data_30178 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30178 _Entry.Title ; The Solution Structure of the Magnesium-bound Conantokin-R1B Mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-12 _Entry.Accession_date 2016-09-12 _Entry.Last_release_date 2016-12-09 _Entry.Original_release_date 2016-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Castellino F. J. . . 30178 2 Y. Yuan Y. . . . 30178 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TOXIN . 30178 'TRANSPORT PROTEIN INHIBITOR' . 30178 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30178 spectral_peak_list 1 30178 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 74 30178 '15N chemical shifts' 19 30178 '1H chemical shifts' 108 30178 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-12-12 2016-09-12 update BMRB 'update entry citation' 30178 1 . . 2017-06-23 2016-09-12 original author 'original release' 30178 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30179 'Magnesium-bound Conantokin-R1B Mutant' 30178 PDB 5TBQ 'BMRB Entry Tracking System' 30178 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30178 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.6b00962 _Citation.PubMed_ID 27981829 _Citation.Full_citation . _Citation.Title ; Discerning the Role of the Hydroxyproline Residue in the Structure of Conantokin Rl-B and Its Role in GluN2B Subunit-Selective Antagonistic Activity toward N-Methyl-d-Aspartate Receptors. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 55 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7112 _Citation.Page_last 7122 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yue Yuan Y. . . . 30178 1 2 Rashna Balsara R. D. . . 30178 1 3 Jaroslav Zajicek J. . . . 30178 1 4 Shailaja Kunda S. . . . 30178 1 5 Francis Castellino F. J. . . 30178 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30178 _Assembly.ID 1 _Assembly.Name Conantokin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30178 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30178 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEXXLAXKAXFARXLANYX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2289.258 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30178 1 2 . GLU . 30178 1 3 . CGU . 30178 1 4 . CGU . 30178 1 5 . LEU . 30178 1 6 . ALA . 30178 1 7 . CGU . 30178 1 8 . LYS . 30178 1 9 . ALA . 30178 1 10 . CGU . 30178 1 11 . PHE . 30178 1 12 . ALA . 30178 1 13 . ARG . 30178 1 14 . CGU . 30178 1 15 . LEU . 30178 1 16 . ALA . 30178 1 17 . ASN . 30178 1 18 . TYR . 30178 1 19 . NH2 . 30178 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30178 1 . GLU 2 2 30178 1 . CGU 3 3 30178 1 . CGU 4 4 30178 1 . LEU 5 5 30178 1 . ALA 6 6 30178 1 . CGU 7 7 30178 1 . LYS 8 8 30178 1 . ALA 9 9 30178 1 . CGU 10 10 30178 1 . PHE 11 11 30178 1 . ALA 12 12 30178 1 . ARG 13 13 30178 1 . CGU 14 14 30178 1 . LEU 15 15 30178 1 . ALA 16 16 30178 1 . ASN 17 17 30178 1 . TYR 18 18 30178 1 . NH2 19 19 30178 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 30178 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 745791 organism . 'Conus rolani' 'Conus rolani' . . Eukaryota Metazoa Conus rolani . . . . . . . . . . . . . 30178 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 30178 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30178 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CGU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CGU _Chem_comp.Entry_ID 30178 _Chem_comp.ID CGU _Chem_comp.Provenance PDB _Chem_comp.Name 'GAMMA-CARBOXY-GLUTAMIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code CGU _Chem_comp.PDB_code CGU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-01-10 _Chem_comp.Modified_date 2014-01-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code CGU _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID GLU _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H9 N O6' _Chem_comp.Formula_weight 191.139 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C(C(=O)O)C(=O)O)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 30178 CGU C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30178 CGU InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1 InChI InChI 1.03 30178 CGU N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 30178 CGU N[CH](CC(C(O)=O)C(O)=O)C(O)=O SMILES CACTVS 3.341 30178 CGU O=C(O)C(C(=O)O)CC(N)C(=O)O SMILES ACDLabs 10.04 30178 CGU UHBYWPGGCSDKFX-VKHMYHEASA-N InChIKey InChI 1.03 30178 CGU stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(3S)-3-aminopropane-1,1,3-tricarboxylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 30178 CGU '(3S)-3-aminopropane-1,1,3-tricarboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30178 CGU stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 84.153 . 39.598 . 35.110 . -0.340 1.828 1.451 1 . 30178 CGU CA CA CA CA . C . . S 0 . . . 1 no no . . . . 84.103 . 40.544 . 36.215 . -0.320 0.360 1.436 2 . 30178 CGU C C C C . C . . N 0 . . . 1 no no . . . . 85.312 . 41.493 . 36.033 . 0.145 -0.150 2.775 3 . 30178 CGU O O O O . O . . N 0 . . . 1 no no . . . . 85.129 . 42.700 . 35.847 . 0.913 0.506 3.437 4 . 30178 CGU OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 86.524 . 40.944 . 35.948 . -0.292 -1.334 3.231 5 . 30178 CGU CB CB CB CB . C . . N 0 . . . 1 no no . . . . 84.084 . 39.812 . 37.571 . 0.634 -0.125 0.344 6 . 30178 CGU CG CG CG CG . C . . N 0 . . . 1 no no . . . . 82.904 . 39.995 . 38.557 . 0.161 0.392 -1.015 7 . 30178 CGU CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 no no . . . . 82.437 . 38.657 . 39.146 . 1.102 -0.085 -2.090 8 . 30178 CGU CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 no no . . . . 81.785 . 40.785 . 37.909 . -1.226 -0.125 -1.294 9 . 30178 CGU OE11 OE11 OE11 OE1 . O . . N 0 . . . 0 no no . . . . 81.395 . 38.662 . 39.841 . 2.053 -0.771 -1.799 10 . 30178 CGU OE12 OE12 OE12 OE2 . O . . N 0 . . . 0 no no . . . . 83.104 . 37.615 . 38.942 . 0.883 0.249 -3.371 11 . 30178 CGU OE21 OE21 OE21 OE3 . O . . N 0 . . . 0 no no . . . . 80.951 . 40.183 . 37.202 . -1.779 -0.836 -0.489 12 . 30178 CGU OE22 OE22 OE22 OE4 . O . . N 0 . . . 0 no no . . . . 81.749 . 42.011 . 38.135 . -1.847 0.202 -2.438 13 . 30178 CGU H H H 1HN . H . . N 0 . . . 1 no no . . . . 83.356 . 38.972 . 35.229 . 0.603 2.129 1.641 14 . 30178 CGU HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 85.044 . 39.107 . 35.037 . -0.556 2.125 0.511 15 . 30178 CGU HA HA HA HA . H . . N 0 . . . 1 no no . . . . 83.162 . 41.143 . 36.211 . -1.324 -0.014 1.233 16 . 30178 CGU HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 87.266 . 41.526 . 35.836 . 0.006 -1.661 4.091 17 . 30178 CGU HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 84.208 . 38.720 . 37.378 . 1.637 0.249 0.546 18 . 30178 CGU HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 85.028 . 40.057 . 38.110 . 0.649 -1.215 0.332 19 . 30178 CGU HG HG HG HG . H . . N 0 . . . 1 no no . . . . 83.262 . 40.593 . 39.426 . 0.146 1.482 -1.003 20 . 30178 CGU HE12 HE12 HE12 HE2 . H . . N 0 . . . 0 no no . . . . 82.814 . 36.786 . 39.306 . 1.486 -0.057 -4.061 21 . 30178 CGU HE22 HE22 HE22 HE4 . H . . N 0 . . . 0 no no . . . . 81.047 . 42.506 . 37.728 . -2.737 -0.129 -2.618 22 . 30178 CGU stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 30178 CGU 2 . SING N H no N 2 . 30178 CGU 3 . SING N HN2 no N 3 . 30178 CGU 4 . SING CA C no N 4 . 30178 CGU 5 . SING CA CB no N 5 . 30178 CGU 6 . SING CA HA no N 6 . 30178 CGU 7 . DOUB C O no N 7 . 30178 CGU 8 . SING C OXT no N 8 . 30178 CGU 9 . SING OXT HXT no N 9 . 30178 CGU 10 . SING CB CG no N 10 . 30178 CGU 11 . SING CB HB2 no N 11 . 30178 CGU 12 . SING CB HB3 no N 12 . 30178 CGU 13 . SING CG CD1 no N 13 . 30178 CGU 14 . SING CG CD2 no N 14 . 30178 CGU 15 . SING CG HG no N 15 . 30178 CGU 16 . DOUB CD1 OE11 no N 16 . 30178 CGU 17 . SING CD1 OE12 no N 17 . 30178 CGU 18 . DOUB CD2 OE21 no N 18 . 30178 CGU 19 . SING CD2 OE22 no N 19 . 30178 CGU 20 . SING OE12 HE12 no N 20 . 30178 CGU 21 . SING OE22 HE22 no N 21 . 30178 CGU stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 30178 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 30178 NH2 N SMILES ACDLabs 10.04 30178 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 30178 NH2 [NH2] SMILES CACTVS 3.341 30178 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 30178 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 30178 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30178 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 30178 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30178 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 30178 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 30178 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 30178 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 30178 NH2 2 . SING N HN2 no N 2 . 30178 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30178 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM [U-2H] HEPES, 20 mM MgCl2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 30178 1 2 HEPES [U-2H] . . . . . . 20 . . mM . . . . 30178 1 3 MgCl2 'natural abundance' . . . . . . 20 . . mM . . . . 