871 4.156 50953240 68.968 7.633 4.159 7594277 70.160 1.291 4.489 45911688 71.574 3.509 4.550 7695742 71.599 1.344 4.549 21006664 71.620 4.281 4.544 14029416 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 14963.631 . . . 16298 2 2 H 1 H 2 10000 . . . 16298 2 3 H 1 HC 1 15243.902 . . . 16298 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16298 2 stop_ save_ save_Cnoesy_arom.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom.list _Spectral_peak_list.Entry_ID 16298 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 19 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (arom)' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 114.987 6.375 6.842 8509995 115.073 9.955 6.845 5889497 117.587 4.035 6.593 4124525 117.608 0.664 6.601 11111925 117.620 1.738 6.600 5658236 117.641 1.311 6.600 6345924 117.674 7.025 6.597 55801068 117.681 1.518 6.599 3751977 117.714 -0.083 6.606 3587603 117.847 0.360 6.603 5958045 117.887 0.959 6.595 3694586 118.106 2.191 6.551 4774765 118.137 0.534 6.552 6273035 118.213 1.841 6.555 7548926 118.217 3.631 6.553 8504314 118.277 6.750 6.553 59728384 118.279 0.906 6.554 7632866 118.336 0.778 6.555 5506566 118.377 2.802 6.856 8352556 118.393 7.150 6.858 42377584 118.436 0.870 6.857 26431946 118.441 3.009 6.858 6563270 118.465 4.017 6.553 3809166 118.469 6.929 6.791 80079048 118.518 4.306 6.792 9745286 118.535 4.522 6.786 11531488 118.581 1.292 6.789 4395646 118.615 4.503 6.278 3891234 118.616 3.102 6.861 7729486 118.648 -0.081 6.282 10244047 118.675 6.832 6.284 79724440 118.725 6.968 6.858 55869704 118.778 1.207 6.861 13973073 118.807 3.921 6.860 10075445 120.838 6.647 6.648 23098508 122.330 6.839 6.372 5209427 122.391 6.651 6.373 4145258 126.212 9.958 6.674 12394937 126.228 3.223 6.680 6582392 126.306 3.407 6.674 9107055 126.322 7.162 6.679 5393450 126.351 3.044 6.676 4719502 126.376 7.286 6.669 4708286 128.171 6.393 6.833 4240892 128.258 6.710 6.832 19798746 128.304 4.648 6.838 5660137 128.620 0.593 6.726 5750307 128.680 1.205 6.732 8247804 128.682 6.728 6.727 57543120 128.688 6.551 6.725 23019586 128.732 1.404 6.727 8342473 128.798 6.606 6.318 18627952 128.810 7.101 6.990 13112217 128.832 0.278 6.319 9832762 128.839 6.320 6.318 79084744 128.891 6.993 6.991 36020776 128.908 0.937 6.994 7186464 128.998 6.988 6.308 3805258 129.041 1.414 6.998 4973414 129.075 0.418 6.317 3608856 129.858 6.386 6.708 14479038 129.892 6.815 6.709 16449691 130.304 0.680 7.109 6733642 130.329 1.396 6.542 5020964 130.501 1.691 6.548 3735225 130.506 0.933 7.099 6247859 130.506 3.347 7.102 4580857 130.517 1.212 7.099 6168340 130.541 1.398 7.108 4328636 130.601 6.736 6.547 23783876 130.939 6.991 6.607 31740652 131.210 6.324 6.615 6148304 131.272 4.569 6.384 11846629 131.340 1.853 6.382 5555750 131.340 1.781 6.382 6628502 131.350 2.731 6.379 6658120 131.374 0.428 6.383 4248119 131.446 6.704 6.381 16053800 131.582 3.090 6.978 7843960 131.639 4.654 6.972 8150728 131.706 3.603 6.744 7156921 131.707 0.948 6.731 