data_c16510_2ke1 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c16510_2ke1 _Entry.Title ; The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation ; _Entry.Version_type new _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.0.9.13 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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.Entry_ID 1 Francesca Chignola . . . c16510_2ke1 2 Massimiliano Gaetani . . . c16510_2ke1 3 Ana Rebane . . . c16510_2ke1 4 Tonis Org . . . c16510_2ke1 5 Luca Mollica . . . c16510_2ke1 6 Chiara Zucchelli . . . c16510_2ke1 7 Andrea Spitaleri . . . c16510_2ke1 8 Valeria Mannella . . . c16510_2ke1 9 Part Peterson . . . c16510_2ke1 10 Giovanna Musco . . . c16510_2ke1 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . c16510_2ke1 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AIRE . c16510_2ke1 'PHD finger' . c16510_2ke1 'Histone H3' . c16510_2ke1 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c16510_2ke1 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 415 c16510_2ke1 '13C chemical shifts' 251 c16510_2ke1 '15N chemical shifts' 64 c16510_2ke1 stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 2010-05-28 2009-09-23 update BMRB 'edit entity/assembly name' c16510_2ke1 1 2009-10-06 2009-09-23 original author 'original release' c16510_2ke1 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1XWH 'free AIRE-PHD1' c16510_2ke1 BMRB 6374 'free AIRE-PHD1' c16510_2ke1 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID c16510_2ke1 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19293276 _Citation.Full_citation . _Citation.Title 'The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2951 _Citation.Page_last 2961 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Francesca Chignola . . . c16510_2ke1 1 2 Massimiliano Gaetani . . . c16510_2ke1 1 3 Ana Rebane . . . c16510_2ke1 1 4 Tonis Org . . . c16510_2ke1 1 5 Luca Mollica . . . c16510_2ke1 1 6 Chiara Zucchelli . . . c16510_2ke1 1 7 Andrea Spitaleri . . . c16510_2ke1 1 8 Valeria Mannella . . . c16510_2ke1 1 9 Part Peterson . . . c16510_2ke1 1 10 Giovanna Musco . . . c16510_2ke1 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c16510_2ke1 _Assembly.ID 1 _Assembly.Name 'first PHD finger/non-modified histone H3 tail complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 'first PHD finger' 1 $entity_1 A . yes native no no . . . c16510_2ke1 1 2 'histone H3 tail' 2 $entity_2 B . no native no no . . . c16510_2ke1 1 3 'ZINC ION_1' 3 $ZN C . no native no no . . . c16510_2ke1 1 4 'ZINC ION_2' 3 $ZN D . no native no no . . . c16510_2ke1 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 11 11 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 3 disulfide single . 1 . 1 CYS 23 23 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 4 disulfide single . 1 . 1 CYS 26 26 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 5 disulfide single . 1 . 1 CYS 34 34 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 6 disulfide single . 1 . 1 CYS 49 49 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 7 disulfide single . 1 . 1 CYS 52 52 SG . 3 . 3 ZN . . ZN . . . . . . . . . . c16510_2ke1 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c16510_2ke1 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'first PHD finger' _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 ; GAMAQKNEDECAVCRDGGEL ICCDGCPRAFHLACLSPPLR EIPSGTWRCSSCLQATVQEV QPRAEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'First PHD domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7145.130 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2011-03-02 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 6374 . AIRE1-PHD1 . . . . . 100.00 66 100.00 100.00 1.81e-30 . . . . c16510_2ke1 1 no PDB 1XWH . 'Nmr Structure Of The First Phd Finger Of Autoimmune Regulator Protein (Aire1): Insights Into Apeced' . . . . . 100.00 66 100.00 100.00 1.81e-30 . . . . c16510_2ke1 1 no PDB 2KE1 . 'Molecular Basis Of Non-Modified Histone H3 Tail Recognition By The First Phd Finger Of Autoimmune Regulator' . . . . . 100.00 66 100.00 100.00 1.81e-30 . . . . c16510_2ke1 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . c16510_2ke1 1 2 . ALA . c16510_2ke1 1 3 . MET . c16510_2ke1 1 4 . ALA . c16510_2ke1 1 5 . GLN . c16510_2ke1 1 6 . LYS . c16510_2ke1 1 7 . ASN . c16510_2ke1 1 8 . GLU . c16510_2ke1 1 9 . ASP . c16510_2ke1 1 10 . GLU . c16510_2ke1 1 11 . CYS . c16510_2ke1 1 12 . ALA . c16510_2ke1 1 13 . VAL . c16510_2ke1 1 14 . CYS . c16510_2ke1 1 15 . ARG . c16510_2ke1 1 16 . ASP . c16510_2ke1 1 17 . GLY . c16510_2ke1 1 18 . GLY . c16510_2ke1 1 19 . GLU . c16510_2ke1 1 20 . LEU . c16510_2ke1 1 21 . ILE . c16510_2ke1 1 22 . CYS . c16510_2ke1 1 23 . CYS . c16510_2ke1 1 24 . ASP . c16510_2ke1 1 25 . GLY . c16510_2ke1 1 26 . CYS . c16510_2ke1 1 27 . PRO . c16510_2ke1 1 28 . ARG . c16510_2ke1 1 29 . ALA . c16510_2ke1 1 30 . PHE . c16510_2ke1 1 31 . HIS . c16510_2ke1 1 32 . LEU . c16510_2ke1 1 33 . ALA . c16510_2ke1 1 34 . CYS . c16510_2ke1 1 35 . LEU . c16510_2ke1 1 36 . SER . c16510_2ke1 1 37 . PRO . c16510_2ke1 1 38 . PRO . c16510_2ke1 1 39 . LEU . c16510_2ke1 1 40 . ARG . c16510_2ke1 1 41 . GLU . c16510_2ke1 1 42 . ILE . c16510_2ke1 1 43 . PRO . c16510_2ke1 1 44 . SER . c16510_2ke1 1 45 . GLY . c16510_2ke1 1 46 . THR . c16510_2ke1 1 47 . TRP . c16510_2ke1 1 48 . ARG . c16510_2ke1 1 49 . CYS . c16510_2ke1 1 50 . SER . c16510_2ke1 1 51 . SER . c16510_2ke1 1 52 . CYS . c16510_2ke1 1 53 . LEU . c16510_2ke1 1 54 . GLN . c16510_2ke1 1 55 . ALA . c16510_2ke1 1 56 . THR . c16510_2ke1 1 57 . VAL . c16510_2ke1 1 58 . GLN . c16510_2ke1 1 59 . GLU . c16510_2ke1 1 60 . VAL . c16510_2ke1 1 61 . GLN . c16510_2ke1 1 62 . PRO . c16510_2ke1 1 63 . ARG . c16510_2ke1 1 64 . ALA . c16510_2ke1 1 65 . GLU . c16510_2ke1 1 66 . GLU . c16510_2ke1 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 c16510_2ke1 1 . ALA 2 2 c16510_2ke1 1 . MET 3 3 c16510_2ke1 1 . ALA 4 4 c16510_2ke1 1 . GLN 5 5 c16510_2ke1 1 . LYS 6 6 c16510_2ke1 1 . ASN 7 7 c16510_2ke1 1 . GLU 8 8 c16510_2ke1 1 . ASP 9 9 c16510_2ke1 1 . GLU 10 10 c16510_2ke1 1 . CYS 11 11 c16510_2ke1 1 . ALA 12 12 c16510_2ke1 1 . VAL 13 13 c16510_2ke1 1 . CYS 14 14 c16510_2ke1 1 . ARG 15 15 c16510_2ke1 1 . ASP 16 16 c16510_2ke1 1 . GLY 17 17 c16510_2ke1 1 . GLY 18 18 c16510_2ke1 1 . GLU 19 19 c16510_2ke1 1 . LEU 20 20 c16510_2ke1 1 . ILE 21 21 c16510_2ke1 1 . CYS 22 22 c16510_2ke1 1 . CYS 23 23 c16510_2ke1 1 . ASP 24 24 c16510_2ke1 1 . GLY 25 25 c16510_2ke1 1 . CYS 26 26 c16510_2ke1 1 . PRO 27 27 c16510_2ke1 1 . ARG 28 28 c16510_2ke1 1 . ALA 29 29 c16510_2ke1 1 . PHE 30 30 c16510_2ke1 1 . HIS 31 31 c16510_2ke1 1 . LEU 32 32 c16510_2ke1 1 . ALA 33 33 c16510_2ke1 1 . CYS 34 34 c16510_2ke1 1 . LEU 35 35 c16510_2ke1 1 . SER 36 36 c16510_2ke1 1 . PRO 37 37 c16510_2ke1 1 . PRO 38 38 c16510_2ke1 1 . LEU 39 39 c16510_2ke1 1 . ARG 40 40 c16510_2ke1 1 . GLU 41 41 c16510_2ke1 1 . ILE 42 42 c16510_2ke1 1 . PRO 43 43 c16510_2ke1 1 . SER 44 44 c16510_2ke1 1 . GLY 45 45 c16510_2ke1 1 . THR 46 46 c16510_2ke1 1 . TRP 47 47 c16510_2ke1 1 . ARG 48 48 c16510_2ke1 1 . CYS 49 49 c16510_2ke1 1 . SER 50 50 c16510_2ke1 1 . SER 51 51 c16510_2ke1 1 . CYS 52 52 c16510_2ke1 1 . LEU 53 53 c16510_2ke1 1 . GLN 54 54 c16510_2ke1 1 . ALA 55 55 c16510_2ke1 1 . THR 56 56 c16510_2ke1 1 . VAL 57 57 c16510_2ke1 1 . GLN 58 58 c16510_2ke1 1 . GLU 59 59 c16510_2ke1 1 . VAL 60 60 c16510_2ke1 1 . GLN 61 61 c16510_2ke1 1 . PRO 62 62 c16510_2ke1 1 . ARG 63 63 c16510_2ke1 1 . ALA 64 64 c16510_2ke1 1 . GLU 65 65 c16510_2ke1 1 . GLU 66 66 c16510_2ke1 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID c16510_2ke1 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'histone H3 tail' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ARTKQTARKS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1150.343 _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 69 ALA . c16510_2ke1 2 2 70 ARG . c16510_2ke1 2 3 71 THR . c16510_2ke1 2 4 72 LYS . c16510_2ke1 2 5 73 GLN . c16510_2ke1 2 6 74 THR . c16510_2ke1 2 7 75 ALA . c16510_2ke1 2 8 76 ARG . c16510_2ke1 2 9 77 LYS . c16510_2ke1 2 10 78 SER . c16510_2ke1 2 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 . ALA 1 1 c16510_2ke1 2 . ARG 2 2 c16510_2ke1 2 . THR 3 3 c16510_2ke1 2 . LYS 4 4 c16510_2ke1 2 . GLN 5 5 c16510_2ke1 2 . THR 6 6 c16510_2ke1 2 . ALA 7 7 c16510_2ke1 2 . ARG 8 8 c16510_2ke1 2 . LYS 9 9 c16510_2ke1 2 . SER 10 10 c16510_2ke1 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID c16510_2ke1 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . ZN . c16510_2ke1 3 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 c16510_2ke1 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . c16510_2ke1 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c16510_2ke1 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 c16510_2ke1 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . 'modified pET24d' . . . . . . c16510_2ke1 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c16510_2ke1 1 3 3 $ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c16510_2ke1 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID c16510_2ke1 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _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 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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 [Zn+2] SMILES ACDLabs 10.04 c16510_2ke1 ZN InChI=1/Zn/q+2 InChI InChI 1.02b c16510_2ke1 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b c16510_2ke1 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 c16510_2ke1 ZN [Zn++] SMILES CACTVS 3.341 c16510_2ke1 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c16510_2ke1 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 c16510_2ke1 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 c16510_2ke1 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c16510_2ke1 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . c16510_2ke1 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c16510_2ke1 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AIRE-PHD1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . . 0.1 0.5 mM . . . . c16510_2ke1 1 2 H3K4me0 'natural abundance' . . 2 $entity_2 . . . 0.3 1.5 mM . . . . c16510_2ke1 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . c16510_2ke1 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c16510_2ke1 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . c16510_2ke1 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . c16510_2ke1 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . c16510_2ke1 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID c16510_2ke1 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AIRE-PHD1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . c16510_2ke1 2 2 H3K4me0 'natural abundance' . . 2 $entity_2 . . 1.5 . . mM . . . . c16510_2ke1 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c16510_2ke1 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . c16510_2ke1 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . c16510_2ke1 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . c16510_2ke1 2 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 c16510_2ke1 _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 temperature 295 . K c16510_2ke1 1 pH 6.3 . pH c16510_2ke1 1 pressure 1 . atm c16510_2ke1 1 'ionic strength' 0.15 . M c16510_2ke1 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID c16510_2ke1 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . c16510_2ke1 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c16510_2ke1 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c16510_2ke1 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c16510_2ke1 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . c16510_2ke1 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 c16510_2ke1 _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.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.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 2 '3D 1H-13C NOESY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 3 '3D HNCA' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 4 '3D HNCACB' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 5 '3D HCCH-TOCSY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 6 '3D HNHA' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 7 '3D H(CCO)NH' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 8 '2D 1H-1H NOESY' no . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 9 '3D 1H-13C NOESY' no . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c16510_2ke1 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c16510_2ke1 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c16510_2ke1 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c16510_2ke1 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c16510_2ke1 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_aire-phd1_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode aire-phd1_chem_shift_list _Assigned_chem_shift_list.Entry_ID c16510_2ke1 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . c16510_2ke1 1 2 '3D 1H-13C NOESY' . . . c16510_2ke1 1 8 '2D 1H-1H NOESY' . . . c16510_2ke1 1 9 '3D 1H-13C NOESY' . . . c16510_2ke1 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ARIA . . c16510_2ke1 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.271 0.022 . 1 . . . 2 ALA HA . c16510_2ke1 1 2 . 1 1 2 2 ALA HB1 H 1 1.341 0.007 . 1 . . . 2 ALA HB1 . c16510_2ke1 1 3 . 1 1 2 2 ALA HB2 H 1 1.341 0.007 . 1 . . . 2 ALA HB2 . c16510_2ke1 1 4 . 1 1 2 2 ALA HB3 H 1 1.341 0.007 . 1 . . . 2 ALA HB3 . c16510_2ke1 1 5 . 1 1 2 2 ALA C C 13 177.708 0.000 . 1 . . . 2 ALA C . c16510_2ke1 1 6 . 1 1 2 2 ALA CA C 13 52.378 0.000 . 1 . . . 2 ALA CA . c16510_2ke1 1 7 . 1 1 2 2 ALA CB C 13 19.125 0.000 . 1 . . . 2 ALA CB . c16510_2ke1 1 8 . 1 1 3 3 MET H H 1 8.425 0.053 . 1 . . . 3 MET H . c16510_2ke1 1 9 . 1 1 3 3 MET HA H 1 4.405 0.009 . 1 . . . 3 MET HA . c16510_2ke1 1 10 . 1 1 3 3 MET HB2 H 1 2.008 0.020 . 2 . . . 3 MET HB2 . c16510_2ke1 1 11 . 1 1 3 3 MET HB3 H 1 2.003 0.017 . 2 . . . 3 MET HB3 . c16510_2ke1 1 12 . 1 1 3 3 MET HG2 H 1 2.583 0.010 . 2 . . . 3 MET HG2 . c16510_2ke1 1 13 . 1 1 3 3 MET HG3 H 1 2.534 0.000 . 2 . . . 3 MET HG3 . c16510_2ke1 1 14 . 1 1 3 3 MET C C 13 175.822 0.000 . 1 . . . 3 MET C . c16510_2ke1 1 15 . 1 1 3 3 MET CA C 13 55.473 0.090 . 1 . . . 3 MET CA . c16510_2ke1 1 16 . 1 1 3 3 MET CB C 13 32.848 0.840 . 1 . . . 3 MET CB . c16510_2ke1 1 17 . 1 1 3 3 MET CG C 13 32.399 0.000 . 1 . . . 3 MET CG . c16510_2ke1 1 18 . 1 1 3 3 MET N N 15 120.166 0.153 . 1 . . . 3 MET N . c16510_2ke1 1 19 . 1 1 4 4 ALA H H 1 8.326 0.002 . 1 . . . 4 ALA H . c16510_2ke1 1 20 . 1 1 4 4 ALA HA H 1 4.242 0.014 . 1 . . . 4 ALA HA . c16510_2ke1 1 21 . 1 1 4 4 ALA HB1 H 1 1.327 0.015 . 1 . . . 4 ALA HB1 . c16510_2ke1 1 22 . 1 1 4 4 ALA HB2 H 1 1.327 0.015 . 1 . . . 4 ALA HB2 . c16510_2ke1 1 23 . 1 1 4 4 ALA HB3 H 1 1.327 0.015 . 1 . . . 4 ALA HB3 . c16510_2ke1 1 24 . 1 1 4 4 ALA C C 13 177.322 0.000 . 1 . . . 4 ALA C . c16510_2ke1 1 25 . 1 1 4 4 ALA CA C 13 52.378 0.000 . 1 . . . 4 ALA CA . c16510_2ke1 1 26 . 1 1 4 4 ALA CB C 13 19.125 0.000 . 1 . . . 4 ALA CB . c16510_2ke1 1 27 . 1 1 4 4 ALA N N 15 125.892 0.093 . 1 . . . 4 ALA N . c16510_2ke1 1 28 . 1 1 5 5 GLN H H 1 8.222 0.017 . 1 . . . 5 GLN H . c16510_2ke1 1 29 . 1 1 5 5 GLN HA H 1 4.153 0.018 . 1 . . . 5 GLN HA . c16510_2ke1 1 30 . 1 1 5 5 GLN HB2 H 1 1.940 0.016 . 2 . . . 5 GLN HB2 . c16510_2ke1 1 31 . 1 1 5 5 GLN HB3 H 1 1.934 0.012 . 2 . . . 5 GLN HB3 . c16510_2ke1 1 32 . 1 1 5 5 GLN HE21 H 1 7.386 0.007 . 1 . . . 5 GLN HE21 . c16510_2ke1 1 33 . 1 1 5 5 GLN HE22 H 1 6.731 0.007 . 1 . . . 5 GLN HE22 . c16510_2ke1 1 34 . 1 1 5 5 GLN HG2 H 1 2.256 0.014 . 2 . . . 5 GLN HG2 . c16510_2ke1 1 35 . 1 1 5 5 GLN HG3 H 1 2.234 0.017 . 2 . . . 5 GLN HG3 . c16510_2ke1 1 36 . 1 1 5 5 GLN C C 13 175.177 0.000 . 1 . . . 5 GLN C . c16510_2ke1 1 37 . 1 1 5 5 GLN CA C 13 55.698 0.217 . 1 . . . 5 GLN CA . c16510_2ke1 1 38 . 1 1 5 5 GLN CB C 13 29.275 0.000 . 1 . . . 5 GLN CB . c16510_2ke1 1 39 . 1 1 5 5 GLN CG C 13 33.601 0.075 . 1 . . . 5 GLN CG . c16510_2ke1 1 40 . 1 1 5 5 GLN N N 15 120.230 0.087 . 1 . . . 5 GLN N . c16510_2ke1 1 41 . 1 1 5 5 GLN NE2 N 15 112.499 0.048 . 1 . . . 5 GLN NE2 . c16510_2ke1 1 42 . 1 1 6 6 LYS H H 1 8.259 0.022 . 1 . . . 6 LYS H . c16510_2ke1 1 43 . 1 1 6 6 LYS HA H 1 4.357 0.013 . 1 . . . 6 LYS HA . c16510_2ke1 1 44 . 1 1 6 6 LYS HB2 H 1 1.730 0.027 . 2 . . . 6 LYS HB2 . c16510_2ke1 1 45 . 1 1 6 6 LYS HB3 H 1 1.669 0.021 . 2 . . . 6 LYS HB3 . c16510_2ke1 1 46 . 1 1 6 6 LYS HD2 H 1 1.628 0.024 . 2 . . . 6 LYS HD2 . c16510_2ke1 1 47 . 1 1 6 6 LYS HD3 H 1 1.629 0.022 . 2 . . . 6 LYS HD3 . c16510_2ke1 1 48 . 1 1 6 6 LYS HE2 H 1 2.941 0.012 . 2 . . . 6 LYS HE2 . c16510_2ke1 1 49 . 1 1 6 6 LYS HE3 H 1 2.939 0.011 . 2 . . . 6 LYS HE3 . c16510_2ke1 1 50 . 1 1 6 6 LYS HG2 H 1 1.357 0.016 . 2 . . . 6 LYS HG2 . c16510_2ke1 1 51 . 1 1 6 6 LYS HG3 H 1 1.351 0.019 . 2 . . . 6 LYS HG3 . c16510_2ke1 1 52 . 1 1 6 6 LYS C C 13 175.907 0.000 . 1 . . . 6 LYS C . c16510_2ke1 1 53 . 1 1 6 6 LYS CA C 13 56.152 0.077 . 1 . . . 6 LYS CA . c16510_2ke1 1 54 . 1 1 6 6 LYS CB C 13 33.289 0.162 . 1 . . . 6 LYS CB . c16510_2ke1 1 55 . 1 1 6 6 LYS CD C 13 29.144 0.184 . 1 . . . 6 LYS CD . c16510_2ke1 1 56 . 1 1 6 6 LYS CE C 13 42.028 0.074 . 1 . . . 6 LYS CE . c16510_2ke1 1 57 . 1 1 6 6 LYS CG C 13 24.545 0.071 . 1 . . . 6 LYS CG . c16510_2ke1 1 58 . 1 1 6 6 LYS N N 15 123.638 0.076 . 1 . . . 6 LYS N . c16510_2ke1 1 59 . 1 1 7 7 ASN H H 1 8.190 0.005 . 1 . . . 7 ASN H . c16510_2ke1 1 60 . 1 1 7 7 ASN HA H 1 5.275 0.013 . 1 . . . 7 ASN HA . c16510_2ke1 1 61 . 1 1 7 7 ASN HB2 H 1 2.557 0.011 . 2 . . . 7 ASN HB2 . c16510_2ke1 1 62 . 1 1 7 7 ASN HB3 H 1 2.344 0.020 . 2 . . . 7 ASN HB3 . c16510_2ke1 1 63 . 1 1 7 7 ASN HD21 H 1 7.513 0.008 . 1 . . . 7 ASN HD21 . c16510_2ke1 1 64 . 1 1 7 7 ASN HD22 H 1 6.865 0.001 . 1 . . . 7 ASN HD22 . c16510_2ke1 1 65 . 1 1 7 7 ASN C C 13 175.377 0.000 . 1 . . . 7 ASN C . c16510_2ke1 1 66 . 1 1 7 7 ASN CA C 13 53.710 0.093 . 1 . . . 7 ASN CA . c16510_2ke1 1 67 . 1 1 7 7 ASN CB C 13 42.980 0.078 . 1 . . . 7 ASN CB . c16510_2ke1 1 68 . 1 1 7 7 ASN N N 15 118.641 0.132 . 1 . . . 7 ASN N . c16510_2ke1 1 69 . 1 1 7 7 ASN ND2 N 15 112.783 0.080 . 1 . . . 7 ASN ND2 . c16510_2ke1 1 70 . 1 1 8 8 GLU H H 1 9.042 0.009 . 1 . . . 8 GLU H . c16510_2ke1 1 71 . 1 1 8 8 GLU HA H 1 3.989 0.008 . 1 . . . 8 GLU HA . c16510_2ke1 1 72 . 1 1 8 8 GLU HB2 H 1 2.112 0.028 . 2 . . . 8 GLU HB2 . c16510_2ke1 1 73 . 1 1 8 8 GLU HB3 H 1 2.078 0.013 . 2 . . . 8 GLU HB3 . c16510_2ke1 1 74 . 1 1 8 8 GLU HG2 H 1 2.371 0.011 . 2 . . . 8 GLU HG2 . c16510_2ke1 1 75 . 1 1 8 8 GLU HG3 H 1 2.296 0.049 . 2 . . . 8 GLU HG3 . c16510_2ke1 1 76 . 1 1 8 8 GLU C C 13 175.587 0.000 . 1 . . . 8 GLU C . c16510_2ke1 1 77 . 1 1 8 8 GLU CA C 13 56.861 0.116 . 1 . . . 8 GLU CA . c16510_2ke1 1 78 . 1 1 8 8 GLU CB C 13 31.142 0.060 . 1 . . . 8 GLU CB . c16510_2ke1 1 79 . 1 1 8 8 GLU CG C 13 37.455 0.052 . 1 . . . 8 GLU CG . c16510_2ke1 1 80 . 1 1 8 8 GLU N N 15 119.788 0.063 . 1 . . . 8 GLU N . c16510_2ke1 1 81 . 1 1 9 9 ASP H H 1 8.461 0.008 . 1 . . . 9 ASP H . c16510_2ke1 1 82 . 1 1 9 9 ASP HA H 1 4.490 0.018 . 1 . . . 9 ASP HA . c16510_2ke1 1 83 . 1 1 9 9 ASP HB2 H 1 2.907 0.012 . 2 . . . 9 ASP HB2 . c16510_2ke1 1 84 . 1 1 9 9 ASP HB3 H 1 2.377 0.008 . 2 . . . 9 ASP HB3 . c16510_2ke1 1 85 . 1 1 9 9 ASP C C 13 174.190 0.000 . 1 . . . 9 ASP C . c16510_2ke1 1 86 . 1 1 9 9 ASP CA C 13 54.356 0.059 . 1 . . . 9 ASP CA . c16510_2ke1 1 87 . 1 1 9 9 ASP CB C 13 41.879 0.105 . 1 . . . 9 ASP CB . c16510_2ke1 1 88 . 1 1 9 9 ASP N N 15 116.364 0.090 . 1 . . . 9 ASP N . c16510_2ke1 1 89 . 1 1 10 10 GLU H H 1 6.969 0.012 . 1 . . . 10 GLU H . c16510_2ke1 1 90 . 1 1 10 10 GLU HA H 1 4.084 0.017 . 1 . . . 10 GLU HA . c16510_2ke1 1 91 . 1 1 10 10 GLU HB2 H 1 1.454 0.026 . 2 . . . 10 GLU HB2 . c16510_2ke1 1 92 . 1 1 10 10 GLU HB3 H 1 1.412 0.018 . 2 . . . 10 GLU HB3 . c16510_2ke1 1 93 . 1 1 10 10 GLU HG2 H 1 1.902 0.007 . 2 . . . 10 GLU HG2 . c16510_2ke1 1 94 . 1 1 10 10 GLU HG3 H 1 1.718 0.006 . 2 . . . 10 GLU HG3 . c16510_2ke1 1 95 . 1 1 10 10 GLU C C 13 171.930 0.000 . 1 . . . 10 GLU C . c16510_2ke1 1 96 . 1 1 10 10 GLU CA C 13 53.633 0.142 . 1 . . . 10 GLU CA . c16510_2ke1 1 97 . 1 1 10 10 GLU CB C 13 32.621 0.125 . 1 . . . 10 GLU CB . c16510_2ke1 1 98 . 1 1 10 10 GLU CG C 13 34.965 0.200 . 1 . . . 10 GLU CG . c16510_2ke1 1 99 . 1 1 10 10 GLU N N 15 116.028 0.079 . 1 . . . 10 GLU N . c16510_2ke1 1 100 . 1 1 11 11 CYS H H 1 8.197 0.016 . 1 . . . 11 CYS H . c16510_2ke1 1 101 . 1 1 11 11 CYS HA H 1 4.061 0.027 . 1 . . . 11 CYS HA . c16510_2ke1 1 102 . 1 1 11 11 CYS HB2 H 1 3.321 0.013 . 2 . . . 11 CYS HB2 . c16510_2ke1 1 103 . 1 1 11 11 CYS HB3 H 1 1.936 0.017 . 2 . . . 11 CYS HB3 . c16510_2ke1 1 104 . 1 1 11 11 CYS C C 13 177.575 0.000 . 1 . . . 11 CYS C . c16510_2ke1 1 105 . 1 1 11 11 CYS CA C 13 57.402 0.072 . 1 . . . 11 CYS CA . c16510_2ke1 1 106 . 1 1 11 11 CYS CB C 13 31.391 0.096 . 1 . . . 11 CYS CB . c16510_2ke1 1 107 . 1 1 11 11 CYS N N 15 122.053 0.083 . 1 . . . 11 CYS N . c16510_2ke1 1 108 . 1 1 12 12 ALA H H 1 8.872 0.009 . 1 . . . 12 ALA H . c16510_2ke1 1 109 . 1 1 12 12 ALA HA H 1 3.956 0.030 . 1 . . . 12 ALA HA . c16510_2ke1 1 110 . 1 1 12 12 ALA HB1 H 1 1.254 0.027 . 1 . . . 12 ALA HB1 . c16510_2ke1 1 111 . 1 1 12 12 ALA HB2 H 1 1.254 0.027 . 1 . . . 12 ALA HB2 . c16510_2ke1 1 112 . 1 1 12 12 ALA HB3 H 1 1.254 0.027 . 1 . . . 12 ALA HB3 . c16510_2ke1 1 113 . 1 1 12 12 ALA C C 13 178.193 0.000 . 1 . . . 12 ALA C . c16510_2ke1 1 114 . 1 1 12 12 ALA CA C 13 54.626 0.077 . 1 . . . 12 ALA CA . c16510_2ke1 1 115 . 1 1 12 12 ALA CB C 13 18.814 0.087 . 1 . . . 12 ALA CB . c16510_2ke1 1 116 . 1 1 12 12 ALA N N 15 132.681 0.066 . 1 . . . 12 ALA N . c16510_2ke1 1 117 . 1 1 13 13 VAL H H 1 8.960 0.016 . 1 . . . 13 VAL H . c16510_2ke1 1 118 . 1 1 13 13 VAL HA H 1 4.012 0.022 . 1 . . . 13 VAL HA . c16510_2ke1 1 119 . 1 1 13 13 VAL HB H 1 2.321 0.011 . 1 . . . 13 VAL HB . c16510_2ke1 1 120 . 1 1 13 13 VAL HG11 H 1 1.096 0.012 . 2 . . . 13 VAL HG11 . c16510_2ke1 1 121 . 1 1 13 13 VAL HG12 H 1 1.096 0.012 . 2 . . . 13 VAL HG12 . c16510_2ke1 1 122 . 1 1 13 13 VAL HG13 H 1 1.096 0.012 . 2 . . . 13 VAL HG13 . c16510_2ke1 1 123 . 1 1 13 13 VAL HG21 H 1 1.305 0.011 . 2 . . . 13 VAL HG21 . c16510_2ke1 1 124 . 1 1 13 13 VAL HG22 H 1 1.305 0.011 . 2 . . . 13 VAL HG22 . c16510_2ke1 1 125 . 1 1 13 13 VAL HG23 H 1 1.305 0.011 . 2 . . . 13 VAL HG23 . c16510_2ke1 1 126 . 1 1 13 13 VAL C C 13 176.920 0.000 . 1 . . . 13 VAL C . c16510_2ke1 1 127 . 1 1 13 13 VAL CA C 13 65.282 0.097 . 1 . . . 13 VAL CA . c16510_2ke1 1 128 . 1 1 13 13 VAL CB C 13 33.256 0.068 . 1 . . . 13 VAL CB . c16510_2ke1 1 129 . 1 1 13 13 VAL CG1 C 13 20.457 0.106 . 2 . . . 13 VAL CG1 . c16510_2ke1 1 130 . 1 1 13 13 VAL CG2 C 13 21.444 0.106 . 2 . . . 13 VAL CG2 . c16510_2ke1 1 131 . 1 1 13 13 VAL N N 15 119.548 0.164 . 1 . . . 13 VAL N . c16510_2ke1 1 132 . 1 1 14 14 CYS H H 1 8.009 0.010 . 1 . . . 14 CYS H . c16510_2ke1 1 133 . 1 1 14 14 CYS HA H 1 4.886 0.008 . 1 . . . 14 CYS HA . c16510_2ke1 1 134 . 1 1 14 14 CYS HB2 H 1 3.303 0.008 . 2 . . . 14 CYS HB2 . c16510_2ke1 1 135 . 1 1 14 14 CYS HB3 H 1 2.905 0.014 . 2 . . . 14 CYS HB3 . c16510_2ke1 1 136 . 1 1 14 14 CYS C C 13 175.968 0.000 . 1 . . . 14 CYS C . c16510_2ke1 1 137 . 1 1 14 14 CYS CA C 13 59.182 0.142 . 1 . . . 14 CYS CA . c16510_2ke1 1 138 . 1 1 14 14 CYS CB C 13 31.116 0.072 . 1 . . . 14 CYS CB . c16510_2ke1 1 139 . 1 1 14 14 CYS N N 15 117.099 0.067 . 1 . . . 14 CYS N . c16510_2ke1 1 140 . 1 1 15 15 ARG H H 1 8.056 0.009 . 1 . . . 15 ARG H . c16510_2ke1 1 141 . 1 1 15 15 ARG HA H 1 3.993 0.015 . 1 . . . 15 ARG HA . c16510_2ke1 1 142 . 1 1 15 15 ARG HB2 H 1 2.111 0.020 . 2 . . . 15 ARG HB2 . c16510_2ke1 1 143 . 1 1 15 15 ARG HB3 H 1 1.975 0.014 . 2 . . . 15 ARG HB3 . c16510_2ke1 1 144 . 1 1 15 15 ARG HD2 H 1 3.097 0.013 . 1 . . . 15 ARG HD2 . c16510_2ke1 1 145 . 1 1 15 15 ARG HD3 H 1 3.097 0.013 . 1 . . . 15 ARG HD3 . c16510_2ke1 1 146 . 1 1 15 15 ARG HG2 H 1 1.577 0.014 . 2 . . . 15 ARG HG2 . c16510_2ke1 1 147 . 1 1 15 15 ARG HG3 H 1 1.374 0.015 . 2 . . . 15 ARG HG3 . c16510_2ke1 1 148 . 1 1 15 15 ARG C C 13 176.054 0.000 . 1 . . . 15 ARG C . c16510_2ke1 1 149 . 1 1 15 15 ARG CA C 13 56.829 0.089 . 1 . . . 15 ARG CA . c16510_2ke1 1 150 . 1 1 15 15 ARG CB C 13 25.740 0.079 . 1 . . . 15 ARG CB . c16510_2ke1 1 151 . 1 1 15 15 ARG CD C 13 42.328 0.091 . 1 . . . 15 ARG CD . c16510_2ke1 1 152 . 1 1 15 15 ARG CG C 13 26.440 0.087 . 1 . . . 15 ARG CG . c16510_2ke1 1 153 . 1 1 15 15 ARG N N 15 117.025 0.109 . 1 . . . 15 ARG N . c16510_2ke1 1 154 . 1 1 16 16 ASP H H 1 8.156 0.005 . 1 . . . 16 ASP H . c16510_2ke1 1 155 . 1 1 16 16 ASP HA H 1 5.285 0.009 . 1 . . . 16 ASP HA . c16510_2ke1 1 156 . 1 1 16 16 ASP HB2 H 1 2.921 0.012 . 2 . . . 16 ASP HB2 . c16510_2ke1 1 157 . 1 1 16 16 ASP HB3 H 1 2.739 0.011 . 2 . . . 16 ASP HB3 . c16510_2ke1 1 158 . 1 1 16 16 ASP C C 13 177.426 0.000 . 1 . . . 16 ASP C . c16510_2ke1 1 159 . 1 1 16 16 ASP CA C 13 51.763 0.082 . 1 . . . 16 ASP CA . c16510_2ke1 1 160 . 1 1 16 16 ASP CB C 13 44.221 0.154 . 1 . . . 16 ASP CB . c16510_2ke1 1 161 . 1 1 16 16 ASP N N 15 118.971 0.105 . 1 . . . 16 ASP N . c16510_2ke1 1 162 . 1 1 17 17 GLY H H 1 9.088 0.009 . 1 . . . 17 GLY H . c16510_2ke1 1 163 . 1 1 17 17 GLY HA2 H 1 4.115 0.017 . 2 . . . 17 GLY HA2 . c16510_2ke1 1 164 . 1 1 17 17 GLY HA3 H 1 3.878 0.016 . 2 . . . 17 GLY HA3 . c16510_2ke1 1 165 . 1 1 17 17 GLY C C 13 172.564 0.000 . 1 . . . 17 GLY C . c16510_2ke1 1 166 . 1 1 17 17 GLY CA C 13 43.946 0.076 . 1 . . . 17 GLY CA . c16510_2ke1 1 167 . 1 1 17 17 GLY N N 15 108.736 0.077 . 1 . . . 17 GLY N . c16510_2ke1 1 168 . 1 1 18 18 GLY H H 1 7.730 0.011 . 1 . . . 18 GLY H . c16510_2ke1 1 169 . 1 1 18 18 GLY HA2 H 1 4.575 0.011 . 2 . . . 18 GLY HA2 . c16510_2ke1 1 170 . 1 1 18 18 GLY HA3 H 1 3.726 0.025 . 2 . . . 18 GLY HA3 . c16510_2ke1 1 171 . 1 1 18 18 GLY C C 13 171.854 0.000 . 1 . . . 18 GLY C . c16510_2ke1 1 172 . 1 1 18 18 GLY CA C 13 43.966 0.076 . 1 . . . 18 GLY CA . c16510_2ke1 1 173 . 1 1 18 18 GLY N N 15 110.312 0.086 . 1 . . . 18 GLY N . c16510_2ke1 1 174 . 1 1 19 19 GLU H H 1 8.757 0.018 . 1 . . . 19 GLU H . c16510_2ke1 1 175 . 1 1 19 19 GLU HA H 1 4.618 0.018 . 1 . . . 19 GLU HA . c16510_2ke1 1 176 . 1 1 19 19 GLU HB2 H 1 2.083 0.025 . 2 . . . 19 GLU HB2 . c16510_2ke1 1 177 . 1 1 19 19 GLU HB3 H 1 2.034 0.011 . 2 . . . 19 GLU HB3 . c16510_2ke1 1 178 . 1 1 19 19 GLU HG2 H 1 2.065 0.028 . 2 . . . 19 GLU HG2 . c16510_2ke1 1 179 . 1 1 19 19 GLU HG3 H 1 1.975 0.044 . 2 . . . 19 GLU HG3 . c16510_2ke1 1 180 . 1 1 19 19 GLU C C 13 175.078 0.000 . 1 . . . 19 GLU C . c16510_2ke1 1 181 . 1 1 19 19 GLU CA C 13 56.441 0.128 . 1 . . . 19 GLU CA . c16510_2ke1 1 182 . 1 1 19 19 GLU CB C 13 29.887 0.087 . 1 . . . 19 GLU CB . c16510_2ke1 1 183 . 1 1 19 19 GLU CG C 13 36.445 0.071 . 1 . . . 19 GLU CG . c16510_2ke1 1 184 . 1 1 19 19 GLU N N 15 125.258 0.064 . 1 . . . 19 GLU N . c16510_2ke1 1 185 . 1 1 20 20 LEU H H 1 8.829 0.009 . 1 . . . 20 LEU H . c16510_2ke1 1 186 . 1 1 20 20 LEU HA H 1 4.848 0.018 . 1 . . . 20 LEU HA . c16510_2ke1 1 187 . 1 1 20 20 LEU HB2 H 1 1.236 0.013 . 2 . . . 20 LEU HB2 . c16510_2ke1 1 188 . 1 1 20 20 LEU HB3 H 1 1.005 0.023 . 2 . . . 20 LEU HB3 . c16510_2ke1 1 189 . 1 1 20 20 LEU HD11 H 1 0.191 0.017 . 2 . . . 20 LEU HD11 . c16510_2ke1 1 190 . 1 1 20 20 LEU HD12 H 1 0.191 0.017 . 2 . . . 20 LEU HD12 . c16510_2ke1 1 191 . 1 1 20 20 LEU HD13 H 1 0.191 0.017 . 2 . . . 20 LEU HD13 . c16510_2ke1 1 192 . 1 1 20 20 LEU HD21 H 1 -0.208 0.013 . 2 . . . 20 LEU HD21 . c16510_2ke1 1 193 . 1 1 20 20 LEU HD22 H 1 -0.208 0.013 . 2 . . . 20 LEU HD22 . c16510_2ke1 1 194 . 1 1 20 20 LEU HD23 H 1 -0.208 0.013 . 2 . . . 20 LEU HD23 . c16510_2ke1 1 195 . 1 1 20 20 LEU HG H 1 1.254 0.012 . 1 . . . 20 LEU HG . c16510_2ke1 1 196 . 1 1 20 20 LEU C C 13 176.527 0.000 . 1 . . . 20 LEU C . c16510_2ke1 1 197 . 1 1 20 20 LEU CA C 13 52.579 0.160 . 1 . . . 20 LEU CA . c16510_2ke1 1 198 . 1 1 20 20 LEU CB C 13 44.869 0.088 . 1 . . . 20 LEU CB . c16510_2ke1 1 199 . 1 1 20 20 LEU CD1 C 13 26.092 0.149 . 2 . . . 20 LEU CD1 . c16510_2ke1 1 200 . 1 1 20 20 LEU CD2 C 13 22.650 0.071 . 2 . . . 20 LEU CD2 . c16510_2ke1 1 201 . 1 1 20 20 LEU CG C 13 25.685 0.126 . 1 . . . 20 LEU CG . c16510_2ke1 1 202 . 1 1 20 20 LEU N N 15 127.072 0.067 . 1 . . . 20 LEU N . c16510_2ke1 1 203 . 1 1 21 21 ILE H H 1 9.462 0.011 . 1 . . . 21 ILE H . c16510_2ke1 1 204 . 1 1 21 21 ILE HA H 1 4.716 0.016 . 1 . . . 21 ILE HA . c16510_2ke1 1 205 . 1 1 21 21 ILE HB H 1 1.154 0.015 . 1 . . . 21 ILE HB . c16510_2ke1 1 206 . 1 1 21 21 ILE HD11 H 1 -0.426 0.010 . 1 . . . 21 ILE HD11 . c16510_2ke1 1 207 . 1 1 21 21 ILE HD12 H 1 -0.426 0.010 . 1 . . . 21 ILE HD12 . c16510_2ke1 1 208 . 1 1 21 21 ILE HD13 H 1 -0.426 0.010 . 1 . . . 21 ILE HD13 . c16510_2ke1 1 209 . 1 1 21 21 ILE HG12 H 1 1.134 0.011 . 2 . . . 21 ILE HG12 . c16510_2ke1 1 210 . 1 1 21 21 ILE HG13 H 1 0.619 0.018 . 2 . . . 21 ILE HG13 . c16510_2ke1 1 211 . 1 1 21 21 ILE HG21 H 1 0.350 0.015 . 1 . . . 21 ILE HG21 . c16510_2ke1 1 212 . 1 1 21 21 ILE HG22 H 1 0.350 0.015 . 