30178 1 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 30178 _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' 20 . mM 30178 1 pH 7.0 . pH 30178 1 pressure 1 . atm 30178 1 temperature 298 . K 30178 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30178 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30178 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30178 1 collection 30178 1 processing 30178 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30178 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30178 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30178 2 'structure calculation' 30178 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30178 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30178 _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 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 30178 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 30178 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30178 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30178 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30178 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30178 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30178 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30178 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30178 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 30178 1 2 '2D 1H-1H TOCSY' . . . 30178 1 3 '2D DQF-COSY' . . . 30178 1 4 '2D 1H-15N HSQC' . . . 30178 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.9660 0.0500 . 2 . . . . A 1 GLY HA2 . 30178 1 2 . 1 1 1 1 GLY HA3 H 1 4.0510 0.0500 . 2 . . . . A 1 GLY HA3 . 30178 1 3 . 1 1 1 1 GLY CA C 13 43.423 0.200 . 1 . . . . A 1 GLY CA . 30178 1 4 . 1 1 2 2 GLU H H 1 9.0880 0.0500 . 1 . . . . A 2 GLU H . 30178 1 5 . 1 1 2 2 GLU HA H 1 4.0090 0.0500 . 1 . . . . A 2 GLU HA . 30178 1 6 . 1 1 2 2 GLU HB2 H 1 2.1070 0.0500 . 2 . . . . A 2 GLU HB2 . 30178 1 7 . 1 1 2 2 GLU HG2 H 1 2.3940 0.0500 . 2 . . . . A 2 GLU HG2 . 30178 1 8 . 1 1 2 2 GLU HG3 H 1 2.3710 0.0500 . 2 . . . . A 2 GLU HG3 . 30178 1 9 . 1 1 2 2 GLU C C 13 179.45 0.200 . 1 . . . . A 2 GLU C . 30178 1 10 . 1 1 2 2 GLU CA C 13 60.018 0.200 . 1 . . . . A 2 GLU CA . 30178 1 11 . 1 1 2 2 GLU CB C 13 29.652 0.200 . 1 . . . . A 2 GLU CB . 30178 1 12 . 1 1 2 2 GLU CG C 13 36.452 0.200 . 1 . . . . A 2 GLU CG . 30178 1 13 . 1 1 2 2 GLU N N 15 121.83 0.300 . 1 . . . . A 2 GLU N . 30178 1 14 . 1 1 3 3 CGU H H 1 9.1670 0.0500 . 1 . . . . A 3 CGU H . 30178 1 15 . 1 1 3 3 CGU C C 13 179.42 0.200 . 1 . . . . A 3 CGU C . 30178 1 16 . 1 1 3 3 CGU N N 15 121.23 0.300 . 1 . . . . A 3 CGU N . 30178 1 17 . 1 1 3 3 CGU CA C 13 57.618 0.200 . 1 . . . . A 3 CGU CA . 30178 1 18 . 1 1 3 3 CGU CB C 13 30.070 0.200 . 1 . . . . A 3 CGU CB . 30178 1 19 . 1 1 3 3 CGU CG C 13 54.174 0.200 . 1 . . . . A 3 CGU CG . 30178 1 20 . 1 1 3 3 CGU HA H 1 4.4700 0.0500 . 1 . . . . A 3 CGU HA . 30178 1 21 . 1 1 3 3 CGU HB2 H 1 1.8890 0.0500 . 2 . . . . A 3 CGU HB2 . 30178 1 22 . 1 1 3 3 CGU HB3 H 1 2.2100 0.0500 . 2 . . . . A 3 CGU HB3 . 30178 1 23 . 1 1 3 3 CGU HG H 1 3.5470 0.0500 . 2 . . . . A 3 CGU HG . 30178 1 24 . 1 1 4 4 CGU H H 1 7.9820 0.0500 . 1 . . . . A 4 CGU H . 30178 1 25 . 1 1 4 4 CGU C C 13 178.13 0.200 . 1 . . . . A 4 CGU C . 30178 1 26 . 1 1 4 4 CGU N N 15 120.22 0.300 . 1 . . . . A 4 CGU N . 30178 1 27 . 1 1 4 4 CGU CA C 13 60.017 0.200 . 1 . . . . A 4 CGU CA . 30178 1 28 . 1 1 4 4 CGU CB C 13 33.254 0.200 . 1 . . . . A 4 CGU CB . 30178 1 29 . 1 1 4 4 CGU CG C 13 60.027 0.200 . 1 . . . . A 4 CGU CG . 30178 1 30 . 1 1 4 4 CGU HA H 1 4.0090 0.0500 . 1 . . . . A 4 CGU HA . 30178 1 31 . 1 1 4 4 CGU HB2 H 1 2.0540 0.0500 . 2 . . . . A 4 CGU HB2 . 30178 1 32 . 1 1 4 4 CGU HB3 H 1 2.4970 0.0500 . 2 . . . . A 4 CGU HB3 . 30178 1 33 . 1 1 4 4 CGU HG H 1 3.2210 0.0500 . 2 . . . . A 4 CGU HG . 30178 1 34 . 1 1 5 5 LEU H H 1 7.6430 0.0500 . 1 . . . . A 5 LEU H . 30178 1 35 . 1 1 5 5 LEU HA H 1 4.0740 0.0500 . 1 . . . . A 5 LEU HA . 30178 1 36 . 1 1 5 5 LEU HB2 H 1 1.9120 0.0500 . 2 . . . . A 5 LEU HB2 . 30178 1 37 . 1 1 5 5 LEU HB3 H 1 1.5510 0.0500 . 2 . . . . A 5 LEU HB3 . 30178 1 38 . 1 1 5 5 LEU HG H 1 1.8390 0.0500 . 1 . . . . A 5 LEU HG . 30178 1 39 . 1 1 5 5 LEU HD11 H 1 0.91400 0.0500 . 2 . . . . A 5 LEU HD11 . 30178 1 40 . 1 1 5 5 LEU HD12 H 1 0.91400 0.0500 . 2 . . . . A 5 LEU HD12 . 30178 1 41 . 1 1 5 5 LEU HD13 H 1 0.91400 0.0500 . 2 . . . . A 5 LEU HD13 . 30178 1 42 . 1 1 5 5 LEU HD21 H 1 0.88200 0.0500 . 2 . . . . A 5 LEU HD21 . 30178 1 43 . 1 1 5 5 LEU HD22 H 1 0.88200 0.0500 . 2 . . . . A 5 LEU HD22 . 30178 1 44 . 1 1 5 5 LEU HD23 H 1 0.88200 0.0500 . 2 . . . . A 5 LEU HD23 . 30178 1 45 . 1 1 5 5 LEU C C 13 177.19 0.200 . 1 . . . . A 5 LEU C . 30178 1 46 . 1 1 5 5 LEU CA C 13 57.892 0.200 . 1 . . . . A 5 LEU CA . 30178 1 47 . 1 1 5 5 LEU CB C 13 41.467 0.200 . 1 . . . . A 5 LEU CB . 30178 1 48 . 1 1 5 5 LEU CG C 13 26.775 0.200 . 1 . . . . A 5 LEU CG . 30178 1 49 . 1 1 5 5 LEU CD1 C 13 25.380 0.200 . 2 . . . . A 5 LEU CD1 . 30178 1 50 . 1 1 5 5 LEU CD2 C 13 23.060 0.200 . 2 . . . . A 5 LEU CD2 . 30178 1 51 . 1 1 5 5 LEU N N 15 118.87 0.300 . 1 . . . . A 5 LEU N . 30178 1 52 . 1 1 6 6 ALA H H 1 8.0290 0.0500 . 1 . . . . A 6 ALA H . 30178 1 53 . 1 1 6 6 ALA HA H 1 4.1840 0.0500 . 1 . . . . A 6 ALA HA . 30178 1 54 . 1 1 6 6 ALA HB1 H 1 1.5430 0.0500 . 1 . . . . A 6 ALA HB1 . 30178 1 55 . 1 1 6 6 ALA HB2 H 1 1.5430 0.0500 . 1 . . . . A 6 ALA HB2 . 30178 1 56 . 1 1 6 6 ALA HB3 H 1 1.5430 0.0500 . 1 . . . . A 6 ALA HB3 . 30178 1 57 . 1 1 6 6 ALA C C 13 179.88 0.200 . 1 . . . . A 6 ALA C . 30178 1 58 . 1 1 6 6 ALA CA C 13 55.385 0.200 . 1 . . . . A 6 ALA CA . 30178 1 59 . 1 1 6 6 ALA CB C 13 17.920 0.200 . 1 . . . . A 6 ALA CB . 30178 1 60 . 1 1 6 6 ALA N N 15 124.87 0.200 . 1 . . . . A 6 ALA N . 30178 1 61 . 1 1 7 7 CGU H H 1 8.5230 0.300 . 1 . . . . A 7 CGU H . 30178 1 62 . 1 1 7 7 CGU C C 13 181.87 0.200 . 1 . . . . A 7 CGU C . 30178 1 63 . 1 1 7 7 CGU N N 15 120.40 0.300 . 1 . . . . A 7 CGU N . 30178 1 64 . 1 1 7 7 CGU CA C 13 58.229 0.200 . 1 . . . . A 7 CGU CA . 30178 1 65 . 1 1 7 7 CGU CB C 13 32.107 0.200 . 1 . . . . A 7 CGU CB . 30178 1 66 . 1 1 7 7 CGU CG C 13 53.402 0.200 . 1 . . . . A 7 CGU CG . 30178 1 67 . 1 1 7 7 CGU HA H 1 4.2540 0.0500 . 1 . . . . A 7 CGU HA . 30178 1 68 . 1 1 7 7 CGU HB2 H 1 2.2480 0.0500 . 2 . . . . A 7 CGU HB2 . 30178 1 69 . 1 1 7 7 CGU HB3 H 1 2.4470 0.0500 . 2 . . . . A 7 CGU HB3 . 30178 1 70 . 1 1 7 7 CGU HG H 1 3.7870 0.0500 . 2 . . . . A 7 CGU HG . 30178 1 71 . 1 1 8 8 LYS H H 1 7.9490 0.0500 . 1 . . . . A 8 LYS H . 30178 1 72 . 1 1 8 8 LYS HA H 1 4.1730 0.0500 . 1 . . . . A 8 LYS HA . 30178 1 73 . 1 1 8 8 LYS HB2 H 1 1.9600 0.0500 . 2 . . . . A 8 LYS HB2 . 30178 1 74 . 1 1 8 8 LYS HG2 H 1 1.4460 0.0500 . 2 . . . . A 8 LYS HG2 . 30178 1 75 . 1 1 8 8 LYS HD2 H 1 1.7160 0.0500 . 2 . . . . A 8 LYS HD2 . 30178 1 76 . 1 1 8 8 LYS HD3 H 1 1.6510 0.0500 . 2 . . . . A 8 LYS HD3 . 30178 1 77 . 1 1 8 8 LYS HE2 H 1 2.9690 0.0500 . 2 . . . . A 8 LYS HE2 . 30178 1 78 . 1 1 8 8 LYS C C 13 180.51 0.200 . 1 . . . . A 8 LYS C . 30178 1 79 . 1 1 8 8 LYS CA C 13 59.581 0.200 . 1 . . . . A 8 LYS CA . 30178 1 80 . 1 1 8 8 LYS CB C 13 32.688 0.200 . 1 . . . . A 8 LYS CB . 30178 1 81 . 1 1 8 8 LYS CG C 13 25.709 0.200 . 1 . . . . A 8 LYS CG . 30178 1 82 . 1 1 8 8 LYS CD C 13 29.380 0.200 . 1 . . . . A 8 LYS CD . 30178 1 83 . 1 1 8 8 LYS N N 15 120.37 0.300 . 1 . . . . A 8 LYS N . 30178 1 84 . 1 1 9 9 ALA H H 1 8.3040 0.0500 . 1 . . . . A 9 ALA H . 30178 1 85 . 1 1 9 9 ALA HA H 1 4.2660 0.0500 . 1 . . . . A 9 ALA HA . 30178 1 86 . 1 1 9 9 ALA HB1 H 1 1.5610 0.0500 . 1 . . . . A 9 ALA HB1 . 30178 1 87 . 1 1 9 9 ALA HB2 H 1 1.5610 0.0500 . 1 . . . . A 9 ALA HB2 . 30178 1 88 . 1 1 9 9 ALA HB3 H 1 1.5610 0.0500 . 1 . . . . A 9 ALA HB3 . 30178 1 89 . 1 1 9 9 ALA C C 13 179.25 0.200 . 1 . . . . A 9 ALA C . 30178 1 90 . 1 1 9 9 ALA CA C 13 54.927 0.200 . 1 . . . . A 9 ALA CA . 30178 1 91 . 1 1 9 9 ALA CB C 13 17.924 0.200 . 1 . . . . A 9 ALA CB . 30178 1 92 . 1 1 9 9 ALA N N 15 123.10 0.200 . 1 . . . . A 9 ALA N . 30178 1 93 . 1 1 10 10 CGU H H 1 8.1700 0.300 . 1 . . . . A 10 CGU H . 30178 1 94 . 1 1 10 10 CGU C C 13 180.71 0.200 . 1 . . . . A 10 CGU C . 30178 1 95 . 1 1 10 10 CGU N N 15 120.22 0.300 . 1 . . . . A 10 CGU N . 30178 1 96 . 1 1 10 10 CGU CA C 13 57.315 0.200 . 1 . . . . A 10 CGU CA . 30178 1 97 . 1 1 10 10 CGU CB C 13 29.903 0.200 . 1 . . . . A 10 CGU CB . 30178 1 98 . 1 1 10 10 CGU CG C 13 53.170 0.200 . 1 . . . . A 10 CGU CG . 30178 1 99 . 1 1 10 10 CGU HA H 1 4.6370 0.0500 . 1 . . . . A 10 CGU HA . 30178 1 100 . 1 1 10 10 CGU HB2 H 1 2.1520 0.0500 . 2 . . . . A 10 CGU HB2 . 30178 1 101 . 1 1 10 10 CGU HB3 H 1 2.2140 0.0500 . 2 . . . . A 10 CGU HB3 . 30178 1 102 . 1 1 10 10 CGU HG H 1 3.7180 0.0500 . 2 . . . . A 10 CGU HG . 30178 1 103 . 1 1 11 11 PHE H H 1 8.2210 0.0500 . 1 . . . . A 11 PHE H . 30178 1 104 . 1 1 11 11 PHE HA H 1 4.3790 0.0500 . 1 . . . . A 11 PHE HA . 30178 1 105 . 1 1 11 11 PHE HB2 H 1 3.2920 0.0500 . 2 . . . . A 11 PHE HB2 . 30178 1 106 . 1 1 11 11 PHE HB3 H 1 3.1970 0.0500 . 2 . . . . A 11 PHE HB3 . 30178 1 107 . 1 1 11 11 PHE HD1 H 1 7.3640 0.0500 . 3 . . . . A 11 PHE HD1 . 30178 1 108 . 1 1 11 11 PHE HE1 H 1 7.3200 0.0500 . 3 . . . . A 11 PHE HE1 . 30178 1 109 . 1 1 11 11 PHE HZ H 1 7.3030 0.0500 . 1 . . . . A 11 PHE HZ . 30178 1 110 . 1 1 11 11 PHE C C 13 178.12 0.200 . 1 . . . . A 11 PHE C . 30178 1 111 . 1 1 11 11 PHE CA C 13 60.375 0.200 . 1 . . . . A 11 PHE CA . 30178 1 112 . 1 1 11 11 PHE CB C 13 38.839 0.200 . 1 . . . . A 11 PHE CB . 30178 1 113 . 1 1 11 11 PHE CE1 C 13 124.86 0.200 . 3 . . . . A 11 PHE CE1 . 30178 1 114 . 1 1 11 11 PHE CZ C 13 123.16 0.200 . 1 . . . . A 11 PHE CZ . 30178 1 115 . 1 1 11 11 PHE N N 15 122.62 0.300 . 1 . . . . A 11 PHE N . 30178 1 116 . 1 1 12 12 ALA H H 1 7.8610 0.0500 . 1 . . . . A 12 ALA H . 30178 1 117 . 1 1 12 12 ALA HA H 1 3.9490 0.0500 . 1 . . . . A 12 ALA HA . 30178 1 118 . 1 1 12 12 ALA HB1 H 1 1.5250 0.0500 . 1 . . . . A 12 ALA HB1 . 30178 1 119 . 1 1 12 12 ALA HB2 H 1 1.5250 0.0500 . 1 . . . . A 12 ALA HB2 . 30178 1 120 . 