5090022 131.729 2.893 6.745 6793574 131.731 0.732 6.970 10307425 131.736 1.316 6.975 8904723 131.744 0.425 6.740 6743438 131.767 6.861 6.973 63055472 131.778 3.926 6.974 9946472 131.836 2.501 6.968 5533342 131.839 0.733 6.740 7872064 131.880 3.694 6.742 7537288 131.898 1.717 6.742 5741806 131.975 6.550 6.744 19043098 132.002 3.156 6.747 4880396 132.084 4.300 7.054 7588542 132.092 3.583 7.050 6727540 132.118 0.665 7.048 8589287 132.130 0.519 7.052 6565671 132.143 3.158 7.046 8102564 132.627 3.392 6.831 10514585 132.633 4.495 6.833 15984834 132.649 -0.081 6.835 8804226 132.652 6.596 6.831 9787728 132.653 6.287 6.833 92449184 132.664 3.002 6.832 11741556 132.692 0.941 6.834 8703558 132.752 2.604 6.831 5560299 132.762 3.103 6.833 9531861 132.873 2.294 6.753 10356801 132.897 3.633 6.749 5120968 132.938 0.809 6.747 7651291 132.975 0.911 6.751 10780604 132.982 6.558 6.756 47055696 132.983 4.016 6.754 14186834 133.076 1.883 6.753 10879751 133.085 3.412 7.157 7252874 133.092 2.789 6.934 8877305 133.115 3.231 7.152 8769927 133.118 6.856 7.153 25113478 133.123 6.793 6.934 59786304 133.123 2.081 6.936 6037198 133.161 0.869 7.154 15855145 133.193 4.514 6.929 3952759 133.201 1.733 7.024 8003408 133.208 4.307 6.933 13494025 133.213 1.128 6.932 5176440 133.214 3.341 6.927 7196762 133.221 1.271 6.933 4922880 133.246 6.684 7.151 6149606 133.305 1.502 7.018 5370932 133.341 4.558 7.150 6882990 133.349 0.953 7.012 5736892 133.370 0.665 7.026 7513078 133.395 5.030 7.028 10743485 133.401 4.048 7.025 5800615 133.406 2.615 7.025 10195748 133.419 6.599 7.027 30400872 133.428 1.302 7.026 4193560 133.483 3.385 7.021 7083850 138.654 1.498 7.812 6758399 138.674 1.673 7.812 11787007 138.685 3.033 7.812 6070028 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Carom 1 6413.526 . . . 16298 3 2 H 1 H 2 10000 . . . 16298 3 3 H 1 HC 1 15243.902 . . . 16298 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16298 3 stop_ save_ save_4D_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list _Spectral_peak_list.Entry_ID 16298 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 17 _Spectral_peak_list.Experiment_name '4D CC NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.940 18.333 1.548 0.934 -172475 13.940 19.439 0.513 -0.095 -76285 13.940 24.861 1.403 -0.100 34353 13.940 27.421 1.002 -0.099 38927 13.940 14.894 6.278 -0.092 -43190 13.940 23.476 0.512 -0.099 -41150 13.940 19.439 0.507 1.125 -64342 13.940 23.427 0.517 1.120 -54377 13.940 20.767 0.901 -0.067 -71176 13.940 20.767 0.901 -0.067 -71176 13.940 32.008 4.510 1.130 -52416 13.940 32.008 4.510 1.130 -52416 13.940 33.117 1.729 1.098 -144231 13.940 28.942 1.645 1.113 215940 13.940 21.896 1.268 1.142 -184769 13.940 24.967 0.860 1.079 152477 13.940 24.967 0.860 1.079 152477 13.940 28.942 1.645 1.113 215940 13.940 33.117 1.729 1.098 -144231 13.940 33.117 1.729 1.098 -144231 13.940 32.903 2.037 0.897 -42152 13.940 32.413 2.040 0.889 -49097 13.940 21.631 1.547 0.936 51128 13.940 21.631 1.547 