1 . . . 21 ILE HG22 . c16510_2ke1 1 213 . 1 1 21 21 ILE HG23 H 1 0.350 0.015 . 1 . . . 21 ILE HG23 . c16510_2ke1 1 214 . 1 1 21 21 ILE C C 13 174.421 0.000 . 1 . . . 21 ILE C . c16510_2ke1 1 215 . 1 1 21 21 ILE CA C 13 59.710 0.026 . 1 . . . 21 ILE CA . c16510_2ke1 1 216 . 1 1 21 21 ILE CB C 13 40.483 0.086 . 1 . . . 21 ILE CB . c16510_2ke1 1 217 . 1 1 21 21 ILE CD1 C 13 13.907 0.084 . 1 . . . 21 ILE CD1 . c16510_2ke1 1 218 . 1 1 21 21 ILE CG1 C 13 28.314 0.087 . 1 . . . 21 ILE CG1 . c16510_2ke1 1 219 . 1 1 21 21 ILE CG2 C 13 15.407 0.108 . 1 . . . 21 ILE CG2 . c16510_2ke1 1 220 . 1 1 21 21 ILE N N 15 120.110 0.130 . 1 . . . 21 ILE N . c16510_2ke1 1 221 . 1 1 22 22 CYS H H 1 8.045 0.008 . 1 . . . 22 CYS H . c16510_2ke1 1 222 . 1 1 22 22 CYS HA H 1 4.509 0.009 . 1 . . . 22 CYS HA . c16510_2ke1 1 223 . 1 1 22 22 CYS HB2 H 1 2.661 0.018 . 2 . . . 22 CYS HB2 . c16510_2ke1 1 224 . 1 1 22 22 CYS HB3 H 1 2.629 0.024 . 2 . . . 22 CYS HB3 . c16510_2ke1 1 225 . 1 1 22 22 CYS CA C 13 58.705 0.080 . 1 . . . 22 CYS CA . c16510_2ke1 1 226 . 1 1 22 22 CYS CB C 13 30.070 0.161 . 1 . . . 22 CYS CB . c16510_2ke1 1 227 . 1 1 22 22 CYS N N 15 123.296 0.075 . 1 . . . 22 CYS N . c16510_2ke1 1 228 . 1 1 23 23 CYS H H 1 8.571 0.009 . 1 . . . 23 CYS H . c16510_2ke1 1 229 . 1 1 23 23 CYS HA H 1 4.789 0.014 . 1 . . . 23 CYS HA . c16510_2ke1 1 230 . 1 1 23 23 CYS HB2 H 1 3.790 0.014 . 2 . . . 23 CYS HB2 . c16510_2ke1 1 231 . 1 1 23 23 CYS HB3 H 1 2.849 0.016 . 2 . . . 23 CYS HB3 . c16510_2ke1 1 232 . 1 1 23 23 CYS C C 13 176.360 0.000 . 1 . . . 23 CYS C . c16510_2ke1 1 233 . 1 1 23 23 CYS CA C 13 61.680 0.000 . 1 . . . 23 CYS CA . c16510_2ke1 1 234 . 1 1 23 23 CYS CB C 13 30.195 0.081 . 1 . . . 23 CYS CB . c16510_2ke1 1 235 . 1 1 23 23 CYS N N 15 125.883 0.045 . 1 . . . 23 CYS N . c16510_2ke1 1 236 . 1 1 24 24 ASP H H 1 9.121 0.012 . 1 . . . 24 ASP H . c16510_2ke1 1 237 . 1 1 24 24 ASP HA H 1 4.950 0.012 . 1 . . . 24 ASP HA . c16510_2ke1 1 238 . 1 1 24 24 ASP HB2 H 1 2.879 0.022 . 2 . . . 24 ASP HB2 . c16510_2ke1 1 239 . 1 1 24 24 ASP HB3 H 1 2.565 0.019 . 2 . . . 24 ASP HB3 . c16510_2ke1 1 240 . 1 1 24 24 ASP C C 13 176.486 0.000 . 1 . . . 24 ASP C . c16510_2ke1 1 241 . 1 1 24 24 ASP CA C 13 56.382 0.237 . 1 . . . 24 ASP CA . c16510_2ke1 1 242 . 1 1 24 24 ASP CB C 13 41.738 0.075 . 1 . . . 24 ASP CB . c16510_2ke1 1 243 . 1 1 24 24 ASP N N 15 125.234 0.081 . 1 . . . 24 ASP N . c16510_2ke1 1 244 . 1 1 25 25 GLY H H 1 10.880 0.005 . 1 . . . 25 GLY H . c16510_2ke1 1 245 . 1 1 25 25 GLY HA2 H 1 4.353 0.007 . 2 . . . 25 GLY HA2 . c16510_2ke1 1 246 . 1 1 25 25 GLY HA3 H 1 3.965 0.010 . 2 . . . 25 GLY HA3 . c16510_2ke1 1 247 . 1 1 25 25 GLY C C 13 172.117 0.000 . 1 . . . 25 GLY C . c16510_2ke1 1 248 . 1 1 25 25 GLY CA C 13 45.559 0.070 . 1 . . . 25 GLY CA . c16510_2ke1 1 249 . 1 1 25 25 GLY N N 15 116.622 0.043 . 1 . . . 25 GLY N . c16510_2ke1 1 250 . 1 1 26 26 CYS H H 1 8.089 0.006 . 1 . . . 26 CYS H . c16510_2ke1 1 251 . 1 1 26 26 CYS HA H 1 4.879 0.005 . 1 . . . 26 CYS HA . c16510_2ke1 1 252 . 1 1 26 26 CYS HB2 H 1 3.136 0.012 . 2 . . . 26 CYS HB2 . c16510_2ke1 1 253 . 1 1 26 26 CYS HB3 H 1 2.642 0.015 . 2 . . . 26 CYS HB3 . c16510_2ke1 1 254 . 1 1 26 26 CYS CA C 13 57.740 0.078 . 1 . . . 26 CYS CA . c16510_2ke1 1 255 . 1 1 26 26 CYS CB C 13 30.472 0.082 . 1 . . . 26 CYS CB . c16510_2ke1 1 256 . 1 1 26 26 CYS N N 15 124.926 0.109 . 1 . . . 26 CYS N . c16510_2ke1 1 257 . 1 1 27 27 PRO HA H 1 4.743 0.005 . 1 . . . 27 PRO HA . c16510_2ke1 1 258 . 1 1 27 27 PRO HB2 H 1 2.411 0.030 . 2 . . . 27 PRO HB2 . c16510_2ke1 1 259 . 1 1 27 27 PRO HB3 H 1 1.934 0.013 . 2 . . . 27 PRO HB3 . c16510_2ke1 1 260 . 1 1 27 27 PRO HD2 H 1 3.725 0.009 . 2 . . . 27 PRO HD2 . c16510_2ke1 1 261 . 1 1 27 27 PRO HD3 H 1 3.471 0.019 . 2 . . . 27 PRO HD3 . c16510_2ke1 1 262 . 1 1 27 27 PRO HG2 H 1 1.908 0.000 . 1 . . . 27 PRO HG2 . c16510_2ke1 1 263 . 1 1 27 27 PRO HG3 H 1 1.908 0.000 . 1 . . . 27 PRO HG3 . c16510_2ke1 1 264 . 1 1 27 27 PRO C C 13 177.233 0.000 . 1 . . . 27 PRO C . c16510_2ke1 1 265 . 1 1 27 27 PRO CA C 13 63.900 0.000 . 1 . . . 27 PRO CA . c16510_2ke1 1 266 . 1 1 27 27 PRO CB C 13 32.950 0.071 . 1 . . . 27 PRO CB . c16510_2ke1 1 267 . 1 1 27 27 PRO CD C 13 50.843 0.092 . 1 . . . 27 PRO CD . c16510_2ke1 1 268 . 1 1 28 28 ARG H H 1 8.965 0.021 . 1 . . . 28 ARG H . c16510_2ke1 1 269 . 1 1 28 28 ARG HA H 1 4.013 0.047 . 1 . . . 28 ARG HA . c16510_2ke1 1 270 . 1 1 28 28 ARG HB2 H 1 1.864 0.017 . 2 . . . 28 ARG HB2 . c16510_2ke1 1 271 . 1 1 28 28 ARG HB3 H 1 1.416 0.019 . 2 . . . 28 ARG HB3 . c16510_2ke1 1 272 . 1 1 28 28 ARG HD2 H 1 3.476 0.012 . 2 . . . 28 ARG HD2 . c16510_2ke1 1 273 . 1 1 28 28 ARG HD3 H 1 3.108 0.016 . 2 . . . 28 ARG HD3 . c16510_2ke1 1 274 . 1 1 28 28 ARG HG2 H 1 2.065 0.014 . 2 . . . 28 ARG HG2 . c16510_2ke1 1 275 . 1 1 28 28 ARG HG3 H 1 1.637 0.013 . 2 . . . 28 ARG HG3 . c16510_2ke1 1 276 . 1 1 28 28 ARG C C 13 174.497 0.000 . 1 . . . 28 ARG C . c16510_2ke1 1 277 . 1 1 28 28 ARG CA C 13 58.724 0.167 . 1 . . . 28 ARG CA . c16510_2ke1 1 278 . 1 1 28 28 ARG CB C 13 32.360 0.075 . 1 . . . 28 ARG CB . c16510_2ke1 1 279 . 1 1 28 28 ARG CD C 13 44.543 0.075 . 1 . . . 28 ARG CD . c16510_2ke1 1 280 . 1 1 28 28 ARG CG C 13 29.888 0.132 . 1 . . . 28 ARG CG . c16510_2ke1 1 281 . 1 1 28 28 ARG N N 15 121.163 0.131 . 1 . . . 28 ARG N . c16510_2ke1 1 282 . 1 1 29 29 ALA H H 1 8.895 0.027 . 1 . . . 29 ALA H . c16510_2ke1 1 283 . 1 1 29 29 ALA HA H 1 5.304 0.016 . 1 . . . 29 ALA HA . c16510_2ke1 1 284 . 1 1 29 29 ALA HB1 H 1 1.044 0.018 . 1 . . . 29 ALA HB1 . c16510_2ke1 1 285 . 1 1 29 29 ALA HB2 H 1 1.044 0.018 . 1 . . . 29 ALA HB2 . c16510_2ke1 1 286 . 1 1 29 29 ALA HB3 H 1 1.044 0.018 . 1 . . . 29 ALA HB3 . c16510_2ke1 1 287 . 1 1 29 29 ALA C C 13 175.274 0.000 . 1 . . . 29 ALA C . c16510_2ke1 1 288 . 1 1 29 29 ALA CA C 13 50.537 0.072 . 1 . . . 29 ALA CA . c16510_2ke1 1 289 . 1 1 29 29 ALA CB C 13 23.578 0.075 . 1 . . . 29 ALA CB . c16510_2ke1 1 290 . 1 1 29 29 ALA N N 15 124.292 0.072 . 1 . . . 29 ALA N . c16510_2ke1 1 291 . 1 1 30 30 PHE H H 1 8.819 0.018 . 1 . . . 30 PHE H . c16510_2ke1 1 292 . 1 1 30 30 PHE HA H 1 5.646 0.018 . 1 . . . 30 PHE HA . c16510_2ke1 1 293 . 1 1 30 30 PHE HB2 H 1 3.056 0.014 . 2 . . . 30 PHE HB2 . c16510_2ke1 1 294 . 1 1 30 30 PHE HB3 H 1 2.371 0.015 . 2 . . . 30 PHE HB3 . c16510_2ke1 1 295 . 1 1 30 30 PHE HD1 H 1 7.235 0.025 . 3 . . . 30 PHE HD1 . c16510_2ke1 1 296 . 1 1 30 30 PHE HD2 H 1 7.235 0.025 . 3 . . . 30 PHE HD2 . c16510_2ke1 1 297 . 1 1 30 30 PHE HE1 H 1 7.247 0.031 . 3 . . . 30 PHE HE1 . c16510_2ke1 1 298 . 1 1 30 30 PHE HE2 H 1 7.247 0.031 . 3 . . . 30 PHE HE2 . c16510_2ke1 1 299 . 1 1 30 30 PHE HZ H 1 7.356 0.033 . 1 . . . 30 PHE HZ . c16510_2ke1 1 300 . 1 1 30 30 PHE C C 13 176.756 0.000 . 1 . . . 30 PHE C . c16510_2ke1 1 301 . 1 1 30 30 PHE CA C 13 56.810 0.097 . 1 . . . 30 PHE CA . c16510_2ke1 1 302 . 1 1 30 30 PHE CB C 13 45.183 0.092 . 1 . . . 30 PHE CB . c16510_2ke1 1 303 . 1 1 30 30 PHE CD1 C 13 132.482 0.094 . 3 . . . 30 PHE CD1 . c16510_2ke1 1 304 . 1 1 30 30 PHE CD2 C 13 132.482 0.094 . 3 . . . 30 PHE CD2 . c16510_2ke1 1 305 . 1 1 30 30 PHE CZ C 13 129.781 0.165 . 1 . . . 30 PHE CZ . c16510_2ke1 1 306 . 1 1 30 30 PHE N N 15 113.433 0.085 . 1 . . . 30 PHE N . c16510_2ke1 1 307 . 1 1 31 31 HIS H H 1 8.833 0.008 . 1 . . . 31 HIS H . c16510_2ke1 1 308 . 1 1 31 31 HIS HA H 1 4.934 0.012 . 1 . . . 31 HIS HA . c16510_2ke1 1 309 . 1 1 31 31 HIS HB2 H 1 3.623 0.033 . 2 . . . 31 HIS HB2 . c16510_2ke1 1 310 . 1 1 31 31 HIS HB3 H 1 3.550 0.025 . 2 . . . 31 HIS HB3 . c16510_2ke1 1 311 . 1 1 31 31 HIS HD2 H 1 7.405 0.024 . 1 . . . 31 HIS HD2 . c16510_2ke1 1 312 . 1 1 31 31 HIS HE1 H 1 7.297 0.030 . 1 . . . 31 HIS HE1 . c16510_2ke1 1 313 . 1 1 31 31 HIS HE2 H 1 11.328 0.021 . 1 . . . 31 HIS HE2 . c16510_2ke1 1 314 . 1 1 31 31 HIS C C 13 177.655 0.000 . 1 . . . 31 HIS C . c16510_2ke1 1 315 . 1 1 31 31 HIS CA C 13 58.388 0.069 . 1 . . . 31 HIS CA . c16510_2ke1 1 316 . 1 1 31 31 HIS CB C 13 30.518 0.073 . 1 . . . 31 HIS CB . c16510_2ke1 1 317 . 1 1 31 31 HIS CD2 C 13 118.827 0.117 . 1 . . . 31 HIS CD2 . c16510_2ke1 1 318 . 1 1 31 31 HIS CE1 C 13 139.043 0.056 . 1 . . . 31 HIS CE1 . c16510_2ke1 1 319 . 1 1 31 31 HIS N N 15 121.205 0.065 . 1 . . . 31 HIS N . c16510_2ke1 1 320 . 1 1 32 32 LEU H H 1 9.053 0.010 . 1 . . . 32 LEU H . c16510_2ke1 1 321 . 1 1 32 32 LEU HA H 1 3.801 0.021 . 1 . . . 32 LEU HA . c16510_2ke1 1 322 . 1 1 32 32 LEU HB2 H 1 1.793 0.012 . 2 . . . 32 LEU HB2 . c16510_2ke1 1 323 . 1 1 32 32 LEU HB3 H 1 1.525 0.011 . 2 . . . 32 LEU HB3 . c16510_2ke1 1 324 . 1 1 32 32 LEU HD11 H 1 0.604 0.026 . 2 . . . 32 LEU HD11 . c16510_2ke1 1 325 . 1 1 32 32 LEU HD12 H 1 0.604 0.026 . 2 . . . 32 LEU HD12 . c16510_2ke1 1 326 . 1 1 32 32 LEU HD13 H 1 0.604 0.026 . 2 . . . 32 LEU HD13 . c16510_2ke1 1 327 . 1 1 32 32 LEU HD21 H 1 0.501 0.015 . 2 . . . 32 LEU HD21 . c16510_2ke1 1 328 . 1 1 32 32 LEU HD22 H 1 0.501 0.015 . 2 . . . 32 LEU HD22 . c16510_2ke1 1 329 . 1 1 32 32 LEU HD23 H 1 0.501 0.015 . 2 . . . 32 LEU HD23 . c16510_2ke1 1 330 . 1 1 32 32 LEU HG H 1 1.592 0.026 . 1 . . . 32 LEU HG . c16510_2ke1 1 331 . 1 1 32 32 LEU C C 13 179.524 0.000 . 1 . . . 32 LEU C . c16510_2ke1 1 332 . 1 1 32 32 LEU CA C 13 59.304 0.071 . 1 . . . 32 LEU CA . c16510_2ke1 1 333 . 1 1 32 32 LEU CB C 13 40.131 0.113 . 1 . . . 32 LEU CB . c16510_2ke1 1 334 . 1 1 32 32 LEU CD1 C 13 24.792 0.131 . 2 . . . 32 LEU CD1 . c16510_2ke1 1 335 . 1 1 32 32 LEU CD2 C 13 23.277 0.106 . 2 . . . 32 LEU CD2 . c16510_2ke1 1 336 . 1 1 32 32 LEU CG C 13 28.093 0.053 . 1 . . . 32 LEU CG . c16510_2ke1 1 337 . 1 1 32 32 LEU N N 15 124.717 0.082 . 1 . . . 32 LEU N . c16510_2ke1 1 338 . 1 1 33 33 ALA H H 1 8.323 0.007 . 1 . . . 33 ALA H . c16510_2ke1 1 339 . 1 1 33 33 ALA HA H 1 4.303 0.010 . 1 . . . 33 ALA HA . c16510_2ke1 1 340 . 1 1 33 33 ALA HB1 H 1 1.446 0.011 . 1 . . . 33 ALA HB1 . c16510_2ke1 1 341 . 1 1 33 33 ALA HB2 H 1 1.446 0.011 . 1 . . . 33 ALA HB2 . c16510_2ke1 1 342 . 1 1 33 33 ALA HB3 H 1 1.446 0.011 . 1 . . . 33 ALA HB3 . c16510_2ke1 1 343 . 1 1 33 33 ALA C C 13 178.430 0.000 . 1 . . . 33 ALA C . c16510_2ke1 1 344 . 1 1 33 33 ALA CA C 13 52.991 0.320 . 1 . . . 33 ALA CA . c16510_2ke1 1 345 . 1 1 33 33 ALA CB C 13 18.685 0.113 . 1 . . . 33 ALA CB . c16510_2ke1 1 346 . 1 1 33 33 ALA N N 15 114.356 0.080 . 1 . . . 33 ALA N . c16510_2ke1 1 347 . 1 1 34 34 CYS H H 1 7.565 0.008 . 1 . . . 34 CYS H . c16510_2ke1 1 348 . 1 1 34 34 CYS HA H 1 4.354 0.017 . 1 . . . 34 CYS HA . c16510_2ke1 1 349 . 1 1 34 34 CYS HB2 H 1 3.296 0.011 . 2 . . . 34 CYS HB2 . c16510_2ke1 1 350 . 1 1 34 34 CYS HB3 H 1 3.044 0.020 . 2 . . . 34 CYS HB3 . c16510_2ke1 1 351 . 1 1 34 34 CYS C C 13 175.111 0.000 . 1 . . . 34 CYS C . c16510_2ke1 1 352 . 1 1 34 34 CYS CA C 13 61.308 0.075 . 1 . . . 34 CYS CA . c16510_2ke1 1 353 . 1 1 34 34 CYS CB C 13 30.803 0.071 . 1 . . . 34 CYS CB . c16510_2ke1 1 354 . 1 1 34 34 CYS N N 15 115.498 0.050 . 1 . . . 34 CYS N . c16510_2ke1 1 355 . 1 1 35 35 LEU H H 1 6.725 0.029 . 1 . . . 35 LEU H . c16510_2ke1 1 356 . 1 1 35 35 LEU HA H 1 4.068 0.016 . 1 . . . 35 LEU HA . c16510_2ke1 1 357 . 1 1 35 35 LEU HB2 H 1 1.825 0.024 . 2 . . . 35 LEU HB2 . c16510_2ke1 1 358 . 1 1 35 35 LEU HB3 H 1 1.369 0.017 . 2 . . . 35 LEU HB3 . c16510_2ke1 1 359 . 1 1 35 35 LEU HD11 H 1 0.744 0.013 . 2 . . . 35 LEU HD11 . c16510_2ke1 1 360 . 1 1 35 35 LEU HD12 H 1 0.744 0.013 . 2 . . . 35 LEU HD12 . c16510_2ke1 1 361 . 1 1 35 35 LEU HD13 H 1 0.744 0.013 . 2 . . . 35 LEU HD13 . c16510_2ke1 1 362 . 1 1 35 35 LEU HD21 H 1 0.438 0.016 . 2 . . . 35 LEU HD21 . c16510_2ke1 1 363 . 1 1 35 35 LEU HD22 H 1 0.438 0.016 . 2 . . . 35 LEU HD22 . c16510_2ke1 1 364 . 1 1 35 35 LEU HD23 H 1 0.438 0.016 . 2 . . . 35 LEU HD23 . c16510_2ke1 1 365 . 1 1 35 35 LEU HG H 1 1.803 0.022 . 1 . . . 35 LEU HG . c16510_2ke1 1 366 . 1 1 35 35 LEU C C 13 175.050 0.000 . 1 . . . 35 LEU C . c16510_2ke1 1 367 . 1 1 35 35 LEU CA C 13 55.168 0.096 . 1 . . . 35 LEU CA . c16510_2ke1 1 368 . 1 1 35 35 LEU CB C 13 43.927 0.091 . 1 . . . 35 LEU CB . c16510_2ke1 1 369 . 1 1 35 35 LEU CD1 C 13 26.751 0.092 . 2 . . . 35 LEU CD1 . c16510_2ke1 1 370 . 1 1 35 35 LEU CD2 C 13 23.550 0.095 . 2 . . . 35 LEU CD2 . c16510_2ke1 1 371 . 1 1 35 35 LEU CG C 13 27.006 0.085 . 1 . . . 35 LEU CG . c16510_2ke1 1 372 . 1 1 35 35 LEU N N 15 120.664 0.065 . 1 . . . 35 LEU N . c16510_2ke1 1 373 . 1 1 36 36 SER H H 1 7.941 0.004 . 1 . . . 36 SER H . c16510_2ke1 1 374 . 1 1 36 36 SER HA H 1 4.737 0.007 . 1 . . . 36 SER HA . c16510_2ke1 1 375 . 1 1 36 36 SER HB2 H 1 3.737 0.009 . 2 . . . 36 SER HB2 . c16510_2ke1 1 376 . 1 1 36 36 SER HB3 H 1 3.609 0.005 . 2 . . . 36 SER HB3 . c16510_2ke1 1 377 . 1 1 36 36 SER CA C 13 54.265 0.053 . 1 . . . 36 SER CA . c16510_2ke1 1 378 . 1 1 36 36 SER CB C 13 64.620 0.070 . 1 . . . 36 SER CB . c16510_2ke1 1 379 . 1 1 36 36 SER N N 15 113.346 0.083 . 1 . . . 36 SER N . c16510_2ke1 1 380 . 1 1 37 37 PRO HA H 1 5.056 0.020 . 1 . . . 37 PRO HA . c16510_2ke1 1 381 . 1 1 37 37 PRO HB2 H 1 2.387 0.013 . 2 . . . 37 PRO HB2 . c16510_2ke1 1 382 . 1 1 37 37 PRO HB3 H 1 2.026 0.014 . 2 . . . 37 PRO HB3 . c16510_2ke1 1 383 . 1 1 37 37 PRO HD2 H 1 3.613 0.013 . 2 . . . 37 PRO HD2 . c16510_2ke1 1 384 . 1 1 37 37 PRO HD3 H 1 3.446 0.008 . 2 . . . 37 PRO HD3 . c16510_2ke1 1 385 . 1 1 37 37 PRO HG2 H 1 1.907 0.007 . 2 . . . 37 PRO HG2 . c16510_2ke1 1 386 . 1 1 37 37 PRO HG3 H 1 1.812 0.002 . 2 . . . 37 PRO HG3 . c16510_2ke1 1 387 . 1 1 37 37 PRO CA C 13 62.479 0.106 . 1 . . . 37 PRO CA . c16510_2ke1 1 388 . 1 1 37 37 PRO CB C 13 33.122 0.088 . 1 . . . 37 PRO CB . c16510_2ke1 1 389 . 1 1 37 37 PRO CD C 13 50.125 0.194 . 1 . . . 37 PRO CD . c16510_2ke1 1 390 . 1 1 37 37 PRO CG C 13 24.785 0.118 . 1 . . . 37 PRO CG . c16510_2ke1 1 391 . 1 1 38 38 PRO HA H 1 4.283 0.020 . 1 . . . 38 PRO HA . c16510_2ke1 1 392 . 1 1 38 38 PRO HB2 H 1 2.238 0.012 . 2 . . . 38 PRO HB2 . c16510_2ke1 1 393 . 1 1 38 38 PRO HB3 H 1 1.733 0.039 . 2 . . . 38 PRO HB3 . c16510_2ke1 1 394 . 1 1 38 38 PRO HD2 H 1 3.746 0.023 . 2 . . . 38 PRO HD2 . c16510_2ke1 1 395 . 1 1 38 38 PRO HD3 H 1 3.646 0.054 . 2 . . . 38 PRO HD3 . c16510_2ke1 1 396 . 1 1 38 38 PRO HG2 H 1 2.069 0.019 . 1 . . . 38 PRO HG2 . c16510_2ke1 1 397 . 1 1 38 38 PRO HG3 H 1 2.069 0.019 . 1 . . . 38 PRO HG3 . c16510_2ke1 1 398 . 1 1 38 38 PRO C C 13 177.339 0.000 . 1 . . . 38 PRO C . c16510_2ke1 1 399 . 1 1 38 38 PRO CA C 13 63.072 0.147 . 1 . . . 38 PRO CA . c16510_2ke1 1 400 . 1 1 38 38 PRO CB C 13 32.388 0.063 . 1 . . . 38 PRO CB . c16510_2ke1 1 401 . 1 1 38 38 PRO CD C 13 50.099 0.127 . 1 . . . 38 PRO CD . c16510_2ke1 1 402 . 1 1 38 38 PRO CG C 13 27.699 0.074 . 1 . . . 38 PRO CG . c16510_2ke1 1 403 . 1 1 39 39 LEU H H 1 7.307 0.010 . 1 . . . 39 LEU H . c16510_2ke1 1 404 . 1 1 39 39 LEU HA H 1 4.543 0.007 . 1 . . . 39 LEU HA . c16510_2ke1 1 405 . 1 1 39 39 LEU HB2 H 1 1.457 0.016 . 2 . . . 39 LEU HB2 . c16510_2ke1 1 406 . 1 1 39 39 LEU HB3 H 1 1.456 0.015 . 2 . . . 39 LEU HB3 . c16510_2ke1 1 407 . 1 1 39 39 LEU HD11 H 1 0.801 0.013 . 2 . . . 39 LEU HD11 . c16510_2ke1 1 408 . 1 1 39 39 LEU HD12 H 1 0.801 0.013 . 2 . . . 39 LEU HD12 . c16510_2ke1 1 409 . 1 1 39 39 LEU HD13 H 1 0.801 0.013 . 2 . . . 39 LEU HD13 . c16510_2ke1 1 410 . 1 1 39 39 LEU HD21 H 1 0.644 0.005 . 2 . . . 39 LEU HD21 . c16510_2ke1 1 411 . 1 1 39 39 LEU HD22 H 1 0.644 0.005 . 2 . . . 39 LEU HD22 . c16510_2ke1 1 412 . 1 1 39 39 LEU HD23 H 1 0.644 0.005 . 2 . . . 39 LEU HD23 . c16510_2ke1 1 413 . 1 1 39 39 LEU HG H 1 1.684 0.016 . 1 . . . 39 LEU HG . c16510_2ke1 1 414 . 1 1 39 39 LEU C C 13 176.608 0.000 . 1 . . . 39 LEU C . c16510_2ke1 1 415 . 1 1 39 39 LEU CA C 13 53.624 0.091 . 1 . . . 39 LEU CA . c16510_2ke1 1 416 . 1 1 39 39 LEU CB C 13 44.574 0.074 . 1 . . . 39 LEU CB . c16510_2ke1 1 417 . 1 1 39 39 LEU CD1 C 13 25.074 0.000 . 2 . . . 39 LEU CD1 . c16510_2ke1 1 418 . 1 1 39 39 LEU CD2 C 13 22.764 0.142 . 2 . . . 39 LEU CD2 . c16510_2ke1 1 419 . 1 1 39 39 LEU CG C 13 27.010 0.115 . 1 . . . 39 LEU CG . c16510_2ke1 1 420 . 1 1 39 39 LEU N N 15 120.923 0.079 . 1 . . . 39 LEU N . c16510_2ke1 1 421 . 1 1 40 40 ARG H H 1 8.667 0.006 . 1 . . . 40 ARG H . c16510_2ke1 1 422 . 1 1 40 40 ARG HA H 1 4.246 0.013 . 1 . . . 40 ARG HA . c16510_2ke1 1 423 . 1 1 40 40 ARG HB2 H 1 1.872 0.012 . 1 . . . 40 ARG HB2 . c16510_2ke1 1 424 . 1 1 40 40 ARG HB3 H 1 1.872 0.012 . 1 . . . 40 ARG HB3 . c16510_2ke1 1 425 . 1 1 40 40 ARG HD2 H 1 3.149 0.011 . 1 . . . 40 ARG HD2 . c16510_2ke1 1 426 . 1 1 40 40 ARG HD3 H 1 3.149 0.011 . 1 . . . 40 ARG HD3 . c16510_2ke1 1 427 . 1 1 40 40 ARG HG2 H 1 1.654 0.029 . 1 . . . 40 ARG HG2 . c16510_2ke1 1 428 . 1 1 40 40 ARG HG3 H 1 1.654 0.029 . 1 . . . 40 ARG HG3 . c16510_2ke1 1 429 . 1 1 40 40 ARG C C 13 175.562 0.000 . 1 . . . 40 ARG C . c16510_2ke1 1 430 . 1 1 40 40 ARG CA C 13 56.218 0.004 . 1 . . . 40 ARG CA . c16510_2ke1 1 431 . 1 1 40 40 ARG CD C 13 42.920 0.000 . 1 . . . 40 ARG CD . c16510_2ke1 1 432 . 1 1 40 40 ARG N N 15 118.984 0.096 . 1 . . . 40 ARG N . c16510_2ke1 1 433 . 1 1 41 41 GLU H H 1 7.333 0.008 . 1 . . . 41 GLU H . c16510_2ke1 1 434 . 1 1 41 41 GLU HA H 1 4.434 0.021 . 1 . . . 41 GLU HA . c16510_2ke1 1 435 . 1 1 41 41 GLU HB2 H 1 1.917 0.017 . 2 . . . 41 GLU HB2 . c16510_2ke1 1 436 . 1 1 41 41 GLU HB3 H 1 1.734 0.010 . 2 . . . 41 GLU HB3 . c16510_2ke1 1 437 . 1 1 41 41 GLU HG2 H 1 1.999 0.000 . 1 . . . 41 GLU HG2 . c16510_2ke1 1 438 . 1 1 41 41 GLU HG3 H 1 1.999 0.000 . 1 . . . 41 GLU HG3 . c16510_2ke1 1 439 . 1 1 41 41 GLU C C 13 174.600 0.000 . 1 . . . 41 GLU C . c16510_2ke1 1 440 . 1 1 41 41 GLU CA C 13 53.653 0.075 . 1 . . . 41 GLU CA . c16510_2ke1 1 441 . 1 1 41 41 GLU CB C 13 32.755 0.024 . 1 . . . 41 GLU CB . c16510_2ke1 1 442 . 1 1 41 41 GLU N N 15 115.519 0.081 . 1 . . . 41 GLU N . c16510_2ke1 1 443 . 1 1 42 42 ILE H H 1 8.676 0.009 . 1 . . . 42 ILE H . c16510_2ke1 1 444 . 1 1 42 42 ILE HA H 1 3.795 0.011 . 1 . . . 42 ILE HA . c16510_2ke1 1 445 . 1 1 42 42 ILE HB H 1 1.692 0.020 . 1 . . . 42 ILE HB . c16510_2ke1 1 446 . 1 1 42 42 ILE HD11 H 1 0.737 0.010 . 1 . . . 42 ILE HD11 . c16510_2ke1 1 447 . 1 1 42 42 ILE HD12 H 1 0.737 0.010 . 1 . . . 42 ILE HD12 . c16510_2ke1 1 448 . 1 1 42 42 ILE HD13 H 1 0.737 0.010 . 1 . . . 42 ILE HD13 . c16510_2ke1 1 449 . 1 1 42 42 ILE HG12 H 1 1.526 0.016 . 2 . . . 42 ILE HG12 . c16510_2ke1 1 450 . 1 1 42 42 ILE HG13 H 1 0.870 0.014 . 2 . . . 42 ILE HG13 . c16510_2ke1 1 451 . 1 1 42 42 ILE HG21 H 1 0.745 0.008 . 1 . . . 42 ILE HG21 . c16510_2ke1 1 452 . 1 1 42 42 ILE HG22 H 1 0.745 0.008 . 1 . . . 42 ILE HG22 . c16510_2ke1 1 453 . 1 1 42 42 ILE HG23 H 1 0.745 0.008 . 1 . . . 42 ILE HG23 . c16510_2ke1 1 454 . 1 1 42 42 ILE CA C 13 59.297 0.073 . 1 . . . 42 ILE CA . c16510_2ke1 1 455 . 1 1 42 42 ILE CB C 13 38.204 0.240 . 1 . . . 42 ILE CB . c16510_2ke1 1 456 . 1 1 42 42 ILE CD1 C 13 13.304 0.066 . 1 . . . 42 ILE CD1 . c16510_2ke1 1 457 . 1 1 42 42 ILE CG1 C 13 28.106 0.100 . 1 . . . 42 ILE CG1 . c16510_2ke1 1 458 . 1 1 42 42 ILE CG2 C 13 17.653 0.072 . 1 . . . 42 ILE CG2 . c16510_2ke1 1 459 . 1 1 42 42 ILE N N 15 124.004 0.093 . 1 . . . 42 ILE N . c16510_2ke1 1 460 . 1 1 43 43 PRO HA H 1 4.462 0.021 . 1 . . . 43 PRO HA . c16510_2ke1 1 461 . 1 1 43 43 PRO HB2 H 1 2.344 0.010 . 2 . . . 43 PRO HB2 . c16510_2ke1 1 462 . 1 1 43 43 PRO HB3 H 1 1.917 0.015 . 2 . . . 43 PRO HB3 . c16510_2ke1 1 463 . 1 1 43 43 PRO HD2 H 1 3.068 0.011 . 2 . . . 43 PRO HD2 . c16510_2ke1 1 464 . 1 1 43 43 PRO HD3 H 1 3.797 0.017 . 2 . . . 43 PRO HD3 . c16510_2ke1 1 465 . 1 1 43 43 PRO HG2 H 1 1.820 0.028 . 2 . . . 43 PRO HG2 . c16510_2ke1 1 466 . 1 1 43 43 PRO HG3 H 1 1.748 0.017 . 2 . . . 43 PRO HG3 . c16510_2ke1 1 467 . 1 1 43 43 PRO C C 13 176.040 0.000 . 1 . . . 43 PRO C . c16510_2ke1 1 468 . 1 1 43 43 PRO CA C 13 62.781 0.091 . 1 . . . 43 PRO CA . c16510_2ke1 1 469 . 1 1 43 43 PRO CB C 13 32.522 0.155 . 1 . . . 43 PRO CB . c16510_2ke1 1 470 . 1 1 43 43 PRO CD C 13 50.844 0.088 . 1 . . . 43 PRO CD . c16510_2ke1 1 471 . 1 1 43 43 PRO CG C 13 27.333 0.134 . 1 . . . 43 PRO CG . c16510_2ke1 1 472 . 1 1 44 44 SER H H 1 8.565 0.014 . 1 . . . 44 SER H . c16510_2ke1 1 473 . 1 1 44 44 SER HA H 1 4.321 0.007 . 1 . . . 44 SER HA . c16510_2ke1 1 474 . 1 1 44 44 SER HB2 H 1 3.854 0.002 . 1 . . . 44 SER HB2 . c16510_2ke1 1 475 . 1 1 44 44 SER HB3 H 1 3.854 0.002 . 1 . . . 44 SER HB3 . c16510_2ke1 1 476 . 1 1 44 44 SER C C 13 175.904 0.000 . 1 . . . 44 SER C . c16510_2ke1 1 477 . 1 1 44 44 SER CA C 13 58.677 0.071 . 1 . . . 44 SER CA . c16510_2ke1 1 478 . 1 1 44 44 SER CB C 13 63.973 0.083 . 1 . . . 44 SER CB . c16510_2ke1 1 479 . 1 1 44 44 SER N N 15 116.694 0.130 . 1 . . . 44 SER N . c16510_2ke1 1 480 . 1 1 45 45 GLY H H 1 8.522 0.007 . 1 . . . 45 GLY H . c16510_2ke1 1 481 . 1 1 45 45 GLY HA2 H 1 4.066 0.012 . 2 . . . 45 GLY HA2 . c16510_2ke1 1 482 . 1 1 45 45 GLY HA3 H 1 4.060 0.013 . 2 . . . 45 GLY HA3 . c16510_2ke1 1 483 . 1 1 45 45 GLY C C 13 173.825 0.000 . 1 . . . 45 GLY C . c16510_2ke1 1 484 . 1 1 45 45 GLY CA C 13 44.637 0.000 . 1 . . . 45 GLY CA . c16510_2ke1 1 485 . 1 1 45 45 GLY N N 15 110.742 0.023 . 1 . . . 45 GLY N . c16510_2ke1 1 486 . 1 1 46 46 THR H H 1 8.093 0.012 . 1 . . . 46 THR H . c16510_2ke1 1 487 . 1 1 46 46 THR HA H 1 4.342 0.011 . 1 . . . 46 THR HA . c16510_2ke1 1 488 . 1 1 46 46 THR HB H 1 4.109 0.016 . 1 . . . 46 THR HB . c16510_2ke1 1 489 . 1 1 46 46 THR HG21 H 1 1.197 0.010 . 1 . . . 46 THR HG21 . c16510_2ke1 1 490 . 1 1 46 46 THR HG22 H 1 1.197 0.010 . 1 . . . 46 THR HG22 . c16510_2ke1 1 491 . 1 1 46 46 THR HG23 H 1 1.197 0.010 . 1 . . . 46 THR HG23 . c16510_2ke1 1 492 . 1 1 46 46 THR C C 13 173.821 0.000 . 1 . . . 46 THR C . c16510_2ke1 1 493 . 1 1 46 46 THR CA C 13 62.624 0.198 . 1 . . . 46 THR CA . c16510_2ke1 1 494 . 1 1 46 46 THR CB C 13 69.625 0.077 . 1 . . . 46 THR CB . c16510_2ke1 1 495 . 1 1 46 46 THR CG2 C 13 20.821 0.096 . 1 . . . 46 THR CG2 . c16510_2ke1 1 496 . 1 1 46 46 THR N N 15 114.167 0.113 . 1 . . . 46 THR N . c16510_2ke1 1 497 . 1 1 47 47 TRP H H 1 8.940 0.006 . 1 . . . 47 TRP H . c16510_2ke1 1 498 . 1 1 47 47 TRP HA H 1 4.567 0.010 . 1 . . . 47 TRP HA . c16510_2ke1 1 499 . 1 1 47 47 TRP HB2 H 1 3.324 0.020 . 2 . . . 47 TRP HB2 . c16510_2ke1 1 500 . 1 1 47 47 TRP HB3 H 1 2.871 0.012 . 2 . . . 47 TRP HB3 . c16510_2ke1 1 501 . 1 1 47 47 TRP HD1 H 1 7.222 0.016 . 1 . . . 47 TRP HD1 . c16510_2ke1 1 502 . 1 1 47 47 TRP HE1 H 1 9.785 0.013 . 1 . . . 47 TRP HE1 . c16510_2ke1 1 503 . 1 1 47 47 TRP HE3 H 1 7.491 0.019 . 1 . . . 47 TRP HE3 . c16510_2ke1 1 504 . 1 1 47 47 TRP HH2 H 1 6.314 0.018 . 1 . . . 47 TRP HH2 . c16510_2ke1 1 505 . 1 1 47 47 TRP HZ2 H 1 7.096 0.010 . 1 . . . 47 TRP HZ2 . c16510_2ke1 1 506 . 1 1 47 47 TRP HZ3 H 1 6.674 0.027 . 1 . . . 47 TRP HZ3 . c16510_2ke1 1 507 . 1 1 47 47 TRP C C 13 172.739 0.000 . 1 . . . 47 TRP C . c16510_2ke1 1 508 . 1 1 47 47 TRP CA C 13 59.611 0.073 . 1 . . . 47 TRP CA . c16510_2ke1 1 509 . 1 1 47 47 TRP CB C 13 32.056 0.144 . 1 . . . 47 TRP CB . c16510_2ke1 1 510 . 1 1 47 47 TRP CD1 C 13 126.159 0.136 . 1 . . . 47 TRP CD1 . c16510_2ke1 1 511 . 1 1 47 47 TRP CE3 C 13 121.395 0.120 . 1 . . . 47 TRP CE3 . c16510_2ke1 1 512 . 1 1 47 47 TRP CH2 C 13 123.560 0.173 . 1 . . . 47 TRP CH2 . c16510_2ke1 1 513 . 1 1 47 47 TRP CZ2 C 13 114.387 0.070 . 1 . . . 47 TRP CZ2 . c16510_2ke1 1 514 . 1 1 47 47 TRP CZ3 C 13 119.482 0.146 . 1 . . . 47 TRP CZ3 . c16510_2ke1 1 515 . 1 1 47 47 TRP N N 15 128.718 0.111 . 1 . . . 47 TRP N . c16510_2ke1 1 516 . 1 1 47 47 TRP NE1 N 15 128.240 0.023 . 1 . . . 47 TRP NE1 . c16510_2ke1 1 517 . 1 1 48 48 ARG H H 1 6.830 0.021 . 1 . . . 48 ARG H . c16510_2ke1 1 518 . 1 1 48 48 ARG HA H 1 5.174 0.024 . 1 . . . 48 ARG HA . c16510_2ke1 1 519 . 1 1 48 48 ARG HB2 H 1 1.261 0.020 . 2 . . . 48 ARG HB2 . c16510_2ke1 1 520 . 1 1 48 48 ARG HB3 H 1 1.096 0.009 . 2 . . . 48 ARG HB3 . c16510_2ke1 1 521 . 1 1 48 48 ARG HD2 H 1 2.888 0.019 . 2 . . . 48 ARG HD2 . c16510_2ke1 1 522 . 1 1 48 48 ARG HD3 H 1 2.852 0.018 . 2 . . . 48 ARG HD3 . c16510_2ke1 1 523 . 1 1 48 48 ARG HG2 H 1 1.449 0.015 . 2 . . . 48 ARG HG2 . c16510_2ke1 1 524 . 1 1 48 48 ARG HG3 H 1 1.242 0.023 . 2 . . . 48 ARG HG3 . c16510_2ke1 1 525 . 1 1 48 48 ARG C C 13 173.514 0.000 . 1 . . . 48 ARG C . c16510_2ke1 1 526 . 1 1 48 48 ARG CA C 13 52.719 0.059 . 1 . . . 48 ARG CA . c16510_2ke1 1 527 . 1 1 48 48 ARG CB C 13 34.814 0.096 . 1 . . . 48 ARG CB . c16510_2ke1 1 528 . 1 1 48 48 ARG CD C 13 43.612 0.073 . 1 . . . 48 ARG CD . c16510_2ke1 1 529 . 1 1 48 48 ARG CG C 13 28.297 0.076 . 1 . . . 48 ARG CG . c16510_2ke1 1 530 . 1 1 48 48 ARG N N 15 124.292 0.079 . 1 . . . 48 ARG N . c16510_2ke1 1 531 . 1 1 49 49 CYS H H 1 9.123 0.013 . 1 . . . 49 CYS H . c16510_2ke1 1 532 . 1 1 49 49 CYS HA H 1 3.652 0.014 . 1 . . . 49 CYS HA . c16510_2ke1 1 533 . 1 1 49 49 CYS HB2 H 1 3.178 0.017 . 2 . . . 49 CYS HB2 . c16510_2ke1 1 534 . 1 1 49 49 CYS HB3 H 1 2.665 0.013 . 2 . . . 49 CYS HB3 . c16510_2ke1 1 535 . 1 1 49 49 CYS C C 13 174.624 0.000 . 1 . . . 49 CYS C . c16510_2ke1 1 536 . 1 1 49 49 CYS CA C 13 57.420 0.073 . 1 . . . 49 CYS CA . c16510_2ke1 1 537 . 1 1 49 49 CYS CB C 13 33.275 0.129 . 1 . . . 49 CYS CB . c16510_2ke1 1 538 . 1 1 49 49 CYS N N 15 124.327 0.052 . 1 . . . 49 CYS N . c16510_2ke1 1 539 . 1 1 50 50 SER H H 1 8.187 0.012 . 1 . . . 50 SER H . c16510_2ke1 1 540 . 1 1 50 50 SER HA H 1 3.905 0.018 . 1 . . . 50 SER HA . c16510_2ke1 1 541 . 1 1 50 50 SER HB2 H 1 3.878 0.000 . 1 . . . 50 SER HB2 . c16510_2ke1 1 542 . 1 1 50 50 SER HB3 H 1 3.878 0.000 . 1 . . . 50 SER HB3 . c16510_2ke1 1 543 . 1 1 50 50 SER C C 13 176.922 0.000 . 1 . . . 50 SER C . c16510_2ke1 1 544 . 1 1 50 50 SER CA C 13 61.757 0.087 . 1 . . . 50 SER CA . c16510_2ke1 1 545 . 1 1 50 50 SER N N 15 111.845 0.100 . 1 . . . 50 SER N . c16510_2ke1 1 546 . 1 1 51 51 SER H H 1 8.208 0.011 . 1 . . . 51 SER H . c16510_2ke1 1 547 . 1 1 51 51 SER HA H 1 4.288 0.014 . 1 . . . 51 SER HA . c16510_2ke1 1 548 . 1 1 51 51 SER HB2 H 1 3.938 0.026 . 2 . . . 51 SER HB2 . c16510_2ke1 1 549 . 1 1 51 51 SER HB3 H 1 3.920 0.020 . 2 . . . 51 SER HB3 . c16510_2ke1 1 550 . 1 1 51 51 SER C C 13 177.027 0.000 . 1 . . . 51 SER C . c16510_2ke1 1 551 . 1 1 51 51 SER CA C 13 62.122 0.071 . 1 . . . 51 SER CA . c16510_2ke1 1 552 . 1 1 51 51 SER CB C 13 63.112 0.000 . 1 . . . 51 SER CB . c16510_2ke1 1 553 . 1 1 51 51 SER N N 15 119.087 0.107 . 1 . . . 51 SER N . c16510_2ke1 1 554 . 1 1 52 52 CYS H H 1 8.335 0.008 . 1 . . . 52 CYS H . c16510_2ke1 1 555 . 1 1 52 52 CYS HA H 1 3.869 0.014 . 1 . . . 52 CYS HA . c16510_2ke1 1 556 . 1 1 52 52 CYS HB2 H 1 2.817 0.011 . 2 . . . 52 CYS HB2 . c16510_2ke1 1 557 . 1 1 52 52 CYS HB3 H 1 2.648 0.018 . 2 . . . 52 CYS HB3 . c16510_2ke1 1 558 . 1 1 52 52 CYS C C 13 178.037 0.000 . 1 . . . 52 CYS C . c16510_2ke1 1 559 . 1 1 52 52 CYS CA C 13 65.241 0.064 . 1 . . . 52 CYS CA . c16510_2ke1 1 560 . 1 1 52 52 CYS CB C 13 28.614 0.091 . 1 . . . 52 CYS CB . c16510_2ke1 1 561 . 1 1 52 52 CYS N N 15 125.985 0.122 . 1 . . . 52 CYS N . c16510_2ke1 1 562 . 1 1 53 53 LEU H H 1 8.065 0.011 . 1 . . . 53 LEU H . c16510_2ke1 1 563 . 1 1 53 53 LEU HA H 1 3.948 0.019 . 1 . . . 53 LEU HA . c16510_2ke1 1 564 . 1 1 53 53 LEU HB2 H 1 1.500 0.014 . 2 . . . 53 LEU HB2 . c16510_2ke1 1 565 . 1 1 53 53 LEU HB3 H 1 1.429 0.057 . 2 . . . 53 LEU HB3 . c16510_2ke1 1 566 . 1 1 53 53 LEU HD11 H 1 0.633 0.012 . 2 . . . 53 LEU HD11 . c16510_2ke1 1 567 . 1 1 53 53 LEU HD12 H 1 0.633 0.012 . 2 . . . 53 LEU HD12 . c16510_2ke1 1 568 . 1 1 53 53 LEU HD13 H 1 0.633 0.012 . 2 . . . 53 LEU HD13 . c16510_2ke1 1 569 . 1 1 53 53 LEU HD21 H 1 0.633 0.011 . 2 . . . 53 LEU HD21 . c16510_2ke1 1 570 . 1 1 53 53 LEU HD22 H 1 0.633 0.011 . 2 . . . 53 LEU HD22 . c16510_2ke1 1 571 . 1 1 53 53 LEU HD23 H 1 0.633 0.011 . 2 . . . 53 LEU HD23 . c16510_2ke1 1 572 . 1 1 53 53 LEU HG H 1 1.386 0.012 . 1 . . . 53 LEU HG . c16510_2ke1 1 573 . 1 1 53 53 LEU C C 13 178.450 0.000 . 1 . . . 53 LEU C . c16510_2ke1 1 574 . 1 1 53 53 LEU CA C 13 56.766 0.107 . 1 . . . 53 LEU CA . c16510_2ke1 1 575 . 1 1 53 53 LEU CB C 13 42.085 0.070 . 1 . . . 53 LEU CB . c16510_2ke1 1 576 . 1 1 53 53 LEU CD1 C 13 25.074 0.000 . 2 . . . 53 LEU CD1 . c16510_2ke1 1 577 . 1 1 53 53 LEU CD2 C 13 23.113 0.079 . 2 . . . 53 LEU CD2 . c16510_2ke1 1 578 . 1 1 53 53 LEU CG C 13 26.414 0.074 . 1 . . . 53 LEU CG . c16510_2ke1 1 579 . 1 1 53 53 LEU N N 15 119.565 0.084 . 1 . . . 53 LEU N . c16510_2ke1 1 580 . 1 1 54 54 GLN H H 1 7.637 0.006 . 1 . . . 54 GLN H . c16510_2ke1 1 581 . 1 1 54 54 GLN HA H 1 4.123 0.014 . 1 . . . 54 GLN HA . c16510_2ke1 1 582 . 1 1 54 54 GLN HB2 H 1 2.085 0.014 . 2 . . . 54 GLN HB2 . c16510_2ke1 1 583 . 1 1 54 54 GLN HB3 H 1 2.077 0.020 . 2 . . . 54 GLN HB3 . c16510_2ke1 1 584 . 1 1 54 54 GLN HE21 H 1 7.418 0.002 . 1 . . . 54 GLN HE21 . c16510_2ke1 1 585 . 1 1 54 54 GLN HE22 H 1 6.801 0.000 . 1 . . . 54 GLN HE22 . c16510_2ke1 1 586 . 1 1 54 54 GLN HG2 H 1 2.410 0.020 . 2 . . . 54 GLN HG2 . c16510_2ke1 1 587 . 1 1 54 54 GLN HG3 H 1 2.386 0.020 . 2 . . . 54 GLN HG3 . c16510_2ke1 1 588 . 1 1 54 54 GLN C C 13 176.202 0.000 . 1 . . . 54 GLN C . c16510_2ke1 1 589 . 1 1 54 54 GLN CA C 13 56.789 0.074 . 1 . . . 54 GLN CA . c16510_2ke1 1 590 . 1 1 54 54 GLN CB C 13 28.636 0.060 . 1 . . . 54 GLN CB . c16510_2ke1 1 591 . 1 1 54 54 GLN CG C 13 34.139 0.140 . 1 . . . 54 GLN CG . c16510_2ke1 1 592 . 