1 1 12 12 ALA HB3 H 1 1.5250 0.0500 . 1 . . . . A 12 ALA HB3 . 30178 1 121 . 1 1 12 12 ALA C C 13 180.43 0.200 . 1 . . . . A 12 ALA C . 30178 1 122 . 1 1 12 12 ALA CA C 13 54.931 0.200 . 1 . . . . A 12 ALA CA . 30178 1 123 . 1 1 12 12 ALA CB C 13 17.910 0.200 . 1 . . . . A 12 ALA CB . 30178 1 124 . 1 1 12 12 ALA N N 15 118.96 0.200 . 1 . . . . A 12 ALA N . 30178 1 125 . 1 1 13 13 ARG H H 1 7.9160 0.300 . 1 . . . . A 13 ARG H . 30178 1 126 . 1 1 13 13 ARG HA H 1 3.8980 0.0500 . 1 . . . . A 13 ARG HA . 30178 1 127 . 1 1 13 13 ARG HB2 H 1 1.9670 0.0500 . 2 . . . . A 13 ARG HB2 . 30178 1 128 . 1 1 13 13 ARG HB3 H 1 1.9270 0.0500 . 2 . . . . A 13 ARG HB3 . 30178 1 129 . 1 1 13 13 ARG HG2 H 1 1.6910 0.0500 . 2 . . . . A 13 ARG HG2 . 30178 1 130 . 1 1 13 13 ARG HG3 H 1 1.4460 0.0500 . 2 . . . . A 13 ARG HG3 . 30178 1 131 . 1 1 13 13 ARG HD2 H 1 2.9720 0.0500 . 2 . . . . A 13 ARG HD2 . 30178 1 132 . 1 1 13 13 ARG C C 13 180.32 0.200 . 1 . . . . A 13 ARG C . 30178 1 133 . 1 1 13 13 ARG CA C 13 59.575 0.200 . 1 . . . . A 13 ARG CA . 30178 1 134 . 1 1 13 13 ARG CB C 13 30.405 0.200 . 1 . . . . A 13 ARG CB . 30178 1 135 . 1 1 13 13 ARG CG C 13 27.561 0.200 . 1 . . . . A 13 ARG CG . 30178 1 136 . 1 1 13 13 ARG CD C 13 42.260 0.300 . 1 . . . . A 13 ARG CD . 30178 1 137 . 1 1 13 13 ARG N N 15 121.46 0.0500 . 1 . . . . A 13 ARG N . 30178 1 138 . 1 1 14 14 CGU H H 1 8.3510 0.0500 . 1 . . . . A 14 CGU H . 30178 1 139 . 1 1 14 14 CGU C C 13 179.36 0.200 . 1 . . . . A 14 CGU C . 30178 1 140 . 1 1 14 14 CGU N N 15 119.14 0.300 . 1 . . . . A 14 CGU N . 30178 1 141 . 1 1 14 14 CGU CA C 13 58.247 0.200 . 1 . . . . A 14 CGU CA . 30178 1 142 . 1 1 14 14 CGU CB C 13 31.846 0.200 . 1 . . . . A 14 CGU CB . 30178 1 143 . 1 1 14 14 CGU CG C 13 53.733 0.200 . 1 . . . . A 14 CGU CG . 30178 1 144 . 1 1 14 14 CGU HA H 1 3.9900 0.0500 . 1 . . . . A 14 CGU HA . 30178 1 145 . 1 1 14 14 CGU HB2 H 1 2.1710 0.0500 . 2 . . . . A 14 CGU HB2 . 30178 1 146 . 1 1 14 14 CGU HB3 H 1 2.5010 0.0500 . 2 . . . . A 14 CGU HB3 . 30178 1 147 . 1 1 14 14 CGU HG H 1 3.7190 0.0500 . 2 . . . . A 14 CGU HG . 30178 1 148 . 1 1 15 15 LEU H H 1 7.9030 0.0500 . 1 . . . . A 15 LEU H . 30178 1 149 . 1 1 15 15 LEU HA H 1 3.9580 0.0500 . 1 . . . . A 15 LEU HA . 30178 1 150 . 1 1 15 15 LEU HB2 H 1 1.5190 0.0500 . 2 . . . . A 15 LEU HB2 . 30178 1 151 . 1 1 15 15 LEU HG H 1 1.4450 0.0500 . 1 . . . . A 15 LEU HG . 30178 1 152 . 1 1 15 15 LEU HD11 H 1 0.73900 0.0500 . 2 . . . . A 15 LEU HD11 . 30178 1 153 . 1 1 15 15 LEU HD12 H 1 0.73900 0.0500 . 2 . . . . A 15 LEU HD12 . 30178 1 154 . 1 1 15 15 LEU HD13 H 1 0.73900 0.0500 . 2 . . . . A 15 LEU HD13 . 30178 1 155 . 1 1 15 15 LEU HD21 H 1 0.64500 0.0500 . 2 . . . . A 15 LEU HD21 . 30178 1 156 . 1 1 15 15 LEU HD22 H 1 0.64500 0.0500 . 2 . . . . A 15 LEU HD22 . 30178 1 157 . 1 1 15 15 LEU HD23 H 1 0.64500 0.0500 . 2 . . . . A 15 LEU HD23 . 30178 1 158 . 1 1 15 15 LEU C C 13 180.14 0.200 . 1 . . . . A 15 LEU C . 30178 1 159 . 1 1 15 15 LEU CA C 13 57.280 0.200 . 1 . . . . A 15 LEU CA . 30178 1 160 . 1 1 15 15 LEU CB C 13 42.055 0.200 . 1 . . . . A 15 LEU CB . 30178 1 161 . 1 1 15 15 LEU CG C 13 26.586 0.200 . 1 . . . . A 15 LEU CG . 30178 1 162 . 1 1 15 15 LEU CD1 C 13 23.570 0.200 . 2 . . . . A 15 LEU CD1 . 30178 1 163 . 1 1 15 15 LEU CD2 C 13 27.870 0.200 . 2 . . . . A 15 LEU CD2 . 30178 1 164 . 1 1 15 15 LEU N N 15 119.21 0.300 . 1 . . . . A 15 LEU N . 30178 1 165 . 1 1 16 16 ALA H H 1 7.6710 0.0500 . 1 . . . . A 16 ALA H . 30178 1 166 . 1 1 16 16 ALA HA H 1 4.1570 0.0500 . 1 . . . . A 16 ALA HA . 30178 1 167 . 1 1 16 16 ALA HB1 H 1 1.4320 0.0500 . 1 . . . . A 16 ALA HB1 . 30178 1 168 . 1 1 16 16 ALA HB2 H 1 1.4320 0.0500 . 1 . . . . A 16 ALA HB2 . 30178 1 169 . 1 1 16 16 ALA HB3 H 1 1.4320 0.0500 . 1 . . . . A 16 ALA HB3 . 30178 1 170 . 1 1 16 16 ALA C C 13 178.60 0.200 . 1 . . . . A 16 ALA C . 30178 1 171 . 1 1 16 16 ALA CA C 13 53.712 0.200 . 1 . . . . A 16 ALA CA . 30178 1 172 . 1 1 16 16 ALA CB C 13 18.340 0.200 . 1 . . . . A 16 ALA CB . 30178 1 173 . 1 1 16 16 ALA N N 15 120.65 0.200 . 1 . . . . A 16 ALA N . 30178 1 174 . 1 1 17 17 ASN H H 1 7.7100 0.300 . 1 . . . . A 17 ASN H . 30178 1 175 . 1 1 17 17 ASN HA H 1 4.6260 0.0500 . 1 . . . . A 17 ASN HA . 30178 1 176 . 1 1 17 17 ASN HB2 H 1 2.7520 0.0500 . 2 . . . . A 17 ASN HB2 . 30178 1 177 . 1 1 17 17 ASN HB3 H 1 2.6620 0.0500 . 2 . . . . A 17 ASN HB3 . 30178 1 178 . 1 1 17 17 ASN HD21 H 1 7.6120 0.0500 . 2 . . . . A 17 ASN HD21 . 30178 1 179 . 1 1 17 17 ASN HD22 H 1 6.8300 0.0500 . 2 . . . . A 17 ASN HD22 . 30178 1 180 . 1 1 17 17 ASN C C 13 178.47 0.200 . 1 . . . . A 17 ASN C . 30178 1 181 . 1 1 17 17 ASN CA C 13 53.859 0.200 . 1 . . . . A 17 ASN CA . 30178 1 182 . 1 1 17 17 ASN CB C 13 39.169 0.200 . 1 . . . . A 17 ASN CB . 30178 1 183 . 1 1 17 17 ASN CG C 13 113.30 0.200 . 1 . . . . A 17 ASN CG . 30178 1 184 . 1 1 17 17 ASN N N 15 116.00 0.300 . 1 . . . . A 17 ASN N . 30178 1 185 . 1 1 17 17 ASN ND2 N 15 113.30 0.0500 . 1 . . . . A 17 ASN ND2 . 30178 1 186 . 1 1 18 18 TYR H H 1 7.7550 0.0500 . 1 . . . . A 18 TYR H . 30178 1 187 . 1 1 18 18 TYR HA H 1 4.4420 0.0500 . 1 . . . . A 18 TYR HA . 30178 1 188 . 1 1 18 18 TYR HB2 H 1 3.1200 0.0500 . 2 . . . . A 18 TYR HB2 . 30178 1 189 . 1 1 18 18 TYR HB3 H 1 3.0600 0.0500 . 2 . . . . A 18 TYR HB3 . 30178 1 190 . 1 1 18 18 TYR HD1 H 1 7.1960 0.0500 . 3 . . . . A 18 TYR HD1 . 30178 1 191 . 1 1 18 18 TYR HE1 H 1 6.4860 0.0500 . 3 . . . . A 18 TYR HE1 . 30178 1 192 . 1 1 18 18 TYR C C 13 175.19 0.200 . 1 . . . . A 18 TYR C . 30178 1 193 . 1 1 18 18 TYR CA C 13 58.549 0.200 . 1 . . . . A 18 TYR CA . 30178 1 194 . 1 1 18 18 TYR CB C 13 38.695 0.200 . 1 . . . . A 18 TYR CB . 30178 1 195 . 1 1 18 18 TYR CD1 C 13 126.43 0.200 . 3 . . . . A 18 TYR CD1 . 30178 1 196 . 1 1 18 18 TYR CE1 C 13 119.46 0.200 . 3 . . . . A 18 TYR CE1 . 30178 1 197 . 1 1 18 18 TYR CZ C 13 126.43 0.200 . 1 . . . . A 18 TYR CZ . 30178 1 198 . 1 1 18 18 TYR N N 15 120.65 0.300 . 1 . . . . A 18 TYR N . 30178 1 199 . 1 1 19 19 NH2 N N 15 107.92 0.300 . 1 . . . . A 19 NH2 N . 30178 1 200 . 1 1 19 19 NH2 HN1 H 1 7.3840 0.0500 . 2 . . . . A 19 NH2 HN1 . 30178 1 201 . 1 1 19 19 NH2 HN2 H 1 7.0570 0.0500 . 2 . . . . A 19 NH2 HN2 . 30178 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30178 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 11 ppm . . . 4.76 . . 30178 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 . . . 30178 1 2 . . . 30178 1 3 . . . 30178 1 4 . . . 30178 1 5 . . . 30178 1 6 . . . 30178 1 7 . . . 30178 1 8 . . . 30178 1 9 . . . 30178 1 10 . . . 30178 1 11 . . . 30178 1 12 . . . 30178 1 13 . . . 30178 1 14 . . . 30178 1 15 . . . 30178 1 16 . . . 30178 1 17 . . . 30178 1 18 . . . 30178 1 19 . . . 30178 1 20 . . . 30178 1 21 . . . 30178 1 22 . . . 30178 1 23 . . . 30178 1 24 . . . 30178 1 25 . . . 30178 1 26 . . . 30178 1 27 . . . 30178 1 28 . . . 30178 1 29 . . . 30178 1 30 . . . 30178 1 31 . . . 30178 1 32 . . . 30178 1 33 . . . 30178 1 34 . . . 30178 1 35 . . . 30178 1 36 . . . 30178 1 37 . . . 30178 1 38 . . . 30178 1 39 . . . 30178 1 40 . . . 30178 1 41 . . . 30178 1 42 . . . 30178 1 43 . . . 30178 1 44 . . . 30178 1 45 . . . 30178 1 46 . . . 30178 1 47 . . . 30178 1 48 . . . 30178 1 49 . . . 30178 1 50 . . . 30178 1 51 . . . 30178 1 52 . . . 30178 1 53 . . . 30178 1 54 . . . 30178 1 55 . . . 30178 1 56 . . . 30178 1 57 . . . 30178 1 58 . . . 30178 1 59 . . . 30178 1 60 . . . 30178 1 61 . . . 30178 1 62 . . . 30178 1 63 . . . 30178 1 64 . . . 30178 1 65 . . . 30178 1 66 . . . 30178 1 67 . . . 30178 1 68 . . . 30178 1 69 . . . 30178 1 70 . . . 30178 1 71 . . . 30178 1 72 . . . 30178 1 73 . . . 30178 1 74 . . . 30178 1 75 . . . 30178 1 76 . . . 30178 1 77 . . . 30178 1 78 . . . 30178 1 79 . . . 30178 1 80 . . . 30178 1 81 . . . 30178 1 82 . . . 30178 1 83 . . . 30178 1 84 . . . 30178 1 85 . . . 30178 1 86 . . . 30178 1 87 . . . 30178 1 88 . . . 30178 1 89 . . . 30178 1 90 . . . 30178 1 91 . . . 30178 1 92 . . . 30178 1 93 . . . 30178 1 94 . . . 30178 1 95 . . . 30178 1 96 . . . 30178 1 97 . . . 30178 1 98 . . . 30178 1 99 . . . 30178 1 100 . . . 30178 1 101 . . . 30178 1 102 . . . 30178 1 103 . . . 30178 1 104 . . . 30178 1 105 . . . 30178 1 106 . . . 30178 1 107 . . . 30178 1 108 . . . 30178 1 109 . . . 30178 1 110 . . . 30178 1 111 . . . 30178 1 112 . . . 30178 1 113 . . . 30178 1 114 . . . 30178 1 115 . . . 30178 1 116 . . . 30178 1 117 . . . 30178 1 118 . . . 30178 1 119 . . . 30178 1 120 . . . 30178 1 121 . . . 30178 1 122 . . . 30178 1 123 . . . 30178 1 124 . . . 30178 1 125 . . . 30178 1 126 . . . 30178 1 127 . . . 30178 1 128 . . . 30178 1 129 . . . 30178 1 130 . . . 30178 1 131 . . . 30178 1 132 . . . 30178 1 133 . . . 30178 1 134 . . . 30178 1 135 . . . 30178 1 136 . . . 30178 1 137 . . . 30178 1 138 . . . 30178 1 139 . . . 30178 1 140 . . . 30178 1 141 . . . 30178 1 142 . . . 30178 1 143 . . . 30178 1 144 . . . 30178 1 145 . . . 30178 1 146 . . . 30178 1 147 . . . 30178 1 148 . . . 30178 1 149 . . . 30178 1 150 . . . 30178 1 151 . . . 30178 1 152 . . . 30178 1 153 . . . 30178 1 154 . . . 30178 1 155 . . . 30178 1 156 . . . 30178 1 157 . . . 30178 1 158 . . . 30178 1 159 . . . 30178 1 160 . . . 30178 1 161 . . . 30178 1 162 . . . 30178 1 163 . . . 30178 1 164 . . . 30178 1 165 . . . 30178 1 166 . . . 30178 1 167 . . . 30178 1 168 . . . 30178 1 169 . . . 30178 1 170 . . . 30178 1 171 . . . 30178 1 172 . . . 30178 1 173 . . . 30178 1 174 . . . 30178 1 175 . . . 30178 1 176 . . . 30178 1 177 . . . 30178 1 178 . . . 30178 1 179 . . . 30178 1 180 . . . 30178 1 181 . . . 30178 1 182 . . . 30178 1 183 . . . 30178 1 184 . . . 30178 1 185 . . . 30178 1 186 . . . 