0.936 51128 13.940 20.689 0.923 0.937 -537677 13.940 25.425 3.578 0.914 30991 13.940 20.779 0.894 0.596 256042 13.940 28.979 1.649 0.393 -59100 13.940 20.773 0.882 0.366 270564 13.940 29.025 1.652 1.014 -424197 13.940 18.676 3.730 0.914 34725 13.940 18.439 1.118 0.912 126541 13.940 16.927 3.937 0.913 83407 13.940 16.990 1.952 0.914 -67682 13.940 30.391 1.937 0.912 60507 13.940 17.782 0.946 0.916 336248 13.940 25.415 2.885 0.355 38835 13.940 23.032 4.039 0.355 37557 13.940 16.633 1.719 0.355 -49087 13.940 13.959 0.352 0.355 2416193 13.940 25.712 1.306 0.353 48345 13.940 25.787 1.062 0.354 66017 13.940 18.713 0.655 0.358 157596 13.940 26.052 3.194 0.352 25544 13.940 13.847 -0.095 0.358 93476 13.940 17.715 0.931 0.370 83696 13.940 18.800 1.486 -0.090 28446 13.940 13.941 0.356 -0.097 82851 13.940 18.704 0.663 -0.094 37832 13.940 29.954 0.017 -0.096 -26574 13.940 29.093 -0.152 -0.093 -32183 13.940 26.062 3.172 -0.089 54860 13.940 25.336 0.954 -0.092 29667 13.940 17.646 1.753 -0.090 -42331 13.940 27.381 1.148 -0.092 50703 13.940 17.697 0.936 -0.093 129447 13.940 18.588 1.555 1.129 110524 13.940 20.593 2.205 1.127 -44744 13.940 24.392 1.281 1.135 78485 13.940 18.891 1.882 0.413 -15522 13.940 29.530 -0.085 1.141 -19209 14.385 28.754 0.263 0.589 35204 14.438 26.862 3.518 0.594 41583 14.447 18.500 1.111 0.595 95117 14.460 23.294 3.985 0.416 59445 14.467 15.950 1.539 0.597 -34555 14.467 17.103 0.084 0.593 101161 14.472 18.794 2.763 0.427 -17123 14.475 16.900 1.644 0.420 -47972 14.478 28.723 0.774 0.595 43773 14.481 16.145 4.528 0.405 13425 14.493 27.771 0.486 0.414 40469 14.498 15.529 1.036 0.592 51071 14.524 17.003 0.244 0.569 36433 14.534 19.145 3.032 6.844 15534 14.536 16.919 0.258 0.419 103616 14.552 27.747 1.545 0.415 52901 14.558 14.069 3.753 0.596 33330 14.587 25.186 3.628 6.546 -53214 14.596 18.165 2.160 6.550 -24264 14.598 18.124 2.153 0.595 -26785 14.598 18.954 0.976 0.595 63364 14.610 19.427 2.796 6.852 23280 14.612 29.444 -0.249 6.550 202419 14.629 19.590 0.519 6.556 -34483 14.668 21.114 0.778 6.552 -26539 14.676 16.331 1.707 6.772 -23312 14.750 14.756 -0.219 6.776 3035586 14.757 21.545 1.283 6.782 -28496 14.758 21.667 0.860 6.845 -65764 14.790 14.901 4.296 6.773 -28846 14.798 29.631 -0.068 6.776 336393 14.834 14.684 4.506 6.874 -46844 14.977 32.078 2.041 1.704 -20697 14.982 29.116 -0.173 6.277 423721 15.005 32.557 0.719 6.862 32097 15.019 17.575 4.344 1.689 -13906 15.037 14.902 6.284 6.857 48747 15.042 14.564 0.416 0.733 40274 15.072 15.620 3.915 6.862 -44069 15.097 17.457 2.837 1.675 12252 15.102 23.003 1.180 6.863 -74124 15.103 28.264 -0.008 6.863 339245 15.103 31.724 1.926 1.701 -19021 15.185 22.308 3.667 0.733 26824 15.195 30.651 1.710 0.735 51671 15.213 30.383 1.345 0.732 40860 15.236 16.927 0.976 0.735 116581 15.246 15.243 0.732 0.735 2605308 15.260 22.865 1.018 0.733 71428 15.262 17.107 0.082 0.736 59141 15.276 18.598 1.544 0.737 90377 15.283 28.079 -0.267 0.740 -27379 15.323 14.372 0.581 1.030 57266 15.374 