1 1 54 54 GLN N N 15 118.355 0.089 . 1 . . . 54 GLN N . c16510_2ke1 1 593 . 1 1 54 54 GLN NE2 N 15 112.088 0.020 . 1 . . . 54 GLN NE2 . c16510_2ke1 1 594 . 1 1 55 55 ALA H H 1 7.674 0.021 . 1 . . . 55 ALA H . c16510_2ke1 1 595 . 1 1 55 55 ALA HA H 1 4.264 0.006 . 1 . . . 55 ALA HA . c16510_2ke1 1 596 . 1 1 55 55 ALA HB1 H 1 1.383 0.009 . 1 . . . 55 ALA HB1 . c16510_2ke1 1 597 . 1 1 55 55 ALA HB2 H 1 1.383 0.009 . 1 . . . 55 ALA HB2 . c16510_2ke1 1 598 . 1 1 55 55 ALA HB3 H 1 1.383 0.009 . 1 . . . 55 ALA HB3 . c16510_2ke1 1 599 . 1 1 55 55 ALA C C 13 177.986 0.000 . 1 . . . 55 ALA C . c16510_2ke1 1 600 . 1 1 55 55 ALA CB C 13 19.197 0.075 . 1 . . . 55 ALA CB . c16510_2ke1 1 601 . 1 1 55 55 ALA N N 15 122.512 0.050 . 1 . . . 55 ALA N . c16510_2ke1 1 602 . 1 1 56 56 THR H H 1 7.873 0.011 . 1 . . . 56 THR H . c16510_2ke1 1 603 . 1 1 56 56 THR HA H 1 4.240 0.028 . 1 . . . 56 THR HA . c16510_2ke1 1 604 . 1 1 56 56 THR HB H 1 4.159 0.015 . 1 . . . 56 THR HB . c16510_2ke1 1 605 . 1 1 56 56 THR HG21 H 1 1.153 0.011 . 1 . . . 56 THR HG21 . c16510_2ke1 1 606 . 1 1 56 56 THR HG22 H 1 1.153 0.011 . 1 . . . 56 THR HG22 . c16510_2ke1 1 607 . 1 1 56 56 THR HG23 H 1 1.153 0.011 . 1 . . . 56 THR HG23 . c16510_2ke1 1 608 . 1 1 56 56 THR C C 13 174.624 0.000 . 1 . . . 56 THR C . c16510_2ke1 1 609 . 1 1 56 56 THR CA C 13 62.472 0.062 . 1 . . . 56 THR CA . c16510_2ke1 1 610 . 1 1 56 56 THR CB C 13 70.018 0.018 . 1 . . . 56 THR CB . c16510_2ke1 1 611 . 1 1 56 56 THR CG2 C 13 21.367 0.053 . 1 . . . 56 THR CG2 . c16510_2ke1 1 612 . 1 1 56 56 THR N N 15 112.775 0.038 . 1 . . . 56 THR N . c16510_2ke1 1 613 . 1 1 57 57 VAL H H 1 7.997 0.007 . 1 . . . 57 VAL H . c16510_2ke1 1 614 . 1 1 57 57 VAL HA H 1 4.042 0.010 . 1 . . . 57 VAL HA . c16510_2ke1 1 615 . 1 1 57 57 VAL HB H 1 2.030 0.011 . 1 . . . 57 VAL HB . c16510_2ke1 1 616 . 1 1 57 57 VAL HG11 H 1 0.880 0.010 . 1 . . . 57 VAL HG11 . c16510_2ke1 1 617 . 1 1 57 57 VAL HG12 H 1 0.880 0.010 . 1 . . . 57 VAL HG12 . c16510_2ke1 1 618 . 1 1 57 57 VAL HG13 H 1 0.880 0.010 . 1 . . . 57 VAL HG13 . c16510_2ke1 1 619 . 1 1 57 57 VAL HG21 H 1 0.880 0.010 . 1 . . . 57 VAL HG21 . c16510_2ke1 1 620 . 1 1 57 57 VAL HG22 H 1 0.880 0.010 . 1 . . . 57 VAL HG22 . c16510_2ke1 1 621 . 1 1 57 57 VAL HG23 H 1 0.880 0.010 . 1 . . . 57 VAL HG23 . c16510_2ke1 1 622 . 1 1 57 57 VAL C C 13 175.968 0.000 . 1 . . . 57 VAL C . c16510_2ke1 1 623 . 1 1 57 57 VAL CA C 13 62.410 0.075 . 1 . . . 57 VAL CA . c16510_2ke1 1 624 . 1 1 57 57 VAL CB C 13 32.704 0.086 . 1 . . . 57 VAL CB . c16510_2ke1 1 625 . 1 1 57 57 VAL CG1 C 13 21.077 0.000 . 2 . . . 57 VAL CG1 . c16510_2ke1 1 626 . 1 1 57 57 VAL CG2 C 13 21.102 0.035 . 2 . . . 57 VAL CG2 . c16510_2ke1 1 627 . 1 1 57 57 VAL N N 15 122.723 0.103 . 1 . . . 57 VAL N . c16510_2ke1 1 628 . 1 1 58 58 GLN H H 1 8.355 0.002 . 1 . . . 58 GLN H . c16510_2ke1 1 629 . 1 1 58 58 GLN HA H 1 4.275 0.011 . 1 . . . 58 GLN HA . c16510_2ke1 1 630 . 1 1 58 58 GLN HB2 H 1 1.909 0.000 . 1 . . . 58 GLN HB2 . c16510_2ke1 1 631 . 1 1 58 58 GLN HB3 H 1 1.909 0.000 . 1 . . . 58 GLN HB3 . c16510_2ke1 1 632 . 1 1 58 58 GLN HE21 H 1 7.502 0.003 . 1 . . . 58 GLN HE21 . c16510_2ke1 1 633 . 1 1 58 58 GLN HE22 H 1 6.818 0.002 . 1 . . . 58 GLN HE22 . c16510_2ke1 1 634 . 1 1 58 58 GLN HG2 H 1 2.303 0.006 . 1 . . . 58 GLN HG2 . c16510_2ke1 1 635 . 1 1 58 58 GLN HG3 H 1 2.303 0.006 . 1 . . . 58 GLN HG3 . c16510_2ke1 1 636 . 1 1 58 58 GLN C C 13 175.674 0.000 . 1 . . . 58 GLN C . c16510_2ke1 1 637 . 1 1 58 58 GLN CB C 13 29.142 0.000 . 1 . . . 58 GLN CB . c16510_2ke1 1 638 . 1 1 58 58 GLN CG C 13 33.626 0.071 . 1 . . . 58 GLN CG . c16510_2ke1 1 639 . 1 1 58 58 GLN N N 15 123.866 0.089 . 1 . . . 58 GLN N . c16510_2ke1 1 640 . 1 1 58 58 GLN NE2 N 15 112.594 0.011 . 1 . . . 58 GLN NE2 . c16510_2ke1 1 641 . 1 1 59 59 GLU H H 1 8.396 0.001 . 1 . . . 59 GLU H . c16510_2ke1 1 642 . 1 1 59 59 GLU HA H 1 4.247 0.020 . 1 . . . 59 GLU HA . c16510_2ke1 1 643 . 1 1 59 59 GLU HB2 H 1 2.191 0.016 . 2 . . . 59 GLU HB2 . c16510_2ke1 1 644 . 1 1 59 59 GLU HB3 H 1 1.948 0.009 . 2 . . . 59 GLU HB3 . c16510_2ke1 1 645 . 1 1 59 59 GLU HG2 H 1 2.245 0.016 . 2 . . . 59 GLU HG2 . c16510_2ke1 1 646 . 1 1 59 59 GLU HG3 H 1 2.186 0.014 . 2 . . . 59 GLU HG3 . c16510_2ke1 1 647 . 1 1 59 59 GLU C C 13 176.231 0.000 . 1 . . . 59 GLU C . c16510_2ke1 1 648 . 1 1 59 59 GLU CB C 13 29.666 0.000 . 1 . . . 59 GLU CB . c16510_2ke1 1 649 . 1 1 59 59 GLU CG C 13 36.077 0.113 . 1 . . . 59 GLU CG . c16510_2ke1 1 650 . 1 1 59 59 GLU N N 15 122.926 0.116 . 1 . . . 59 GLU N . c16510_2ke1 1 651 . 1 1 60 60 VAL H H 1 8.239 0.006 . 1 . . . 60 VAL H . c16510_2ke1 1 652 . 1 1 60 60 VAL HA H 1 4.038 0.007 . 1 . . . 60 VAL HA . c16510_2ke1 1 653 . 1 1 60 60 VAL HB H 1 2.004 0.020 . 1 . . . 60 VAL HB . c16510_2ke1 1 654 . 1 1 60 60 VAL HG11 H 1 0.873 0.015 . 2 . . . 60 VAL HG11 . c16510_2ke1 1 655 . 1 1 60 60 VAL HG12 H 1 0.873 0.015 . 2 . . . 60 VAL HG12 . c16510_2ke1 1 656 . 1 1 60 60 VAL HG13 H 1 0.873 0.015 . 2 . . . 60 VAL HG13 . c16510_2ke1 1 657 . 1 1 60 60 VAL HG21 H 1 0.878 0.005 . 2 . . . 60 VAL HG21 . c16510_2ke1 1 658 . 1 1 60 60 VAL HG22 H 1 0.878 0.005 . 2 . . . 60 VAL HG22 . c16510_2ke1 1 659 . 1 1 60 60 VAL HG23 H 1 0.878 0.005 . 2 . . . 60 VAL HG23 . c16510_2ke1 1 660 . 1 1 60 60 VAL C C 13 175.873 0.000 . 1 . . . 60 VAL C . c16510_2ke1 1 661 . 1 1 60 60 VAL CA C 13 62.410 0.075 . 1 . . . 60 VAL CA . c16510_2ke1 1 662 . 1 1 60 60 VAL CB C 13 32.726 0.109 . 1 . . . 60 VAL CB . c16510_2ke1 1 663 . 1 1 60 60 VAL CG1 C 13 21.077 0.000 . 1 . . . 60 VAL CG1 . c16510_2ke1 1 664 . 1 1 60 60 VAL CG2 C 13 21.077 0.000 . 1 . . . 60 VAL CG2 . c16510_2ke1 1 665 . 1 1 60 60 VAL N N 15 122.042 0.100 . 1 . . . 60 VAL N . c16510_2ke1 1 666 . 1 1 61 61 GLN H H 1 8.454 0.006 . 1 . . . 61 GLN H . c16510_2ke1 1 667 . 1 1 61 61 GLN HA H 1 4.579 0.018 . 1 . . . 61 GLN HA . c16510_2ke1 1 668 . 1 1 61 61 GLN HB2 H 1 2.020 0.029 . 2 . . . 61 GLN HB2 . c16510_2ke1 1 669 . 1 1 61 61 GLN HB3 H 1 1.881 0.005 . 2 . . . 61 GLN HB3 . c16510_2ke1 1 670 . 1 1 61 61 GLN HG2 H 1 2.351 0.007 . 2 . . . 61 GLN HG2 . c16510_2ke1 1 671 . 1 1 61 61 GLN HG3 H 1 2.308 0.006 . 2 . . . 61 GLN HG3 . c16510_2ke1 1 672 . 1 1 61 61 GLN CA C 13 53.272 0.130 . 1 . . . 61 GLN CA . c16510_2ke1 1 673 . 1 1 61 61 GLN CB C 13 28.885 0.000 . 1 . . . 61 GLN CB . c16510_2ke1 1 674 . 1 1 61 61 GLN CG C 13 33.601 0.075 . 1 . . . 61 GLN CG . c16510_2ke1 1 675 . 1 1 61 61 GLN N N 15 125.674 0.094 . 1 . . . 61 GLN N . c16510_2ke1 1 676 . 1 1 62 62 PRO HA H 1 4.344 0.037 . 1 . . . 62 PRO HA . c16510_2ke1 1 677 . 1 1 62 62 PRO HB2 H 1 2.244 0.015 . 2 . . . 62 PRO HB2 . c16510_2ke1 1 678 . 1 1 62 62 PRO HB3 H 1 1.835 0.007 . 2 . . . 62 PRO HB3 . c16510_2ke1 1 679 . 1 1 62 62 PRO HD2 H 1 3.769 0.035 . 2 . . . 62 PRO HD2 . c16510_2ke1 1 680 . 1 1 62 62 PRO HD3 H 1 3.621 0.006 . 2 . . . 62 PRO HD3 . c16510_2ke1 1 681 . 1 1 62 62 PRO HG2 H 1 1.989 0.026 . 1 . . . 62 PRO HG2 . c16510_2ke1 1 682 . 1 1 62 62 PRO HG3 H 1 1.989 0.026 . 1 . . . 62 PRO HG3 . c16510_2ke1 1 683 . 1 1 62 62 PRO C C 13 176.601 0.000 . 1 . . . 62 PRO C . c16510_2ke1 1 684 . 1 1 62 62 PRO CA C 13 63.127 0.062 . 1 . . . 62 PRO CA . c16510_2ke1 1 685 . 1 1 62 62 PRO CB C 13 32.228 0.168 . 1 . . . 62 PRO CB . c16510_2ke1 1 686 . 1 1 62 62 PRO CD C 13 50.122 0.000 . 1 . . . 62 PRO CD . c16510_2ke1 1 687 . 1 1 62 62 PRO CG C 13 27.492 0.168 . 1 . . . 62 PRO CG . c16510_2ke1 1 688 . 1 1 63 63 ARG H H 1 8.430 0.002 . 1 . . . 63 ARG H . c16510_2ke1 1 689 . 1 1 63 63 ARG HA H 1 4.248 0.013 . 1 . . . 63 ARG HA . c16510_2ke1 1 690 . 1 1 63 63 ARG HB2 H 1 1.730 0.000 . 1 . . . 63 ARG HB2 . c16510_2ke1 1 691 . 1 1 63 63 ARG HB3 H 1 1.730 0.000 . 1 . . . 63 ARG HB3 . c16510_2ke1 1 692 . 1 1 63 63 ARG HD2 H 1 3.149 0.011 . 1 . . . 63 ARG HD2 . c16510_2ke1 1 693 . 1 1 63 63 ARG HD3 H 1 3.149 0.011 . 1 . . . 63 ARG HD3 . c16510_2ke1 1 694 . 1 1 63 63 ARG HG2 H 1 1.620 0.000 . 1 . . . 63 ARG HG2 . c16510_2ke1 1 695 . 1 1 63 63 ARG HG3 H 1 1.620 0.000 . 1 . . . 63 ARG HG3 . c16510_2ke1 1 696 . 1 1 63 63 ARG C C 13 175.872 0.000 . 1 . . . 63 ARG C . c16510_2ke1 1 697 . 1 1 63 63 ARG CA C 13 56.217 0.004 . 1 . . . 63 ARG CA . c16510_2ke1 1 698 . 1 1 63 63 ARG CD C 13 42.920 0.000 . 1 . . . 63 ARG CD . c16510_2ke1 1 699 . 1 1 63 63 ARG N N 15 122.042 0.100 . 1 . . . 63 ARG N . c16510_2ke1 1 700 . 1 1 64 64 ALA H H 1 8.438 0.003 . 1 . . . 64 ALA H . c16510_2ke1 1 701 . 1 1 64 64 ALA HA H 1 4.254 0.003 . 1 . . . 64 ALA HA . c16510_2ke1 1 702 . 1 1 64 64 ALA HB1 H 1 1.341 0.006 . 1 . . . 64 ALA HB1 . c16510_2ke1 1 703 . 1 1 64 64 ALA HB2 H 1 1.341 0.006 . 1 . . . 64 ALA HB2 . c16510_2ke1 1 704 . 1 1 64 64 ALA HB3 H 1 1.341 0.006 . 1 . . . 64 ALA HB3 . c16510_2ke1 1 705 . 1 1 64 64 ALA C C 13 177.444 0.000 . 1 . . . 64 ALA C . c16510_2ke1 1 706 . 1 1 64 64 ALA CA C 13 52.378 0.000 . 1 . . . 64 ALA CA . c16510_2ke1 1 707 . 1 1 64 64 ALA CB C 13 19.125 0.000 . 1 . . . 64 ALA CB . c16510_2ke1 1 708 . 1 1 64 64 ALA N N 15 126.572 0.065 . 1 . . . 64 ALA N . c16510_2ke1 1 709 . 1 1 65 65 GLU H H 1 8.399 0.001 . 1 . . . 65 GLU H . c16510_2ke1 1 710 . 1 1 65 65 GLU HA H 1 4.246 0.011 . 1 . . . 65 GLU HA . c16510_2ke1 1 711 . 1 1 65 65 GLU HB2 H 1 1.885 0.015 . 1 . . . 65 GLU HB2 . c16510_2ke1 1 712 . 1 1 65 65 GLU HB3 H 1 1.885 0.015 . 1 . . . 65 GLU HB3 . c16510_2ke1 1 713 . 1 1 65 65 GLU HG2 H 1 2.049 0.000 . 1 . . . 65 GLU HG2 . c16510_2ke1 1 714 . 1 1 65 65 GLU HG3 H 1 2.049 0.000 . 1 . . . 65 GLU HG3 . c16510_2ke1 1 715 . 1 1 65 65 GLU C C 13 175.486 0.000 . 1 . . . 65 GLU C . c16510_2ke1 1 716 . 1 1 65 65 GLU CA C 13 56.460 0.075 . 1 . . . 65 GLU CA . c16510_2ke1 1 717 . 1 1 65 65 GLU N N 15 120.660 0.116 . 1 . . . 65 GLU N . c16510_2ke1 1 718 . 1 1 66 66 GLU H H 1 7.970 0.003 . 1 . . . 66 GLU H . c16510_2ke1 1 719 . 1 1 66 66 GLU HA H 1 4.231 0.000 . 1 . . . 66 GLU HA . c16510_2ke1 1 720 . 1 1 66 66 GLU N N 15 126.768 0.153 . 1 . . . 66 GLU N . c16510_2ke1 1 721 . 2 2 1 1 ALA HA H 1 4.281 0.007 . 1 . . . 69 ALA HA . c16510_2ke1 1 722 . 2 2 1 1 ALA HB1 H 1 1.448 0.014 . 1 . . . 69 ALA HB1 . c16510_2ke1 1 723 . 2 2 1 1 ALA HB2 H 1 1.448 0.014 . 1 . . . 69 ALA HB2 . c16510_2ke1 1 724 . 2 2 1 1 ALA HB3 H 1 1.448 0.014 . 1 . . . 69 ALA HB3 . c16510_2ke1 1 725 . 2 2 2 2 ARG H H 1 9.763 0.007 . 1 . . . 70 ARG H . c16510_2ke1 1 726 . 2 2 2 2 ARG HA H 1 4.217 0.005 . 1 . . . 70 ARG HA . c16510_2ke1 1 727 . 2 2 2 2 ARG HB2 H 1 1.656 0.013 . 2 . . . 70 ARG HB2 . c16510_2ke1 1 728 . 2 2 2 2 ARG HB3 H 1 1.763 0.010 . 2 . . . 70 ARG HB3 . c16510_2ke1 1 729 . 2 2 2 2 ARG HD2 H 1 2.956 0.008 . 2 . . . 70 ARG HD2 . c16510_2ke1 1 730 . 2 2 2 2 ARG HD3 H 1 2.958 0.009 . 2 . . . 70 ARG HD3 . c16510_2ke1 1 731 . 2 2 2 2 ARG HE H 1 7.163 0.012 . 1 . . . 70 ARG HE . c16510_2ke1 1 732 . 2 2 2 2 ARG HG2 H 1 1.455 0.013 . 2 . . . 70 ARG HG2 . c16510_2ke1 1 733 . 2 2 2 2 ARG HG3 H 1 1.660 0.009 . 2 . . . 70 ARG HG3 . c16510_2ke1 1 734 . 2 2 3 3 THR H H 1 8.081 0.004 . 1 . . . 71 THR H . c16510_2ke1 1 735 . 2 2 3 3 THR HA H 1 5.507 0.016 . 1 . . . 71 THR HA . c16510_2ke1 1 736 . 2 2 3 3 THR HB H 1 4.062 0.006 . 1 . . . 71 THR HB . c16510_2ke1 1 737 . 2 2 3 3 THR HG1 H 1 4.500 0.006 . 1 . . . 71 THR HG1 . c16510_2ke1 1 738 . 2 2 3 3 THR HG21 H 1 0.978 0.013 . 1 . . . 71 THR HG21 . c16510_2ke1 1 739 . 2 2 3 3 THR HG22 H 1 0.978 0.013 . 1 . . . 71 THR HG22 . c16510_2ke1 1 740 . 2 2 3 3 THR HG23 H 1 0.978 0.013 . 1 . . . 71 THR HG23 . c16510_2ke1 1 741 . 2 2 4 4 LYS H H 1 8.860 0.023 . 1 . . . 72 LYS H . c16510_2ke1 1 742 . 2 2 4 4 LYS HA H 1 4.622 0.007 . 1 . . . 72 LYS HA . c16510_2ke1 1 743 . 2 2 4 4 LYS HB2 H 1 1.620 0.012 . 1 . . . 72 LYS HB2 . c16510_2ke1 1 744 . 2 2 4 4 LYS HB3 H 1 1.620 0.012 . 1 . . . 72 LYS HB3 . c16510_2ke1 1 745 . 2 2 4 4 LYS HD2 H 1 1.390 0.017 . 1 . . . 72 LYS HD2 . c16510_2ke1 1 746 . 2 2 4 4 LYS HD3 H 1 1.390 0.017 . 1 . . . 72 LYS HD3 . c16510_2ke1 1 747 . 2 2 4 4 LYS HE2 H 1 2.933 0.015 . 1 . . . 72 LYS HE2 . c16510_2ke1 1 748 . 2 2 4 4 LYS HE3 H 1 2.933 0.015 . 1 . . . 72 LYS HE3 . c16510_2ke1 1 749 . 2 2 4 4 LYS HG2 H 1 1.499 0.013 . 1 . . . 72 LYS HG2 . c16510_2ke1 1 750 . 2 2 4 4 LYS HG3 H 1 1.499 0.013 . 1 . . . 72 LYS HG3 . c16510_2ke1 1 751 . 2 2 5 5 GLN H H 1 8.400 0.006 . 1 . . . 73 GLN H . c16510_2ke1 1 752 . 2 2 5 5 GLN HA H 1 5.148 0.011 . 1 . . . 73 GLN HA . c16510_2ke1 1 753 . 2 2 5 5 GLN HB2 H 1 1.872 0.009 . 1 . . . 73 GLN HB2 . c16510_2ke1 1 754 . 2 2 5 5 GLN HB3 H 1 1.872 0.009 . 1 . . . 73 GLN HB3 . c16510_2ke1 1 755 . 2 2 5 5 GLN HE21 H 1 6.793 0.005 . 1 . . . 73 GLN HE21 . c16510_2ke1 1 756 . 2 2 5 5 GLN HE22 H 1 7.553 0.004 . 1 . . . 73 GLN HE22 . c16510_2ke1 1 757 . 2 2 5 5 GLN HG2 H 1 2.177 0.003 . 1 . . . 73 GLN HG2 . c16510_2ke1 1 758 . 2 2 5 5 GLN HG3 H 1 2.177 0.003 . 1 . . . 73 GLN HG3 . c16510_2ke1 1 759 . 2 2 6 6 THR H H 1 9.201 0.015 . 1 . . . 74 THR H . c16510_2ke1 1 760 . 2 2 6 6 THR HA H 1 4.670 0.011 . 1 . . . 74 THR HA . c16510_2ke1 1 761 . 2 2 6 6 THR HB H 1 4.503 0.014 . 1 . . . 74 THR HB . c16510_2ke1 1 762 . 2 2 6 6 THR HG21 H 1 1.038 0.021 . 1 . . . 74 THR HG21 . c16510_2ke1 1 763 . 2 2 6 6 THR HG22 H 1 1.038 0.021 . 1 . . . 74 THR HG22 . c16510_2ke1 1 764 . 2 2 6 6 THR HG23 H 1 1.038 0.021 . 1 . . . 74 THR HG23 . c16510_2ke1 1 765 . 2 2 7 7 ALA H H 1 8.432 0.005 . 1 . . . 75 ALA H . c16510_2ke1 1 766 . 2 2 7 7 ALA HA H 1 4.169 0.004 . 1 . . . 75 ALA HA . c16510_2ke1 1 767 . 2 2 7 7 ALA HB1 H 1 1.317 0.004 . 1 . . . 75 ALA HB1 . c16510_2ke1 1 768 . 2 2 7 7 ALA HB2 H 1 1.317 0.004 . 1 . . . 75 ALA HB2 . c16510_2ke1 1 769 . 2 2 7 7 ALA HB3 H 1 1.317 0.004 . 1 . . . 75 ALA HB3 . c16510_2ke1 1 770 . 2 2 8 8 ARG H H 1 8.334 0.019 . 1 . . . 76 ARG H . c16510_2ke1 1 771 . 2 2 8 8 ARG HA H 1 4.215 0.020 . 1 . . . 76 ARG HA . c16510_2ke1 1 772 . 2 2 8 8 ARG HB2 H 1 1.655 0.013 . 2 . . . 76 ARG HB2 . c16510_2ke1 1 773 . 2 2 8 8 ARG HB3 H 1 1.922 0.016 . 2 . . . 76 ARG HB3 . c16510_2ke1 1 774 . 2 2 8 8 ARG HD2 H 1 3.124 0.013 . 1 . . . 76 ARG HD2 . c16510_2ke1 1 775 . 2 2 8 8 ARG HD3 H 1 3.124 0.013 . 1 . . . 76 ARG HD3 . c16510_2ke1 1 776 . 2 2 8 8 ARG HE H 1 7.214 0.006 . 1 . . . 76 ARG HE . c16510_2ke1 1 777 . 2 2 8 8 ARG HG2 H 1 1.456 0.011 . 2 . . . 76 ARG HG2 . c16510_2ke1 1 778 . 2 2 8 8 ARG HG3 H 1 1.653 0.015 . 2 . . . 76 ARG HG3 . c16510_2ke1 1 779 . 2 2 9 9 LYS H H 1 8.242 0.008 . 1 . . . 77 LYS H . c16510_2ke1 1 780 . 2 2 9 9 LYS HA H 1 4.087 0.001 . 1 . . . 77 LYS HA . c16510_2ke1 1 781 . 2 2 9 9 LYS HB2 H 1 1.570 0.007 . 2 . . . 77 LYS HB2 . c16510_2ke1 1 782 . 2 2 9 9 LYS HB3 H 1 1.763 0.005 . 2 . . . 77 LYS HB3 . c16510_2ke1 1 783 . 2 2 9 9 LYS HE2 H 1 3.149 0.008 . 1 . . . 77 LYS HE2 . c16510_2ke1 1 784 . 2 2 9 9 LYS HE3 H 1 3.149 0.008 . 1 . . . 77 LYS HE3 . c16510_2ke1 1 785 . 2 2 9 9 LYS HG2 H 1 1.570 0.007 . 2 . . . 77 LYS HG2 . c16510_2ke1 1 786 . 2 2 9 9 LYS HG3 H 1 1.656 0.017 . 2 . . . 77 LYS HG3 . c16510_2ke1 1 787 . 2 2 10 10 SER H H 1 8.054 0.004 . 1 . . . 78 SER H . c16510_2ke1 1 788 . 2 2 10 10 SER HA H 1 4.216 0.009 . 1 . . . 78 SER HA . c16510_2ke1 1 789 . 2 2 10 10 SER HB2 H 1 3.777 0.003 . 1 . . . 78 SER HB2 . c16510_2ke1 1 790 . 2 2 10 10 SER HB3 H 1 3.777 0.003 . 1 . . . 78 SER HB3 . c16510_2ke1 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c16510_2ke1 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 2 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c16510_2ke1 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c16510_2ke1 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c16510_2ke1 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C -2.484 -21.057 6.169 . . . 1.0 . . . . . . . . . . . . A . 289 GLY C . . . . . . . . . c16510_2ke1 1 . 1 . 2 . 1 1 1 GLY CA C -2.956 -22.352 5.551 . . . 1.0 . . . . . . . . . . . . A . 289 GLY CA . . . . . . . . . c16510_2ke1 1 . 1 . 3 . 1 1 1 GLY H1 H -4.993 -22.036 5.865 . . . 1.0 . . . . . . . . . . . . A . 289 GLY H1 . . . . . . . . . c16510_2ke1 1 . 1 . 4 . 1 1 1 GLY H2 H -4.224 -22.892 7.110 . . . 1.0 . . . . . . . . . . . . A . 289 GLY H2 . . . . . . . . . c16510_2ke1 1 . 1 . 5 . 1 1 1 GLY H3 H -4.575 -23.666 5.646 . . . 1.0 . . . . . . . . . . . . A . 289 GLY H3 . . . . . . . . . c16510_2ke1 1 . 1 . 6 . 1 1 1 GLY HA2 H -2.235 -23.126 5.766 . . . 1.0 . . . . . . . . . . . . A . 289 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 1 . 7 . 1 1 1 GLY HA3 H -3.028 -22.225 4.481 . . . 1.0 . . . . . . . . . . . . A . 289 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 1 . 8 . 1 1 1 GLY N N -4.278 -22.765 6.077 . . . 1.0 . . . . . . . . . . . . A . 289 GLY N . . . . . . . . . c16510_2ke1 1 . 1 . 9 . 1 1 1 GLY O O -3.296 -20.246 6.617 . . . 1.0 . . . . . . . . . . . . A . 289 GLY O . . . . . . . . . c16510_2ke1 1 . 1 . 10 . 1 1 2 ALA C C -0.586 -18.538 5.739 . . . 1.0 . . . . . . . . . . . . A . 290 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 11 . 1 1 2 ALA CA C -0.599 -19.654 6.768 . . . 1.0 . . . . . . . . . . . . A . 290 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 12 . 1 1 2 ALA CB C 0.810 -19.924 7.276 . . . 1.0 . . . . . . . . . . . . A . 290 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 13 . 1 1 2 ALA H H -0.579 -21.526 5.784 . . . 1.0 . . . . . . . . . . . . A . 290 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 14 . 1 1 2 ALA HA H -1.211 -19.356 7.606 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 15 . 1 1 2 ALA HB1 H 1.202 -19.033 7.746 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 16 . 1 1 2 ALA HB2 H 1.444 -20.201 6.447 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 17 . 1 1 2 ALA HB3 H 0.786 -20.729 7.996 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 18 . 1 1 2 ALA N N -1.175 -20.857 6.191 . . . 1.0 . . . . . . . . . . . . A . 290 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 19 . 1 1 2 ALA O O -0.228 -18.756 4.579 . . . 1.0 . . . . . . . . . . . . A . 290 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 20 . 1 1 3 MET C C 0.380 -15.592 5.136 . . . 1.0 . . . . . . . . . . . . A . 291 MET C . . . . . . . . . c16510_2ke1 1 . 1 . 21 . 1 1 3 MET CA C -1.006 -16.201 5.264 . . . 1.0 . . . . . . . . . . . . A . 291 MET CA . . . . . . . . . c16510_2ke1 1 . 1 . 22 . 1 1 3 MET CB C -2.010 -15.151 5.746 . . . 1.0 . . . . . . . . . . . . A . 291 MET CB . . . . . . . . . c16510_2ke1 1 . 1 . 23 . 1 1 3 MET CE C -3.598 -14.467 3.099 . . . 1.0 . . . . . . . . . . . . A . 291 MET CE . . . . . . . . . c16510_2ke1 1 . 1 . 24 . 1 1 3 MET CG C -3.458 -15.597 5.631 . . . 1.0 . . . . . . . . . . . . A . 291 MET CG . . . . . . . . . c16510_2ke1 1 . 1 . 25 . 1 1 3 MET H H -1.243 -17.230 7.101 . . . 1.0 . . . . . . . . . . . . A . 291 MET H . . . . . . . . . c16510_2ke1 1 . 1 . 26 . 1 1 3 MET HA H -1.315 -16.556 4.292 . . . 1.0 . . . . . . . . . . . . A . 291 MET HA . . . . . . . . . c16510_2ke1 1 . 1 . 27 . 1 1 3 MET HB2 H -1.809 -14.925 6.782 . . . 1.0 . . . . . . . . . . . . A . 291 MET HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 28 . 1 1 3 MET HB3 H -1.886 -14.253 5.159 . . . 1.0 . . . . . . . . . . . . A . 291 MET HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 29 . 1 1 3 MET HE1 H -3.846 -14.563 2.052 . . . 1.0 . . . . . . . . . . . . A . 291 MET HE1 . . . . . . . . . c16510_2ke1 1 . 1 . 30 . 1 1 3 MET HE2 H -2.551 -14.218 3.196 . . . 1.0 . . . . . . . . . . . . A . 291 MET HE2 . . . . . . . . . c16510_2ke1 1 . 1 . 31 . 1 1 3 MET HE3 H -4.197 -13.685 3.542 . . . 1.0 . . . . . . . . . . . . A . 291 MET HE3 . . . . . . . . . c16510_2ke1 1 . 1 . 32 . 1 1 3 MET HG2 H -3.600 -16.470 6.250 . . . 1.0 . . . . . . . . . . . . A . 291 MET HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 33 . 1 1 3 MET HG3 H -4.098 -14.800 5.980 . . . 1.0 . . . . . . . . . . . . A . 291 MET HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 34 . 1 1 3 MET N N -0.977 -17.346 6.160 . . . 1.0 . . . . . . . . . . . . A . 291 MET N . . . . . . . . . c16510_2ke1 1 . 1 . 35 . 1 1 3 MET O O 0.652 -14.509 5.659 . . . 1.0 . . . . . . . . . . . . A . 291 MET O . . . . . . . . . c16510_2ke1 1 . 1 . 36 . 1 1 3 MET SD S -3.924 -16.017 3.941 . . . 1.0 . . . . . . . . . . . . A . 291 MET SD . . . . . . . . . c16510_2ke1 1 . 1 . 37 . 1 1 4 ALA C C 2.637 -14.834 3.079 . . . 1.0 . . . . . . . . . . . . A . 292 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 38 . 1 1 4 ALA CA C 2.614 -15.843 4.216 . . . 1.0 . . . . . . . . . . . . A . 292 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 39 . 1 1 4 ALA CB C 3.532 -17.021 3.916 . . . 1.0 . . . . . . . . . . . . A . 292 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 40 . 1 1 4 ALA H H 0.967 -17.163 4.056 . . . 1.0 . . . . . . . . . . . . A . 292 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 41 . 1 1 4 ALA HA H 2.960 -15.362 5.120 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 42 . 1 1 4 ALA HB1 H 3.518 -17.709 4.749 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 43 . 1 1 4 ALA HB2 H 4.540 -16.663 3.762 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 44 . 1 1 4 ALA HB3 H 3.189 -17.528 3.026 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 45 . 1 1 4 ALA N N 1.254 -16.304 4.441 . . . 1.0 . . . . . . . . . . . . A . 292 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 46 . 1 1 4 ALA O O 2.888 -15.184 1.923 . . . 1.0 . . . . . . . . . . . . A . 292 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 47 . 1 1 5 GLN C C 3.632 -12.138 1.888 . . . 1.0 . . . . . . . . . . . . A . 293 GLN C . . . . . . . . . c16510_2ke1 1 . 1 . 48 . 1 1 5 GLN CA C 2.261 -12.521 2.428 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CA . . . . . . . . . c16510_2ke1 1 . 1 . 49 . 1 1 5 GLN CB C 1.576 -11.291 3.028 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CB . . . . . . . . . c16510_2ke1 1 . 1 . 50 . 1 1 5 GLN CD C -0.683 -11.799 2.028 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CD . . . . . . . . . c16510_2ke1 1 . 1 . 51 . 1 1 5 GLN CG C 0.093 -11.497 3.296 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CG . . . . . . . . . c16510_2ke1 1 . 1 . 52 . 1 1 5 GLN H H 2.204 -13.375 4.364 . . . 1.0 . . . . . . . . . . . . A . 293 GLN H . . . . . . . . . c16510_2ke1 1 . 1 . 53 . 1 1 5 GLN HA H 1.659 -12.888 1.611 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HA . . . . . . . . . c16510_2ke1 1 . 1 . 54 . 1 1 5 GLN HB2 H 2.057 -11.040 3.962 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 55 . 1 1 5 GLN HB3 H 1.684 -10.463 2.343 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 56 . 1 1 5 GLN HE21 H -1.052 -9.862 1.754 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 1 . 57 . 1 1 5 GLN HE22 H -1.701 -10.932 0.559 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 1 . 58 . 1 1 5 GLN HG2 H -0.026 -12.324 3.979 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 59 . 1 1 5 GLN HG3 H -0.307 -10.599 3.742 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 60 . 1 1 5 GLN N N 2.353 -13.585 3.417 . . . 1.0 . . . . . . . . . . . . A . 293 GLN N . . . . . . . . . c16510_2ke1 1 . 1 . 61 . 1 1 5 GLN NE2 N -1.197 -10.762 1.383 . . . 1.0 . . . . . . . . . . . . A . 293 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 1 . 62 . 1 1 5 GLN O O 4.669 -12.498 2.454 . . . 1.0 . . . . . . . . . . . . A . 293 GLN O . . . . . . . . . c16510_2ke1 1 . 1 . 63 . 1 1 5 GLN OE1 O -0.823 -12.957 1.630 . . . 1.0 . . . . . . . . . . . . A . 293 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 64 . 1 1 6 LYS C C 4.768 -9.428 -0.015 . . . 1.0 . . . . . . . . . . . . A . 294 LYS C . . . . . . . . . c16510_2ke1 1 . 1 . 65 . 1 1 6 LYS CA C 4.830 -10.934 0.146 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 66 . 1 1 6 LYS CB C 4.993 -11.623 -1.215 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 67 . 1 1 6 LYS CD C 7.454 -11.168 -1.589 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CD . . . . . . . . . c16510_2ke1 1 . 1 . 68 . 1 1 6 LYS CE C 8.469 -10.543 -2.531 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CE . . . . . . . . . c16510_2ke1 1 . 1 . 69 . 1 1 6 LYS CG C 6.039 -10.991 -2.121 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CG . . . . . . . . . c16510_2ke1 1 . 1 . 70 . 1 1 6 LYS H H 2.759 -11.080 0.438 . . . 1.0 . . . . . . . . . . . . A . 294 LYS H . . . . . . . . . c16510_2ke1 1 . 1 . 71 . 1 1 6 LYS HA H 5.670 -11.184 0.775 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 72 . 1 1 6 LYS HB2 H 5.280 -12.648 -1.047 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 73 . 1 1 6 LYS HB3 H 4.044 -11.604 -1.732 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 74 . 1 1 6 LYS HD2 H 7.526 -10.689 -0.624 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 75 . 1 1 6 LYS HD3 H 7.664 -12.224 -1.491 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 76 . 1 1 6 LYS HE2 H 8.396 -11.032 -3.490 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HE2 . . . . . . . . . c16510_2ke1 1 . 1 . 77 . 1 1 6 LYS HE3 H 8.231 -9.495 -2.645 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HE3 . . . . . . . . . c16510_2ke1 1 . 1 . 78 . 1 1 6 LYS HG2 H 5.974 -11.442 -3.099 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 79 . 1 1 6 LYS HG3 H 5.830 -9.936 -2.197 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 80 . 1 1 6 LYS HZ1 H 10.079 -11.666 -1.807 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HZ1 . . . . . . . . . c16510_2ke1 1 . 1 . 81 . 1 1 6 LYS HZ2 H 9.998 -10.088 -1.178 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HZ2 . . . . . . . . . c16510_2ke1 1 . 1 . 82 . 1 1 6 LYS HZ3 H 10.528 -10.342 -2.765 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HZ3 . . . . . . . . . c16510_2ke1 1 . 1 . 83 . 1 1 6 LYS N N 3.619 -11.385 0.800 . . . 1.0 . . . . . . . . . . . . A . 294 LYS N . . . . . . . . . c16510_2ke1 1 . 1 . 84 . 1 1 6 LYS NZ N 9.863 -10.669 -2.034 . . . 1.0 . . . . . . . . . . . . A . 294 LYS NZ . . . . . . . . . c16510_2ke1 1 . 1 . 85 . 1 1 6 LYS O O 3.704 -8.868 -0.259 . . . 1.0 . . . . . . . . . . . . A . 294 LYS O . . . . . . . . . c16510_2ke1 1 . 1 . 86 . 1 1 7 ASN C C 7.094 -6.954 -0.896 . . . 1.0 . . . . . . . . . . . . A . 295 ASN C . . . . . . . . . c16510_2ke1 1 . 1 . 87 . 1 1 7 ASN CA C 5.978 -7.338 0.049 . . . 1.0 . . . . . . . . . . . . A . 295 ASN CA . . . . . . . . . c16510_2ke1 1 . 1 . 88 . 1 1 7 ASN CB C 6.223 -6.734 1.428 . . . 1.0 . . . . . . . . . . . . A . 295 ASN CB . . . . . . . . . c16510_2ke1 1 . 1 . 89 . 1 1 7 ASN CG C 7.120 -7.604 2.292 . . . 1.0 . . . . . . . . . . . . A . 295 ASN CG . . . . . . . . . c16510_2ke1 1 . 1 . 90 . 1 1 7 ASN H H 6.726 -9.269 0.330 . . . 1.0 . . . . . . . . . . . . A . 295 ASN H . . . . . . . . . c16510_2ke1 1 . 1 . 91 . 1 1 7 ASN HA H 5.043 -6.969 -0.338 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HA . . . . . . . . . c16510_2ke1 1 . 1 . 92 . 1 1 7 ASN HB2 H 6.696 -5.776 1.310 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 93 . 1 1 7 ASN HB3 H 5.277 -6.600 1.928 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 94 . 1 1 7 ASN HD21 H 5.546 -8.556 3.038 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HD21 . . . . . . . . . c16510_2ke1 1 . 1 . 95 . 1 1 7 ASN HD22 H 7.089 -9.085 3.623 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HD22 . . . . . . . . . c16510_2ke1 1 . 1 . 96 . 1 1 7 ASN N N 5.899 -8.779 0.149 . . . 1.0 . . . . . . . . . . . . A . 295 ASN N . . . . . . . . . c16510_2ke1 1 . 1 . 97 . 1 1 7 ASN ND2 N 6.522 -8.503 3.061 . . . 1.0 . . . . . . . . . . . . A . 295 ASN ND2 . . . . . . . . . c16510_2ke1 1 . 1 . 98 . 1 1 7 ASN O O 8.183 -7.529 -0.848 . . . 1.0 . . . . . . . . . . . . A . 295 ASN O . . . . . . . . . c16510_2ke1 1 . 1 . 99 . 1 1 7 ASN OD1 O 8.341 -7.478 2.260 . . . 1.0 . . . . . . . . . . . . A . 295 ASN OD1 . . . . . . . . . c16510_2ke1 1 . 1 . 100 . 1 1 8 GLU C C 8.857 -4.714 -2.018 . . . 1.0 . . . . . . . . . . . . A . 296 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 101 . 1 1 8 GLU CA C 7.789 -5.528 -2.721 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 102 . 1 1 8 GLU CB C 7.137 -4.682 -3.815 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 103 . 1 1 8 GLU CD C 5.879 -4.779 -5.987 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 104 . 1 1 8 GLU CG C 6.126 -5.439 -4.650 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 105 . 1 1 8 GLU H H 5.894 -5.641 -1.780 . . . 1.0 . . . . . . . . . . . . A . 296 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 106 . 1 1 8 GLU HA H 8.255 -6.389 -3.177 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 107 . 1 1 8 GLU HB2 H 6.634 -3.844 -3.355 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 108 . 1 1 8 GLU HB3 H 7.907 -4.309 -4.474 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 109 . 1 1 8 GLU HG2 H 6.496 -6.439 -4.821 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 110 . 1 1 8 GLU HG3 H 5.193 -5.488 -4.108 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 111 . 1 1 8 GLU N N 6.806 -6.009 -1.768 . . . 1.0 . . . . . . . . . . . . A . 296 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 112 . 1 1 8 GLU O O 8.556 -3.897 -1.150 . . . 1.0 . . . . . . . . . . . . A . 296 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 113 . 1 1 8 GLU OE1 O 5.144 -3.775 -6.044 . . . 1.0 . . . . . . . . . . . . A . 296 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 114 . 