30178 1 187 . . . 30178 1 188 . . . 30178 1 189 . . . 30178 1 190 . . . 30178 1 191 . . . 30178 1 192 . . . 30178 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 47517.0 . height 30178 1 2 699496.0 . height 30178 1 3 1151799.0 . height 30178 1 4 1141797.0 . height 30178 1 5 734166.0 . height 30178 1 6 21614.0 . height 30178 1 7 304324.0 . height 30178 1 8 224803.0 . height 30178 1 9 254937.0 . height 30178 1 10 182386.0 . height 30178 1 11 308420.0 . height 30178 1 12 1056419.0 . height 30178 1 13 786483.0 . height 30178 1 14 1237923.0 . height 30178 1 15 340045.0 . height 30178 1 16 381208.0 . height 30178 1 17 5998187.0 . height 30178 1 18 311250.0 . height 30178 1 19 444536.0 . height 30178 1 20 794697.0 . height 30178 1 21 6026427.0 . height 30178 1 22 256833.0 . height 30178 1 23 1024801.0 . height 30178 1 24 725923.0 . height 30178 1 25 344136.0 . height 30178 1 26 739872.0 . height 30178 1 27 212360.0 . height 30178 1 28 1065639.0 . height 30178 1 29 226245.0 . height 30178 1 30 2167227.0 . height 30178 1 31 1117474.0 . height 30178 1 32 1398936.0 . height 30178 1 33 922515.0 . height 30178 1 34 4887567.0 . height 30178 1 35 769944.0 . height 30178 1 36 418562.0 . height 30178 1 37 1057043.0 . height 30178 1 38 412228.0 . height 30178 1 39 320737.0 . height 30178 1 40 1711985.0 . height 30178 1 41 1027200.0 . height 30178 1 42 2124349.0 . height 30178 1 43 620620.0 . height 30178 1 44 1989411.0 . height 30178 1 45 1106307.0 . height 30178 1 46 5244608.0 . height 30178 1 47 1007406.0 . height 30178 1 48 671383.0 . height 30178 1 49 1276802.0 . height 30178 1 50 2164645.0 . height 30178 1 51 1512997.0 . height 30178 1 52 1125372.0 . height 30178 1 53 2355408.0 . height 30178 1 54 2035259.0 . height 30178 1 55 2211023.0 . height 30178 1 56 199551.0 . height 30178 1 57 921342.0 . height 30178 1 58 370323.0 . height 30178 1 59 490729.0 . height 30178 1 60 1243273.0 . height 30178 1 61 2193517.0 . height 30178 1 62 1981899.0 . height 30178 1 63 1901102.0 . height 30178 1 64 201287.0 . height 30178 1 65 940295.0 . height 30178 1 66 877176.0 . height 30178 1 67 8178529.0 . height 30178 1 68 698399.0 . height 30178 1 69 588956.0 . height 30178 1 70 700052.0 . height 30178 1 71 258838.0 . height 30178 1 72 606336.0 . height 30178 1 73 168809.0 . height 30178 1 74 528587.0 . height 30178 1 75 1794085.0 . height 30178 1 76 1603403.0 . height 30178 1 77 1044532.0 . height 30178 1 78 2518717.0 . height 30178 1 79 3619640.0 . height 30178 1 80 1670609.0 . height 30178 1 81 272904.0 . height 30178 1 82 584928.0 . height 30178 1 83 1123088.0 . height 30178 1 84 634952.0 . height 30178 1 85 396200.0 . height 30178 1 86 582465.0 . height 30178 1 87 523166.0 . height 30178 1 88 769995.0 . height 30178 1 89 1690884.0 . height 30178 1 90 1564290.0 . height 30178 1 91 1609546.0 . height 30178 1 92 929394.0 . height 30178 1 93 1744737.0 . height 30178 1 94 269237.0 . height 30178 1 95 260848.0 . height 30178 1 96 250624.0 . height 30178 1 97 1077587.0 . height 30178 1 98 1844335.0 . height 30178 1 99 1952477.0 . height 30178 1 100 2014279.0 . height 30178 1 101 416721.0 . height 30178 1 102 451311.0 . height 30178 1 103 1047194.0 . height 30178 1 104 274246.0 . height 30178 1 105 1962500.0 . height 30178 1 106 1508137.0 . height 30178 1 107 2751518.0 . height 30178 1 108 2214073.0 . height 30178 1 109 375146.0 . height 30178 1 110 253483.0 . height 30178 1 111 404288.0 . height 30178 1 112 1042091.0 . height 30178 1 113 1705414.0 . height 30178 1 114 412332.0 . height 30178 1 115 904426.0 . height 30178 1 116 570974.0 . height 30178 1 117 749008.0 . height 30178 1 118 380483.0 . height 30178 1 119 983121.0 . height 30178 1 120 544882.0 . height 30178 1 121 444053.0 . height 30178 1 122 1618674.0 . height 30178 1 123 2360466.0 . height 30178 1 124 2631215.0 . height 30178 1 125 1567298.0 . height 30178 1 126 251495.0 . height 30178 1 127 480519.0 . height 30178 1 128 361687.0 . height 30178 1 129 1270359.0 . height 30178 1 130 559312.0 . height 30178 1 131 1381729.0 . height 30178 1 132 1595011.0 . height 30178 1 133 1089651.0 . height 30178 1 134 291705.0 . height 30178 1 135 975033.0 . height 30178 1 136 358127.0 . height 30178 1 137 263121.0 . height 30178 1 138 1838845.0 . height 30178 1 139 490561.0 . height 30178 1 140 2499641.0 . height 30178 1 141 1475060.0 . height 30178 1 142 1152436.0 . height 30178 1 143 1343466.0 . height 30178 1 144 252509.0 . height 30178 1 145 7844966.0 . height 30178 1 146 1745226.0 . height 30178 1 147 975243.0 . height 30178 1 148 308657.0 . height 30178 1 149 602215.0 . height 30178 1 150 447858.0 . height 30178 1 151 3308528.0 . height 30178 1 152 1645498.0 . height 30178 1 153 1170812.0 . height 30178 1 154 2612935.0 . height 30178 1 155 4218352.0 . height 30178 1 156 208708.0 . height 30178 1 157 2296022.0 . height 30178 1 158 216838.0 . height 30178 1 159 206893.0 . height 30178 1 160 265987.0 . height 30178 1 161 685558.0 . height 30178 1 162 1465433.0 . height 30178 1 163 2162890.0 . height 30178 1 164 2294235.0 . height 30178 1 165 1525359.0 . height 30178 1 166 664800.0 . height 30178 1 167 242181.0 . height 30178 1 168 964042.0 . height 30178 1 169 1965410.0 . height 30178 1 170 2121794.0 . height 30178 1 171 556734.0 . height 30178 1 172 2.1390988E7 . height 30178 1 173 2.4037842E7 . height 30178 1 174 584824.0 . height 30178 1 175 830684.0 . height 30178 1 176 2032486.0 . height 30178 1 177 2044600.0 . height 30178 1 178 825754.0 . height 30178 1 179 1166973.0 . height 30178 1 180 411913.0 . height 30178 1 181 245932.0 . height 30178 1 182 886375.0 . height 30178 1 183 377997.0 . height 30178 1 184 270642.0 . height 30178 1 185 1810582.0 . height 30178 1 186 1687235.0 . height 30178 1 187 1184546.0 . height 30178 1 188 440975.0 . height 30178 1 189 709630.0 . height 30178 1 190 572404.0 . height 30178 1 191 1.8199296E7 . height 30178 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 6.759 . . . . . . . . . . . . . 30178 1 1 2 6.869 . . . . . . . . . . . . . 30178 1 2 1 1.438 . . . . . . . . . . . . . 30178 1 2 2 7.364 . . . . . . . . . . . . . 30178 1 3 1 1.949 . . . . . . . . . . . . . 30178 1 3 2 4.078 . . . . . . . . . . . . . 30178 1 4 1 0.743 . . . . . . . . . . . . . 30178 1 4 2 1.456 . . . . . . . . . . . . . 30178 1 5 1 1.448 . . . . . . . . . . . . . 30178 1 5 2 3.403 . . . . . . . . . . . . . 30178 1 6 1 7.617 . . . . . . . . . . . . . 30178 1 6 2 7.156 . . . . . . . . . . . . . 30178 1 7 1 1.957 . . . . . . . . . . . . . 30178 1 7 2 4.262 . . . . . . . . . . . . . 30178 1 8 1 1.544 . . . . . . . . . . . . . 30178 1 8 2 3.788 . . . . . . . . . . . . . 30178 1 9 1 1.958 . . . . . . . . . . . . . 30178 1 9 2 3.719 . . . . . . . . . . . . . 30178 1 10 1 3.297 . . . . . . . . . . . . . 30178 1 10 2 3.71 . . . . . . . . . . . . . 30178 1 11 1 1.839 . . . . . . . . . . . . . 30178 1 11 2 4.01 . . . . . . . . . . . . . 30178 1 12 1 1.687 . . . . . . . . . . . . . 30178 1 12 2 3.392 . . . . . . . . . . . . . 30178 1 13 1 1.947 . . . . . . . . . . . . . 30178 1 13 2 2.972 . . . . . . . . . . . . . 30178 1 14 1 8.298 . . . . . . . . . . . . . 30178 1 14 2 8.225 . . . . . . . . . . . . . 30178 1 15 1 2.278 . . . . . . . . . . . . . 30178 1 15 2 3.279 . . . . . . . . . . . . . 30178 1 16 1 2.467 . . . . . . . . . . . . . 30178 1 16 2 8.309 . . . . . . . . . . . . . 30178 1 17 1 2.975 . . . . . . . . . . . . . 30178 1 17 2 3.393 . . . . . . . . . . . . . 30178 1 18 1 3.275 . . . . . . . . . . . . . 30178 1 18 2 4.22 . . . . . . . . . . . . . 30178 1 19 1 1.891 . . . . . . . . . . . . . 30178 1 19 2 4.476 . . . . . . . . . . . . . 30178 1 20 1 2.21 . . . . . . . . . . . . . 30178 1 20 2 4.471 . . . . . . . . . . . . . 30178 1 21 1 1.891 . . . . . . . . . . . . . 30178 1 21 2 2.211 . . . . . . . . . . . . . 30178 1 22 1 1.549 . . . . . . . . . . . . . 30178 1 22 2 2.214 . . . . . . . . . . . . . 30178 1 23 1 1.891 . . . . . . . . . . . . . 30178 1 23 2 3.549 . . . . . . . . . . . . . 30178 1 24 1 2.216 . . . . . . . . . . . . . 30178 1 24 2 3.549 . . . . . . . . . . . . . 30178 1 25 1 4.014 . . . . . . . . . . . . . 30178 1 25 2 9.172 . . . . . . . . . . . . . 30178 1 26 1 4.475 . . . . . . . . . . . . . 30178 1 26 2 9.17 . . . . . . . . . . . . . 30178 1 27 1 3.548 . . . . . . . . . . . . . 30178 1 27 2 9.171 . . . . . . . . . . . . . 30178 1 28 1 7.981 . . . . . . . . . . . . . 30178 1 28 2 9.172 . . . . . . . . . . . . . 30178 1 29 1 3.548 . . . . . . . . . . . . . 30178 1 29 2 4.002 . . . . . . . . . . . . . 30178 1 30 1 2.096 . . . . . . . . . . . . . 30178 1 30 2 4.01 . . . . . . . . . . . . . 30178 1 31 1 2.488 . . . . . . . . . . . . . 30178 1 31 2 4.012 . . . . . . . . . . . . . 30178 1 32 1 3.219 . . . . . . . . . . . . . 30178 1 32 2 4.01 . . . . . . . . . . . . . 30178 1 33 1 1.921 . . . . . . . . . . . . . 30178 1 33 2 4.01 . . . . . . . . . . . . . 30178 1 34 1 2.053 . . . . . . . . . . . . . 30178 1 34 2 2.489 . . . . . . . . . . . . . 30178 1 35 1 2.053 . . . . . . . . . . . . . 30178 1 35 2 3.222 . . . . . . . . . . . . . 30178 1 36 1 4.474 . . . . . . . . . . . . . 30178 1 36 2 7.981 . . . . . . . . . . . . . 30178 1 37 1 1.892 . . . . . . . . . . . . . 30178 1 37 2 7.981 . . . . . . . . . . . . . 30178 1 38 1 2.211 . . . . . . . . . . . . . 30178 1 38 2 7.981 . . . . . . . . . . . . . 30178 1 39 1 3.549 . . . . . . . . . . . . . 30178 1 39 2 7.982 . . . . . . . . . . . . . 30178 1 40 1 4.01 . . . . . . . . . . . . . 30178 1 40 2 7.981 . . . . . . . . . . . . . 30178 1 41 1 2.052 . . . . . . . . . . . . . 30178 1 41 2 7.981 . . . . . . . . . . . . . 30178 1 42 1 2.497 . . . . . . . . . . . . . 