22.214 4.376 1.025 21327 15.377 24.686 0.796 1.031 59667 15.398 26.214 1.491 1.027 63939 15.405 18.198 2.148 1.038 -54753 15.424 18.704 0.985 1.032 122481 15.436 15.471 1.026 1.029 1906863 15.446 26.171 1.801 1.032 51334 15.508 13.829 0.341 0.348 -43480 15.516 16.561 -0.069 0.432 -11196 15.517 18.532 3.815 1.034 39480 15.517 29.063 1.659 1.034 -66344 15.517 25.422 0.819 1.034 39646 15.651 18.228 1.125 0.093 -14425 15.661 14.653 4.503 6.856 -55467 15.885 30.654 2.945 6.855 -107688 16.067 15.470 2.173 1.688 -97992 16.255 17.894 0.755 0.754 -194279 16.407 32.065 4.504 1.694 -17453 16.453 14.782 -0.204 1.695 -21894 16.453 17.604 2.915 1.694 -34794 16.510 17.543 4.328 1.694 65219 16.513 32.058 2.034 1.692 103994 16.531 29.628 -0.093 1.692 -36470 16.760 14.013 0.349 1.718 -45850 16.792 15.331 0.759 0.720 -40356 16.867 30.443 1.362 0.975 50961 16.897 27.855 1.559 0.270 28774 16.897 32.275 -0.210 2.187 -10928 16.928 16.894 1.644 0.269 -95837 16.958 25.306 6.304 0.264 -50815 16.962 14.408 0.420 0.265 102117 16.989 15.237 0.731 0.975 124883 16.991 22.844 1.013 0.977 87465 16.998 21.110 3.017 0.267 -54765 17.006 20.823 3.769 0.268 90851 17.030 23.384 3.989 0.982 31782 17.044 18.635 1.665 0.974 -66547 17.055 28.672 0.254 0.091 23295 17.074 23.717 2.876 0.088 53409 17.076 21.057 2.807 0.264 -36833 17.078 17.146 0.135 1.706 -12364 17.128 18.509 1.127 0.092 51697 17.135 14.444 0.596 0.092 109030 17.157 21.889 0.859 0.089 117979 17.170 13.975 3.759 0.090 40968 17.170 15.975 1.531 0.089 -77758 17.273 31.117 1.690 0.083 19947 17.698 21.379 2.939 0.953 -64301 17.703 13.843 -0.093 0.940 159738 17.705 17.664 0.946 0.950 5611012 17.706 13.962 0.353 0.937 147981 17.714 25.181 3.594 0.950 116171 17.714 18.642 3.727 0.958 39646 17.723 30.279 1.938 0.954 27868 17.733 17.647 1.761 0.938 -81680 17.733 18.645 0.666 0.938 57344 17.734 17.060 1.948 0.954 -119090 17.745 17.376 3.964 0.953 49306 17.756 28.236 -0.004 0.759 -25465 17.765 25.475 -0.007 0.947 -31300 17.767 32.468 0.699 0.758 -201116 17.770 32.700 1.724 0.952 32453 17.770 32.823 1.915 0.952 27550 17.774 27.192 1.301 0.758 121578 17.778 16.505 4.396 0.954 44840 17.790 23.441 0.512 0.758 99598 17.807 18.200 4.048 0.758 136267 17.843 17.088 1.874 0.758 -210004 17.873 17.057 3.689 0.758 28796 17.886 18.135 0.916 2.168 -22624 17.905 21.352 2.931 0.761 -29256 17.936 14.556 -0.474 2.175 -38419 17.965 18.138 2.179 1.007 59877 18.112 18.561 0.987 2.171 -38106 18.153 33.504 2.575 2.176 42369 18.189 21.045 4.192 2.178 33921 18.194 33.529 2.988 2.177 47660 18.228 18.174 2.175 1.565 131680 18.232 31.736 1.767 2.180 31247 18.260 13.617 4.219 1.559 313801 18.266 19.190 4.486 1.558 83393 18.311 18.676 1.498 2.179 82936 18.312 32.173 -0.187 2.176 36312 18.359 18.134 2.159 0.966 -145906 18.387 17.087 0.086 1.124 41808 18.428 14.212 4.071 1.531 300882 18.458 18.657 3.715 1.123 56861 18.461 14.426 0.583 1.122 92904 18.467 13.782 0.907 1.126 97349 18.482 14.027 3.749 1.125 112420 18.529 17.209 0.094 1.553 