1 1 8 GLU OE2 O 6.443 -5.258 -6.992 . . . 1.0 . . . . . . . . . . . . A . 296 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 115 . 1 1 9 ASP C C 11.427 -2.937 -2.646 . . . 1.0 . . . . . . . . . . . . A . 297 ASP C . . . . . . . . . c16510_2ke1 1 . 1 . 116 . 1 1 9 ASP CA C 11.219 -4.200 -1.834 . . . 1.0 . . . . . . . . . . . . A . 297 ASP CA . . . . . . . . . c16510_2ke1 1 . 1 . 117 . 1 1 9 ASP CB C 12.505 -5.028 -1.836 . . . 1.0 . . . . . . . . . . . . A . 297 ASP CB . . . . . . . . . c16510_2ke1 1 . 1 . 118 . 1 1 9 ASP CG C 12.334 -6.405 -1.225 . . . 1.0 . . . . . . . . . . . . A . 297 ASP CG . . . . . . . . . c16510_2ke1 1 . 1 . 119 . 1 1 9 ASP H H 10.278 -5.645 -3.069 . . . 1.0 . . . . . . . . . . . . A . 297 ASP H . . . . . . . . . c16510_2ke1 1 . 1 . 120 . 1 1 9 ASP HA H 10.968 -3.928 -0.818 . . . 1.0 . . . . . . . . . . . . A . 297 ASP HA . . . . . . . . . c16510_2ke1 1 . 1 . 121 . 1 1 9 ASP HB2 H 12.840 -5.149 -2.854 . . . 1.0 . . . . . . . . . . . . A . 297 ASP HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 122 . 1 1 9 ASP HB3 H 13.262 -4.499 -1.276 . . . 1.0 . . . . . . . . . . . . A . 297 ASP HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 123 . 1 1 9 ASP N N 10.103 -4.949 -2.391 . . . 1.0 . . . . . . . . . . . . A . 297 ASP N . . . . . . . . . c16510_2ke1 1 . 1 . 124 . 1 1 9 ASP O O 12.326 -2.139 -2.365 . . . 1.0 . . . . . . . . . . . . A . 297 ASP O . . . . . . . . . c16510_2ke1 1 . 1 . 125 . 1 1 9 ASP OD1 O 12.017 -6.502 -0.018 . . . 1.0 . . . . . . . . . . . . A . 297 ASP OD1 . . . . . . . . . c16510_2ke1 1 . 1 . 126 . 1 1 9 ASP OD2 O 12.522 -7.405 -1.955 . . . 1.0 . . . . . . . . . . . . A . 297 ASP OD2 . . . . . . . . . c16510_2ke1 1 . 1 . 127 . 1 1 10 GLU C C 9.236 -0.941 -4.501 . . . 1.0 . . . . . . . . . . . . A . 298 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 128 . 1 1 10 GLU CA C 10.614 -1.592 -4.506 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 129 . 1 1 10 GLU CB C 10.967 -1.966 -5.942 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 130 . 1 1 10 GLU CD C 13.338 -2.839 -5.646 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 131 . 1 1 10 GLU CG C 11.924 -3.143 -6.097 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 132 . 1 1 10 GLU H H 9.867 -3.418 -3.803 . . . 1.0 . . . . . . . . . . . . A . 298 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 133 . 1 1 10 GLU HA H 11.339 -0.903 -4.122 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 134 . 1 1 10 GLU HB2 H 10.059 -2.200 -6.453 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 135 . 1 1 10 GLU HB3 H 11.417 -1.106 -6.417 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 136 . 1 1 10 GLU HG2 H 11.552 -3.971 -5.514 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 137 . 1 1 10 GLU HG3 H 11.952 -3.427 -7.139 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 138 . 1 1 10 GLU N N 10.575 -2.759 -3.650 . . . 1.0 . . . . . . . . . . . . A . 298 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 139 . 1 1 10 GLU O O 8.217 -1.627 -4.551 . . . 1.0 . . . . . . . . . . . . A . 298 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 140 . 1 1 10 GLU OE1 O 14.002 -1.985 -6.278 . . . 1.0 . . . . . . . . . . . . A . 298 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 141 . 1 1 10 GLU OE2 O 13.812 -3.479 -4.684 . . . 1.0 . . . . . . . . . . . . A . 298 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 142 . 1 1 11 CYS C C 7.240 0.989 -5.774 . . . 1.0 . . . . . . . . . . . . A . 299 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 143 . 1 1 11 CYS CA C 7.966 1.127 -4.437 . . . 1.0 . . . . . . . . . . . . A . 299 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 144 . 1 1 11 CYS CB C 8.264 2.595 -4.157 . . . 1.0 . . . . . . . . . . . . A . 299 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 145 . 1 1 11 CYS H H 10.069 0.855 -4.351 . . . 1.0 . . . . . . . . . . . . A . 299 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 146 . 1 1 11 CYS HA H 7.336 0.741 -3.653 . . . 1.0 . . . . . . . . . . . . A . 299 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 147 . 1 1 11 CYS HB2 H 8.639 2.690 -3.148 . . . 1.0 . . . . . . . . . . . . A . 299 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 148 . 1 1 11 CYS HB3 H 9.021 2.933 -4.847 . . . 1.0 . . . . . . . . . . . . A . 299 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 149 . 1 1 11 CYS N N 9.213 0.374 -4.432 . . . 1.0 . . . . . . . . . . . . A . 299 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 150 . 1 1 11 CYS O O 7.855 1.046 -6.830 . . . 1.0 . . . . . . . . . . . . A . 299 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 151 . 1 1 11 CYS SG S 6.831 3.707 -4.317 . . . 1.0 . . . . . . . . . . . . A . 299 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 152 . 1 1 12 ALA C C 5.087 2.007 -7.729 . . . 1.0 . . . . . . . . . . . . A . 300 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 153 . 1 1 12 ALA CA C 5.093 0.711 -6.918 . . . 1.0 . . . . . . . . . . . . A . 300 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 154 . 1 1 12 ALA CB C 3.675 0.325 -6.537 . . . 1.0 . . . . . . . . . . . . A . 300 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 155 . 1 1 12 ALA H H 5.489 0.782 -4.834 . . . 1.0 . . . . . . . . . . . . A . 300 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 156 . 1 1 12 ALA HA H 5.497 -0.083 -7.527 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 157 . 1 1 12 ALA HB1 H 3.088 0.185 -7.432 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 158 . 1 1 12 ALA HB2 H 3.236 1.109 -5.936 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 159 . 1 1 12 ALA HB3 H 3.691 -0.595 -5.970 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 160 . 1 1 12 ALA N N 5.922 0.833 -5.716 . . . 1.0 . . . . . . . . . . . . A . 300 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 161 . 1 1 12 ALA O O 4.684 2.022 -8.889 . . . 1.0 . . . . . . . . . . . . A . 300 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 162 . 1 1 13 VAL C C 6.831 4.519 -8.649 . . . 1.0 . . . . . . . . . . . . A . 301 VAL C . . . . . . . . . c16510_2ke1 1 . 1 . 163 . 1 1 13 VAL CA C 5.580 4.385 -7.774 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CA . . . . . . . . . c16510_2ke1 1 . 1 . 164 . 1 1 13 VAL CB C 5.526 5.547 -6.754 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CB . . . . . . . . . c16510_2ke1 1 . 1 . 165 . 1 1 13 VAL CG1 C 5.700 6.892 -7.445 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CG1 . . . . . . . . . c16510_2ke1 1 . 1 . 166 . 1 1 13 VAL CG2 C 4.218 5.516 -5.973 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 167 . 1 1 13 VAL H H 5.815 3.016 -6.175 . . . 1.0 . . . . . . . . . . . . A . 301 VAL H . . . . . . . . . c16510_2ke1 1 . 1 . 168 . 1 1 13 VAL HA H 4.709 4.459 -8.408 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HA . . . . . . . . . c16510_2ke1 1 . 1 . 169 . 1 1 13 VAL HB H 6.338 5.423 -6.051 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HB . . . . . . . . . c16510_2ke1 1 . 1 . 170 . 1 1 13 VAL HG11 H 5.667 7.683 -6.708 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG11 . . . . . . . . . c16510_2ke1 1 . 1 . 171 . 1 1 13 VAL HG12 H 4.907 7.034 -8.162 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG12 . . . . . . . . . c16510_2ke1 1 . 1 . 172 . 1 1 13 VAL HG13 H 6.653 6.914 -7.953 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG13 . . . . . . . . . c16510_2ke1 1 . 1 . 173 . 1 1 13 VAL HG21 H 3.387 5.605 -6.658 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 174 . 1 1 13 VAL HG22 H 4.196 6.340 -5.274 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 175 . 1 1 13 VAL HG23 H 4.142 4.584 -5.432 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 176 . 1 1 13 VAL N N 5.529 3.092 -7.108 . . . 1.0 . . . . . . . . . . . . A . 301 VAL N . . . . . . . . . c16510_2ke1 1 . 1 . 177 . 1 1 13 VAL O O 6.728 4.671 -9.862 . . . 1.0 . . . . . . . . . . . . A . 301 VAL O . . . . . . . . . c16510_2ke1 1 . 1 . 178 . 1 1 14 CYS C C 10.195 3.489 -8.737 . . . 1.0 . . . . . . . . . . . . A . 302 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 179 . 1 1 14 CYS CA C 9.256 4.698 -8.762 . . . 1.0 . . . . . . . . . . . . A . 302 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 180 . 1 1 14 CYS CB C 9.953 5.918 -8.163 . . . 1.0 . . . . . . . . . . . . A . 302 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 181 . 1 1 14 CYS H H 8.039 4.253 -7.078 . . . 1.0 . . . . . . . . . . . . A . 302 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 182 . 1 1 14 CYS HA H 9.002 4.915 -9.790 . . . 1.0 . . . . . . . . . . . . A . 302 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 183 . 1 1 14 CYS HB2 H 10.967 5.963 -8.528 . . . 1.0 . . . . . . . . . . . . A . 302 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 184 . 1 1 14 CYS HB3 H 9.426 6.811 -8.464 . . . 1.0 . . . . . . . . . . . . A . 302 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 185 . 1 1 14 CYS N N 8.006 4.451 -8.037 . . . 1.0 . . . . . . . . . . . . A . 302 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 186 . 1 1 14 CYS O O 11.332 3.566 -9.202 . . . 1.0 . . . . . . . . . . . . A . 302 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 187 . 1 1 14 CYS SG S 10.018 5.893 -6.342 . . . 1.0 . . . . . . . . . . . . A . 302 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 188 . 1 1 15 ARG C C 11.784 1.374 -7.302 . . . 1.0 . . . . . . . . . . . . A . 303 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 189 . 1 1 15 ARG CA C 10.474 1.134 -8.062 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 190 . 1 1 15 ARG CB C 10.750 0.483 -9.427 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 191 . 1 1 15 ARG CD C 8.411 -0.495 -9.497 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 192 . 1 1 15 ARG CG C 9.497 0.247 -10.268 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 193 . 1 1 15 ARG CZ C 8.049 -2.657 -8.343 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 194 . 1 1 15 ARG H H 8.761 2.367 -7.912 . . . 1.0 . . . . . . . . . . . . A . 303 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 195 . 1 1 15 ARG HA H 9.873 0.453 -7.476 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 196 . 1 1 15 ARG HB2 H 11.417 1.121 -9.987 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 197 . 1 1 15 ARG HB3 H 11.230 -0.469 -9.265 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 198 . 1 1 15 ARG HD2 H 8.141 0.094 -8.635 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 199 . 1 1 15 ARG HD3 H 7.551 -0.600 -10.139 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 200 . 1 1 15 ARG HE H 9.750 -2.112 -9.259 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 201 . 1 1 15 ARG HG2 H 9.104 1.202 -10.582 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 202 . 1 1 15 ARG HG3 H 9.763 -0.335 -11.137 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 203 . 1 1 15 ARG HH11 H 6.393 -1.487 -8.442 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 204 . 1 1 15 ARG HH12 H 6.205 -2.967 -7.544 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 205 . 1 1 15 ARG HH21 H 9.471 -4.088 -8.123 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 206 . 1 1 15 ARG HH22 H 7.923 -4.453 -7.411 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 207 . 1 1 15 ARG N N 9.698 2.373 -8.206 . . . 1.0 . . . . . . . . . . . . A . 303 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 208 . 1 1 15 ARG NE N 8.827 -1.826 -9.045 . . . 1.0 . . . . . . . . . . . . A . 303 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 209 . 1 1 15 ARG NH1 N 6.781 -2.348 -8.097 . . . 1.0 . . . . . . . . . . . . A . 303 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 210 . 1 1 15 ARG NH2 N 8.523 -3.823 -7.927 . . . 1.0 . . . . . . . . . . . . A . 303 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 211 . 1 1 15 ARG O O 12.804 0.746 -7.584 . . . 1.0 . . . . . . . . . . . . A . 303 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 212 . 1 1 16 ASP C C 12.679 1.911 -4.126 . . . 1.0 . . . . . . . . . . . . A . 304 ASP C . . . . . . . . . c16510_2ke1 1 . 1 . 213 . 1 1 16 ASP CA C 12.886 2.576 -5.485 . . . 1.0 . . . . . . . . . . . . A . 304 ASP CA . . . . . . . . . c16510_2ke1 1 . 1 . 214 . 1 1 16 ASP CB C 13.048 4.093 -5.349 . . . 1.0 . . . . . . . . . . . . A . 304 ASP CB . . . . . . . . . c16510_2ke1 1 . 1 . 215 . 1 1 16 ASP CG C 14.202 4.502 -4.455 . . . 1.0 . . . . . . . . . . . . A . 304 ASP CG . . . . . . . . . c16510_2ke1 1 . 1 . 216 . 1 1 16 ASP H H 10.908 2.778 -6.193 . . . 1.0 . . . . . . . . . . . . A . 304 ASP H . . . . . . . . . c16510_2ke1 1 . 1 . 217 . 1 1 16 ASP HA H 13.764 2.167 -5.950 . . . 1.0 . . . . . . . . . . . . A . 304 ASP HA . . . . . . . . . c16510_2ke1 1 . 1 . 218 . 1 1 16 ASP HB2 H 13.220 4.512 -6.327 . . . 1.0 . . . . . . . . . . . . A . 304 ASP HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 219 . 1 1 16 ASP HB3 H 12.140 4.504 -4.945 . . . 1.0 . . . . . . . . . . . . A . 304 ASP HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 220 . 1 1 16 ASP N N 11.738 2.285 -6.340 . . . 1.0 . . . . . . . . . . . . A . 304 ASP N . . . . . . . . . c16510_2ke1 1 . 1 . 221 . 1 1 16 ASP O O 11.567 1.481 -3.816 . . . 1.0 . . . . . . . . . . . . A . 304 ASP O . . . . . . . . . c16510_2ke1 1 . 1 . 222 . 1 1 16 ASP OD1 O 15.246 3.829 -4.490 . . . 1.0 . . . . . . . . . . . . A . 304 ASP OD1 . . . . . . . . . c16510_2ke1 1 . 1 . 223 . 1 1 16 ASP OD2 O 14.068 5.495 -3.713 . . . 1.0 . . . . . . . . . . . . A . 304 ASP OD2 . . . . . . . . . c16510_2ke1 1 . 1 . 224 . 1 1 17 GLY C C 13.659 2.065 -0.895 . . . 1.0 . . . . . . . . . . . . A . 305 GLY C . . . . . . . . . c16510_2ke1 1 . 1 . 225 . 1 1 17 GLY CA C 13.629 1.112 -2.063 . . . 1.0 . . . . . . . . . . . . A . 305 GLY CA . . . . . . . . . c16510_2ke1 1 . 1 . 226 . 1 1 17 GLY H H 14.562 2.299 -3.550 . . . 1.0 . . . . . . . . . . . . A . 305 GLY H . . . . . . . . . c16510_2ke1 1 . 1 . 227 . 1 1 17 GLY HA2 H 12.702 0.556 -2.044 . . . 1.0 . . . . . . . . . . . . A . 305 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 1 . 228 . 1 1 17 GLY HA3 H 14.457 0.424 -1.978 . . . 1.0 . . . . . . . . . . . . A . 305 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 1 . 229 . 1 1 17 GLY N N 13.727 1.825 -3.319 . . . 1.0 . . . . . . . . . . . . A . 305 GLY N . . . . . . . . . c16510_2ke1 1 . 1 . 230 . 1 1 17 GLY O O 13.507 3.263 -1.086 . . . 1.0 . . . . . . . . . . . . A . 305 GLY O . . . . . . . . . c16510_2ke1 1 . 1 . 231 . 1 1 18 GLY C C 12.726 2.410 2.325 . . . 1.0 . . . . . . . . . . . . A . 306 GLY C . . . . . . . . . c16510_2ke1 1 . 1 . 232 . 1 1 18 GLY CA C 13.965 2.426 1.462 . . . 1.0 . . . . . . . . . . . . A . 306 GLY CA . . . . . . . . . c16510_2ke1 1 . 1 . 233 . 1 1 18 GLY H H 13.913 0.580 0.418 . . . 1.0 . . . . . . . . . . . . A . 306 GLY H . . . . . . . . . c16510_2ke1 1 . 1 . 234 . 1 1 18 GLY HA2 H 14.808 2.113 2.056 . . . 1.0 . . . . . . . . . . . . A . 306 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 1 . 235 . 1 1 18 GLY HA3 H 14.137 3.434 1.119 . . . 1.0 . . . . . . . . . . . . A . 306 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 1 . 236 . 1 1 18 GLY N N 13.854 1.555 0.307 . . . 1.0 . . . . . . . . . . . . A . 306 GLY N . . . . . . . . . c16510_2ke1 1 . 1 . 237 . 1 1 18 GLY O O 12.282 1.346 2.760 . . . 1.0 . . . . . . . . . . . . A . 306 GLY O . . . . . . . . . c16510_2ke1 1 . 1 . 238 . 1 1 19 GLU C C 9.741 3.297 2.674 . . . 1.0 . . . . . . . . . . . . A . 307 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 239 . 1 1 19 GLU CA C 10.997 3.727 3.424 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 240 . 1 1 19 GLU CB C 10.853 5.171 3.904 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 241 . 1 1 19 GLU CD C 12.835 6.700 3.539 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 242 . 1 1 19 GLU CG C 12.132 5.748 4.488 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 243 . 1 1 19 GLU H H 12.577 4.400 2.190 . . . 1.0 . . . . . . . . . . . . A . 307 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 244 . 1 1 19 GLU HA H 11.127 3.084 4.281 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 245 . 1 1 19 GLU HB2 H 10.554 5.786 3.069 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 246 . 1 1 19 GLU HB3 H 10.084 5.212 4.663 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 247 . 1 1 19 GLU HG2 H 11.887 6.287 5.391 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 248 . 1 1 19 GLU HG3 H 12.803 4.936 4.725 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 249 . 1 1 19 GLU N N 12.174 3.591 2.578 . . . 1.0 . . . . . . . . . . . . A . 307 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 250 . 1 1 19 GLU O O 9.063 4.109 2.041 . . . 1.0 . . . . . . . . . . . . A . 307 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 251 . 1 1 19 GLU OE1 O 13.339 6.246 2.487 . . . 1.0 . . . . . . . . . . . . A . 307 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 252 . 1 1 19 GLU OE2 O 12.884 7.911 3.854 . . . 1.0 . . . . . . . . . . . . A . 307 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 253 . 1 1 20 LEU C C 7.145 1.166 2.982 . . . 1.0 . . . . . . . . . . . . A . 308 LEU C . . . . . . . . . c16510_2ke1 1 . 1 . 254 . 1 1 20 LEU CA C 8.315 1.438 2.048 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CA . . . . . . . . . c16510_2ke1 1 . 1 . 255 . 1 1 20 LEU CB C 8.728 0.136 1.377 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CB . . . . . . . . . c16510_2ke1 1 . 1 . 256 . 1 1 20 LEU CD1 C 10.339 -1.127 -0.035 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 257 . 1 1 20 LEU CD2 C 9.307 0.963 -0.915 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 258 . 1 1 20 LEU CG C 9.825 0.251 0.325 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CG . . . . . . . . . c16510_2ke1 1 . 1 . 259 . 1 1 20 LEU H H 10.007 1.436 3.321 . . . 1.0 . . . . . . . . . . . . A . 308 LEU H . . . . . . . . . c16510_2ke1 1 . 1 . 260 . 1 1 20 LEU HA H 8.005 2.137 1.290 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HA . . . . . . . . . c16510_2ke1 1 . 1 . 261 . 1 1 20 LEU HB2 H 9.069 -0.540 2.142 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 262 . 1 1 20 LEU HB3 H 7.856 -0.292 0.907 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 263 . 1 1 20 LEU HD11 H 10.735 -1.605 0.850 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 264 . 1 1 20 LEU HD12 H 11.118 -1.040 -0.778 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 265 . 1 1 20 LEU HD13 H 9.528 -1.721 -0.430 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 266 . 1 1 20 LEU HD21 H 9.035 1.977 -0.663 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 1 . 267 . 1 1 20 LEU HD22 H 8.438 0.440 -1.294 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 1 . 268 . 1 1 20 LEU HD23 H 10.077 0.972 -1.673 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 1 . 269 . 1 1 20 LEU HG H 10.648 0.826 0.728 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HG . . . . . . . . . c16510_2ke1 1 . 1 . 270 . 1 1 20 LEU N N 9.443 2.013 2.759 . . . 1.0 . . . . . . . . . . . . A . 308 LEU N . . . . . . . . . c16510_2ke1 1 . 1 . 271 . 1 1 20 LEU O O 7.326 0.849 4.155 . . . 1.0 . . . . . . . . . . . . A . 308 LEU O . . . . . . . . . c16510_2ke1 1 . 1 . 272 . 1 1 21 ILE C C 3.886 0.040 2.239 . . . 1.0 . . . . . . . . . . . . A . 309 ILE C . . . . . . . . . c16510_2ke1 1 . 1 . 273 . 1 1 21 ILE CA C 4.730 0.937 3.146 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CA . . . . . . . . . c16510_2ke1 1 . 1 . 274 . 1 1 21 ILE CB C 3.946 2.198 3.591 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CB . . . . . . . . . c16510_2ke1 1 . 1 . 275 . 1 1 21 ILE CD1 C 1.847 3.014 4.768 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 276 . 1 1 21 ILE CG1 C 2.604 1.821 4.229 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CG1 . . . . . . . . . c16510_2ke1 1 . 1 . 277 . 1 1 21 ILE CG2 C 3.743 3.162 2.427 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 278 . 1 1 21 ILE H H 5.882 1.632 1.524 . . . 1.0 . . . . . . . . . . . . A . 309 ILE H . . . . . . . . . c16510_2ke1 1 . 1 . 279 . 1 1 21 ILE HA H 5.008 0.376 4.028 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HA . . . . . . . . . c16510_2ke1 1 . 1 . 280 . 1 1 21 ILE HB H 4.545 2.709 4.330 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HB . . . . . . . . . c16510_2ke1 1 . 1 . 281 . 1 1 21 ILE HD11 H 1.622 3.694 3.960 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 282 . 1 1 21 ILE HD12 H 2.458 3.519 5.503 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 283 . 1 1 21 ILE HD13 H 0.927 2.686 5.230 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 284 . 1 1 21 ILE HG12 H 1.982 1.337 3.492 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG12 . . . . . . . . . c16510_2ke1 1 . 1 . 285 . 1 1 21 ILE HG13 H 2.780 1.139 5.049 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG13 . . . . . . . . . c16510_2ke1 1 . 1 . 286 . 1 1 21 ILE HG21 H 3.208 4.035 2.770 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 287 . 1 1 21 ILE HG22 H 3.175 2.674 1.646 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 288 . 1 1 21 ILE HG23 H 4.706 3.460 2.037 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 289 . 1 1 21 ILE N N 5.948 1.290 2.443 . . . 1.0 . . . . . . . . . . . . A . 309 ILE N . . . . . . . . . c16510_2ke1 1 . 1 . 290 . 1 1 21 ILE O O 3.397 0.467 1.193 . . . 1.0 . . . . . . . . . . . . A . 309 ILE O . . . . . . . . . c16510_2ke1 1 . 1 . 291 . 1 1 22 CYS C C 1.711 -2.492 2.190 . . . 1.0 . . . . . . . . . . . . A . 310 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 292 . 1 1 22 CYS CA C 3.147 -2.221 1.771 . . . 1.0 . . . . . . . . . . . . A . 310 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 293 . 1 1 22 CYS CB C 3.967 -3.510 1.804 . . . 1.0 . . . . . . . . . . . . A . 310 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 294 . 1 1 22 CYS H H 4.104 -1.483 3.508 . . . 1.0 . . . . . . . . . . . . A . 310 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 295 . 1 1 22 CYS HA H 3.143 -1.838 0.762 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 296 . 1 1 22 CYS HB2 H 4.966 -3.297 1.450 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 297 . 1 1 22 CYS HB3 H 4.022 -3.864 2.823 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 298 . 1 1 22 CYS HG H 2.883 -4.322 -0.352 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HG . . . . . . . . . c16510_2ke1 1 . 1 . 299 . 1 1 22 CYS N N 3.768 -1.221 2.624 . . . 1.0 . . . . . . . . . . . . A . 310 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 300 . 1 1 22 CYS O O 1.356 -2.402 3.370 . . . 1.0 . . . . . . . . . . . . A . 310 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 301 . 1 1 22 CYS SG S 3.304 -4.849 0.791 . . . 1.0 . . . . . . . . . . . . A . 310 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 302 . 1 1 23 CYS C C -0.706 -4.493 2.004 . . . 1.0 . . . . . . . . . . . . A . 311 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 303 . 1 1 23 CYS CA C -0.516 -3.100 1.406 . . . 1.0 . . . . . . . . . . . . A . 311 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 304 . 1 1 23 CYS CB C -1.273 -2.976 0.076 . . . 1.0 . . . . . . . . . . . . A . 311 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 305 . 1 1 23 CYS H H 1.244 -2.815 0.279 . . . 1.0 . . . . . . . . . . . . A . 311 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 306 . 1 1 23 CYS HA H -0.909 -2.373 2.098 . . . 1.0 . . . . . . . . . . . . A . 311 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 307 . 1 1 23 CYS HB2 H -1.217 -1.952 -0.262 . . . 1.0 . . . . . . . . . . . . A . 311 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 308 . 1 1 23 CYS HB3 H -0.803 -3.615 -0.657 . . . 1.0 . . . . . . . . . . . . A . 311 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 309 . 1 1 23 CYS N N 0.889 -2.798 1.196 . . . 1.0 . . . . . . . . . . . . A . 311 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 310 . 1 1 23 CYS O O 0.131 -5.381 1.821 . . . 1.0 . . . . . . . . . . . . A . 311 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 311 . 1 1 23 CYS SG S -3.038 -3.426 0.153 . . . 1.0 . . . . . . . . . . . . A . 311 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 312 . 1 1 24 ASP C C -2.376 -6.986 2.187 . . . 1.0 . . . . . . . . . . . . A . 312 ASP C . . . . . . . . . c16510_2ke1 1 . 1 . 313 . 1 1 24 ASP CA C -2.136 -5.968 3.302 . . . 1.0 . . . . . . . . . . . . A . 312 ASP CA . . . . . . . . . c16510_2ke1 1 . 1 . 314 . 1 1 24 ASP CB C -3.358 -5.888 4.218 . . . 1.0 . . . . . . . . . . . . A . 312 ASP CB . . . . . . . . . c16510_2ke1 1 . 1 . 315 . 1 1 24 ASP CG C -3.826 -7.263 4.654 . . . 1.0 . . . . . . . . . . . . A . 312 ASP CG . . . . . . . . . c16510_2ke1 1 . 1 . 316 . 1 1 24 ASP H H -2.359 -3.885 2.933 . . . 1.0 . . . . . . . . . . . . A . 312 ASP H . . . . . . . . . c16510_2ke1 1 . 1 . 317 . 1 1 24 ASP HA H -1.292 -6.305 3.886 . . . 1.0 . . . . . . . . . . . . A . 312 ASP HA . . . . . . . . . c16510_2ke1 1 . 1 . 318 . 1 1 24 ASP HB2 H -3.106 -5.318 5.099 . . . 1.0 . . . . . . . . . . . . A . 312 ASP HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 319 . 1 1 24 ASP HB3 H -4.167 -5.401 3.696 . . . 1.0 . . . . . . . . . . . . A . 312 ASP HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 320 . 1 1 24 ASP N N -1.784 -4.664 2.754 . . . 1.0 . . . . . . . . . . . . A . 312 ASP N . . . . . . . . . c16510_2ke1 1 . 1 . 321 . 1 1 24 ASP O O -1.594 -7.922 2.010 . . . 1.0 . . . . . . . . . . . . A . 312 ASP O . . . . . . . . . c16510_2ke1 1 . 1 . 322 . 1 1 24 ASP OD1 O -3.077 -7.949 5.377 . . . 1.0 . . . . . . . . . . . . A . 312 ASP OD1 . . . . . . . . . c16510_2ke1 1 . 1 . 323 . 1 1 24 ASP OD2 O -4.943 -7.665 4.260 . . . 1.0 . . . . . . . . . . . . A . 312 ASP OD2 . . . . . . . . . c16510_2ke1 1 . 1 . 324 . 1 1 25 GLY C C -3.069 -7.674 -0.864 . . . 1.0 . . . . . . . . . . . . A . 313 GLY C . . . . . . . . . c16510_2ke1 1 . 1 . 325 . 1 1 25 GLY CA C -3.857 -7.762 0.432 . . . 1.0 . . . . . . . . . . . . A . 313 GLY CA . . . . . . . . . c16510_2ke1 1 . 1 . 326 . 1 1 25 GLY H H -3.992 -5.978 1.569 . . . 1.0 . . . . . . . . . . . . A . 313 GLY H . . . . . . . . . c16510_2ke1 1 . 1 . 327 . 1 1 25 GLY HA2 H -3.731 -8.751 0.843 . . . 1.0 . . . . . . . . . . . . A . 313 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 1 . 328 . 1 1 25 GLY HA3 H -4.904 -7.613 0.209 . . . 1.0 . . . . . . . . . . . . A . 313 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 1 . 329 . 1 1 25 GLY N N -3.456 -6.789 1.434 . . . 1.0 . . . . . . . . . . . . A . 313 GLY N . . . . . . . . . c16510_2ke1 1 . 1 . 330 . 1 1 25 GLY O O -3.153 -8.572 -1.700 . . . 1.0 . . . . . . . . . . . . A . 313 GLY O . . . . . . . . . c16510_2ke1 1 . 1 . 331 . 1 1 26 CYS C C -0.046 -6.262 -1.912 . . . 1.0 . . . . . . . . . . . . A . 314 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 332 . 1 1 26 CYS CA C -1.521 -6.430 -2.253 . . . 1.0 . . . . . . . . . . . . A . 314 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 333 . 1 1 26 CYS CB C -2.018 -5.231 -3.060 . . . 1.0 . . . . . . . . . . . . A . 314 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 334 . 1 1 26 CYS H H -2.285 -5.914 -0.346 . . . 1.0 . . . . . . . . . . . . A . 314 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 335 . 1 1 26 CYS HA H -1.639 -7.323 -2.850 . . . 1.0 . . . . . . . . . . . . A . 314 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 336 . 1 1 26 CYS HB2 H -2.021 -4.357 -2.426 . . . 1.0 . . . . . . . . . . . . A . 314 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 337 . 1 1 26 CYS HB3 H -1.348 -5.064 -3.890 . . . 1.0 . . . . . . . . . . . . A . 314 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 338 . 1 1 26 CYS N N -2.315 -6.602 -1.042 . . . 1.0 . . . . . . . . . . . . A . 314 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 339 . 1 1 26 CYS O O 0.313 -5.453 -1.060 . . . 1.0 . . . . . . . . . . . . A . 314 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 340 . 1 1 26 CYS SG S -3.701 -5.434 -3.731 . . . 1.0 . . . . . . . . . . . . A . 314 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 341 . 1 1 27 PRO C C 2.989 -5.745 -2.553 . . . 1.0 . . . . . . . . . . . . A . 315 PRO C . . . . . . . . . c16510_2ke1 1 . 1 . 342 . 1 1 27 PRO CA C 2.267 -7.068 -2.302 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CA . . . . . . . . . c16510_2ke1 1 . 1 . 343 . 1 1 27 PRO CB C 2.795 -8.145 -3.257 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CB . . . . . . . . . c16510_2ke1 1 . 1 . 344 . 1 1 27 PRO CD C 0.465 -7.921 -3.706 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CD . . . . . . . . . c16510_2ke1 1 . 1 . 345 . 1 1 27 PRO CG C 1.789 -8.213 -4.351 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CG . . . . . . . . . c16510_2ke1 1 . 1 . 346 . 1 1 27 PRO HA H 2.448 -7.378 -1.285 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HA . . . . . . . . . c16510_2ke1 1 . 1 . 347 . 1 1 27 PRO HB2 H 3.764 -7.852 -3.629 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 348 . 1 1 27 PRO HB3 H 2.873 -9.086 -2.736 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 349 . 1 1 27 PRO HD2 H -0.194 -7.426 -4.403 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 350 . 