30178 1 42 2 7.981 . . . . . . . . . . . . . 30178 1 43 1 3.221 . . . . . . . . . . . . . 30178 1 43 2 7.982 . . . . . . . . . . . . . 30178 1 44 1 7.646 . . . . . . . . . . . . . 30178 1 44 2 7.981 . . . . . . . . . . . . . 30178 1 45 1 1.547 . . . . . . . . . . . . . 30178 1 45 2 4.075 . . . . . . . . . . . . . 30178 1 46 1 1.552 . . . . . . . . . . . . . 30178 1 46 2 1.925 . . . . . . . . . . . . . 30178 1 47 1 4.009 . . . . . . . . . . . . . 30178 1 47 2 7.647 . . . . . . . . . . . . . 30178 1 48 1 2.052 . . . . . . . . . . . . . 30178 1 48 2 7.646 . . . . . . . . . . . . . 30178 1 49 1 2.497 . . . . . . . . . . . . . 30178 1 49 2 7.647 . . . . . . . . . . . . . 30178 1 50 1 7.984 . . . . . . . . . . . . . 30178 1 50 2 7.647 . . . . . . . . . . . . . 30178 1 51 1 4.076 . . . . . . . . . . . . . 30178 1 51 2 7.646 . . . . . . . . . . . . . 30178 1 52 1 1.548 . . . . . . . . . . . . . 30178 1 52 2 7.647 . . . . . . . . . . . . . 30178 1 53 1 1.922 . . . . . . . . . . . . . 30178 1 53 2 7.647 . . . . . . . . . . . . . 30178 1 54 1 1.839 . . . . . . . . . . . . . 30178 1 54 2 7.647 . . . . . . . . . . . . . 30178 1 55 1 8.027 . . . . . . . . . . . . . 30178 1 55 2 7.647 . . . . . . . . . . . . . 30178 1 56 1 8.526 . . . . . . . . . . . . . 30178 1 56 2 7.646 . . . . . . . . . . . . . 30178 1 57 1 4.475 . . . . . . . . . . . . . 30178 1 57 2 8.031 . . . . . . . . . . . . . 30178 1 58 1 4.01 . . . . . . . . . . . . . 30178 1 58 2 8.03 . . . . . . . . . . . . . 30178 1 59 1 4.076 . . . . . . . . . . . . . 30178 1 59 2 8.03 . . . . . . . . . . . . . 30178 1 60 1 1.922 . . . . . . . . . . . . . 30178 1 60 2 8.031 . . . . . . . . . . . . . 30178 1 61 1 7.646 . . . . . . . . . . . . . 30178 1 61 2 8.03 . . . . . . . . . . . . . 30178 1 62 1 4.185 . . . . . . . . . . . . . 30178 1 62 2 8.03 . . . . . . . . . . . . . 30178 1 63 1 8.526 . . . . . . . . . . . . . 30178 1 63 2 8.031 . . . . . . . . . . . . . 30178 1 64 1 8.307 . . . . . . . . . . . . . 30178 1 64 2 8.028 . . . . . . . . . . . . . 30178 1 65 1 2.445 . . . . . . . . . . . . . 30178 1 65 2 4.246 . . . . . . . . . . . . . 30178 1 66 1 3.788 . . . . . . . . . . . . . 30178 1 66 2 4.253 . . . . . . . . . . . . . 30178 1 67 1 2.248 . . . . . . . . . . . . . 30178 1 67 2 2.447 . . . . . . . . . . . . . 30178 1 68 1 3.549 . . . . . . . . . . . . . 30178 1 68 2 3.785 . . . . . . . . . . . . . 30178 1 69 1 2.243 . . . . . . . . . . . . . 30178 1 69 2 3.786 . . . . . . . . . . . . . 30178 1 70 1 2.448 . . . . . . . . . . . . . 30178 1 70 2 3.786 . . . . . . . . . . . . . 30178 1 71 1 4.475 . . . . . . . . . . . . . 30178 1 71 2 8.526 . . . . . . . . . . . . . 30178 1 72 1 4.01 . . . . . . . . . . . . . 30178 1 72 2 8.526 . . . . . . . . . . . . . 30178 1 73 1 7.646 . . . . . . . . . . . . . 30178 1 73 2 8.525 . . . . . . . . . . . . . 30178 1 74 1 4.183 . . . . . . . . . . . . . 30178 1 74 2 8.526 . . . . . . . . . . . . . 30178 1 75 1 8.031 . . . . . . . . . . . . . 30178 1 75 2 8.526 . . . . . . . . . . . . . 30178 1 76 1 4.255 . . . . . . . . . . . . . 30178 1 76 2 8.526 . . . . . . . . . . . . . 30178 1 77 1 2.248 . . . . . . . . . . . . . 30178 1 77 2 8.526 . . . . . . . . . . . . . 30178 1 78 1 2.447 . . . . . . . . . . . . . 30178 1 78 2 8.526 . . . . . . . . . . . . . 30178 1 79 1 3.787 . . . . . . . . . . . . . 30178 1 79 2 8.526 . . . . . . . . . . . . . 30178 1 80 1 7.952 . . . . . . . . . . . . . 30178 1 80 2 8.526 . . . . . . . . . . . . . 30178 1 81 1 2.247 . . . . . . . . . . . . . 30178 1 81 2 4.178 . . . . . . . . . . . . . 30178 1 82 1 1.72 . . . . . . . . . . . . . 30178 1 82 2 4.173 . . . . . . . . . . . . . 30178 1 83 1 3.197 . . . . . . . . . . . . . 30178 1 83 2 4.173 . . . . . . . . . . . . . 30178 1 84 1 3.293 . . . . . . . . . . . . . 30178 1 84 2 4.174 . . . . . . . . . . . . . 30178 1 85 1 4.008 . . . . . . . . . . . . . 30178 1 85 2 7.952 . . . . . . . . . . . . . 30178 1 86 1 4.077 . . . . . . . . . . . . . 30178 1 86 2 7.951 . . . . . . . . . . . . . 30178 1 87 1 4.255 . . . . . . . . . . . . . 30178 1 87 2 7.951 . . . . . . . . . . . . . 30178 1 88 1 2.247 . . . . . . . . . . . . . 30178 1 88 2 7.951 . . . . . . . . . . . . . 30178 1 89 1 2.449 . . . . . . . . . . . . . 30178 1 89 2 7.951 . . . . . . . . . . . . . 30178 1 90 1 8.526 . . . . . . . . . . . . . 30178 1 90 2 7.951 . . . . . . . . . . . . . 30178 1 91 1 4.175 . . . . . . . . . . . . . 30178 1 91 2 7.95 . . . . . . . . . . . . . 30178 1 92 1 1.72 . . . . . . . . . . . . . 30178 1 92 2 7.951 . . . . . . . . . . . . . 30178 1 93 1 8.307 . . . . . . . . . . . . . 30178 1 93 2 7.951 . . . . . . . . . . . . . 30178 1 94 1 8.17 . . . . . . . . . . . . . 30178 1 94 2 7.949 . . . . . . . . . . . . . 30178 1 95 1 4.076 . . . . . . . . . . . . . 30178 1 95 2 8.307 . . . . . . . . . . . . . 30178 1 96 1 8.523 . . . . . . . . . . . . . 30178 1 96 2 8.306 . . . . . . . . . . . . . 30178 1 97 1 4.182 . . . . . . . . . . . . . 30178 1 97 2 8.306 . . . . . . . . . . . . . 30178 1 98 1 7.951 . . . . . . . . . . . . . 30178 1 98 2 8.307 . . . . . . . . . . . . . 30178 1 99 1 4.266 . . . . . . . . . . . . . 30178 1 99 2 8.307 . . . . . . . . . . . . . 30178 1 100 1 8.175 . . . . . . . . . . . . . 30178 1 100 2 8.307 . . . . . . . . . . . . . 30178 1 101 1 7.86 . . . . . . . . . . . . . 30178 1 101 2 8.308 . . . . . . . . . . . . . 30178 1 102 1 4.185 . . . . . . . . . . . . . 30178 1 102 2 8.172 . . . . . . . . . . . . . 30178 1 103 1 4.259 . . . . . . . . . . . . . 30178 1 103 2 8.172 . . . . . . . . . . . . . 30178 1 104 1 7.947 . . . . . . . . . . . . . 30178 1 104 2 8.171 . . . . . . . . . . . . . 30178 1 105 1 8.305 . . . . . . . . . . . . . 30178 1 105 2 8.171 . . . . . . . . . . . . . 30178 1 106 1 4.645 . . . . . . . . . . . . . 30178 1 106 2 8.172 . . . . . . . . . . . . . 30178 1 107 1 2.154 . . . . . . . . . . . . . 30178 1 107 2 8.172 . . . . . . . . . . . . . 30178 1 108 1 2.215 . . . . . . . . . . . . . 30178 1 108 2 8.172 . . . . . . . . . . . . . 30178 1 109 1 3.721 . . . . . . . . . . . . . 30178 1 109 2 8.173 . . . . . . . . . . . . . 30178 1 110 1 7.865 . . . . . . . . . . . . . 30178 1 110 2 8.171 . . . . . . . . . . . . . 30178 1 111 1 3.72 . . . . . . . . . . . . . 30178 1 111 2 4.378 . . . . . . . . . . . . . 30178 1 112 1 3.199 . . . . . . . . . . . . . 30178 1 112 2 4.386 . . . . . . . . . . . . . 30178 1 113 1 3.294 . . . . . . . . . . . . . 30178 1 113 2 4.381 . . . . . . . . . . . . . 30178 1 114 1 2.171 . . . . . . . . . . . . . 30178 1 114 2 4.377 . . . . . . . . . . . . . 30178 1 115 1 2.498 . . . . . . . . . . . . . 30178 1 115 2 4.377 . . . . . . . . . . . . . 30178 1 116 1 4.253 . . . . . . . . . . . . . 30178 1 116 2 8.224 . . . . . . . . . . . . . 30178 1 117 1 4.178 . . . . . . . . . . . . . 30178 1 117 2 8.225 . . . . . . . . . . . . . 30178 1 118 1 4.644 . . . . . . . . . . . . . 30178 1 118 2 8.224 . . . . . . . . . . . . . 30178 1 119 1 2.153 . . . . . . . . . . . . . 30178 1 119 2 8.224 . . . . . . . . . . . . . 30178 1 120 1 2.213 . . . . . . . . . . . . . 30178 1 120 2 8.225 . . . . . . . . . . . . . 30178 1 121 1 3.721 . . . . . . . . . . . . . 30178 1 121 2 8.224 . . . . . . . . . . . . . 30178 1 122 1 4.382 . . . . . . . . . . . . . 30178 1 122 2 8.223 . . . . . . . . . . . . . 30178 1 123 1 3.197 . . . . . . . . . . . . . 30178 1 123 2 8.224 . . . . . . . . . . . . . 30178 1 124 1 3.294 . . . . . . . . . . . . . 30178 1 124 2 8.224 . . . . . . . . . . . . . 30178 1 125 1 7.863 . . . . . . . . . . . . . 30178 1 125 2 8.224 . . . . . . . . . . . . . 30178 1 126 1 4.174 . . . . . . . . . . . . . 30178 1 126 2 7.862 . . . . . . . . . . . . . 30178 1 127 1 4.266 . . . . . . . . . . . . . 30178 1 127 2 7.863 . . . . . . . . . . . . . 30178 1 128 1 4.381 . . . . . . . . . . . . . 30178 1 128 2 7.863 . . . . . . . . . . . . . 30178 1 129 1 3.197 . . . . . . . . . . . . . 30178 1 129 2 7.863 . . . . . . . . . . . . . 30178 1 130 1 3.294 . . . . . . . . . . . . . 30178 1 130 2 7.863 . . . . . . . . . . . . . 30178 1 131 1 8.223 . . . . . . . . . . . . . 30178 1 131 2 7.863 . . . . . . . . . . . . . 30178 1 132 1 3.953 . . . . . . . . . . . . . 30178 1 132 2 7.862 . . . . . . . . . . . . . 30178 1 133 1 1.689 . . . . . . . . . . . . . 30178 1 133 2 3.897 . . . . . . . . . . . . . 30178 1 134 1 4.263 . . . . . . . . . . . . . 30178 1 134 2 7.92 . . . . . . . . . . . . . 30178 1 135 1 4.644 . . . . . . . . . . . . . 30178 1 135 2 7.919 . . . . . . . . . . . . . 30178 1 136 1 3.721 . . . . . . . . . . . . . 30178 1 136 2 7.915 . . . . . . . . . . . . . 30178 1 137 1 8.221 . . . . . . . . . . . . . 30178 1 137 2 7.917 . . . . . . . . . . . . . 30178 1 138 1 3.9 . . . . . . . . . . . . . 30178 1 138 2 7.919 . . . . . . . . . . . . . 30178 1 139 1 1.694 . . . . . . . . . . . . . 30178 1 139 2 7.919 . . . . . . . . . . . . . 30178 1 140 1 8.353 . . . . . . . . . . . . . 30178 1 140 2 7.916 . . . . . . . . . . . . . 30178 1 141 1 2.172 . . . . . . . . . . . . . 30178 1 141 2 3.992 . . . . . . . . . . . . . 30178 1 142 1 2.495 . . . . . . . . . . . . . 30178 1 142 2 3.994 . . . . . . . . . . . . . 30178 1 143 1 3.718 . . . . . . . . . . . . . 30178 1 143 2 3.999 . . . . . . . . . . . . . 30178 1 144 1 2.658 . . . . . . . . . . . . . 30178 1 144 2 3.99 . . . . . . . . . . . . . 30178 1 145 1 2.17 . . . . . . . . . . . . . 30178 1 145 2 2.501 . . . . . . . . . . . . . 30178 1 146 1 2.162 . . . . . . . . . . . . . 30178 1 146 2 3.72 . . . . . . . . . . . . . 30178 1 147 1 2.498 . . . . . . . . . . . . . 30178 1 147 2 3.721 . . . . . . . . . . . . . 