31212 18.535 22.069 0.866 1.560 81099 18.562 13.931 1.122 1.556 81935 18.564 33.717 3.729 1.557 -134452 18.570 20.830 4.169 1.552 58588 18.602 25.280 0.943 0.656 57048 18.607 26.200 0.879 1.554 40110 18.625 16.605 1.722 0.655 -106725 18.625 15.194 0.737 1.553 91616 18.637 23.048 4.036 0.655 127422 18.665 14.164 -0.416 0.656 -52518 18.670 13.962 0.349 0.654 174324 18.670 18.704 0.655 0.655 2839968 18.675 22.137 3.868 1.487 33306 18.679 19.830 0.840 1.553 54053 18.703 13.848 -0.097 0.656 57448 18.769 17.529 4.172 1.486 74299 18.802 22.101 4.363 0.976 93511 18.802 29.922 0.019 0.654 -37559 18.814 33.683 3.391 1.397 -84672 18.819 15.514 1.030 0.978 119280 18.822 14.412 0.575 0.978 75459 18.829 22.950 1.189 1.395 76978 18.831 13.617 4.267 1.485 159816 18.838 18.775 0.987 1.487 60199 18.852 24.728 3.593 1.485 110842 18.852 22.081 3.694 0.981 34521 18.882 18.878 1.478 0.973 100623 18.909 26.791 3.510 0.977 25226 18.919 17.610 3.837 1.306 66892 18.954 23.096 0.887 1.304 175268 18.958 32.449 3.793 1.303 -255292 18.966 21.362 0.910 1.304 138061 18.974 32.136 4.316 1.452 -295692 18.996 16.147 4.378 1.452 41288 19.051 33.649 3.342 1.320 -37979 19.188 14.635 -0.474 2.196 14159 19.385 19.580 4.302 0.513 32388 19.443 21.427 4.050 0.515 54837 19.450 19.454 0.510 1.005 79667 19.465 21.196 0.756 0.511 175212 19.469 32.470 3.786 0.513 -40292 19.469 23.089 0.888 0.512 105481 19.618 19.480 0.531 0.844 48840 19.792 20.547 2.203 0.838 -100163 19.794 17.159 4.769 0.841 152724 19.805 33.586 2.686 0.842 31760 19.812 13.907 1.128 0.841 160668 19.824 33.655 2.561 0.840 21045 19.843 16.843 4.224 0.839 95085 19.857 27.152 2.217 0.834 34618 19.896 18.524 1.557 0.842 67829 19.914 24.332 1.266 0.846 27122 19.921 30.357 1.346 0.838 26451 20.804 21.073 2.382 0.960 35713 20.872 15.033 -0.126 0.964 -26107 20.881 23.736 3.806 0.936 117045 20.885 32.807 2.039 0.885 707069 20.890 31.987 2.105 0.941 294870 20.898 20.734 4.110 0.889 416487 20.909 21.243 2.957 0.891 -62712 20.918 23.434 0.507 0.958 55351 20.936 27.151 1.726 0.935 73123 20.942 23.893 0.886 0.956 401133 20.949 25.350 3.659 0.959 135442 20.959 22.442 3.193 0.932 -49067 20.976 14.268 4.075 0.959 35829 21.056 18.420 1.530 0.961 26013 21.078 31.488 4.559 0.641 -43330 21.100 26.029 3.168 0.775 88750 21.103 17.864 0.768 0.638 74844 21.113 25.432 2.890 0.641 68881 21.128 21.199 2.966 0.767 -64747 21.136 23.408 0.508 0.638 304755 21.137 21.346 2.986 0.963 -53310 21.138 31.100 1.912 0.638 138204 21.138 23.953 0.879 0.639 102481 21.144 19.449 0.514 0.759 280931 21.145 31.407 2.125 0.774 125674 21.149 21.469 4.043 0.762 70322 21.161 32.588 0.706 0.639 -31180 21.171 29.867 3.631 0.637 -41945 21.185 19.570 4.294 0.760 152264 21.233 27.398 4.120 0.859 244330 21.250 32.394 3.770 0.911 -37247 21.322 25.195 3.620 0.915 133412 21.349 19.820 0.939 0.841 -51142 21.367 21.145 2.955 1.270 -98320 21.372 18.904 1.301 0.914 103728 21.500 27.464 4.697 1.290 166529 21.500 31.773 2.255 0.910 172281 21.500 28.756 4.481 