1 1 27 PRO HD3 H 0.016 -8.830 -3.335 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 351 . 1 1 27 PRO HG2 H 2.012 -7.469 -5.101 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 352 . 1 1 27 PRO HG3 H 1.784 -9.201 -4.788 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 353 . 1 1 27 PRO N N 0.825 -7.024 -2.594 . . . 1.0 . . . . . . . . . . . . A . 315 PRO N . . . . . . . . . c16510_2ke1 1 . 1 . 354 . 1 1 27 PRO O O 4.131 -5.575 -2.127 . . . 1.0 . . . . . . . . . . . . A . 315 PRO O . . . . . . . . . c16510_2ke1 1 . 1 . 355 . 1 1 28 ARG C C 3.336 -2.771 -2.296 . . . 1.0 . . . . . . . . . . . . A . 316 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 356 . 1 1 28 ARG CA C 2.946 -3.527 -3.554 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 357 . 1 1 28 ARG CB C 2.011 -2.637 -4.367 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 358 . 1 1 28 ARG CD C 0.988 -2.061 -6.564 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 359 . 1 1 28 ARG CG C 1.718 -3.132 -5.765 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 360 . 1 1 28 ARG CZ C -0.452 -1.873 -8.562 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 361 . 1 1 28 ARG H H 1.420 -4.999 -3.536 . . . 1.0 . . . . . . . . . . . . A . 316 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 362 . 1 1 28 ARG HA H 3.833 -3.721 -4.133 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 363 . 1 1 28 ARG HB2 H 1.073 -2.553 -3.842 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 364 . 1 1 28 ARG HB3 H 2.454 -1.653 -4.445 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 365 . 1 1 28 ARG HD2 H 0.258 -1.591 -5.921 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 366 . 1 1 28 ARG HD3 H 1.711 -1.319 -6.887 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 367 . 1 1 28 ARG HE H 0.377 -3.582 -7.891 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 368 . 1 1 28 ARG HG2 H 2.649 -3.369 -6.259 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 369 . 1 1 28 ARG HG3 H 1.101 -4.014 -5.703 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 370 . 1 1 28 ARG HH11 H 0.003 -0.101 -7.693 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 371 . 1 1 28 ARG HH12 H -1.083 0.003 -9.041 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 372 . 1 1 28 ARG HH21 H -1.093 -3.462 -9.660 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 373 . 1 1 28 ARG HH22 H -1.720 -1.907 -10.149 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 374 . 1 1 28 ARG N N 2.331 -4.814 -3.239 . . . 1.0 . . . . . . . . . . . . A . 316 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 375 . 1 1 28 ARG NE N 0.303 -2.604 -7.736 . . . 1.0 . . . . . . . . . . . . A . 316 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 376 . 1 1 28 ARG NH1 N -0.514 -0.551 -8.417 . . . 1.0 . . . . . . . . . . . . A . 316 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 377 . 1 1 28 ARG NH2 N -1.137 -2.459 -9.535 . . . 1.0 . . . . . . . . . . . . A . 316 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 378 . 1 1 28 ARG O O 2.558 -2.676 -1.341 . . . 1.0 . . . . . . . . . . . . A . 316 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 379 . 1 1 29 ALA C C 5.225 0.041 -1.897 . . . 1.0 . . . . . . . . . . . . A . 317 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 380 . 1 1 29 ALA CA C 4.993 -1.329 -1.275 . . . 1.0 . . . . . . . . . . . . A . 317 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 381 . 1 1 29 ALA CB C 6.258 -1.850 -0.611 . . . 1.0 . . . . . . . . . . . . A . 317 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 382 . 1 1 29 ALA H H 5.150 -2.452 -3.051 . . . 1.0 . . . . . . . . . . . . A . 317 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 383 . 1 1 29 ALA HA H 4.215 -1.256 -0.528 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 384 . 1 1 29 ALA HB1 H 6.056 -2.809 -0.150 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 385 . 1 1 29 ALA HB2 H 6.583 -1.147 0.143 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 386 . 1 1 29 ALA HB3 H 7.034 -1.964 -1.354 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 387 . 1 1 29 ALA N N 4.541 -2.238 -2.311 . . . 1.0 . . . . . . . . . . . . A . 317 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 388 . 1 1 29 ALA O O 5.586 0.137 -3.067 . . . 1.0 . . . . . . . . . . . . A . 317 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 389 . 1 1 30 PHE C C 5.961 3.319 -0.798 . . . 1.0 . . . . . . . . . . . . A . 318 PHE C . . . . . . . . . c16510_2ke1 1 . 1 . 390 . 1 1 30 PHE CA C 5.094 2.443 -1.681 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CA . . . . . . . . . c16510_2ke1 1 . 1 . 391 . 1 1 30 PHE CB C 3.707 3.080 -1.779 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CB . . . . . . . . . c16510_2ke1 1 . 1 . 392 . 1 1 30 PHE CD1 C 2.017 1.231 -1.924 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 393 . 1 1 30 PHE CD2 C 2.386 2.575 -3.858 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 394 . 1 1 30 PHE CE1 C 1.066 0.504 -2.605 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CE1 . . . . . . . . . c16510_2ke1 1 . 1 . 395 . 1 1 30 PHE CE2 C 1.429 1.852 -4.543 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CE2 . . . . . . . . . c16510_2ke1 1 . 1 . 396 . 1 1 30 PHE CG C 2.690 2.274 -2.539 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CG . . . . . . . . . c16510_2ke1 1 . 1 . 397 . 1 1 30 PHE CZ C 0.771 0.814 -3.915 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CZ . . . . . . . . . c16510_2ke1 1 . 1 . 398 . 1 1 30 PHE H H 4.738 0.970 -0.202 . . . 1.0 . . . . . . . . . . . . A . 318 PHE H . . . . . . . . . c16510_2ke1 1 . 1 . 399 . 1 1 30 PHE HA H 5.534 2.384 -2.663 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HA . . . . . . . . . c16510_2ke1 1 . 1 . 400 . 1 1 30 PHE HB2 H 3.322 3.232 -0.781 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 401 . 1 1 30 PHE HB3 H 3.799 4.041 -2.266 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 402 . 1 1 30 PHE HD1 H 2.248 0.985 -0.896 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HD1 . . . . . . . . . c16510_2ke1 1 . 1 . 403 . 1 1 30 PHE HD2 H 2.905 3.386 -4.352 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 404 . 1 1 30 PHE HE1 H 0.550 -0.308 -2.113 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HE1 . . . . . . . . . c16510_2ke1 1 . 1 . 405 . 1 1 30 PHE HE2 H 1.202 2.094 -5.570 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HE2 . . . . . . . . . c16510_2ke1 1 . 1 . 406 . 1 1 30 PHE HZ H 0.018 0.250 -4.444 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HZ . . . . . . . . . c16510_2ke1 1 . 1 . 407 . 1 1 30 PHE N N 4.993 1.096 -1.141 . . . 1.0 . . . . . . . . . . . . A . 318 PHE N . . . . . . . . . c16510_2ke1 1 . 1 . 408 . 1 1 30 PHE O O 6.244 2.970 0.338 . . . 1.0 . . . . . . . . . . . . A . 318 PHE O . . . . . . . . . c16510_2ke1 1 . 1 . 409 . 1 1 31 HIS C C 6.005 6.409 0.051 . . . 1.0 . . . . . . . . . . . . A . 319 HIS C . . . . . . . . . c16510_2ke1 1 . 1 . 410 . 1 1 31 HIS CA C 7.044 5.466 -0.519 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CA . . . . . . . . . c16510_2ke1 1 . 1 . 411 . 1 1 31 HIS CB C 8.065 6.264 -1.329 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CB . . . . . . . . . c16510_2ke1 1 . 1 . 412 . 1 1 31 HIS CD2 C 10.286 5.057 -0.839 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 413 . 1 1 31 HIS CE1 C 10.731 4.472 -2.884 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CE1 . . . . . . . . . c16510_2ke1 1 . 1 . 414 . 1 1 31 HIS CG C 9.301 5.497 -1.657 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CG . . . . . . . . . c16510_2ke1 1 . 1 . 415 . 1 1 31 HIS H H 6.261 4.613 -2.287 . . . 1.0 . . . . . . . . . . . . A . 319 HIS H . . . . . . . . . c16510_2ke1 1 . 1 . 416 . 1 1 31 HIS HA H 7.546 4.964 0.295 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HA . . . . . . . . . c16510_2ke1 1 . 1 . 417 . 1 1 31 HIS HB2 H 7.612 6.573 -2.264 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 418 . 1 1 31 HIS HB3 H 8.354 7.144 -0.770 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 419 . 1 1 31 HIS HD2 H 10.346 5.180 0.232 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 420 . 1 1 31 HIS HE1 H 11.222 4.024 -3.738 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HE1 . . . . . . . . . c16510_2ke1 1 . 1 . 421 . 1 1 31 HIS HE2 H 12.093 4.113 -1.361 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HE2 . . . . . . . . . c16510_2ke1 1 . 1 . 422 . 1 1 31 HIS N N 6.386 4.455 -1.329 . . . 1.0 . . . . . . . . . . . . A . 319 HIS N . . . . . . . . . c16510_2ke1 1 . 1 . 423 . 1 1 31 HIS ND1 N 9.587 5.128 -2.943 . . . 1.0 . . . . . . . . . . . . A . 319 HIS ND1 . . . . . . . . . c16510_2ke1 1 . 1 . 424 . 1 1 31 HIS NE2 N 11.190 4.408 -1.631 . . . 1.0 . . . . . . . . . . . . A . 319 HIS NE2 . . . . . . . . . c16510_2ke1 1 . 1 . 425 . 1 1 31 HIS O O 5.004 6.694 -0.613 . . . 1.0 . . . . . . . . . . . . A . 319 HIS O . . . . . . . . . c16510_2ke1 1 . 1 . 426 . 1 1 32 LEU C C 4.786 8.885 1.095 . . . 1.0 . . . . . . . . . . . . A . 320 LEU C . . . . . . . . . c16510_2ke1 1 . 1 . 427 . 1 1 32 LEU CA C 5.269 7.722 1.960 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CA . . . . . . . . . c16510_2ke1 1 . 1 . 428 . 1 1 32 LEU CB C 5.871 8.252 3.260 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CB . . . . . . . . . c16510_2ke1 1 . 1 . 429 . 1 1 32 LEU CD1 C 6.800 7.839 5.553 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 430 . 1 1 32 LEU CD2 C 5.111 6.265 4.591 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 431 . 1 1 32 LEU CG C 6.284 7.185 4.280 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CG . . . . . . . . . c16510_2ke1 1 . 1 . 432 . 1 1 32 LEU H H 7.112 6.723 1.678 . . . 1.0 . . . . . . . . . . . . A . 320 LEU H . . . . . . . . . c16510_2ke1 1 . 1 . 433 . 1 1 32 LEU HA H 4.423 7.098 2.201 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HA . . . . . . . . . c16510_2ke1 1 . 1 . 434 . 1 1 32 LEU HB2 H 6.742 8.842 3.013 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 435 . 1 1 32 LEU HB3 H 5.141 8.895 3.726 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 436 . 1 1 32 LEU HD11 H 6.017 8.442 5.991 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 437 . 1 1 32 LEU HD12 H 7.649 8.466 5.319 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 438 . 1 1 32 LEU HD13 H 7.101 7.075 6.255 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 439 . 1 1 32 LEU HD21 H 4.292 6.848 4.984 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 1 . 440 . 1 1 32 LEU HD22 H 5.415 5.531 5.324 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 1 . 441 . 1 1 32 LEU HD23 H 4.797 5.763 3.689 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 1 . 442 . 1 1 32 LEU HG H 7.081 6.586 3.862 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HG . . . . . . . . . c16510_2ke1 1 . 1 . 443 . 1 1 32 LEU N N 6.246 6.901 1.254 . . . 1.0 . . . . . . . . . . . . A . 320 LEU N . . . . . . . . . c16510_2ke1 1 . 1 . 444 . 1 1 32 LEU O O 3.590 9.025 0.836 . . . 1.0 . . . . . . . . . . . . A . 320 LEU O . . . . . . . . . c16510_2ke1 1 . 1 . 445 . 1 1 33 ALA C C 4.957 10.567 -1.569 . . . 1.0 . . . . . . . . . . . . A . 321 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 446 . 1 1 33 ALA CA C 5.419 10.887 -0.146 . . . 1.0 . . . . . . . . . . . . A . 321 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 447 . 1 1 33 ALA CB C 6.635 11.796 -0.186 . . . 1.0 . . . . . . . . . . . . A . 321 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 448 . 1 1 33 ALA H H 6.670 9.467 0.796 . . . 1.0 . . . . . . . . . . . . A . 321 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 449 . 1 1 33 ALA HA H 4.627 11.413 0.367 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 450 . 1 1 33 ALA HB1 H 6.387 12.709 -0.709 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 451 . 1 1 33 ALA HB2 H 7.443 11.293 -0.700 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 452 . 1 1 33 ALA HB3 H 6.942 12.030 0.823 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 453 . 1 1 33 ALA N N 5.732 9.685 0.619 . . . 1.0 . . . . . . . . . . . . A . 321 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 454 . 1 1 33 ALA O O 4.235 11.350 -2.183 . . . 1.0 . . . . . . . . . . . . A . 321 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 455 . 1 1 34 CYS C C 3.583 8.665 -3.601 . . . 1.0 . . . . . . . . . . . . A . 322 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 456 . 1 1 34 CYS CA C 5.052 9.053 -3.470 . . . 1.0 . . . . . . . . . . . . A . 322 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 457 . 1 1 34 CYS CB C 5.947 7.908 -3.950 . . . 1.0 . . . . . . . . . . . . A . 322 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 458 . 1 1 34 CYS H H 5.931 8.827 -1.552 . . . 1.0 . . . . . . . . . . . . A . 322 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 459 . 1 1 34 CYS HA H 5.231 9.916 -4.094 . . . 1.0 . . . . . . . . . . . . A . 322 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 460 . 1 1 34 CYS HB2 H 5.826 7.061 -3.294 . . . 1.0 . . . . . . . . . . . . A . 322 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 461 . 1 1 34 CYS HB3 H 5.648 7.624 -4.950 . . . 1.0 . . . . . . . . . . . . A . 322 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 462 . 1 1 34 CYS N N 5.382 9.427 -2.095 . . . 1.0 . . . . . . . . . . . . A . 322 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 463 . 1 1 34 CYS O O 3.008 8.735 -4.690 . . . 1.0 . . . . . . . . . . . . A . 322 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 464 . 1 1 34 CYS SG S 7.722 8.318 -4.000 . . . 1.0 . . . . . . . . . . . . A . 322 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 465 . 1 1 35 LEU C C 0.678 9.100 -2.705 . . . 1.0 . . . . . . . . . . . . A . 323 LEU C . . . . . . . . . c16510_2ke1 1 . 1 . 466 . 1 1 35 LEU CA C 1.576 7.893 -2.467 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CA . . . . . . . . . c16510_2ke1 1 . 1 . 467 . 1 1 35 LEU CB C 1.224 7.255 -1.128 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CB . . . . . . . . . c16510_2ke1 1 . 1 . 468 . 1 1 35 LEU CD1 C 1.502 5.337 0.448 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 469 . 1 1 35 LEU CD2 C 0.640 4.944 -1.862 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 470 . 1 1 35 LEU CG C 1.578 5.777 -1.003 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CG . . . . . . . . . c16510_2ke1 1 . 1 . 471 . 1 1 35 LEU H H 3.515 8.152 -1.668 . . . 1.0 . . . . . . . . . . . . A . 323 LEU H . . . . . . . . . c16510_2ke1 1 . 1 . 472 . 1 1 35 LEU HA H 1.403 7.172 -3.251 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HA . . . . . . . . . c16510_2ke1 1 . 1 . 473 . 1 1 35 LEU HB2 H 1.743 7.796 -0.351 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 474 . 1 1 35 LEU HB3 H 0.162 7.361 -0.970 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 475 . 1 1 35 LEU HD11 H 0.496 5.480 0.815 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 476 . 1 1 35 LEU HD12 H 2.187 5.924 1.040 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 477 . 1 1 35 LEU HD13 H 1.766 4.291 0.521 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 478 . 1 1 35 LEU HD21 H 0.702 5.274 -2.889 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 1 . 479 . 1 1 35 LEU HD22 H -0.373 5.062 -1.507 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 1 . 480 . 1 1 35 LEU HD23 H 0.924 3.904 -1.803 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 1 . 481 . 1 1 35 LEU HG H 2.588 5.620 -1.353 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HG . . . . . . . . . c16510_2ke1 1 . 1 . 482 . 1 1 35 LEU N N 2.988 8.245 -2.493 . . . 1.0 . . . . . . . . . . . . A . 323 LEU N . . . . . . . . . c16510_2ke1 1 . 1 . 483 . 1 1 35 LEU O O 1.091 10.245 -2.539 . . . 1.0 . . . . . . . . . . . . A . 323 LEU O . . . . . . . . . c16510_2ke1 1 . 1 . 484 . 1 1 36 SER C C -2.903 9.280 -2.766 . . . 1.0 . . . . . . . . . . . . A . 324 SER C . . . . . . . . . c16510_2ke1 1 . 1 . 485 . 1 1 36 SER CA C -1.568 9.836 -3.257 . . . 1.0 . . . . . . . . . . . . A . 324 SER CA . . . . . . . . . c16510_2ke1 1 . 1 . 486 . 1 1 36 SER CB C -1.672 10.281 -4.713 . . . 1.0 . . . . . . . . . . . . A . 324 SER CB . . . . . . . . . c16510_2ke1 1 . 1 . 487 . 1 1 36 SER H H -0.767 7.900 -3.343 . . . 1.0 . . . . . . . . . . . . A . 324 SER H . . . . . . . . . c16510_2ke1 1 . 1 . 488 . 1 1 36 SER HA H -1.289 10.681 -2.648 . . . 1.0 . . . . . . . . . . . . A . 324 SER HA . . . . . . . . . c16510_2ke1 1 . 1 . 489 . 1 1 36 SER HB2 H -0.715 10.657 -5.030 . . . 1.0 . . . . . . . . . . . . A . 324 SER HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 490 . 1 1 36 SER HB3 H -1.942 9.432 -5.321 . . . 1.0 . . . . . . . . . . . . A . 324 SER HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 491 . 1 1 36 SER HG H -2.822 11.416 -5.830 . . . 1.0 . . . . . . . . . . . . A . 324 SER HG . . . . . . . . . c16510_2ke1 1 . 1 . 492 . 1 1 36 SER N N -0.544 8.822 -3.118 . . . 1.0 . . . . . . . . . . . . A . 324 SER N . . . . . . . . . c16510_2ke1 1 . 1 . 493 . 1 1 36 SER O O -3.495 8.421 -3.421 . . . 1.0 . . . . . . . . . . . . A . 324 SER O . . . . . . . . . c16510_2ke1 1 . 1 . 494 . 1 1 36 SER OG O -2.646 11.300 -4.886 . . . 1.0 . . . . . . . . . . . . A . 324 SER OG . . . . . . . . . c16510_2ke1 1 . 1 . 495 . 1 1 37 PRO C C -1.464 10.231 -0.101 . . . 1.0 . . . . . . . . . . . . A . 325 PRO C . . . . . . . . . c16510_2ke1 1 . 1 . 496 . 1 1 37 PRO CA C -2.726 10.761 -0.781 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CA . . . . . . . . . c16510_2ke1 1 . 1 . 497 . 1 1 37 PRO CB C -3.781 11.126 0.275 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CB . . . . . . . . . c16510_2ke1 1 . 1 . 498 . 1 1 37 PRO CD C -4.656 9.308 -0.993 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CD . . . . . . . . . c16510_2ke1 1 . 1 . 499 . 1 1 37 PRO CG C -5.055 10.514 -0.202 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CG . . . . . . . . . c16510_2ke1 1 . 1 . 500 . 1 1 37 PRO HA H -2.474 11.638 -1.364 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HA . . . . . . . . . c16510_2ke1 1 . 1 . 501 . 1 1 37 PRO HB2 H -3.485 10.720 1.232 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 502 . 1 1 37 PRO HB3 H -3.862 12.199 0.346 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 503 . 1 1 37 PRO HD2 H -4.504 8.459 -0.340 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 504 . 1 1 37 PRO HD3 H -5.397 9.084 -1.747 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 505 . 1 1 37 PRO HG2 H -5.664 10.224 0.643 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 506 . 1 1 37 PRO HG3 H -5.588 11.214 -0.827 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 507 . 1 1 37 PRO N N -3.395 9.742 -1.604 . . . 1.0 . . . . . . . . . . . . A . 325 PRO N . . . . . . . . . c16510_2ke1 1 . 1 . 508 . 1 1 37 PRO O O -1.399 9.067 0.292 . . . 1.0 . . . . . . . . . . . . A . 325 PRO O . . . . . . . . . c16510_2ke1 1 . 1 . 509 . 1 1 38 PRO C C 0.718 10.500 2.146 . . . 1.0 . . . . . . . . . . . . A . 326 PRO C . . . . . . . . . c16510_2ke1 1 . 1 . 510 . 1 1 38 PRO CA C 0.833 10.723 0.642 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CA . . . . . . . . . c16510_2ke1 1 . 1 . 511 . 1 1 38 PRO CB C 1.749 11.923 0.356 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CB . . . . . . . . . c16510_2ke1 1 . 1 . 512 . 1 1 38 PRO CD C -0.454 12.487 -0.421 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CD . . . . . . . . . c16510_2ke1 1 . 1 . 513 . 1 1 38 PRO CG C 1.003 12.800 -0.597 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CG . . . . . . . . . c16510_2ke1 1 . 1 . 514 . 1 1 38 PRO HA H 1.249 9.837 0.184 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HA . . . . . . . . . c16510_2ke1 1 . 1 . 515 . 1 1 38 PRO HB2 H 1.960 12.440 1.279 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 516 . 1 1 38 PRO HB3 H 2.673 11.572 -0.079 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 517 . 1 1 38 PRO HD2 H -0.896 13.132 0.323 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 518 . 1 1 38 PRO HD3 H -0.975 12.582 -1.363 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 519 . 1 1 38 PRO HG2 H 1.191 13.837 -0.362 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 520 . 1 1 38 PRO HG3 H 1.312 12.585 -1.609 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 521 . 1 1 38 PRO N N -0.444 11.090 0.030 . . . 1.0 . . . . . . . . . . . . A . 326 PRO N . . . . . . . . . c16510_2ke1 1 . 1 . 522 . 1 1 38 PRO O O 0.103 11.297 2.861 . . . 1.0 . . . . . . . . . . . . A . 326 PRO O . . . . . . . . . c16510_2ke1 1 . 1 . 523 . 1 1 39 LEU C C 2.509 9.932 4.661 . . . 1.0 . . . . . . . . . . . . A . 327 LEU C . . . . . . . . . c16510_2ke1 1 . 1 . 524 . 1 1 39 LEU CA C 1.380 9.119 4.039 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CA . . . . . . . . . c16510_2ke1 1 . 1 . 525 . 1 1 39 LEU CB C 1.637 7.619 4.270 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CB . . . . . . . . . c16510_2ke1 1 . 1 . 526 . 1 1 39 LEU CD1 C -0.378 6.810 5.535 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 527 . 1 1 39 LEU CD2 C -0.482 6.969 3.044 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 528 . 1 1 39 LEU CG C 0.412 6.688 4.244 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CG . . . . . . . . . c16510_2ke1 1 . 1 . 529 . 1 1 39 LEU H H 1.712 8.779 1.986 . . . 1.0 . . . . . . . . . . . . A . 327 LEU H . . . . . . . . . c16510_2ke1 1 . 1 . 530 . 1 1 39 LEU HA H 0.441 9.399 4.496 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HA . . . . . . . . . c16510_2ke1 1 . 1 . 531 . 1 1 39 LEU HB2 H 2.327 7.281 3.512 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 532 . 1 1 39 LEU HB3 H 2.116 7.512 5.233 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 533 . 1 1 39 LEU HD11 H 0.189 6.367 6.346 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 534 . 1 1 39 LEU HD12 H -1.320 6.290 5.431 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 535 . 1 1 39 LEU HD13 H -0.563 7.851 5.751 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 536 . 1 1 39 LEU HD21 H 0.084 6.825 2.135 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 1 . 537 . 1 1 39 LEU HD22 H -0.838 7.986 3.090 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 1 . 538 . 1 1 39 LEU HD23 H -1.323 6.291 3.053 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 1 . 539 . 1 1 39 LEU HG H 0.757 5.667 4.168 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HG . . . . . . . . . c16510_2ke1 1 . 1 . 540 . 1 1 39 LEU N N 1.305 9.409 2.616 . . . 1.0 . . . . . . . . . . . . A . 327 LEU N . . . . . . . . . c16510_2ke1 1 . 1 . 541 . 1 1 39 LEU O O 3.612 9.969 4.128 . . . 1.0 . . . . . . . . . . . . A . 327 LEU O . . . . . . . . . c16510_2ke1 1 . 1 . 542 . 1 1 40 ARG C C 3.732 10.518 7.667 . . . 1.0 . . . . . . . . . . . . A . 328 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 543 . 1 1 40 ARG CA C 3.268 11.342 6.479 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 544 . 1 1 40 ARG CB C 2.744 12.696 6.962 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 545 . 1 1 40 ARG CD C 1.526 13.979 8.744 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 546 . 1 1 40 ARG CG C 1.833 12.607 8.176 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 547 . 1 1 40 ARG CZ C 0.736 14.934 10.876 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 548 . 1 1 40 ARG H H 1.312 10.588 6.120 . . . 1.0 . . . . . . . . . . . . A . 328 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 549 . 1 1 40 ARG HA H 4.099 11.495 5.805 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 550 . 1 1 40 ARG HB2 H 3.585 13.323 7.217 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 551 . 1 1 40 ARG HB3 H 2.192 13.159 6.159 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 552 . 1 1 40 ARG HD2 H 2.448 14.534 8.833 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 553 . 1 1 40 ARG HD3 H 0.860 14.495 8.067 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 554 . 1 1 40 ARG HE H 0.579 13.003 10.356 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 555 . 1 1 40 ARG HG2 H 0.907 12.135 7.885 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 556 . 1 1 40 ARG HG3 H 2.320 12.013 8.935 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 557 . 1 1 40 ARG HH11 H 1.575 16.283 9.617 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 558 . 1 1 40 ARG HH12 H 1.035 16.927 11.139 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 559 . 1 1 40 ARG HH21 H -0.137 13.847 12.341 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 560 . 1 1 40 ARG HH22 H 0.045 15.542 12.684 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 561 . 1 1 40 ARG N N 2.232 10.601 5.765 . . . 1.0 . . . . . . . . . . . . A . 328 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 562 . 1 1 40 ARG NE N 0.895 13.896 10.060 . . . 1.0 . . . . . . . . . . . . A . 328 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 563 . 1 1 40 ARG NH1 N 1.146 16.142 10.512 . . . 1.0 . . . . . . . . . . . . A . 328 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 564 . 1 1 40 ARG NH2 N 0.169 14.759 12.060 . . . 1.0 . . . . . . . . . . . . A . 328 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 565 . 1 1 40 ARG O O 4.808 10.731 8.226 . . . 1.0 . . . . . . . . . . . . A . 328 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 566 . 1 1 41 GLU C C 2.543 7.338 8.920 . . . 1.0 . . . . . . . . . . . . A . 329 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 567 . 1 1 41 GLU CA C 3.123 8.720 9.186 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 568 . 1 1 41 GLU CB C 2.491 9.341 10.436 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 569 . 1 1 41 GLU CD C 0.418 10.371 11.462 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 570 . 1 1 41 GLU CG C 1.006 9.629 10.282 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 571 . 1 1 41 GLU H H 2.069 9.446 7.512 . . . 1.0 . . . . . . . . . . . . A . 329 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 572 . 1 1 41 GLU HA H 4.191 8.635 9.328 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 573 . 1 1 41 GLU HB2 H 2.621 8.662 11.266 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 574 . 1 1 41 GLU HB3 H 2.996 10.269 10.659 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 575 . 1 1 41 GLU HG2 H 0.861 10.228 9.395 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 576 . 1 1 41 GLU HG3 H 0.483 8.691 10.170 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 577 . 1 1 41 GLU N N 2.887 9.574 8.039 . . . 1.0 . . . . . . . . . . . . A . 329 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 578 . 1 1 41 GLU O O 1.581 7.198 8.162 . . . 1.0 . . . . . . . . . . . . A . 329 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 579 . 1 1 41 GLU OE1 O 0.281 9.764 12.541 . . . 1.0 . . . . . . . . . . . . A . 329 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 580 . 1 1 41 GLU OE2 O 0.085 11.570 11.313 . . . 1.0 . . . . . . . . . . . . A . 329 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 581 . 1 1 42 ILE C C 1.411 4.625 9.996 . . . 1.0 . . . . . . . . . . . . A . 330 ILE C . . . . . . . . . c16510_2ke1 1 . 1 . 582 . 1 1 42 ILE CA C 2.732 4.948 9.298 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CA . . . . . . . . . c16510_2ke1 1 . 1 . 583 . 1 1 42 ILE CB C 3.826 3.954 9.752 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CB . . . . . . . . . c16510_2ke1 1 . 1 . 584 . 1 1 42 ILE CD1 C 4.849 3.950 7.419 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 585 . 1 1 42 ILE CG1 C 5.086 4.140 8.903 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CG1 . . . . . . . . . c16510_2ke1 1 . 1 . 586 . 1 1 42 ILE CG2 C 3.323 2.519 9.662 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 587 . 1 1 42 ILE H H 3.878 6.510 10.153 . . . 1.0 . . . . . . . . . . . . A . 330 ILE H . . . . . . . . . c16510_2ke1 1 . 1 . 588 . 1 1 42 ILE HA H 2.593 4.827 8.234 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HA . . . . . . . . . c16510_2ke1 1 . 1 . 589 . 1 1 42 ILE HB H 4.063 4.161 10.786 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HB . . . . . . . . . c16510_2ke1 1 . 1 . 590 . 1 1 42 ILE HD11 H 4.100 4.652 7.082 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 591 . 1 1 42 ILE HD12 H 4.505 2.943 7.237 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 592 . 1 1 42 ILE HD13 H 5.770 4.119 6.882 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 593 . 1 1 42 ILE HG12 H 5.466 5.140 9.048 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG12 . . . . . . . . . c16510_2ke1 1 . 1 . 594 . 1 1 42 ILE HG13 H 5.833 3.425 9.216 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG13 . . . . . . . . . c16510_2ke1 1 . 1 . 595 . 1 1 42 ILE HG21 H 4.128 1.839 9.902 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 596 . 1 1 42 ILE HG22 H 2.970 2.325 8.658 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 597 . 1 1 42 ILE HG23 H 2.511 2.379 10.360 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 598 . 1 1 42 ILE N N 3.139 6.326 9.530 . . . 1.0 . . . . . . . . . . . . A . 330 ILE N . . . . . . . . . c16510_2ke1 1 . 1 . 599 . 