30178 1 148 1 4.644 . . . . . . . . . . . . . 30178 1 148 2 8.353 . . . . . . . . . . . . . 30178 1 149 1 4.382 . . . . . . . . . . . . . 30178 1 149 2 8.353 . . . . . . . . . . . . . 30178 1 150 1 3.899 . . . . . . . . . . . . . 30178 1 150 2 8.353 . . . . . . . . . . . . . 30178 1 151 1 7.913 . . . . . . . . . . . . . 30178 1 151 2 8.353 . . . . . . . . . . . . . 30178 1 152 1 3.989 . . . . . . . . . . . . . 30178 1 152 2 8.353 . . . . . . . . . . . . . 30178 1 153 1 2.17 . . . . . . . . . . . . . 30178 1 153 2 8.353 . . . . . . . . . . . . . 30178 1 154 1 2.501 . . . . . . . . . . . . . 30178 1 154 2 8.353 . . . . . . . . . . . . . 30178 1 155 1 3.721 . . . . . . . . . . . . . 30178 1 155 2 8.353 . . . . . . . . . . . . . 30178 1 156 1 7.678 . . . . . . . . . . . . . 30178 1 156 2 8.352 . . . . . . . . . . . . . 30178 1 157 1 1.446 . . . . . . . . . . . . . 30178 1 157 2 3.952 . . . . . . . . . . . . . 30178 1 158 1 3.062 . . . . . . . . . . . . . 30178 1 158 2 3.956 . . . . . . . . . . . . . 30178 1 159 1 3.122 . . . . . . . . . . . . . 30178 1 159 2 3.957 . . . . . . . . . . . . . 30178 1 160 1 4.383 . . . . . . . . . . . . . 30178 1 160 2 7.909 . . . . . . . . . . . . . 30178 1 161 1 2.169 . . . . . . . . . . . . . 30178 1 161 2 7.906 . . . . . . . . . . . . . 30178 1 162 1 2.501 . . . . . . . . . . . . . 30178 1 162 2 7.906 . . . . . . . . . . . . . 30178 1 163 1 3.958 . . . . . . . . . . . . . 30178 1 163 2 7.906 . . . . . . . . . . . . . 30178 1 164 1 1.444 . . . . . . . . . . . . . 30178 1 164 2 7.907 . . . . . . . . . . . . . 30178 1 165 1 7.676 . . . . . . . . . . . . . 30178 1 165 2 7.906 . . . . . . . . . . . . . 30178 1 166 1 3.898 . . . . . . . . . . . . . 30178 1 166 2 7.674 . . . . . . . . . . . . . 30178 1 167 1 8.35 . . . . . . . . . . . . . 30178 1 167 2 7.674 . . . . . . . . . . . . . 30178 1 168 1 3.961 . . . . . . . . . . . . . 30178 1 168 2 7.674 . . . . . . . . . . . . . 30178 1 169 1 7.906 . . . . . . . . . . . . . 30178 1 169 2 7.675 . . . . . . . . . . . . . 30178 1 170 1 4.158 . . . . . . . . . . . . . 30178 1 170 2 7.674 . . . . . . . . . . . . . 30178 1 171 1 2.66 . . . . . . . . . . . . . 30178 1 171 2 7.612 . . . . . . . . . . . . . 30178 1 172 1 6.828 . . . . . . . . . . . . . 30178 1 172 2 7.612 . . . . . . . . . . . . . 30178 1 173 1 7.611 . . . . . . . . . . . . . 30178 1 173 2 6.828 . . . . . . . . . . . . . 30178 1 174 1 3.983 . . . . . . . . . . . . . 30178 1 174 2 7.71 . . . . . . . . . . . . . 30178 1 175 1 4.157 . . . . . . . . . . . . . 30178 1 175 2 7.71 . . . . . . . . . . . . . 30178 1 176 1 4.632 . . . . . . . . . . . . . 30178 1 176 2 7.711 . . . . . . . . . . . . . 30178 1 177 1 2.659 . . . . . . . . . . . . . 30178 1 177 2 7.71 . . . . . . . . . . . . . 30178 1 178 1 2.755 . . . . . . . . . . . . . 30178 1 178 2 7.71 . . . . . . . . . . . . . 30178 1 179 1 3.061 . . . . . . . . . . . . . 30178 1 179 2 4.44 . . . . . . . . . . . . . 30178 1 180 1 3.964 . . . . . . . . . . . . . 30178 1 180 2 7.755 . . . . . . . . . . . . . 30178 1 181 1 4.158 . . . . . . . . . . . . . 30178 1 181 2 7.755 . . . . . . . . . . . . . 30178 1 182 1 4.631 . . . . . . . . . . . . . 30178 1 182 2 7.756 . . . . . . . . . . . . . 30178 1 183 1 2.66 . . . . . . . . . . . . . 30178 1 183 2 7.755 . . . . . . . . . . . . . 30178 1 184 1 2.757 . . . . . . . . . . . . . 30178 1 184 2 7.755 . . . . . . . . . . . . . 30178 1 185 1 4.444 . . . . . . . . . . . . . 30178 1 185 2 7.759 . . . . . . . . . . . . . 30178 1 186 1 3.061 . . . . . . . . . . . . . 30178 1 186 2 7.756 . . . . . . . . . . . . . 30178 1 187 1 3.12 . . . . . . . . . . . . . 30178 1 187 2 7.756 . . . . . . . . . . . . . 30178 1 188 1 7.39 . . . . . . . . . . . . . 30178 1 188 2 7.756 . . . . . . . . . . . . . 30178 1 189 1 4.443 . . . . . . . . . . . . . 30178 1 189 2 7.388 . . . . . . . . . . . . . 30178 1 190 1 7.756 . . . . . . . . . . . . . 30178 1 190 2 7.388 . . . . . . . . . . . . . 30178 1 191 1 7.06 . . . . . . . . . . . . . 30178 1 191 2 7.388 . . . . . . . . . . . . . 30178 1 192 1 7.387 . . . . . . . . . . . . . 30178 1 192 2 7.061 . . . . . . . . . . . . . 30178 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 19 1 . . . 1.891 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 19 2 . . . 4.476 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 20 1 . . . 2.21 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 20 2 . . . 4.471 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 21 1 . . . 1.891 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 21 2 . . . 2.211 . . . . . . . . . . . . . . . HB2 . . 1 . . 30178 1 22 1 . . . 1.549 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 22 2 . . . 2.214 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 23 1 . . . 1.891 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 23 2 . . . 3.549 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 24 1 . . . 2.216 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 24 2 . . . 3.549 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 25 1 . . . 4.014 . . . . . . . . . . . . . . . Glu2 . . 1 . . 30178 1 25 2 . . . 9.172 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 26 1 . . . 4.475 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 26 2 . . . 9.17 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 27 1 . . . 3.548 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 27 2 . . . 9.171 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 28 1 . . . 7.981 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 28 2 . . . 9.172 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 29 1 . . . 3.548 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 29 2 . . . 4.002 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 30 1 . . . 2.096 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 30 2 . . . 4.01 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 31 1 . . . 2.488 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 31 2 . . . 4.012 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 32 1 . . . 3.219 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 32 2 . . . 4.01 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 33 1 . . . 1.921 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 33 2 . . . 4.01 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 34 1 . . . 2.053 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 34 2 . . . 2.489 . . . . . . . . . . . . . . . HB2 . . 1 . . 30178 1 35 1 . . . 2.053 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 35 2 . . . 3.222 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 36 1 . . . 4.474 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 36 2 . . . 7.981 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 37 1 . . . 1.892 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 37 2 . . . 7.981 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 38 1 . . . 2.211 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 38 2 . . . 7.981 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 39 1 . . . 3.549 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 39 2 . . . 7.982 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 40 1 . . . 4.01 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 40 2 . . . 7.981 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 41 1 . . . 2.052 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 41 2 . . . 7.981 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 42 1 . . . 2.497 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 42 2 . . . 7.981 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 43 1 . . . 3.221 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 43 2 . . . 7.982 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 44 1 . . . 7.646 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 44 2 . . . 7.981 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 45 1 . . . 1.547 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 45 2 . . . 4.075 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 46 1 . . . 1.552 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 46 2 . . . 1.925 . . . . . . . . . . . . . . . HB2 . . 1 . . 30178 1 47 1 . . . 4.009 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 47 2 . . . 7.647 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 48 1 . . . 2.052 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 48 2 . . . 7.646 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 49 1 . . . 2.497 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 49 2 . . . 7.647 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 50 1 . . . 7.984 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 50 2 . . . 7.647 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 51 1 . . . 4.076 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 51 2 . . . 7.646 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 52 1 . . . 1.548 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 52 2 . . . 7.647 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 53 1 . . . 1.922 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 53 2 . . . 7.647 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 54 1 . . . 1.839 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 54 2 . . . 7.647 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 55 1 . . . 8.027 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 55 2 . . . 7.647 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 56 1 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 56 2 . . . 7.646 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 57 1 . . . 4.475 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 57 2 . . . 