1.290 96111 21.712 19.416 3.395 1.306 47656 21.736 21.778 1.276 0.777 -210109 21.751 20.348 4.277 1.299 166711 21.872 27.489 4.685 1.264 337050 22.070 32.374 1.885 1.263 48043 22.088 20.312 4.431 1.266 177685 22.128 26.422 1.703 0.787 88293 22.143 22.659 1.705 0.783 -34701 22.150 15.148 4.176 0.788 187910 22.204 18.566 1.543 0.791 29719 22.683 22.664 -0.324 6.669 190006 22.858 24.468 3.788 1.017 100261 22.888 15.241 0.732 1.022 76409 22.908 31.181 1.707 1.017 99711 22.934 16.931 0.969 1.015 81304 22.948 27.057 0.073 1.181 -26954 22.991 15.090 -0.140 1.185 -80211 23.000 15.054 -0.149 1.210 -33607 23.000 26.879 0.109 1.210 -14411 23.045 23.736 3.807 0.890 83887 23.060 31.633 2.240 0.888 150858 23.062 18.921 1.300 0.890 161122 23.065 19.480 0.517 0.891 137964 23.066 32.467 3.791 0.890 -144463 23.087 29.382 -0.259 0.885 -40648 23.246 13.617 4.245 0.796 164046 23.303 26.960 1.541 0.789 124808 23.310 21.612 1.482 0.795 -96274 23.389 28.482 0.030 0.511 -42812 23.439 24.027 0.890 0.511 123304 23.461 32.487 0.709 0.514 -50262 23.469 31.078 1.912 0.512 127323 23.473 25.421 2.889 0.510 90932 23.475 20.835 0.950 0.510 61397 23.476 21.181 0.639 0.511 273620 23.478 17.759 0.757 0.513 90606 23.482 17.110 3.682 0.508 43192 23.484 25.281 3.645 0.883 175938 23.524 15.158 -0.139 0.509 -39124 23.951 16.289 2.161 0.794 -13804 24.000 23.350 0.522 0.900 79459 24.000 13.939 0.346 0.900 49545 24.362 16.251 2.278 0.804 -24916 24.543 15.965 2.957 0.803 73139 24.623 26.435 -0.299 6.831 35253 24.690 24.668 -0.160 6.832 76901 24.783 26.786 1.650 0.800 102308 24.864 24.851 1.332 0.867 104005 24.906 21.880 3.258 0.925 -11258 24.927 15.495 1.031 0.807 60624 24.948 26.928 1.548 0.852 164128 24.955 21.616 1.513 0.859 -154240 25.013 13.813 4.241 0.861 44485 25.032 18.520 3.814 0.806 42639 25.040 21.068 1.652 0.808 -120142 25.067 14.378 5.049 0.926 18017 25.159 27.070 0.090 6.980 28729 25.179 25.164 -0.268 6.724 91263 25.194 27.579 -0.441 6.299 42916 25.203 25.983 3.169 0.940 86055 25.204 21.151 0.773 0.938 236447 25.223 21.892 2.611 0.943 -35431 25.225 31.392 2.130 0.938 109882 25.229 13.936 0.351 0.935 50638 25.256 18.912 1.393 6.722 -39188 25.278 18.748 0.639 0.940 41104 25.278 20.210 4.371 0.938 126726 25.317 25.288 6.301 6.300 162373 25.321 30.008 2.173 0.807 52302 25.338 29.862 0.013 0.941 -37651 25.341 13.617 -0.101 0.939 40039 25.366 24.008 2.559 0.793 -11332 25.384 16.899 0.266 6.296 -27341 25.391 16.017 2.197 0.801 -52091 25.401 21.925 3.373 0.938 -25186 25.429 22.959 1.196 6.721 -25670 25.484 25.456 -0.001 6.991 70517 25.489 17.780 0.933 6.984 -25970 25.546 14.402 5.040 0.947 21031 25.564 18.750 1.418 7.003 -18305 26.056 22.594 1.361 0.874 -45236 26.125 22.101 0.796 0.874 247849 26.125 26.370 1.693 0.870 61355 26.147 18.689 1.562 0.872 62101 26.167 33.699 3.721 0.874 -55721 26.209 22.522 1.669 0.873 -44959 26.446 18.804 1.406 6.694 -25405 26.446 24.624 -0.158 6.707 27845 26.446 27.898 6.377 6.694 58291 26.451 26.460 -0.291 6.704 206580 26.767 