1 1 42 ILE O O 1.241 4.890 11.189 . . . 1.0 . . . . . . . . . . . . A . 330 ILE O . . . . . . . . . c16510_2ke1 1 . 1 . 600 . 1 1 43 PRO C C -0.850 2.329 10.447 . . . 1.0 . . . . . . . . . . . . A . 331 PRO C . . . . . . . . . c16510_2ke1 1 . 1 . 601 . 1 1 43 PRO CA C -0.854 3.677 9.740 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CA . . . . . . . . . c16510_2ke1 1 . 1 . 602 . 1 1 43 PRO CB C -1.720 3.589 8.479 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CB . . . . . . . . . c16510_2ke1 1 . 1 . 603 . 1 1 43 PRO CD C 0.595 3.734 7.825 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CD . . . . . . . . . c16510_2ke1 1 . 1 . 604 . 1 1 43 PRO CG C -0.811 3.819 7.313 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CG . . . . . . . . . c16510_2ke1 1 . 1 . 605 . 1 1 43 PRO HA H -1.257 4.425 10.397 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HA . . . . . . . . . c16510_2ke1 1 . 1 . 606 . 1 1 43 PRO HB2 H -2.167 2.610 8.432 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 607 . 1 1 43 PRO HB3 H -2.493 4.337 8.528 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 608 . 1 1 43 PRO HD2 H 0.978 2.740 7.696 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 609 . 1 1 43 PRO HD3 H 1.228 4.448 7.325 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 610 . 1 1 43 PRO HG2 H -0.978 3.056 6.572 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 611 . 1 1 43 PRO HG3 H -0.994 4.793 6.888 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 612 . 1 1 43 PRO N N 0.459 4.055 9.239 . . . 1.0 . . . . . . . . . . . . A . 331 PRO N . . . . . . . . . c16510_2ke1 1 . 1 . 613 . 1 1 43 PRO O O -0.267 1.358 9.960 . . . 1.0 . . . . . . . . . . . . A . 331 PRO O . . . . . . . . . c16510_2ke1 1 . 1 . 614 . 1 1 44 SER C C -2.875 0.269 11.927 . . . 1.0 . . . . . . . . . . . . A . 332 SER C . . . . . . . . . c16510_2ke1 1 . 1 . 615 . 1 1 44 SER CA C -1.623 1.034 12.341 . . . 1.0 . . . . . . . . . . . . A . 332 SER CA . . . . . . . . . c16510_2ke1 1 . 1 . 616 . 1 1 44 SER CB C -1.648 1.347 13.841 . . . 1.0 . . . . . . . . . . . . A . 332 SER CB . . . . . . . . . c16510_2ke1 1 . 1 . 617 . 1 1 44 SER H H -1.997 3.068 11.904 . . . 1.0 . . . . . . . . . . . . A . 332 SER H . . . . . . . . . c16510_2ke1 1 . 1 . 618 . 1 1 44 SER HA H -0.754 0.432 12.116 . . . 1.0 . . . . . . . . . . . . A . 332 SER HA . . . . . . . . . c16510_2ke1 1 . 1 . 619 . 1 1 44 SER HB2 H -0.758 1.899 14.103 . . . 1.0 . . . . . . . . . . . . A . 332 SER HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 620 . 1 1 44 SER HB3 H -2.519 1.945 14.066 . . . 1.0 . . . . . . . . . . . . A . 332 SER HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 621 . 1 1 44 SER HG H -1.143 0.280 15.418 . . . 1.0 . . . . . . . . . . . . A . 332 SER HG . . . . . . . . . c16510_2ke1 1 . 1 . 622 . 1 1 44 SER N N -1.528 2.265 11.577 . . . 1.0 . . . . . . . . . . . . A . 332 SER N . . . . . . . . . c16510_2ke1 1 . 1 . 623 . 1 1 44 SER O O -3.999 0.734 12.136 . . . 1.0 . . . . . . . . . . . . A . 332 SER O . . . . . . . . . c16510_2ke1 1 . 1 . 624 . 1 1 44 SER OG O -1.691 0.162 14.622 . . . 1.0 . . . . . . . . . . . . A . 332 SER OG . . . . . . . . . c16510_2ke1 1 . 1 . 625 . 1 1 45 GLY C C -3.487 -2.295 9.488 . . . 1.0 . . . . . . . . . . . . A . 333 GLY C . . . . . . . . . c16510_2ke1 1 . 1 . 626 . 1 1 45 GLY CA C -3.797 -1.656 10.819 . . . 1.0 . . . . . . . . . . . . A . 333 GLY CA . . . . . . . . . c16510_2ke1 1 . 1 . 627 . 1 1 45 GLY H H -1.768 -1.247 11.226 . . . 1.0 . . . . . . . . . . . . A . 333 GLY H . . . . . . . . . c16510_2ke1 1 . 1 . 628 . 1 1 45 GLY HA2 H -4.035 -2.430 11.532 . . . 1.0 . . . . . . . . . . . . A . 333 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 1 . 629 . 1 1 45 GLY HA3 H -4.651 -1.006 10.704 . . . 1.0 . . . . . . . . . . . . A . 333 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 1 . 630 . 1 1 45 GLY N N -2.680 -0.886 11.313 . . . 1.0 . . . . . . . . . . . . A . 333 GLY N . . . . . . . . . c16510_2ke1 1 . 1 . 631 . 1 1 45 GLY O O -2.332 -2.317 9.049 . . . 1.0 . . . . . . . . . . . . A . 333 GLY O . . . . . . . . . c16510_2ke1 1 . 1 . 632 . 1 1 46 THR C C -4.481 -2.237 6.475 . . . 1.0 . . . . . . . . . . . . A . 334 THR C . . . . . . . . . c16510_2ke1 1 . 1 . 633 . 1 1 46 THR CA C -4.383 -3.347 7.506 . . . 1.0 . . . . . . . . . . . . A . 334 THR CA . . . . . . . . . c16510_2ke1 1 . 1 . 634 . 1 1 46 THR CB C -5.442 -4.422 7.208 . . . 1.0 . . . . . . . . . . . . A . 334 THR CB . . . . . . . . . c16510_2ke1 1 . 1 . 635 . 1 1 46 THR CG2 C -5.058 -5.749 7.840 . . . 1.0 . . . . . . . . . . . . A . 334 THR CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 636 . 1 1 46 THR H H -5.406 -2.771 9.267 . . . 1.0 . . . . . . . . . . . . A . 334 THR H . . . . . . . . . c16510_2ke1 1 . 1 . 637 . 1 1 46 THR HA H -3.405 -3.804 7.436 . . . 1.0 . . . . . . . . . . . . A . 334 THR HA . . . . . . . . . c16510_2ke1 1 . 1 . 638 . 1 1 46 THR HB H -5.490 -4.557 6.135 . . . 1.0 . . . . . . . . . . . . A . 334 THR HB . . . . . . . . . c16510_2ke1 1 . 1 . 639 . 1 1 46 THR HG1 H -6.683 -3.100 8.018 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG1 . . . . . . . . . c16510_2ke1 1 . 1 . 640 . 1 1 46 THR HG21 H -4.920 -5.617 8.904 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 641 . 1 1 46 THR HG22 H -4.138 -6.101 7.396 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 642 . 1 1 46 THR HG23 H -5.842 -6.471 7.664 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 643 . 1 1 46 THR N N -4.520 -2.796 8.839 . . . 1.0 . . . . . . . . . . . . A . 334 THR N . . . . . . . . . c16510_2ke1 1 . 1 . 644 . 1 1 46 THR O O -5.570 -1.746 6.171 . . . 1.0 . . . . . . . . . . . . A . 334 THR O . . . . . . . . . c16510_2ke1 1 . 1 . 645 . 1 1 46 THR OG1 O -6.735 -4.008 7.680 . . . 1.0 . . . . . . . . . . . . A . 334 THR OG1 . . . . . . . . . c16510_2ke1 1 . 1 . 646 . 1 1 47 TRP C C -3.547 -1.222 3.602 . . . 1.0 . . . . . . . . . . . . A . 335 TRP C . . . . . . . . . c16510_2ke1 1 . 1 . 647 . 1 1 47 TRP CA C -3.278 -0.732 5.015 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CA . . . . . . . . . c16510_2ke1 1 . 1 . 648 . 1 1 47 TRP CB C -1.916 -0.036 5.089 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CB . . . . . . . . . c16510_2ke1 1 . 1 . 649 . 1 1 47 TRP CD1 C -2.272 2.419 4.446 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 650 . 1 1 47 TRP CD2 C -1.239 1.200 2.882 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 651 . 1 1 47 TRP CE2 C -1.381 2.515 2.404 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CE2 . . . . . . . . . c16510_2ke1 1 . 1 . 652 . 1 1 47 TRP CE3 C -0.617 0.251 2.070 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CE3 . . . . . . . . . c16510_2ke1 1 . 1 . 653 . 1 1 47 TRP CG C -1.817 1.158 4.189 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CG . . . . . . . . . c16510_2ke1 1 . 1 . 654 . 1 1 47 TRP CH2 C -0.319 1.951 0.375 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CH2 . . . . . . . . . c16510_2ke1 1 . 1 . 655 . 1 1 47 TRP CZ2 C -0.925 2.902 1.147 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CZ2 . . . . . . . . . c16510_2ke1 1 . 1 . 656 . 1 1 47 TRP CZ3 C -0.163 0.637 0.825 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CZ3 . . . . . . . . . c16510_2ke1 1 . 1 . 657 . 1 1 47 TRP H H -2.521 -2.325 6.180 . . . 1.0 . . . . . . . . . . . . A . 335 TRP H . . . . . . . . . c16510_2ke1 1 . 1 . 658 . 1 1 47 TRP HA H -4.048 -0.025 5.290 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HA . . . . . . . . . c16510_2ke1 1 . 1 . 659 . 1 1 47 TRP HB2 H -1.743 0.293 6.100 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 660 . 1 1 47 TRP HB3 H -1.144 -0.737 4.805 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 661 . 1 1 47 TRP HD1 H -2.763 2.713 5.362 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HD1 . . . . . . . . . c16510_2ke1 1 . 1 . 662 . 1 1 47 TRP HE1 H -2.251 4.190 3.315 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HE1 . . . . . . . . . c16510_2ke1 1 . 1 . 663 . 1 1 47 TRP HE3 H -0.487 -0.769 2.401 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HE3 . . . . . . . . . c16510_2ke1 1 . 1 . 664 . 1 1 47 TRP HH2 H 0.051 2.207 -0.607 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HH2 . . . . . . . . . c16510_2ke1 1 . 1 . 665 . 1 1 47 TRP HZ2 H -1.040 3.912 0.783 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HZ2 . . . . . . . . . c16510_2ke1 1 . 1 . 666 . 1 1 47 TRP HZ3 H 0.321 -0.082 0.183 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HZ3 . . . . . . . . . c16510_2ke1 1 . 1 . 667 . 1 1 47 TRP N N -3.337 -1.840 5.950 . . . 1.0 . . . . . . . . . . . . A . 335 TRP N . . . . . . . . . c16510_2ke1 1 . 1 . 668 . 1 1 47 TRP NE1 N -2.016 3.240 3.376 . . . 1.0 . . . . . . . . . . . . A . 335 TRP NE1 . . . . . . . . . c16510_2ke1 1 . 1 . 669 . 1 1 47 TRP O O -3.132 -2.320 3.227 . . . 1.0 . . . . . . . . . . . . A . 335 TRP O . . . . . . . . . c16510_2ke1 1 . 1 . 670 . 1 1 48 ARG C C -4.150 0.325 0.498 . . . 1.0 . . . . . . . . . . . . A . 336 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 671 . 1 1 48 ARG CA C -4.606 -0.757 1.468 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 672 . 1 1 48 ARG CB C -6.119 -0.933 1.366 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 673 . 1 1 48 ARG CD C -8.157 -2.241 1.955 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 674 . 1 1 48 ARG CG C -6.644 -2.196 2.021 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 675 . 1 1 48 ARG CZ C -9.840 -3.629 3.096 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 676 . 1 1 48 ARG H H -4.524 0.471 3.175 . . . 1.0 . . . . . . . . . . . . A . 336 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 677 . 1 1 48 ARG HA H -4.120 -1.687 1.216 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 678 . 1 1 48 ARG HB2 H -6.597 -0.089 1.838 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 679 . 1 1 48 ARG HB3 H -6.398 -0.953 0.325 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 680 . 1 1 48 ARG HD2 H -8.553 -1.450 2.572 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 681 . 1 1 48 ARG HD3 H -8.459 -2.081 0.931 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 682 . 1 1 48 ARG HE H -8.209 -4.331 2.170 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 683 . 1 1 48 ARG HG2 H -6.243 -3.055 1.502 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 684 . 1 1 48 ARG HG3 H -6.332 -2.214 3.055 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 685 . 1 1 48 ARG HH11 H -10.102 -1.634 3.297 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 686 . 1 1 48 ARG HH12 H -11.349 -2.611 4.011 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 687 . 1 1 48 ARG HH21 H -9.840 -5.658 3.095 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 688 . 1 1 48 ARG HH22 H -11.192 -4.922 3.905 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 689 . 1 1 48 ARG N N -4.245 -0.409 2.828 . . . 1.0 . . . . . . . . . . . . A . 336 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 690 . 1 1 48 ARG NE N -8.701 -3.516 2.415 . . . 1.0 . . . . . . . . . . . . A . 336 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 691 . 1 1 48 ARG NH1 N -10.477 -2.537 3.500 . . . 1.0 . . . . . . . . . . . . A . 336 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 692 . 1 1 48 ARG NH2 N -10.327 -4.833 3.389 . . . 1.0 . . . . . . . . . . . . A . 336 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 693 . 1 1 48 ARG O O -4.269 1.515 0.786 . . . 1.0 . . . . . . . . . . . . A . 336 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 694 . 1 1 49 CYS C C -4.415 1.528 -2.303 . . . 1.0 . . . . . . . . . . . . A . 337 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 695 . 1 1 49 CYS CA C -3.198 0.845 -1.681 . . . 1.0 . . . . . . . . . . . . A . 337 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 696 . 1 1 49 CYS CB C -2.393 0.121 -2.761 . . . 1.0 . . . . . . . . . . . . A . 337 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 697 . 1 1 49 CYS H H -3.471 -1.053 -0.779 . . . 1.0 . . . . . . . . . . . . A . 337 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 698 . 1 1 49 CYS HA H -2.567 1.595 -1.226 . . . 1.0 . . . . . . . . . . . . A . 337 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 699 . 1 1 49 CYS HB2 H -2.112 0.829 -3.526 . . . 1.0 . . . . . . . . . . . . A . 337 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 700 . 1 1 49 CYS HB3 H -1.499 -0.292 -2.316 . . . 1.0 . . . . . . . . . . . . A . 337 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 701 . 1 1 49 CYS N N -3.610 -0.094 -0.644 . . . 1.0 . . . . . . . . . . . . A . 337 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 702 . 1 1 49 CYS O O -5.555 1.130 -2.038 . . . 1.0 . . . . . . . . . . . . A . 337 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 703 . 1 1 49 CYS SG S -3.287 -1.242 -3.572 . . . 1.0 . . . . . . . . . . . . A . 337 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 704 . 1 1 50 SER C C -6.251 2.438 -4.482 . . . 1.0 . . . . . . . . . . . . A . 338 SER C . . . . . . . . . c16510_2ke1 1 . 1 . 705 . 1 1 50 SER CA C -5.262 3.317 -3.717 . . . 1.0 . . . . . . . . . . . . A . 338 SER CA . . . . . . . . . c16510_2ke1 1 . 1 . 706 . 1 1 50 SER CB C -4.684 4.397 -4.635 . . . 1.0 . . . . . . . . . . . . A . 338 SER CB . . . . . . . . . c16510_2ke1 1 . 1 . 707 . 1 1 50 SER H H -3.248 2.750 -3.375 . . . 1.0 . . . . . . . . . . . . A . 338 SER H . . . . . . . . . c16510_2ke1 1 . 1 . 708 . 1 1 50 SER HA H -5.784 3.794 -2.902 . . . 1.0 . . . . . . . . . . . . A . 338 SER HA . . . . . . . . . c16510_2ke1 1 . 1 . 709 . 1 1 50 SER HB2 H -4.250 3.935 -5.510 . . . 1.0 . . . . . . . . . . . . A . 338 SER HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 710 . 1 1 50 SER HB3 H -5.474 5.069 -4.936 . . . 1.0 . . . . . . . . . . . . A . 338 SER HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 711 . 1 1 50 SER HG H -4.048 5.982 -3.667 . . . 1.0 . . . . . . . . . . . . A . 338 SER HG . . . . . . . . . c16510_2ke1 1 . 1 . 712 . 1 1 50 SER N N -4.179 2.526 -3.142 . . . 1.0 . . . . . . . . . . . . A . 338 SER N . . . . . . . . . c16510_2ke1 1 . 1 . 713 . 1 1 50 SER O O -7.466 2.604 -4.353 . . . 1.0 . . . . . . . . . . . . A . 338 SER O . . . . . . . . . c16510_2ke1 1 . 1 . 714 . 1 1 50 SER OG O -3.679 5.143 -3.964 . . . 1.0 . . . . . . . . . . . . A . 338 SER OG . . . . . . . . . c16510_2ke1 1 . 1 . 715 . 1 1 51 SER C C -7.523 -0.186 -5.130 . . . 1.0 . . . . . . . . . . . . A . 339 SER C . . . . . . . . . c16510_2ke1 1 . 1 . 716 . 1 1 51 SER CA C -6.552 0.578 -6.032 . . . 1.0 . . . . . . . . . . . . A . 339 SER CA . . . . . . . . . c16510_2ke1 1 . 1 . 717 . 1 1 51 SER CB C -5.674 -0.403 -6.819 . . . 1.0 . . . . . . . . . . . . A . 339 SER CB . . . . . . . . . c16510_2ke1 1 . 1 . 718 . 1 1 51 SER H H -4.749 1.392 -5.288 . . . 1.0 . . . . . . . . . . . . A . 339 SER H . . . . . . . . . c16510_2ke1 1 . 1 . 719 . 1 1 51 SER HA H -7.124 1.173 -6.728 . . . 1.0 . . . . . . . . . . . . A . 339 SER HA . . . . . . . . . c16510_2ke1 1 . 1 . 720 . 1 1 51 SER HB2 H -4.943 0.150 -7.390 . . . 1.0 . . . . . . . . . . . . A . 339 SER HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 721 . 1 1 51 SER HB3 H -5.166 -1.062 -6.129 . . . 1.0 . . . . . . . . . . . . A . 339 SER HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 722 . 1 1 51 SER HG H -6.061 -2.058 -7.803 . . . 1.0 . . . . . . . . . . . . A . 339 SER HG . . . . . . . . . c16510_2ke1 1 . 1 . 723 . 1 1 51 SER N N -5.722 1.485 -5.247 . . . 1.0 . . . . . . . . . . . . A . 339 SER N . . . . . . . . . c16510_2ke1 1 . 1 . 724 . 1 1 51 SER O O -8.702 -0.327 -5.450 . . . 1.0 . . . . . . . . . . . . A . 339 SER O . . . . . . . . . c16510_2ke1 1 . 1 . 725 . 1 1 51 SER OG O -6.452 -1.184 -7.711 . . . 1.0 . . . . . . . . . . . . A . 339 SER OG . . . . . . . . . c16510_2ke1 1 . 1 . 726 . 1 1 52 CYS C C -8.952 -0.533 -2.456 . . . 1.0 . . . . . . . . . . . . A . 340 CYS C . . . . . . . . . c16510_2ke1 1 . 1 . 727 . 1 1 52 CYS CA C -7.833 -1.396 -3.035 . . . 1.0 . . . . . . . . . . . . A . 340 CYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 728 . 1 1 52 CYS CB C -6.956 -1.934 -1.909 . . . 1.0 . . . . . . . . . . . . A . 340 CYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 729 . 1 1 52 CYS H H -6.083 -0.467 -3.778 . . . 1.0 . . . . . . . . . . . . A . 340 CYS H . . . . . . . . . c16510_2ke1 1 . 1 . 730 . 1 1 52 CYS HA H -8.276 -2.228 -3.560 . . . 1.0 . . . . . . . . . . . . A . 340 CYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 731 . 1 1 52 CYS HB2 H -6.377 -1.119 -1.503 . . . 1.0 . . . . . . . . . . . . A . 340 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 732 . 1 1 52 CYS HB3 H -7.582 -2.349 -1.131 . . . 1.0 . . . . . . . . . . . . A . 340 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 733 . 1 1 52 CYS N N -7.023 -0.646 -3.990 . . . 1.0 . . . . . . . . . . . . A . 340 CYS N . . . . . . . . . c16510_2ke1 1 . 1 . 734 . 1 1 52 CYS O O -10.087 -0.984 -2.323 . . . 1.0 . . . . . . . . . . . . A . 340 CYS O . . . . . . . . . c16510_2ke1 1 . 1 . 735 . 1 1 52 CYS SG S -5.785 -3.224 -2.430 . . . 1.0 . . . . . . . . . . . . A . 340 CYS SG . . . . . . . . . c16510_2ke1 1 . 1 . 736 . 1 1 53 LEU C C -10.628 2.056 -2.571 . . . 1.0 . . . . . . . . . . . . A . 341 LEU C . . . . . . . . . c16510_2ke1 1 . 1 . 737 . 1 1 53 LEU CA C -9.606 1.622 -1.535 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CA . . . . . . . . . c16510_2ke1 1 . 1 . 738 . 1 1 53 LEU CB C -8.903 2.853 -0.951 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CB . . . . . . . . . c16510_2ke1 1 . 1 . 739 . 1 1 53 LEU CD1 C -7.158 3.845 0.542 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 1 . 740 . 1 1 53 LEU CD2 C -8.442 1.845 1.303 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 1 . 741 . 1 1 53 LEU CG C -7.835 2.560 0.105 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CG . . . . . . . . . c16510_2ke1 1 . 1 . 742 . 1 1 53 LEU H H -7.717 1.031 -2.290 . . . 1.0 . . . . . . . . . . . . A . 341 LEU H . . . . . . . . . c16510_2ke1 1 . 1 . 743 . 1 1 53 LEU HA H -10.121 1.096 -0.746 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HA . . . . . . . . . c16510_2ke1 1 . 1 . 744 . 1 1 53 LEU HB2 H -8.434 3.388 -1.764 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 745 . 1 1 53 LEU HB3 H -9.650 3.493 -0.506 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 746 . 1 1 53 LEU HD11 H -7.888 4.499 0.998 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 1 . 747 . 1 1 53 LEU HD12 H -6.724 4.333 -0.316 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 1 . 748 . 1 1 53 LEU HD13 H -6.383 3.615 1.257 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 1 . 749 . 1 1 53 LEU HD21 H -7.674 1.658 2.035 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 1 . 750 . 1 1 53 LEU HD22 H -8.873 0.908 0.985 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 1 . 751 . 1 1 53 LEU HD23 H -9.213 2.465 1.741 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 1 . 752 . 1 1 53 LEU HG H -7.080 1.916 -0.326 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HG . . . . . . . . . c16510_2ke1 1 . 1 . 753 . 1 1 53 LEU N N -8.630 0.711 -2.124 . . . 1.0 . . . . . . . . . . . . A . 341 LEU N . . . . . . . . . c16510_2ke1 1 . 1 . 754 . 1 1 53 LEU O O -11.717 2.514 -2.235 . . . 1.0 . . . . . . . . . . . . A . 341 LEU O . . . . . . . . . c16510_2ke1 1 . 1 . 755 . 1 1 54 GLN C C -11.955 1.037 -5.353 . . . 1.0 . . . . . . . . . . . . A . 342 GLN C . . . . . . . . . c16510_2ke1 1 . 1 . 756 . 1 1 54 GLN CA C -11.152 2.260 -4.925 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CA . . . . . . . . . c16510_2ke1 1 . 1 . 757 . 1 1 54 GLN CB C -10.328 2.795 -6.094 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CB . . . . . . . . . c16510_2ke1 1 . 1 . 758 . 1 1 54 GLN CD C -10.320 3.902 -8.348 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CD . . . . . . . . . c16510_2ke1 1 . 1 . 759 . 1 1 54 GLN CG C -11.151 3.490 -7.157 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CG . . . . . . . . . c16510_2ke1 1 . 1 . 760 . 1 1 54 GLN H H -9.367 1.583 -4.040 . . . 1.0 . . . . . . . . . . . . A . 342 GLN H . . . . . . . . . c16510_2ke1 1 . 1 . 761 . 1 1 54 GLN HA H -11.829 3.027 -4.582 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HA . . . . . . . . . c16510_2ke1 1 . 1 . 762 . 1 1 54 GLN HB2 H -9.604 3.498 -5.714 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 763 . 1 1 54 GLN HB3 H -9.806 1.970 -6.557 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 764 . 1 1 54 GLN HE21 H -11.509 5.462 -8.658 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 1 . 765 . 1 1 54 GLN HE22 H -10.190 5.278 -9.770 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 1 . 766 . 1 1 54 GLN HG2 H -11.928 2.819 -7.491 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 767 . 1 1 54 GLN HG3 H -11.597 4.373 -6.726 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 768 . 1 1 54 GLN N N -10.266 1.917 -3.833 . . . 1.0 . . . . . . . . . . . . A . 342 GLN N . . . . . . . . . c16510_2ke1 1 . 1 . 769 . 1 1 54 GLN NE2 N -10.711 4.988 -8.989 . . . 1.0 . . . . . . . . . . . . A . 342 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 1 . 770 . 1 1 54 GLN O O -12.907 1.136 -6.129 . . . 1.0 . . . . . . . . . . . . A . 342 GLN O . . . . . . . . . c16510_2ke1 1 . 1 . 771 . 1 1 54 GLN OE1 O -9.330 3.249 -8.687 . . . 1.0 . . . . . . . . . . . . A . 342 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 772 . 1 1 55 ALA C C -13.408 -1.714 -4.340 . . . 1.0 . . . . . . . . . . . . A . 343 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 773 . 1 1 55 ALA CA C -12.199 -1.376 -5.206 . . . 1.0 . . . . . . . . . . . . A . 343 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 774 . 1 1 55 ALA CB C -11.175 -2.501 -5.150 . . . 1.0 . . . . . . . . . . . . A . 343 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 775 . 1 1 55 ALA H H -10.898 -0.123 -4.113 . . . 1.0 . . . . . . . . . . . . A . 343 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 776 . 1 1 55 ALA HA H -12.527 -1.275 -6.228 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 777 . 1 1 55 ALA HB1 H -10.334 -2.254 -5.781 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 778 . 1 1 55 ALA HB2 H -11.628 -3.418 -5.499 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 779 . 1 1 55 ALA HB3 H -10.836 -2.631 -4.134 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 780 . 1 1 55 ALA N N -11.590 -0.117 -4.809 . . . 1.0 . . . . . . . . . . . . A . 343 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 781 . 1 1 55 ALA O O -13.756 -2.882 -4.177 . . . 1.0 . . . . . . . . . . . . A . 343 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 782 . 1 1 56 THR C C -16.425 -1.190 -4.048 . . . 1.0 . . . . . . . . . . . . A . 344 THR C . . . . . . . . . c16510_2ke1 1 . 1 . 783 . 1 1 56 THR CA C -15.295 -0.852 -3.064 . . . 1.0 . . . . . . . . . . . . A . 344 THR CA . . . . . . . . . c16510_2ke1 1 . 1 . 784 . 1 1 56 THR CB C -15.649 0.422 -2.271 . . . 1.0 . . . . . . . . . . . . A . 344 THR CB . . . . . . . . . c16510_2ke1 1 . 1 . 785 . 1 1 56 THR CG2 C -14.814 0.522 -1.002 . . . 1.0 . . . . . . . . . . . . A . 344 THR CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 786 . 1 1 56 THR H H -13.596 0.195 -3.777 . . . 1.0 . . . . . . . . . . . . A . 344 THR H . . . . . . . . . c16510_2ke1 1 . 1 . 787 . 1 1 56 THR HA H -15.187 -1.668 -2.361 . . . 1.0 . . . . . . . . . . . . A . 344 THR HA . . . . . . . . . c16510_2ke1 1 . 1 . 788 . 1 1 56 THR HB H -16.693 0.380 -1.994 . . . 1.0 . . . . . . . . . . . . A . 344 THR HB . . . . . . . . . c16510_2ke1 1 . 1 . 789 . 1 1 56 THR HG1 H -16.107 1.626 -3.766 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG1 . . . . . . . . . c16510_2ke1 1 . 1 . 790 . 1 1 56 THR HG21 H -15.008 -0.334 -0.373 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 791 . 1 1 56 THR HG22 H -15.076 1.425 -0.470 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 792 . 1 1 56 THR HG23 H -13.766 0.550 -1.261 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 793 . 1 1 56 THR N N -14.026 -0.690 -3.763 . . . 1.0 . . . . . . . . . . . . A . 344 THR N . . . . . . . . . c16510_2ke1 1 . 1 . 794 . 1 1 56 THR O O -17.319 -0.379 -4.295 . . . 1.0 . . . . . . . . . . . . A . 344 THR O . . . . . . . . . c16510_2ke1 1 . 1 . 795 . 1 1 56 THR OG1 O -15.426 1.583 -3.085 . . . 1.0 . . . . . . . . . . . . A . 344 THR OG1 . . . . . . . . . c16510_2ke1 1 . 1 . 796 . 1 1 57 VAL C C -18.729 -2.954 -5.020 . . . 1.0 . . . . . . . . . . . . A . 345 VAL C . . . . . . . . . c16510_2ke1 1 . 1 . 797 . 1 1 57 VAL CA C -17.319 -2.859 -5.609 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CA . . . . . . . . . c16510_2ke1 1 . 1 . 798 . 1 1 57 VAL CB C -16.906 -4.236 -6.175 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CB . . . . . . . . . c16510_2ke1 1 . 1 . 799 . 1 1 57 VAL CG1 C -17.870 -4.693 -7.261 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CG1 . . . . . . . . . c16510_2ke1 1 . 1 . 800 . 1 1 57 VAL CG2 C -15.482 -4.186 -6.710 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 801 . 1 1 57 VAL H H -15.567 -2.948 -4.414 . . . 1.0 . . . . . . . . . . . . A . 345 VAL H . . . . . . . . . c16510_2ke1 1 . 1 . 802 . 1 1 57 VAL HA H -17.332 -2.154 -6.425 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HA . . . . . . . . . c16510_2ke1 1 . 1 . 803 . 1 1 57 VAL HB H -16.942 -4.954 -5.371 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HB . . . . . . . . . c16510_2ke1 1 . 1 . 804 . 1 1 57 VAL HG11 H -17.878 -3.971 -8.062 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG11 . . . . . . . . . c16510_2ke1 1 . 1 . 805 . 1 1 57 VAL HG12 H -18.863 -4.783 -6.845 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG12 . . . . . . . . . c16510_2ke1 1 . 1 . 806 . 1 1 57 VAL HG13 H -17.552 -5.651 -7.642 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG13 . . . . . . . . . c16510_2ke1 1 . 1 . 807 . 1 1 57 VAL HG21 H -15.206 -5.159 -7.091 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 808 . 1 1 57 VAL HG22 H -14.810 -3.907 -5.912 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 809 . 1 1 57 VAL HG23 H -15.422 -3.458 -7.503 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 810 . 1 1 57 VAL N N -16.345 -2.385 -4.627 . . . 1.0 . . . . . . . . . . . . A . 345 VAL N . . . . . . . . . c16510_2ke1 1 . 1 . 811 . 1 1 57 VAL O O -19.718 -2.747 -5.725 . . . 1.0 . . . . . . . . . . . . A . 345 VAL O . . . . . . . . . c16510_2ke1 1 . 1 . 812 . 1 1 58 GLN C C -20.744 -2.066 -2.764 . . . 1.0 . . . . . . . . . . . . A . 346 GLN C . . . . . . . . . c16510_2ke1 1 . 1 . 813 . 1 1 58 GLN CA C -20.113 -3.421 -3.073 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CA . . . . . . . . . c16510_2ke1 1 . 1 . 814 . 1 1 58 GLN CB C -19.980 -4.238 -1.785 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CB . . . . . . . . . c16510_2ke1 1 . 1 . 815 . 1 1 58 GLN CD C -19.593 -6.491 -0.736 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CD . . . . . . . . . c16510_2ke1 1 . 1 . 816 . 1 1 58 GLN CG C -19.577 -5.684 -2.017 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CG . . . . . . . . . c16510_2ke1 1 . 1 . 817 . 1 1 58 GLN H H -17.996 -3.378 -3.203 . . . 1.0 . . . . . . . . . . . . A . 346 GLN H . . . . . . . . . c16510_2ke1 1 . 1 . 818 . 1 1 58 GLN HA H -20.762 -3.951 -3.755 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HA . . . . . . . . . c16510_2ke1 1 . 1 . 819 . 1 1 58 GLN HB2 H -19.236 -3.777 -1.153 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 820 . 1 1 58 GLN HB3 H -20.928 -4.234 -1.268 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 821 . 1 1 58 GLN HE21 H -21.520 -6.893 -1.002 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 1 . 822 . 1 1 58 GLN HE22 H -20.794 -7.558 0.431 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 1 . 823 . 1 1 58 GLN HG2 H -20.266 -6.132 -2.717 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 824 . 1 1 58 GLN HG3 H -18.579 -5.705 -2.426 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 825 . 1 1 58 GLN N N -18.818 -3.264 -3.729 . . . 1.0 . . . . . . . . . . . . A . 346 GLN N . . . . . . . . . c16510_2ke1 1 . 1 . 826 . 1 1 58 GLN NE2 N -20.749 -7.039 -0.405 . . . 1.0 . . . . . . . . . . . . A . 346 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 1 . 827 . 1 1 58 GLN O O -20.161 -1.021 -3.055 . . . 1.0 . . . . . . . . . . . . A . 346 GLN O . . . . . . . . . c16510_2ke1 1 . 1 . 828 . 1 1 58 GLN OE1 O -18.584 -6.606 -0.042 . . . 1.0 . . . . . . . . . . . . A . 346 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 829 . 1 1 59 GLU C C -21.788 -0.038 -0.875 . . . 1.0 . . . . . . . . . . . . A . 347 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 830 . 1 1 59 GLU CA C -22.649 -0.882 -1.805 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 831 . 1 1 59 GLU CB C -23.979 -1.208 -1.110 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 832 . 1 1 59 GLU CD C -24.544 -3.463 -2.137 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 833 . 1 1 59 GLU CG C -24.961 -2.016 -1.952 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 834 . 1 1 59 GLU H H -22.351 -2.964 -1.987 . . . 1.0 . . . . . . . . . . . . A . 