8.031 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 58 1 . . . 4.01 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 58 2 . . . 8.03 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 59 1 . . . 4.076 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 59 2 . . . 8.03 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 60 1 . . . 1.922 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 60 2 . . . 8.031 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 61 1 . . . 7.646 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 61 2 . . . 8.03 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 62 1 . . . 4.185 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 62 2 . . . 8.03 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 63 1 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 63 2 . . . 8.031 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 64 1 . . . 8.307 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 64 2 . . . 8.028 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 65 1 . . . 2.445 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 65 2 . . . 4.246 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 66 1 . . . 3.788 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 66 2 . . . 4.253 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 67 1 . . . 2.248 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 67 2 . . . 2.447 . . . . . . . . . . . . . . . HB2 . . 1 . . 30178 1 68 1 . . . 3.549 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 68 2 . . . 3.785 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 69 1 . . . 2.243 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 69 2 . . . 3.786 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 70 1 . . . 2.448 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 70 2 . . . 3.786 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 71 1 . . . 4.475 . . . . . . . . . . . . . . . Gla3 . . 1 . . 30178 1 71 2 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 72 1 . . . 4.01 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 72 2 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 73 1 . . . 7.646 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 73 2 . . . 8.525 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 74 1 . . . 4.183 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 74 2 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 75 1 . . . 8.031 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 75 2 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 76 1 . . . 4.255 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 76 2 . . . 8.526 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 77 1 . . . 2.248 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 77 2 . . . 8.526 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 78 1 . . . 2.447 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 78 2 . . . 8.526 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 79 1 . . . 3.787 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 79 2 . . . 8.526 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 80 1 . . . 7.952 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 80 2 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 81 1 . . . 2.247 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 81 2 . . . 4.178 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 82 1 . . . 1.72 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 82 2 . . . 4.173 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 83 1 . . . 3.197 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 83 2 . . . 4.173 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 84 1 . . . 3.293 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 84 2 . . . 4.174 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 85 1 . . . 4.008 . . . . . . . . . . . . . . . Gla4 . . 1 . . 30178 1 85 2 . . . 7.952 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 86 1 . . . 4.077 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 86 2 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 87 1 . . . 4.255 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 87 2 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 88 1 . . . 2.247 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 88 2 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 89 1 . . . 2.449 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 89 2 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 90 1 . . . 8.526 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 90 2 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 91 1 . . . 4.175 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 91 2 . . . 7.95 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 92 1 . . . 1.72 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 92 2 . . . 7.951 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 93 1 . . . 8.307 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 93 2 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 94 1 . . . 8.17 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 94 2 . . . 7.949 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 95 1 . . . 4.076 . . . . . . . . . . . . . . . Leu5 . . 1 . . 30178 1 95 2 . . . 8.307 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 96 1 . . . 8.523 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 96 2 . . . 8.306 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 97 1 . . . 4.182 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 97 2 . . . 8.306 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 98 1 . . . 7.951 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 98 2 . . . 8.307 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 99 1 . . . 4.266 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 99 2 . . . 8.307 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 100 1 . . . 8.175 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 100 2 . . . 8.307 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 101 1 . . . 7.86 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 101 2 . . . 8.308 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 102 1 . . . 4.185 . . . . . . . . . . . . . . . Ala6 . . 1 . . 30178 1 102 2 . . . 8.172 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 103 1 . . . 4.259 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 103 2 . . . 8.172 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 104 1 . . . 7.947 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 104 2 . . . 8.171 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 105 1 . . . 8.305 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 105 2 . . . 8.171 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 106 1 . . . 4.645 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 106 2 . . . 8.172 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 107 1 . . . 2.154 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 107 2 . . . 8.172 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 108 1 . . . 2.215 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 108 2 . . . 8.172 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 109 1 . . . 3.721 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 109 2 . . . 8.173 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 110 1 . . . 7.865 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 110 2 . . . 8.171 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 111 1 . . . 3.72 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 111 2 . . . 4.378 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 112 1 . . . 3.199 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 112 2 . . . 4.386 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 113 1 . . . 3.294 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 113 2 . . . 4.381 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 114 1 . . . 2.171 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 114 2 . . . 4.377 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 115 1 . . . 2.498 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 115 2 . . . 4.377 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 116 1 . . . 4.253 . . . . . . . . . . . . . . . Gla7 . . 1 . . 30178 1 116 2 . . . 8.224 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 117 1 . . . 4.178 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 117 2 . . . 8.225 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 118 1 . . . 4.644 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 118 2 . . . 8.224 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 119 1 . . . 2.153 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 119 2 . . . 8.224 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 120 1 . . . 2.213 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 120 2 . . . 8.225 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 121 1 . . . 3.721 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 121 2 . . . 8.224 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 122 1 . . . 4.382 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 122 2 . . . 8.223 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 123 1 . . . 3.197 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 123 2 . . . 8.224 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 124 1 . . . 3.294 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 124 2 . . . 8.224 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 125 1 . . . 7.863 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 125 2 . . . 8.224 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 126 1 . . . 