18.683 0.648 7.108 -23492 26.979 27.005 0.105 7.100 211724 26.980 25.309 -0.018 7.109 28943 27.026 28.466 0.063 7.104 89112 27.039 25.153 -0.269 6.538 38631 27.065 17.670 0.943 7.097 -37703 27.217 18.772 1.420 7.113 -13246 27.401 28.144 -0.274 6.529 36932 27.434 27.278 -0.435 6.561 140274 27.674 25.292 6.304 6.575 47555 27.760 16.283 4.559 6.362 -54768 27.811 27.807 6.365 6.363 189632 27.830 26.497 -0.299 6.364 47840 28.187 32.497 0.719 6.993 48814 28.227 15.239 0.743 6.741 -29456 28.234 22.346 3.688 6.741 -22756 28.239 15.076 -0.136 6.984 293075 28.247 17.751 0.762 6.994 -35945 28.256 18.690 4.689 6.978 -40367 28.264 28.308 -0.264 6.736 172040 28.289 15.021 -0.134 6.958 149961 28.289 32.553 0.715 6.971 35798 28.308 14.552 0.416 6.744 -30164 28.320 15.646 3.932 6.980 -44952 28.544 27.029 0.094 7.055 88752 28.547 18.759 4.301 7.045 -34387 28.598 23.473 0.513 7.045 -31588 28.644 14.967 -0.130 7.053 66935 28.644 28.534 0.040 7.053 372756 28.903 17.344 3.978 2.119 55199 28.950 33.200 1.705 1.652 527645 29.094 14.947 6.280 6.823 357076 29.126 29.120 -0.175 6.820 1409016 29.130 18.510 4.494 6.823 -67617 29.188 17.708 3.018 6.823 28577 29.343 23.048 0.893 6.748 -31568 29.451 29.445 -0.246 6.746 786676 29.459 17.718 1.877 6.747 42540 29.462 18.116 3.996 6.747 -62514 29.468 14.588 -0.444 6.747 180280 29.479 21.373 0.926 6.732 -26141 29.498 16.386 1.670 6.912 -17732 29.528 21.933 0.852 7.150 -61151 29.529 19.681 4.546 7.154 -35336 29.533 17.670 2.269 6.753 30406 29.568 18.197 3.397 7.157 29215 29.584 14.778 -0.151 7.147 226613 29.593 18.311 3.241 7.141 26783 29.616 29.648 -0.071 6.924 1208632 29.617 14.837 -0.216 6.925 316358 29.641 29.657 0.145 7.140 581787 29.657 19.462 4.296 6.922 -35044 29.699 18.701 2.806 6.925 30301 29.726 18.712 3.353 6.928 30766 29.904 14.586 5.026 7.018 -71520 29.929 25.222 0.944 7.014 -46137 29.957 21.953 2.610 7.021 27831 29.962 14.142 -0.408 7.016 205802 29.971 18.674 0.656 7.018 -29591 31.413 20.739 0.885 0.706 31095 31.515 20.507 0.893 0.746 73666 32.455 28.249 -0.002 0.706 48833 32.455 17.050 3.098 0.706 15492 32.491 28.906 2.170 0.705 -29254 32.527 23.465 0.508 0.705 -67998 32.528 18.204 4.052 0.707 -170381 32.536 17.771 0.771 0.707 -202867 32.542 27.163 1.296 0.705 -182581 32.549 17.038 1.878 0.708 84378 32.550 17.084 3.693 0.708 -75535 32.555 18.924 4.346 0.707 -24939 32.565 14.962 -0.134 0.716 29777 32.573 21.244 2.931 1.904 -42460 32.613 21.128 2.929 0.706 46267 32.626 24.516 1.593 0.703 -37007 32.645 24.653 1.362 0.728 -61454 32.694 29.188 1.648 0.695 -66493 32.767 18.726 3.727 1.695 28568 32.800 28.871 1.630 1.710 236268 32.800 29.166 1.664 1.910 210797 32.811 20.482 0.896 0.746 166893 32.821 19.130 1.318 0.697 -35958 32.830 18.727 3.724 1.904 36636 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 3121.342 . . . 16298 4 2 C 13 C 2 3121.342 . . . 16298 4 3 H 1 HC 2 4197.272 . . . 16298 4 4 H 1 HC 1 8000 . . . 16298 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16298 4 stop_ save_