347 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 835 . 1 1 59 GLU HA H -22.848 -0.321 -2.707 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 836 . 1 1 59 GLU HB2 H -23.769 -1.771 -0.213 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 837 . 1 1 59 GLU HB3 H -24.458 -0.280 -0.832 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 838 . 1 1 59 GLU HG2 H -25.926 -1.998 -1.471 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 839 . 1 1 59 GLU HG3 H -25.040 -1.554 -2.926 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 840 . 1 1 59 GLU N N -21.938 -2.098 -2.176 . . . 1.0 . . . . . . . . . . . . A . 347 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 841 . 1 1 59 GLU O O -21.377 -0.502 0.190 . . . 1.0 . . . . . . . . . . . . A . 347 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 842 . 1 1 59 GLU OE1 O -24.287 -4.150 -1.124 . . . 1.0 . . . . . . . . . . . . A . 347 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 843 . 1 1 59 GLU OE2 O -24.451 -3.916 -3.297 . . . 1.0 . . . . . . . . . . . . A . 347 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 844 . 1 1 60 VAL C C -21.433 2.761 0.623 . . . 1.0 . . . . . . . . . . . . A . 348 VAL C . . . . . . . . . c16510_2ke1 1 . 1 . 845 . 1 1 60 VAL CA C -20.651 2.075 -0.501 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CA . . . . . . . . . c16510_2ke1 1 . 1 . 846 . 1 1 60 VAL CB C -19.970 3.132 -1.396 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CB . . . . . . . . . c16510_2ke1 1 . 1 . 847 . 1 1 60 VAL CG1 C -18.800 3.787 -0.674 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CG1 . . . . . . . . . c16510_2ke1 1 . 1 . 848 . 1 1 60 VAL CG2 C -19.507 2.513 -2.711 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 849 . 1 1 60 VAL H H -21.908 1.526 -2.110 . . . 1.0 . . . . . . . . . . . . A . 348 VAL H . . . . . . . . . c16510_2ke1 1 . 1 . 850 . 1 1 60 VAL HA H -19.879 1.466 -0.060 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HA . . . . . . . . . c16510_2ke1 1 . 1 . 851 . 1 1 60 VAL HB H -20.694 3.894 -1.618 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HB . . . . . . . . . c16510_2ke1 1 . 1 . 852 . 1 1 60 VAL HG11 H -18.086 3.030 -0.384 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG11 . . . . . . . . . c16510_2ke1 1 . 1 . 853 . 1 1 60 VAL HG12 H -19.161 4.297 0.207 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG12 . . . . . . . . . c16510_2ke1 1 . 1 . 854 . 1 1 60 VAL HG13 H -18.322 4.498 -1.332 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG13 . . . . . . . . . c16510_2ke1 1 . 1 . 855 . 1 1 60 VAL HG21 H -20.353 2.076 -3.219 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 856 . 1 1 60 VAL HG22 H -18.771 1.749 -2.511 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 857 . 1 1 60 VAL HG23 H -19.069 3.279 -3.335 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 858 . 1 1 60 VAL N N -21.520 1.196 -1.273 . . . 1.0 . . . . . . . . . . . . A . 348 VAL N . . . . . . . . . c16510_2ke1 1 . 1 . 859 . 1 1 60 VAL O O -21.414 3.985 0.764 . . . 1.0 . . . . . . . . . . . . A . 348 VAL O . . . . . . . . . c16510_2ke1 1 . 1 . 860 . 1 1 61 GLN C C -23.905 3.460 2.236 . . . 1.0 . . . . . . . . . . . . A . 349 GLN C . . . . . . . . . c16510_2ke1 1 . 1 . 861 . 1 1 61 GLN CA C -22.870 2.393 2.583 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CA . . . . . . . . . c16510_2ke1 1 . 1 . 862 . 1 1 61 GLN CB C -21.900 2.918 3.652 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CB . . . . . . . . . c16510_2ke1 1 . 1 . 863 . 1 1 61 GLN CD C -20.484 0.809 3.590 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CD . . . . . . . . . c16510_2ke1 1 . 1 . 864 . 1 1 61 GLN CG C -21.196 1.829 4.456 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CG . . . . . . . . . c16510_2ke1 1 . 1 . 865 . 1 1 61 GLN H H -22.191 0.994 1.147 . . . 1.0 . . . . . . . . . . . . A . 349 GLN H . . . . . . . . . c16510_2ke1 1 . 1 . 866 . 1 1 61 GLN HA H -23.391 1.535 2.982 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HA . . . . . . . . . c16510_2ke1 1 . 1 . 867 . 1 1 61 GLN HB2 H -21.145 3.520 3.171 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 868 . 1 1 61 GLN HB3 H -22.454 3.539 4.341 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 869 . 1 1 61 GLN HE21 H -22.096 -0.355 3.607 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 1 . 870 . 1 1 61 GLN HE22 H -20.745 -0.949 2.701 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 1 . 871 . 1 1 61 GLN HG2 H -20.468 2.294 5.103 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 872 . 1 1 61 GLN HG3 H -21.931 1.314 5.058 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 873 . 1 1 61 GLN N N -22.142 1.942 1.397 . . . 1.0 . . . . . . . . . . . . A . 349 GLN N . . . . . . . . . c16510_2ke1 1 . 1 . 874 . 1 1 61 GLN NE2 N -21.175 -0.275 3.267 . . . 1.0 . . . . . . . . . . . . A . 349 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 1 . 875 . 1 1 61 GLN O O -23.640 4.658 2.351 . . . 1.0 . . . . . . . . . . . . A . 349 GLN O . . . . . . . . . c16510_2ke1 1 . 1 . 876 . 1 1 61 GLN OE1 O -19.321 0.987 3.223 . . . 1.0 . . . . . . . . . . . . A . 349 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 877 . 1 1 62 PRO C C -26.701 4.718 2.659 . . . 1.0 . . . . . . . . . . . . A . 350 PRO C . . . . . . . . . c16510_2ke1 1 . 1 . 878 . 1 1 62 PRO CA C -26.182 3.949 1.448 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CA . . . . . . . . . c16510_2ke1 1 . 1 . 879 . 1 1 62 PRO CB C -27.264 3.031 0.873 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CB . . . . . . . . . c16510_2ke1 1 . 1 . 880 . 1 1 62 PRO CD C -25.502 1.621 1.699 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CD . . . . . . . . . c16510_2ke1 1 . 1 . 881 . 1 1 62 PRO CG C -26.984 1.685 1.445 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CG . . . . . . . . . c16510_2ke1 1 . 1 . 882 . 1 1 62 PRO HA H -25.862 4.646 0.691 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HA . . . . . . . . . c16510_2ke1 1 . 1 . 883 . 1 1 62 PRO HB2 H -28.238 3.389 1.170 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 884 . 1 1 62 PRO HB3 H -27.193 3.022 -0.206 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 885 . 1 1 62 PRO HD2 H -25.301 1.090 2.618 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 886 . 1 1 62 PRO HD3 H -24.994 1.149 0.873 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 887 . 1 1 62 PRO HG2 H -27.524 1.566 2.369 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 888 . 1 1 62 PRO HG3 H -27.275 0.922 0.739 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 889 . 1 1 62 PRO N N -25.104 3.032 1.818 . . . 1.0 . . . . . . . . . . . . A . 350 PRO N . . . . . . . . . c16510_2ke1 1 . 1 . 890 . 1 1 62 PRO O O -27.349 4.153 3.543 . . . 1.0 . . . . . . . . . . . . A . 350 PRO O . . . . . . . . . c16510_2ke1 1 . 1 . 891 . 1 1 63 ARG C C -28.023 7.619 3.586 . . . 1.0 . . . . . . . . . . . . A . 351 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 892 . 1 1 63 ARG CA C -26.749 6.826 3.850 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 893 . 1 1 63 ARG CB C -25.591 7.763 4.184 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 894 . 1 1 63 ARG CD C -25.343 7.158 6.621 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 895 . 1 1 63 ARG CG C -25.616 8.270 5.616 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 896 . 1 1 63 ARG CZ C -26.543 5.179 7.492 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 897 . 1 1 63 ARG H H -25.963 6.422 1.924 . . . 1.0 . . . . . . . . . . . . A . 351 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 898 . 1 1 63 ARG HA H -26.919 6.174 4.692 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 899 . 1 1 63 ARG HB2 H -24.661 7.238 4.025 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 900 . 1 1 63 ARG HB3 H -25.631 8.615 3.523 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 901 . 1 1 63 ARG HD2 H -24.606 6.488 6.203 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 902 . 1 1 63 ARG HD3 H -24.952 7.599 7.527 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 903 . 1 1 63 ARG HE H -27.421 6.824 6.765 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 904 . 1 1 63 ARG HG2 H -24.868 9.038 5.732 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 905 . 1 1 63 ARG HG3 H -26.594 8.678 5.814 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 906 . 1 1 63 ARG HH11 H -24.523 4.950 7.424 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 907 . 1 1 63 ARG HH12 H -25.407 3.615 8.096 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 908 . 1 1 63 ARG HH21 H -28.557 5.086 7.658 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 909 . 1 1 63 ARG HH22 H -27.697 3.683 8.232 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 910 . 1 1 63 ARG N N -26.411 6.007 2.698 . . . 1.0 . . . . . . . . . . . . A . 351 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 911 . 1 1 63 ARG NE N -26.548 6.393 6.944 . . . 1.0 . . . . . . . . . . . . A . 351 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 912 . 1 1 63 ARG NH1 N -25.402 4.529 7.689 . . . 1.0 . . . . . . . . . . . . A . 351 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 913 . 1 1 63 ARG NH2 N -27.689 4.604 7.821 . . . 1.0 . . . . . . . . . . . . A . 351 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 914 . 1 1 63 ARG O O -28.160 8.766 4.007 . . . 1.0 . . . . . . . . . . . . A . 351 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 915 . 1 1 64 ALA C C -31.102 7.541 3.879 . . . 1.0 . . . . . . . . . . . . A . 352 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 916 . 1 1 64 ALA CA C -30.246 7.614 2.618 . . . 1.0 . . . . . . . . . . . . A . 352 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 917 . 1 1 64 ALA CB C -30.939 6.924 1.454 . . . 1.0 . . . . . . . . . . . . A . 352 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 918 . 1 1 64 ALA H H -28.747 6.142 2.452 . . . 1.0 . . . . . . . . . . . . A . 352 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 919 . 1 1 64 ALA HA H -30.091 8.651 2.356 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 920 . 1 1 64 ALA HB1 H -31.149 5.898 1.718 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 921 . 1 1 64 ALA HB2 H -30.297 6.949 0.585 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 922 . 1 1 64 ALA HB3 H -31.864 7.435 1.232 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 923 . 1 1 64 ALA N N -28.947 7.011 2.856 . . . 1.0 . . . . . . . . . . . . A . 352 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 924 . 1 1 64 ALA O O -31.724 6.516 4.162 . . . 1.0 . . . . . . . . . . . . A . 352 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 925 . 1 1 65 GLU C C -33.232 9.294 5.674 . . . 1.0 . . . . . . . . . . . . A . 353 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 926 . 1 1 65 GLU CA C -31.858 8.678 5.891 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 927 . 1 1 65 GLU CB C -31.080 9.489 6.930 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 928 . 1 1 65 GLU CD C -29.644 7.520 7.603 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 929 . 1 1 65 GLU CG C -29.670 8.975 7.183 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 930 . 1 1 65 GLU H H -30.635 9.426 4.333 . . . 1.0 . . . . . . . . . . . . A . 353 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 931 . 1 1 65 GLU HA H -31.980 7.668 6.248 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 932 . 1 1 65 GLU HB2 H -31.013 10.513 6.592 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 933 . 1 1 65 GLU HB3 H -31.622 9.465 7.865 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 934 . 1 1 65 GLU HG2 H -29.095 9.079 6.275 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 935 . 1 1 65 GLU HG3 H -29.219 9.569 7.964 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 936 . 1 1 65 GLU N N -31.121 8.629 4.634 . . . 1.0 . . . . . . . . . . . . A . 353 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 937 . 1 1 65 GLU O O -34.044 9.379 6.597 . . . 1.0 . . . . . . . . . . . . A . 353 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 938 . 1 1 65 GLU OE1 O -29.980 7.225 8.763 . . . 1.0 . . . . . . . . . . . . A . 353 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 939 . 1 1 65 GLU OE2 O -29.278 6.665 6.772 . . . 1.0 . . . . . . . . . . . . A . 353 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 940 . 1 1 66 GLU C C -35.521 9.534 3.105 . . . 1.0 . . . . . . . . . . . . A . 354 GLU C . . . . . . . . . c16510_2ke1 1 . 1 . 941 . 1 1 66 GLU CA C -34.736 10.372 4.104 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CA . . . . . . . . . c16510_2ke1 1 . 1 . 942 . 1 1 66 GLU CB C -34.450 11.756 3.517 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CB . . . . . . . . . c16510_2ke1 1 . 1 . 943 . 1 1 66 GLU CD C -33.229 13.950 3.756 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CD . . . . . . . . . c16510_2ke1 1 . 1 . 944 . 1 1 66 GLU CG C -33.562 12.622 4.395 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CG . . . . . . . . . c16510_2ke1 1 . 1 . 945 . 1 1 66 GLU H H -32.843 9.524 3.732 . . . 1.0 . . . . . . . . . . . . A . 354 GLU H . . . . . . . . . c16510_2ke1 1 . 1 . 946 . 1 1 66 GLU HA H -35.316 10.481 5.007 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HA . . . . . . . . . c16510_2ke1 1 . 1 . 947 . 1 1 66 GLU HB2 H -33.962 11.635 2.560 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 948 . 1 1 66 GLU HB3 H -35.386 12.272 3.371 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 949 . 1 1 66 GLU HG2 H -34.073 12.807 5.329 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 950 . 1 1 66 GLU HG3 H -32.642 12.091 4.587 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 951 . 1 1 66 GLU N N -33.493 9.703 4.443 . . . 1.0 . . . . . . . . . . . . A . 354 GLU N . . . . . . . . . c16510_2ke1 1 . 1 . 952 . 1 1 66 GLU O O -36.485 8.857 3.519 . . . 1.0 . . . . . . . . . . . . A . 354 GLU O . . . . . . . . . c16510_2ke1 1 . 1 . 953 . 1 1 66 GLU OXT O -35.153 9.533 1.914 . . . 1.0 . . . . . . . . . . . . A . 354 GLU OXT . . . . . . . . . c16510_2ke1 1 . 1 . 954 . 1 1 66 GLU OE1 O -32.623 13.957 2.664 . . . 1.0 . . . . . . . . . . . . A . 354 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 955 . 1 1 66 GLU OE2 O -33.573 14.995 4.339 . . . 1.0 . . . . . . . . . . . . A . 354 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 1 . 956 . 2 2 1 ALA C C 2.127 -2.124 7.518 . . . 1.0 . . . . . . . . . . . . B . 1 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 957 . 2 2 1 ALA CA C 0.930 -1.201 7.691 . . . 1.0 . . . . . . . . . . . . B . 1 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 958 . 2 2 1 ALA CB C 1.247 0.195 7.174 . . . 1.0 . . . . . . . . . . . . B . 1 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 959 . 2 2 1 ALA H1 H 0.173 -2.061 9.432 . . . 1.0 . . . . . . . . . . . . B . 1 ALA H1 . . . . . . . . . c16510_2ke1 1 . 1 . 960 . 2 2 1 ALA H2 H -0.184 -0.416 9.269 . . . 1.0 . . . . . . . . . . . . B . 1 ALA H2 . . . . . . . . . c16510_2ke1 1 . 1 . 961 . 2 2 1 ALA H3 H 1.378 -0.905 9.704 . . . 1.0 . . . . . . . . . . . . B . 1 ALA H3 . . . . . . . . . c16510_2ke1 1 . 1 . 962 . 2 2 1 ALA HA H 0.100 -1.594 7.121 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 963 . 2 2 1 ALA HB1 H 0.393 0.845 7.331 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 964 . 2 2 1 ALA HB2 H 1.470 0.148 6.118 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 965 . 2 2 1 ALA HB3 H 2.100 0.591 7.703 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 966 . 2 2 1 ALA N N 0.542 -1.141 9.119 . . . 1.0 . . . . . . . . . . . . B . 1 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 967 . 2 2 1 ALA O O 2.930 -2.275 8.438 . . . 1.0 . . . . . . . . . . . . B . 1 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 968 . 2 2 2 ARG C C 4.588 -2.827 5.700 . . . 1.0 . . . . . . . . . . . . B . 2 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 969 . 2 2 2 ARG CA C 3.357 -3.647 6.074 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 970 . 2 2 2 ARG CB C 2.988 -4.619 4.947 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 971 . 2 2 2 ARG CD C 3.535 -6.715 3.660 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 972 . 2 2 2 ARG CG C 3.936 -5.803 4.809 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 973 . 2 2 2 ARG CZ C 1.406 -7.732 4.412 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 974 . 2 2 2 ARG H H 1.574 -2.587 5.648 . . . 1.0 . . . . . . . . . . . . B . 2 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 975 . 2 2 2 ARG HA H 3.567 -4.207 6.976 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 976 . 2 2 2 ARG HB2 H 1.996 -5.003 5.133 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 977 . 2 2 2 ARG HB3 H 2.983 -4.081 4.011 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 978 . 2 2 2 ARG HD2 H 3.866 -6.267 2.736 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 979 . 2 2 2 ARG HD3 H 4.029 -7.666 3.794 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 980 . 2 2 2 ARG HE H 1.604 -6.466 2.868 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 981 . 2 2 2 ARG HG2 H 4.935 -5.433 4.622 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 982 . 2 2 2 ARG HG3 H 3.926 -6.371 5.727 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 983 . 2 2 2 ARG HH11 H 3.025 -8.321 5.487 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 984 . 2 2 2 ARG HH12 H 1.501 -8.983 6.005 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 985 . 2 2 2 ARG HH21 H -0.381 -7.394 3.521 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 986 . 2 2 2 ARG HH22 H -0.430 -8.457 4.891 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 987 . 2 2 2 ARG N N 2.244 -2.746 6.348 . . . 1.0 . . . . . . . . . . . . B . 2 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 988 . 2 2 2 ARG NE N 2.090 -6.938 3.586 . . . 1.0 . . . . . . . . . . . . B . 2 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 989 . 2 2 2 ARG NH1 N 2.028 -8.398 5.374 . . . 1.0 . . . . . . . . . . . . B . 2 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 990 . 2 2 2 ARG NH2 N 0.096 -7.874 4.261 . . . 1.0 . . . . . . . . . . . . B . 2 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 991 . 2 2 2 ARG O O 5.046 -2.841 4.558 . . . 1.0 . . . . . . . . . . . . B . 2 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 992 . 2 2 3 THR C C 7.519 -1.902 6.295 . . . 1.0 . . . . . . . . . . . . B . 3 THR C . . . . . . . . . c16510_2ke1 1 . 1 . 993 . 2 2 3 THR CA C 6.186 -1.166 6.436 . . . 1.0 . . . . . . . . . . . . B . 3 THR CA . . . . . . . . . c16510_2ke1 1 . 1 . 994 . 2 2 3 THR CB C 6.272 -0.162 7.594 . . . 1.0 . . . . . . . . . . . . B . 3 THR CB . . . . . . . . . c16510_2ke1 1 . 1 . 995 . 2 2 3 THR CG2 C 6.972 1.115 7.165 . . . 1.0 . . . . . . . . . . . . B . 3 THR CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 996 . 2 2 3 THR H H 4.718 -2.164 7.570 . . . 1.0 . . . . . . . . . . . . B . 3 THR H . . . . . . . . . c16510_2ke1 1 . 1 . 997 . 2 2 3 THR HA H 5.981 -0.620 5.527 . . . 1.0 . . . . . . . . . . . . B . 3 THR HA . . . . . . . . . c16510_2ke1 1 . 1 . 998 . 2 2 3 THR HB H 6.830 -0.611 8.400 . . . 1.0 . . . . . . . . . . . . B . 3 THR HB . . . . . . . . . c16510_2ke1 1 . 1 . 999 . 2 2 3 THR HG1 H 4.898 0.034 9.001 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG1 . . . . . . . . . c16510_2ke1 1 . 1 . 1000 . 2 2 3 THR HG21 H 6.379 1.614 6.411 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 1001 . 2 2 3 THR HG22 H 7.943 0.875 6.759 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 1002 . 2 2 3 THR HG23 H 7.089 1.766 8.019 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 1003 . 2 2 3 THR N N 5.095 -2.090 6.666 . . . 1.0 . . . . . . . . . . . . B . 3 THR N . . . . . . . . . c16510_2ke1 1 . 1 . 1004 . 2 2 3 THR O O 7.776 -2.890 6.987 . . . 1.0 . . . . . . . . . . . . B . 3 THR O . . . . . . . . . c16510_2ke1 1 . 1 . 1005 . 2 2 3 THR OG1 O 4.949 0.157 8.043 . . . 1.0 . . . . . . . . . . . . B . 3 THR OG1 . . . . . . . . . c16510_2ke1 1 . 1 . 1006 . 2 2 4 LYS C C 10.707 -0.871 5.151 . . . 1.0 . . . . . . . . . . . . B . 4 LYS C . . . . . . . . . c16510_2ke1 1 . 1 . 1007 . 2 2 4 LYS CA C 9.666 -1.978 5.141 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 1008 . 2 2 4 LYS CB C 9.703 -2.676 3.775 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 1009 . 2 2 4 LYS CD C 8.579 -4.230 2.153 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CD . . . . . . . . . c16510_2ke1 1 . 1 . 1010 . 2 2 4 LYS CE C 9.917 -4.638 1.547 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CE . . . . . . . . . c16510_2ke1 1 . 1 . 1011 . 2 2 4 LYS CG C 8.709 -3.814 3.613 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CG . . . . . . . . . c16510_2ke1 1 . 1 . 1012 . 2 2 4 LYS H H 8.082 -0.601 4.898 . . . 1.0 . . . . . . . . . . . . B . 4 LYS H . . . . . . . . . c16510_2ke1 1 . 1 . 1013 . 2 2 4 LYS HA H 9.887 -2.691 5.920 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 1014 . 2 2 4 LYS HB2 H 9.499 -1.948 3.011 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 1015 . 2 2 4 LYS HB3 H 10.695 -3.075 3.617 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 1016 . 2 2 4 LYS HD2 H 7.894 -5.068 2.084 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 1017 . 2 2 4 LYS HD3 H 8.181 -3.398 1.591 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 1018 . 2 2 4 LYS HE2 H 9.777 -4.820 0.492 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HE2 . . . . . . . . . c16510_2ke1 1 . 1 . 1019 . 2 2 4 LYS HE3 H 10.616 -3.824 1.677 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HE3 . . . . . . . . . c16510_2ke1 1 . 1 . 1020 . 2 2 4 LYS HG2 H 9.047 -4.660 4.190 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 1021 . 2 2 4 LYS HG3 H 7.744 -3.488 3.973 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 1022 . 2 2 4 LYS HZ1 H 10.882 -5.638 3.111 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HZ1 . . . . . . . . . c16510_2ke1 1 . 1 . 1023 . 2 2 4 LYS HZ2 H 11.239 -6.252 1.568 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HZ2 . . . . . . . . . c16510_2ke1 1 . 1 . 1024 . 2 2 4 LYS HZ3 H 9.739 -6.585 2.287 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HZ3 . . . . . . . . . c16510_2ke1 1 . 1 . 1025 . 2 2 4 LYS N N 8.352 -1.406 5.396 . . . 1.0 . . . . . . . . . . . . B . 4 LYS N . . . . . . . . . c16510_2ke1 1 . 1 . 1026 . 2 2 4 LYS NZ N 10.483 -5.862 2.172 . . . 1.0 . . . . . . . . . . . . B . 4 LYS NZ . . . . . . . . . c16510_2ke1 1 . 1 . 1027 . 2 2 4 LYS O O 10.404 0.273 4.823 . . . 1.0 . . . . . . . . . . . . B . 4 LYS O . . . . . . . . . c16510_2ke1 1 . 1 . 1028 . 2 2 5 GLN C C 14.216 -0.871 4.768 . . . 1.0 . . . . . . . . . . . . B . 5 GLN C . . . . . . . . . c16510_2ke1 1 . 1 . 1029 . 2 2 5 GLN CA C 13.024 -0.256 5.483 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CA . . . . . . . . . c16510_2ke1 1 . 1 . 1030 . 2 2 5 GLN CB C 13.412 0.206 6.891 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CB . . . . . . . . . c16510_2ke1 1 . 1 . 1031 . 2 2 5 GLN CD C 12.903 1.771 8.821 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CD . . . . . . . . . c16510_2ke1 1 . 1 . 1032 . 2 2 5 GLN CG C 12.439 1.211 7.490 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CG . . . . . . . . . c16510_2ke1 1 . 1 . 1033 . 2 2 5 GLN H H 12.101 -2.127 5.842 . . . 1.0 . . . . . . . . . . . . B . 5 GLN H . . . . . . . . . c16510_2ke1 1 . 1 . 1034 . 2 2 5 GLN HA H 12.689 0.599 4.915 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HA . . . . . . . . . c16510_2ke1 1 . 1 . 1035 . 2 2 5 GLN HB2 H 13.452 -0.655 7.542 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 1036 . 2 2 5 GLN HB3 H 14.390 0.663 6.851 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 1037 . 2 2 5 GLN HE21 H 13.736 0.031 9.314 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 1 . 1038 . 2 2 5 GLN HE22 H 13.891 1.306 10.483 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 1 . 1039 . 2 2 5 GLN HG2 H 12.316 2.030 6.794 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 1040 . 2 2 5 GLN HG3 H 11.485 0.724 7.635 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 1041 . 2 2 5 GLN N N 11.927 -1.208 5.529 . . . 1.0 . . . . . . . . . . . . B . 5 GLN N . . . . . . . . . c16510_2ke1 1 . 1 . 1042 . 2 2 5 GLN NE2 N 13.574 0.954 9.618 . . . 1.0 . . . . . . . . . . . . B . 5 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 1 . 1043 . 2 2 5 GLN O O 15.190 -1.292 5.396 . . . 1.0 . . . . . . . . . . . . B . 5 GLN O . . . . . . . . . c16510_2ke1 1 . 1 . 1044 . 2 2 5 GLN OE1 O 12.640 2.931 9.140 . . . 1.0 . . . . . . . . . . . . B . 5 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 1 . 1045 . 2 2 6 THR C C 16.200 -0.453 2.236 . . . 1.0 . . . . . . . . . . . . B . 6 THR C . . . . . . . . . c16510_2ke1 1 . 1 . 1046 . 2 2 6 THR CA C 15.177 -1.513 2.635 . . . 1.0 . . . . . . . . . . . . B . 6 THR CA . . . . . . . . . c16510_2ke1 1 . 1 . 1047 . 2 2 6 THR CB C 14.590 -2.172 1.369 . . . 1.0 . . . . . . . . . . . . B . 6 THR CB . . . . . . . . . c16510_2ke1 1 . 1 . 1048 . 2 2 6 THR CG2 C 13.864 -3.467 1.709 . . . 1.0 . . . . . . . . . . . . B . 6 THR CG2 . . . . . . . . . c16510_2ke1 1 . 1 . 1049 . 2 2 6 THR H H 13.328 -0.563 3.009 . . . 1.0 . . . . . . . . . . . . B . 6 THR H . . . . . . . . . c16510_2ke1 1 . 1 . 1050 . 2 2 6 THR HA H 15.673 -2.276 3.221 . . . 1.0 . . . . . . . . . . . . B . 6 THR HA . . . . . . . . . c16510_2ke1 1 . 1 . 1051 . 2 2 6 THR HB H 15.401 -2.398 0.690 . . . 1.0 . . . . . . . . . . . . B . 6 THR HB . . . . . . . . . c16510_2ke1 1 . 1 . 1052 . 2 2 6 THR HG1 H 13.222 -1.725 0.009 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG1 . . . . . . . . . c16510_2ke1 1 . 1 . 1053 . 2 2 6 THR HG21 H 13.034 -3.254 2.365 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG21 . . . . . . . . . c16510_2ke1 1 . 1 . 1054 . 2 2 6 THR HG22 H 14.547 -4.142 2.203 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG22 . . . . . . . . . c16510_2ke1 1 . 1 . 1055 . 2 2 6 THR HG23 H 13.500 -3.925 0.801 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG23 . . . . . . . . . c16510_2ke1 1 . 1 . 1056 . 2 2 6 THR N N 14.125 -0.932 3.451 . . . 1.0 . . . . . . . . . . . . B . 6 THR N . . . . . . . . . c16510_2ke1 1 . 1 . 1057 . 2 2 6 THR O O 16.151 0.685 2.713 . . . 1.0 . . . . . . . . . . . . B . 6 THR O . . . . . . . . . c16510_2ke1 1 . 1 . 1058 . 2 2 6 THR OG1 O 13.683 -1.266 0.723 . . . 1.0 . . . . . . . . . . . . B . 6 THR OG1 . . . . . . . . . c16510_2ke1 1 . 1 . 1059 . 2 2 7 ALA C C 17.512 0.908 -0.286 . . . 1.0 . . . . . . . . . . . . B . 7 ALA C . . . . . . . . . c16510_2ke1 1 . 1 . 1060 . 2 2 7 ALA CA C 18.109 0.113 0.866 . . . 1.0 . . . . . . . . . . . . B . 7 ALA CA . . . . . . . . . c16510_2ke1 1 . 1 . 1061 . 2 2 7 ALA CB C 19.363 -0.615 0.409 . . . 1.0 . . . . . . . . . . . . B . 7 ALA CB . . . . . . . . . c16510_2ke1 1 . 1 . 1062 . 2 2 7 ALA H H 17.185 -1.774 1.109 . . . 1.0 . . . . . . . . . . . . B . 7 ALA H . . . . . . . . . c16510_2ke1 1 . 1 . 1063 . 2 2 7 ALA HA H 18.380 0.791 1.661 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HA . . . . . . . . . c16510_2ke1 1 . 1 . 1064 . 2 2 7 ALA HB1 H 20.095 0.106 0.075 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 1 . 1065 . 2 2 7 ALA HB2 H 19.116 -1.279 -0.405 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 1066 . 2 2 7 ALA HB3 H 19.768 -1.185 1.231 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 1067 . 2 2 7 ALA N N 17.138 -0.831 1.387 . . . 1.0 . . . . . . . . . . . . B . 7 ALA N . . . . . . . . . c16510_2ke1 1 . 1 . 1068 . 2 2 7 ALA O O 16.824 0.350 -1.143 . . . 1.0 . . . . . . . . . . . . B . 7 ALA O . . . . . . . . . c16510_2ke1 1 . 1 . 1069 . 2 2 8 ARG C C 18.123 2.743 -2.626 . . . 1.0 . . . . . . . . . . . . B . 8 ARG C . . . . . . . . . c16510_2ke1 1 . 1 . 1070 . 2 2 8 ARG CA C 17.319 3.071 -1.381 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CA . . . . . . . . . c16510_2ke1 1 . 1 . 1071 . 2 2 8 ARG CB C 17.511 4.547 -1.024 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CB . . . . . . . . . c16510_2ke1 1 . 1 . 1072 . 2 2 8 ARG CD C 15.266 5.287 -0.132 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CD . . . . . . . . . c16510_2ke1 1 . 1 . 1073 . 2 2 8 ARG CG C 16.725 5.009 0.193 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CG . . . . . . . . . c16510_2ke1 1 . 1 . 1074 . 2 2 8 ARG CZ C 14.603 7.528 -0.936 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CZ . . . . . . . . . c16510_2ke1 1 . 1 . 1075 . 2 2 8 ARG H H 18.250 2.606 0.462 . . . 1.0 . . . . . . . . . . . . B . 8 ARG H . . . . . . . . . c16510_2ke1 1 . 1 . 1076 . 2 2 8 ARG HA H 16.273 2.878 -1.568 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HA . . . . . . . . . c16510_2ke1 1 . 1 . 1077 . 2 2 8 ARG HB2 H 18.557 4.722 -0.833 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 1078 . 2 2 8 ARG HB3 H 17.207 5.150 -1.867 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 1079 . 2 2 8 ARG HD2 H 14.813 4.373 -0.484 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 1080 . 2 2 8 ARG HD3 H 14.767 5.613 0.768 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 1081 . 