4.174 . . . . . . . . . . . . . . . Lys8 . . 1 . . 30178 1 126 2 . . . 7.862 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 127 1 . . . 4.266 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 127 2 . . . 7.863 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 128 1 . . . 4.381 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 128 2 . . . 7.863 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 129 1 . . . 3.197 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 129 2 . . . 7.863 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 130 1 . . . 3.294 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 130 2 . . . 7.863 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 131 1 . . . 8.223 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 131 2 . . . 7.863 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 132 1 . . . 3.953 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 132 2 . . . 7.862 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 133 1 . . . 1.689 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 133 2 . . . 3.897 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 134 1 . . . 4.263 . . . . . . . . . . . . . . . Ala9 . . 1 . . 30178 1 134 2 . . . 7.92 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 135 1 . . . 4.644 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 135 2 . . . 7.919 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 136 1 . . . 3.721 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 136 2 . . . 7.915 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 137 1 . . . 8.221 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 137 2 . . . 7.917 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 138 1 . . . 3.9 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 138 2 . . . 7.919 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 139 1 . . . 1.694 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 139 2 . . . 7.919 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 140 1 . . . 8.353 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 140 2 . . . 7.916 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 141 1 . . . 2.172 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 141 2 . . . 3.992 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 142 1 . . . 2.495 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 142 2 . . . 3.994 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 143 1 . . . 3.718 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 143 2 . . . 3.999 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 144 1 . . . 2.658 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 144 2 . . . 3.99 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 145 1 . . . 2.17 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 145 2 . . . 2.501 . . . . . . . . . . . . . . . HB2 . . 1 . . 30178 1 146 1 . . . 2.162 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 146 2 . . . 3.72 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 147 1 . . . 2.498 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 147 2 . . . 3.721 . . . . . . . . . . . . . . . HG . . 1 . . 30178 1 148 1 . . . 4.644 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 148 2 . . . 8.353 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 149 1 . . . 4.382 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 149 2 . . . 8.353 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 150 1 . . . 3.899 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 150 2 . . . 8.353 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 151 1 . . . 7.913 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 151 2 . . . 8.353 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 152 1 . . . 3.989 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 152 2 . . . 8.353 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 153 1 . . . 2.17 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 153 2 . . . 8.353 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 154 1 . . . 2.501 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 154 2 . . . 8.353 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 155 1 . . . 3.721 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 155 2 . . . 8.353 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 156 1 . . . 7.678 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 156 2 . . . 8.352 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 157 1 . . . 1.446 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 157 2 . . . 3.952 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 158 1 . . . 3.062 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 158 2 . . . 3.956 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 159 1 . . . 3.122 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 159 2 . . . 3.957 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 160 1 . . . 4.383 . . . . . . . . . . . . . . . Phe1 . . 1 . . 30178 1 160 2 . . . 7.909 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 161 1 . . . 2.169 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 161 2 . . . 7.906 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 162 1 . . . 2.501 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 162 2 . . . 7.906 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 163 1 . . . 3.958 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 163 2 . . . 7.906 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 164 1 . . . 1.444 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 164 2 . . . 7.907 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 165 1 . . . 7.676 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 165 2 . . . 7.906 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 166 1 . . . 3.898 . . . . . . . . . . . . . . . Arg1 . . 1 . . 30178 1 166 2 . . . 7.674 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 167 1 . . . 8.35 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 167 2 . . . 7.674 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 168 1 . . . 3.961 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 168 2 . . . 7.674 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 169 1 . . . 7.906 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 169 2 . . . 7.675 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 170 1 . . . 4.158 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 170 2 . . . 7.674 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 171 1 . . . 2.66 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 171 2 . . . 7.612 . . . . . . . . . . . . . . . HE2 . . 1 . . 30178 1 172 1 . . . 6.828 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 172 2 . . . 7.612 . . . . . . . . . . . . . . . HE2 . . 1 . . 30178 1 173 1 . . . 7.611 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 173 2 . . . 6.828 . . . . . . . . . . . . . . . HE2 . . 1 . . 30178 1 174 1 . . . 3.983 . . . . . . . . . . . . . . . Gla1 . . 1 . . 30178 1 174 2 . . . 7.71 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 175 1 . . . 4.157 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 175 2 . . . 7.71 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 176 1 . . . 4.632 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 176 2 . . . 7.711 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 177 1 . . . 2.659 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 177 2 . . . 7.71 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 178 1 . . . 2.755 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 178 2 . . . 7.71 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 179 1 . . . 3.061 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 179 2 . . . 4.44 . . . . . . . . . . . . . . . HA . . 1 . . 30178 1 180 1 . . . 3.964 . . . . . . . . . . . . . . . Leu1 . . 1 . . 30178 1 180 2 . . . 7.755 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 181 1 . . . 4.158 . . . . . . . . . . . . . . . Ala1 . . 1 . . 30178 1 181 2 . . . 7.755 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 182 1 . . . 4.631 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 182 2 . . . 7.756 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 183 1 . . . 2.66 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 183 2 . . . 7.755 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 184 1 . . . 2.757 . . . . . . . . . . . . . . . Asn1 . . 1 . . 30178 1 184 2 . . . 7.755 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 185 1 . . . 4.444 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 185 2 . . . 7.759 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 186 1 . . . 3.061 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 186 2 . . . 7.756 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 187 1 . . . 3.12 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 187 2 . . . 7.756 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 188 1 . . . 7.39 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 188 2 . . . 7.756 . . . . . . . . . . . . . . . HN . . 1 . . 30178 1 189 1 . . . 4.443 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 189 2 . . . 7.388 . . . . . . . . . . . . . . . HT1 . . 1 . . 30178 1 190 1 . . . 7.756 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 190 2 . . . 7.388 . . . . . . . . . . . . . . . HT1 . . 1 . . 30178 1 191 1 . . . 7.06 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 191 2 . . . 7.388 . . . . . . . . . . . . . . . HT1 . . 1 . . 30178 1 192 1 . . . 7.387 . . . . . . . . . . . . . . . Tyr1 . . 1 . . 30178 1 192 2 . . . 7.061 . . . . . . . . . . . . . . . HT2 . . 1 . . 30178 1 stop_ save_