2 2 8 ARG HE H 15.401 6.087 -2.074 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HE . . . . . . . . . c16510_2ke1 1 . 1 . 1082 . 2 2 8 ARG HG2 H 16.770 4.238 0.948 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 1083 . 2 2 8 ARG HG3 H 17.172 5.905 0.570 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 1084 . 2 2 8 ARG HH11 H 14.121 7.169 1.011 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 1 . 1085 . 2 2 8 ARG HH12 H 13.733 8.756 0.422 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 1 . 1086 . 2 2 8 ARG HH21 H 14.881 8.174 -2.843 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 1 . 1087 . 2 2 8 ARG HH22 H 14.172 9.338 -1.758 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 1 . 1088 . 2 2 8 ARG N N 17.756 2.213 -0.287 . . . 1.0 . . . . . . . . . . . . B . 8 ARG N . . . . . . . . . c16510_2ke1 1 . 1 . 1089 . 2 2 8 ARG NE N 15.110 6.316 -1.161 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NE . . . . . . . . . c16510_2ke1 1 . 1 . 1090 . 2 2 8 ARG NH1 N 14.115 7.844 0.261 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 1 . 1091 . 2 2 8 ARG NH2 N 14.545 8.415 -1.925 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 1 . 1092 . 2 2 8 ARG O O 19.313 2.435 -2.541 . . . 1.0 . . . . . . . . . . . . B . 8 ARG O . . . . . . . . . c16510_2ke1 1 . 1 . 1093 . 2 2 9 LYS C C 18.449 3.775 -5.768 . . . 1.0 . . . . . . . . . . . . B . 9 LYS C . . . . . . . . . c16510_2ke1 1 . 1 . 1094 . 2 2 9 LYS CA C 18.108 2.488 -5.033 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CA . . . . . . . . . c16510_2ke1 1 . 1 . 1095 . 2 2 9 LYS CB C 17.176 1.631 -5.892 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CB . . . . . . . . . c16510_2ke1 1 . 1 . 1096 . 2 2 9 LYS CD C 17.661 -0.475 -4.586 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CD . . . . . . . . . c16510_2ke1 1 . 1 . 1097 . 2 2 9 LYS CE C 17.044 -1.632 -3.815 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CE . . . . . . . . . c16510_2ke1 1 . 1 . 1098 . 2 2 9 LYS CG C 16.585 0.440 -5.153 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CG . . . . . . . . . c16510_2ke1 1 . 1 . 1099 . 2 2 9 LYS H H 16.528 3.093 -3.771 . . . 1.0 . . . . . . . . . . . . B . 9 LYS H . . . . . . . . . c16510_2ke1 1 . 1 . 1100 . 2 2 9 LYS HA H 19.016 1.939 -4.831 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HA . . . . . . . . . c16510_2ke1 1 . 1 . 1101 . 2 2 9 LYS HB2 H 16.361 2.249 -6.243 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 1102 . 2 2 9 LYS HB3 H 17.729 1.262 -6.744 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 1103 . 2 2 9 LYS HD2 H 18.251 -0.870 -5.400 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HD2 . . . . . . . . . c16510_2ke1 1 . 1 . 1104 . 2 2 9 LYS HD3 H 18.292 0.094 -3.922 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HD3 . . . . . . . . . c16510_2ke1 1 . 1 . 1105 . 2 2 9 LYS HE2 H 17.837 -2.206 -3.355 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HE2 . . . . . . . . . c16510_2ke1 1 . 1 . 1106 . 2 2 9 LYS HE3 H 16.399 -1.232 -3.046 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HE3 . . . . . . . . . c16510_2ke1 1 . 1 . 1107 . 2 2 9 LYS HG2 H 15.976 0.803 -4.339 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HG2 . . . . . . . . . c16510_2ke1 1 . 1 . 1108 . 2 2 9 LYS HG3 H 15.971 -0.125 -5.840 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HG3 . . . . . . . . . c16510_2ke1 1 . 1 . 1109 . 2 2 9 LYS HZ1 H 15.673 -1.971 -5.360 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ1 . . . . . . . . . c16510_2ke1 1 . 1 . 1110 . 2 2 9 LYS HZ2 H 15.606 -3.117 -4.127 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ2 . . . . . . . . . c16510_2ke1 1 . 1 . 1111 . 2 2 9 LYS HZ3 H 16.883 -3.155 -5.241 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ3 . . . . . . . . . c16510_2ke1 1 . 1 . 1112 . 2 2 9 LYS N N 17.472 2.805 -3.768 . . . 1.0 . . . . . . . . . . . . B . 9 LYS N . . . . . . . . . c16510_2ke1 1 . 1 . 1113 . 2 2 9 LYS NZ N 16.250 -2.528 -4.697 . . . 1.0 . . . . . . . . . . . . B . 9 LYS NZ . . . . . . . . . c16510_2ke1 1 . 1 . 1114 . 2 2 9 LYS O O 19.509 3.886 -6.383 . . . 1.0 . . . . . . . . . . . . B . 9 LYS O . . . . . . . . . c16510_2ke1 1 . 1 . 1115 . 2 2 10 SER C C 17.942 5.929 -7.804 . . . 1.0 . . . . . . . . . . . . B . 10 SER C . . . . . . . . . c16510_2ke1 1 . 1 . 1116 . 2 2 10 SER CA C 17.695 6.050 -6.300 . . . 1.0 . . . . . . . . . . . . B . 10 SER CA . . . . . . . . . c16510_2ke1 1 . 1 . 1117 . 2 2 10 SER CB C 18.817 6.832 -5.611 . . . 1.0 . . . . . . . . . . . . B . 10 SER CB . . . . . . . . . c16510_2ke1 1 . 1 . 1118 . 2 2 10 SER H H 16.705 4.558 -5.177 . . . 1.0 . . . . . . . . . . . . B . 10 SER H . . . . . . . . . c16510_2ke1 1 . 1 . 1119 . 2 2 10 SER HA H 16.769 6.586 -6.156 . . . 1.0 . . . . . . . . . . . . B . 10 SER HA . . . . . . . . . c16510_2ke1 1 . 1 . 1120 . 2 2 10 SER HB2 H 19.730 6.256 -5.640 . . . 1.0 . . . . . . . . . . . . B . 10 SER HB2 . . . . . . . . . c16510_2ke1 1 . 1 . 1121 . 2 2 10 SER HB3 H 18.965 7.772 -6.122 . . . 1.0 . . . . . . . . . . . . B . 10 SER HB3 . . . . . . . . . c16510_2ke1 1 . 1 . 1122 . 2 2 10 SER HG H 19.205 6.807 -3.680 . . . 1.0 . . . . . . . . . . . . B . 10 SER HG . . . . . . . . . c16510_2ke1 1 . 1 . 1123 . 2 2 10 SER N N 17.534 4.740 -5.681 . . . 1.0 . . . . . . . . . . . . B . 10 SER N . . . . . . . . . c16510_2ke1 1 . 1 . 1124 . 2 2 10 SER O O 19.112 5.996 -8.236 . . . 1.0 . . . . . . . . . . . . B . 10 SER O . . . . . . . . . c16510_2ke1 1 . 1 . 1125 . 2 2 10 SER OXT O 16.955 5.755 -8.547 . . . 1.0 . . . . . . . . . . . . B . 10 SER OXT . . . . . . . . . c16510_2ke1 1 . 1 . 1126 . 2 2 10 SER OG O 18.482 7.095 -4.254 . . . 1.0 . . . . . . . . . . . . B . 10 SER OG . . . . . . . . . c16510_2ke1 1 . 1 . 1127 . 3 3 1 ZN ZN Zn 8.046 5.900 -4.763 . . . 1.0 . . . . . . . . . . . . A . 355 ZN ZN . . . . . . . . . c16510_2ke1 1 . 1 . 1128 . 4 3 1 ZN ZN Zn -3.384 -3.376 -2.321 . . . 1.0 . . . . . . . . . . . . A . 356 ZN ZN . . . . . . . . . c16510_2ke1 1 . 2 . 1129 . 1 1 1 GLY C C 2.017 -24.465 3.197 . . . 1.0 . . . . . . . . . . . . A . 289 GLY C . . . . . . . . . c16510_2ke1 1 . 2 . 1130 . 1 1 1 GLY CA C 1.094 -25.643 2.978 . . . 1.0 . . . . . . . . . . . . A . 289 GLY CA . . . . . . . . . c16510_2ke1 1 . 2 . 1131 . 1 1 1 GLY H1 H -0.746 -26.373 3.643 . . . 1.0 . . . . . . . . . . . . A . 289 GLY H1 . . . . . . . . . c16510_2ke1 1 . 2 . 1132 . 1 1 1 GLY H2 H -0.669 -24.681 3.531 . . . 1.0 . . . . . . . . . . . . A . 289 GLY H2 . . . . . . . . . c16510_2ke1 1 . 2 . 1133 . 1 1 1 GLY H3 H 0.107 -25.479 4.807 . . . 1.0 . . . . . . . . . . . . A . 289 GLY H3 . . . . . . . . . c16510_2ke1 1 . 2 . 1134 . 1 1 1 GLY HA2 H 1.617 -26.550 3.241 . . . 1.0 . . . . . . . . . . . . A . 289 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 2 . 1135 . 1 1 1 GLY HA3 H 0.821 -25.685 1.934 . . . 1.0 . . . . . . . . . . . . A . 289 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 2 . 1136 . 1 1 1 GLY N N -0.137 -25.537 3.795 . . . 1.0 . . . . . . . . . . . . A . 289 GLY N . . . . . . . . . c16510_2ke1 1 . 2 . 1137 . 1 1 1 GLY O O 2.641 -24.341 4.252 . . . 1.0 . . . . . . . . . . . . A . 289 GLY O . . . . . . . . . c16510_2ke1 1 . 2 . 1138 . 1 1 2 ALA C C 2.139 -21.157 2.048 . . . 1.0 . . . . . . . . . . . . A . 290 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 1139 . 1 1 2 ALA CA C 2.951 -22.415 2.301 . . . 1.0 . . . . . . . . . . . . A . 290 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 1140 . 1 1 2 ALA CB C 4.101 -22.517 1.311 . . . 1.0 . . . . . . . . . . . . A . 290 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 1141 . 1 1 2 ALA H H 1.565 -23.728 1.395 . . . 1.0 . . . . . . . . . . . . A . 290 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 1142 . 1 1 2 ALA HA H 3.363 -22.375 3.299 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 1143 . 1 1 2 ALA HB1 H 3.707 -22.545 0.307 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 1144 . 1 1 2 ALA HB2 H 4.664 -23.419 1.503 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1145 . 1 1 2 ALA HB3 H 4.748 -21.659 1.421 . . . 1.0 . . . . . . . . . . . . A . 290 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1146 . 1 1 2 ALA N N 2.100 -23.587 2.208 . . . 1.0 . . . . . . . . . . . . A . 290 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 1147 . 1 1 2 ALA O O 1.640 -20.946 0.940 . . . 1.0 . . . . . . . . . . . . A . 290 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 1148 . 1 1 3 MET C C 1.799 -17.997 3.804 . . . 1.0 . . . . . . . . . . . . A . 291 MET C . . . . . . . . . c16510_2ke1 1 . 2 . 1149 . 1 1 3 MET CA C 1.227 -19.099 2.927 . . . 1.0 . . . . . . . . . . . . A . 291 MET CA . . . . . . . . . c16510_2ke1 1 . 2 . 1150 . 1 1 3 MET CB C -0.252 -19.337 3.244 . . . 1.0 . . . . . . . . . . . . A . 291 MET CB . . . . . . . . . c16510_2ke1 1 . 2 . 1151 . 1 1 3 MET CE C -2.619 -18.958 1.037 . . . 1.0 . . . . . . . . . . . . A . 291 MET CE . . . . . . . . . c16510_2ke1 1 . 2 . 1152 . 1 1 3 MET CG C -1.100 -18.076 3.159 . . . 1.0 . . . . . . . . . . . . A . 291 MET CG . . . . . . . . . c16510_2ke1 1 . 2 . 1153 . 1 1 3 MET H H 2.444 -20.522 3.924 . . . 1.0 . . . . . . . . . . . . A . 291 MET H . . . . . . . . . c16510_2ke1 1 . 2 . 1154 . 1 1 3 MET HA H 1.310 -18.785 1.896 . . . 1.0 . . . . . . . . . . . . A . 291 MET HA . . . . . . . . . c16510_2ke1 1 . 2 . 1155 . 1 1 3 MET HB2 H -0.647 -20.059 2.545 . . . 1.0 . . . . . . . . . . . . A . 291 MET HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1156 . 1 1 3 MET HB3 H -0.335 -19.732 4.245 . . . 1.0 . . . . . . . . . . . . A . 291 MET HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1157 . 1 1 3 MET HE1 H -1.983 -19.832 1.002 . . . 1.0 . . . . . . . . . . . . A . 291 MET HE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1158 . 1 1 3 MET HE2 H -2.173 -18.163 0.460 . . . 1.0 . . . . . . . . . . . . A . 291 MET HE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1159 . 1 1 3 MET HE3 H -3.588 -19.200 0.624 . . . 1.0 . . . . . . . . . . . . A . 291 MET HE3 . . . . . . . . . c16510_2ke1 1 . 2 . 1160 . 1 1 3 MET HG2 H -1.074 -17.574 4.114 . . . 1.0 . . . . . . . . . . . . A . 291 MET HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1161 . 1 1 3 MET HG3 H -0.683 -17.427 2.403 . . . 1.0 . . . . . . . . . . . . A . 291 MET HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1162 . 1 1 3 MET N N 1.998 -20.323 3.065 . . . 1.0 . . . . . . . . . . . . A . 291 MET N . . . . . . . . . c16510_2ke1 1 . 2 . 1163 . 1 1 3 MET O O 1.329 -17.744 4.916 . . . 1.0 . . . . . . . . . . . . A . 291 MET O . . . . . . . . . c16510_2ke1 1 . 2 . 1164 . 1 1 3 MET SD S -2.813 -18.424 2.739 . . . 1.0 . . . . . . . . . . . . A . 291 MET SD . . . . . . . . . c16510_2ke1 1 . 2 . 1165 . 1 1 4 ALA C C 3.394 -15.050 2.937 . . . 1.0 . . . . . . . . . . . . A . 292 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 1166 . 1 1 4 ALA CA C 3.415 -16.201 3.929 . . . 1.0 . . . . . . . . . . . . A . 292 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 1167 . 1 1 4 ALA CB C 4.836 -16.487 4.392 . . . 1.0 . . . . . . . . . . . . A . 292 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 1168 . 1 1 4 ALA H H 3.252 -17.713 2.471 . . . 1.0 . . . . . . . . . . . . A . 292 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 1169 . 1 1 4 ALA HA H 2.813 -15.946 4.790 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 1170 . 1 1 4 ALA HB1 H 5.226 -15.624 4.910 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 1171 . 1 1 4 ALA HB2 H 5.456 -16.702 3.535 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1172 . 1 1 4 ALA HB3 H 4.834 -17.338 5.059 . . . 1.0 . . . . . . . . . . . . A . 292 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1173 . 1 1 4 ALA N N 2.842 -17.370 3.301 . . . 1.0 . . . . . . . . . . . . A . 292 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 1174 . 1 1 4 ALA O O 4.093 -15.091 1.921 . . . 1.0 . . . . . . . . . . . . A . 292 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 1175 . 1 1 5 GLN C C 3.773 -12.218 2.111 . . . 1.0 . . . . . . . . . . . . A . 293 GLN C . . . . . . . . . c16510_2ke1 1 . 2 . 1176 . 1 1 5 GLN CA C 2.431 -12.906 2.317 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CA . . . . . . . . . c16510_2ke1 1 . 2 . 1177 . 1 1 5 GLN CB C 1.402 -11.905 2.846 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CB . . . . . . . . . c16510_2ke1 1 . 2 . 1178 . 1 1 5 GLN CD C -1.044 -11.391 3.170 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CD . . . . . . . . . c16510_2ke1 1 . 2 . 1179 . 1 1 5 GLN CG C -0.009 -12.466 2.912 . . . 1.0 . . . . . . . . . . . . A . 293 GLN CG . . . . . . . . . c16510_2ke1 1 . 2 . 1180 . 1 1 5 GLN H H 2.065 -14.060 4.062 . . . 1.0 . . . . . . . . . . . . A . 293 GLN H . . . . . . . . . c16510_2ke1 1 . 2 . 1181 . 1 1 5 GLN HA H 2.090 -13.286 1.365 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HA . . . . . . . . . c16510_2ke1 1 . 2 . 1182 . 1 1 5 GLN HB2 H 1.692 -11.602 3.842 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1183 . 1 1 5 GLN HB3 H 1.394 -11.039 2.202 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1184 . 1 1 5 GLN HE21 H -1.287 -11.132 1.213 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 2 . 1185 . 1 1 5 GLN HE22 H -2.237 -10.110 2.237 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 2 . 1186 . 1 1 5 GLN HG2 H -0.236 -12.944 1.970 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1187 . 1 1 5 GLN HG3 H -0.058 -13.193 3.708 . . . 1.0 . . . . . . . . . . . . A . 293 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1188 . 1 1 5 GLN N N 2.575 -14.041 3.217 . . . 1.0 . . . . . . . . . . . . A . 293 GLN N . . . . . . . . . c16510_2ke1 1 . 2 . 1189 . 1 1 5 GLN NE2 N -1.583 -10.825 2.103 . . . 1.0 . . . . . . . . . . . . A . 293 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1190 . 1 1 5 GLN O O 4.664 -12.304 2.955 . . . 1.0 . . . . . . . . . . . . A . 293 GLN O . . . . . . . . . c16510_2ke1 1 . 2 . 1191 . 1 1 5 GLN OE1 O -1.369 -11.083 4.317 . . . 1.0 . . . . . . . . . . . . A . 293 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1192 . 1 1 6 LYS C C 5.040 -9.470 0.373 . . . 1.0 . . . . . . . . . . . . A . 294 LYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1193 . 1 1 6 LYS CA C 5.190 -10.957 0.613 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1194 . 1 1 6 LYS CB C 5.718 -11.643 -0.649 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1195 . 1 1 6 LYS CD C 7.402 -13.176 0.408 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CD . . . . . . . . . c16510_2ke1 1 . 2 . 1196 . 1 1 6 LYS CE C 7.774 -14.620 0.711 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CE . . . . . . . . . c16510_2ke1 1 . 2 . 1197 . 1 1 6 LYS CG C 6.137 -13.087 -0.428 . . . 1.0 . . . . . . . . . . . . A . 294 LYS CG . . . . . . . . . c16510_2ke1 1 . 2 . 1198 . 1 1 6 LYS H H 3.133 -11.330 0.437 . . . 1.0 . . . . . . . . . . . . A . 294 LYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1199 . 1 1 6 LYS HA H 5.886 -11.116 1.423 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1200 . 1 1 6 LYS HB2 H 4.945 -11.629 -1.401 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1201 . 1 1 6 LYS HB3 H 6.573 -11.094 -1.013 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1202 . 1 1 6 LYS HD2 H 8.213 -12.711 -0.133 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1203 . 1 1 6 LYS HD3 H 7.240 -12.652 1.340 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1204 . 1 1 6 LYS HE2 H 7.705 -15.194 -0.202 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1205 . 1 1 6 LYS HE3 H 8.790 -14.646 1.075 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HE3 . . . . . . . . . c16510_2ke1 1 . 2 . 1206 . 1 1 6 LYS HG2 H 5.342 -13.606 0.085 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1207 . 1 1 6 LYS HG3 H 6.313 -13.549 -1.387 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1208 . 1 1 6 LYS HZ1 H 7.001 -14.745 2.650 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HZ1 . . . . . . . . . c16510_2ke1 1 . 2 . 1209 . 1 1 6 LYS HZ2 H 7.110 -16.238 1.853 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HZ2 . . . . . . . . . c16510_2ke1 1 . 2 . 1210 . 1 1 6 LYS HZ3 H 5.883 -15.145 1.439 . . . 1.0 . . . . . . . . . . . . A . 294 LYS HZ3 . . . . . . . . . c16510_2ke1 1 . 2 . 1211 . 1 1 6 LYS N N 3.913 -11.525 0.996 . . . 1.0 . . . . . . . . . . . . A . 294 LYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1212 . 1 1 6 LYS NZ N 6.878 -15.228 1.731 . . . 1.0 . . . . . . . . . . . . A . 294 LYS NZ . . . . . . . . . c16510_2ke1 1 . 2 . 1213 . 1 1 6 LYS O O 3.958 -8.997 0.035 . . . 1.0 . . . . . . . . . . . . A . 294 LYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1214 . 1 1 7 ASN C C 7.269 -6.956 -0.611 . . . 1.0 . . . . . . . . . . . . A . 295 ASN C . . . . . . . . . c16510_2ke1 1 . 2 . 1215 . 1 1 7 ASN CA C 6.128 -7.314 0.326 . . . 1.0 . . . . . . . . . . . . A . 295 ASN CA . . . . . . . . . c16510_2ke1 1 . 2 . 1216 . 1 1 7 ASN CB C 6.264 -6.558 1.648 . . . 1.0 . . . . . . . . . . . . A . 295 ASN CB . . . . . . . . . c16510_2ke1 1 . 2 . 1217 . 1 1 7 ASN CG C 7.225 -7.213 2.631 . . . 1.0 . . . . . . . . . . . . A . 295 ASN CG . . . . . . . . . c16510_2ke1 1 . 2 . 1218 . 1 1 7 ASN H H 6.948 -9.157 0.867 . . . 1.0 . . . . . . . . . . . . A . 295 ASN H . . . . . . . . . c16510_2ke1 1 . 2 . 1219 . 1 1 7 ASN HA H 5.193 -7.044 -0.138 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HA . . . . . . . . . c16510_2ke1 1 . 2 . 1220 . 1 1 7 ASN HB2 H 6.626 -5.568 1.441 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1221 . 1 1 7 ASN HB3 H 5.294 -6.485 2.109 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1222 . 1 1 7 ASN HD21 H 6.234 -6.435 4.165 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HD21 . . . . . . . . . c16510_2ke1 1 . 2 . 1223 . 1 1 7 ASN HD22 H 7.614 -7.396 4.572 . . . 1.0 . . . . . . . . . . . . A . 295 ASN HD22 . . . . . . . . . c16510_2ke1 1 . 2 . 1224 . 1 1 7 ASN N N 6.118 -8.738 0.561 . . . 1.0 . . . . . . . . . . . . A . 295 ASN N . . . . . . . . . c16510_2ke1 1 . 2 . 1225 . 1 1 7 ASN ND2 N 6.997 -6.996 3.916 . . . 1.0 . . . . . . . . . . . . A . 295 ASN ND2 . . . . . . . . . c16510_2ke1 1 . 2 . 1226 . 1 1 7 ASN O O 8.381 -7.463 -0.468 . . . 1.0 . . . . . . . . . . . . A . 295 ASN O . . . . . . . . . c16510_2ke1 1 . 2 . 1227 . 1 1 7 ASN OD1 O 8.177 -7.892 2.241 . . . 1.0 . . . . . . . . . . . . A . 295 ASN OD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1228 . 1 1 8 GLU C C 9.080 -4.861 -1.849 . . . 1.0 . . . . . . . . . . . . A . 296 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 1229 . 1 1 8 GLU CA C 8.001 -5.680 -2.535 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1230 . 1 1 8 GLU CB C 7.391 -4.852 -3.665 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1231 . 1 1 8 GLU CD C 6.148 -4.920 -5.851 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 1232 . 1 1 8 GLU CG C 6.399 -5.610 -4.527 . . . 1.0 . . . . . . . . . . . . A . 296 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1233 . 1 1 8 GLU H H 6.068 -5.753 -1.651 . . . 1.0 . . . . . . . . . . . . A . 296 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 1234 . 1 1 8 GLU HA H 8.452 -6.568 -2.954 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1235 . 1 1 8 GLU HB2 H 6.881 -4.002 -3.236 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1236 . 1 1 8 GLU HB3 H 8.189 -4.496 -4.302 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1237 . 1 1 8 GLU HG2 H 6.788 -6.599 -4.721 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1238 . 1 1 8 GLU HG3 H 5.462 -5.690 -3.993 . . . 1.0 . . . . . . . . . . . . A . 296 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1239 . 1 1 8 GLU N N 6.987 -6.101 -1.576 . . . 1.0 . . . . . . . . . . . . A . 296 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 1240 . 1 1 8 GLU O O 8.823 -4.179 -0.857 . . . 1.0 . . . . . . . . . . . . A . 296 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 1241 . 1 1 8 GLU OE1 O 5.384 -3.933 -5.870 . . . 1.0 . . . . . . . . . . . . A . 296 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1242 . 1 1 8 GLU OE2 O 6.699 -5.357 -6.884 . . . 1.0 . . . . . . . . . . . . A . 296 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1243 . 1 1 9 ASP C C 11.450 -2.867 -2.744 . . . 1.0 . . . . . . . . . . . . A . 297 ASP C . . . . . . . . . c16510_2ke1 1 . 2 . 1244 . 1 1 9 ASP CA C 11.388 -4.115 -1.889 . . . 1.0 . . . . . . . . . . . . A . 297 ASP CA . . . . . . . . . c16510_2ke1 1 . 2 . 1245 . 1 1 9 ASP CB C 12.738 -4.832 -1.966 . . . 1.0 . . . . . . . . . . . . A . 297 ASP CB . . . . . . . . . c16510_2ke1 1 . 2 . 1246 . 1 1 9 ASP CG C 12.751 -6.176 -1.273 . . . 1.0 . . . . . . . . . . . . A . 297 ASP CG . . . . . . . . . c16510_2ke1 1 . 2 . 1247 . 1 1 9 ASP H H 10.463 -5.600 -3.092 . . . 1.0 . . . . . . . . . . . . A . 297 ASP H . . . . . . . . . c16510_2ke1 1 . 2 . 1248 . 1 1 9 ASP HA H 11.184 -3.837 -0.866 . . . 1.0 . . . . . . . . . . . . A . 297 ASP HA . . . . . . . . . c16510_2ke1 1 . 2 . 1249 . 1 1 9 ASP HB2 H 12.990 -4.981 -3.003 . . . 1.0 . . . . . . . . . . . . A . 297 ASP HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1250 . 1 1 9 ASP HB3 H 13.492 -4.207 -1.509 . . . 1.0 . . . . . . . . . . . . A . 297 ASP HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1251 . 1 1 9 ASP N N 10.297 -4.953 -2.363 . . . 1.0 . . . . . . . . . . . . A . 297 ASP N . . . . . . . . . c16510_2ke1 1 . 2 . 1252 . 1 1 9 ASP O O 12.310 -2.006 -2.549 . . . 1.0 . . . . . . . . . . . . A . 297 ASP O . . . . . . . . . c16510_2ke1 1 . 2 . 1253 . 1 1 9 ASP OD1 O 12.746 -6.208 -0.026 . . . 1.0 . . . . . . . . . . . . A . 297 ASP OD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1254 . 1 1 9 ASP OD2 O 12.772 -7.208 -1.974 . . . 1.0 . . . . . . . . . . . . A . 297 ASP OD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1255 . 1 1 10 GLU C C 9.100 -1.024 -4.545 . . . 1.0 . . . . . . . . . . . . A . 298 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 1256 . 1 1 10 GLU CA C 10.472 -1.677 -4.619 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1257 . 1 1 10 GLU CB C 10.703 -2.154 -6.053 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1258 . 1 1 10 GLU CD C 12.934 -3.350 -5.893 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 1259 . 1 1 10 GLU CG C 11.455 -3.472 -6.190 . . . 1.0 . . . . . . . . . . . . A . 298 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1260 . 1 1 10 GLU H H 9.796 -3.435 -3.718 . . . 1.0 . . . . . . . . . . . . A . 298 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 1261 . 1 1 10 GLU HA H 11.226 -0.962 -4.349 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1262 . 1 1 10 GLU HB2 H 9.747 -2.262 -6.524 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1263 . 1 1 10 GLU HB3 H 11.262 -1.394 -6.580 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1264 . 1 1 10 GLU HG2 H 11.026 -4.186 -5.503 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1265 . 1 1 10 GLU HG3 H 11.337 -3.833 -7.201 . . . 1.0 . . . . . . . . . . . . A . 298 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1266 . 1 1 10 GLU N N 10.515 -2.775 -3.682 . . . 1.0 . . . . . . . . . . . . A . 298 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 1267 . 1 1 10 GLU O O 8.077 -1.710 -4.525 . . . 1.0 . . . . . . . . . . . . A . 298 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 1268 . 1 1 10 GLU OE1 O 13.634 -2.612 -6.621 . . . 1.0 . . . . . . . . . . . . A . 298 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1269 . 1 1 10 GLU OE2 O 13.416 -4.010 -4.951 . . . 1.0 . . . . . . . . . . . . A . 298 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1270 . 1 1 11 CYS C C 7.096 0.883 -5.798 . . . 1.0 . . . . . . . . . . . . A . 299 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1271 . 1 1 11 CYS CA C 7.841 1.042 -4.474 . . . 1.0 . . . . . . . . . . . . A . 299 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1272 . 1 1 11 CYS CB C 8.138 2.515 -4.210 . . . 1.0 . . . . . . . . . . . . A . 299 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1273 . 1 1 11 CYS H H 9.946 0.770 -4.445 . . . 1.0 . . . . . . . . . . . . A . 299 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1274 . 1 1 11 CYS HA H 7.228 0.656 -3.676 . . . 1.0 . . . . . . . . . . . . A . 299 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1275 . 1 1 11 CYS HB2 H 8.562 2.618 -3.222 . . . 1.0 . . . . . . . . . . . . A . 299 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1276 . 1 1 11 CYS HB3 H 8.854 2.862 -4.937 . . . 1.0 . . . . . . . . . . . . A . 299 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1277 . 1 1 11 CYS N N 9.085 0.291 -4.493 . . . 1.0 . . . . . . . . . . . . A . 299 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1278 . 1 1 11 CYS O O 7.696 0.922 -6.865 . . . 1.0 . . . . . . . . . . . . A . 299 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1279 . 1 1 11 CYS SG S 6.680 3.604 -4.303 . . . 1.0 . . . . . . . . . . . . A . 299 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1280 . 1 1 12 ALA C C 4.937 1.856 -7.740 . . . 1.0 . . . . . . . . . . . . A . 300 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 1281 . 1 1 12 ALA CA C 4.940 0.576 -6.907 . . . 1.0 . . . . . . . . . . . . A . 300 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 1282 . 1 1 12 ALA CB C 3.521 0.212 -6.505 . . . 1.0 . . . . . . . . . . . . A . 300 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 1283 . 1 1 12 ALA H H 5.363 0.664 -4.827 . . . 1.0 . . . . . . . . . . . . A . 300 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 1284 . 1 1 12 ALA HA H 5.332 -0.234 -7.503 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 1285 . 1 1 12 ALA HB1 H 3.533 -0.690 -5.911 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 1286 . 1 1 12 ALA HB2 H 2.928 0.052 -7.393 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1287 . 1 1 12 ALA HB3 H 3.093 1.019 -5.928 . . . 1.0 . . . . . . . . . . . . A . 300 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1288 . 1 1 12 ALA N N 5.781 0.716 -5.719 . . . 1.0 . . . . . . . . . . . . A . 300 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 1289 . 1 1 12 ALA O O 4.545 1.850 -8.904 . . . 1.0 . . . . . . . . . . . . A . 300 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 1290 . 1 1 13 VAL C C 6.661 4.403 -8.659 . . . 1.0 . . . . . . . . . . . . A . 301 VAL C . . . . . . . . . c16510_2ke1 1 . 2 . 1291 . 1 1 13 VAL CA C 5.411 4.249 -7.787 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CA . . . . . . . . . c16510_2ke1 1 . 2 . 1292 . 1 1 13 VAL CB C 5.356 5.395 -6.750 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CB . . . . . . . . . c16510_2ke1 1 . 2 . 1293 . 1 1 13 VAL CG1 C 5.515 6.754 -7.417 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1294 . 1 1 13 VAL CG2 C 4.053 5.336 -5.967 . . . 1.0 . . . . . . . . . . . . A . 301 VAL CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1295 . 1 1 13 VAL H H 5.673 2.874 -6.199 . . . 1.0 . . . . . . . . . . . . A . 301 VAL H . . . . . . . . . c16510_2ke1 1 . 2 . 1296 . 1 1 13 VAL HA H 4.537 4.325 -8.418 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HA . . . . . . . . . c16510_2ke1 1 . 2 . 1297 . 1 1 13 VAL HB H 6.172 5.264 -6.052 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HB . . . . . . . . . c16510_2ke1 1 . 2 . 1298 . 1 1 13 VAL HG11 H 6.435 6.773 -7.982 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG11 . . . . . . . . . c16510_2ke1 1 . 2 . 1299 . 1 1 13 VAL HG12 H 5.545 7.525 -6.655 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG12 . . . . . . . . . c16510_2ke1 1 . 2 . 1300 . 1 1 13 VAL HG13 H 4.680 6.932 -8.077 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG13 . . . . . . . . . c16510_2ke1 1 . 2 . 1301 . 1 1 13 VAL HG21 H 3.219 5.443 -6.646 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1302 . 1 1 13 VAL HG22 H 4.032 6.139 -5.244 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1303 . 1 1 13 VAL HG23 H 3.982 4.388 -5.454 . . . 1.0 . . . . . . . . . . . . A . 301 VAL HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1304 . 1 1 13 VAL N N 5.375 2.948 -7.128 . . . 1.0 . . . . . . . . . . . . A . 301 VAL N . . . . . . . . . c16510_2ke1 1 . 2 . 1305 . 1 1 13 VAL O O 6.560 4.515 -9.879 . . . 1.0 . . . . . . . . . . . . A . 301 VAL O . . . . . . . . . c16510_2ke1 1 . 2 . 1306 . 1 1 14 CYS C C 10.012 3.447 -8.800 . . . 1.0 . . . . . . . . . . . . A . 302 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1307 . 1 1 14 CYS CA C 9.082 4.662 -8.759 . . . 1.0 . . . . . . . . . . . . A . 302 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1308 . 1 1 14 CYS CB C 9.796 5.840 -8.100 . . . 1.0 . . . . . . . . . . . . A . 302 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1309 . 1 1 14 CYS H H 7.873 4.182 -7.082 . . . 1.0 . . . . . . . . . . . . A . 302 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1310 . 1 1 14 CYS HA H 8.823 4.934 -9.771 . . . 1.0 . . . . . . . . . . . . A . 302 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1311 . 1 1 14 CYS HB2 H 10.775 5.953 -8.540 . . . 1.0 . . . . . . . . . . . . A . 302 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1312 . 1 1 14 CYS HB3 H 9.222 6.740 -8.268 . . . 1.0 . . . . . . . . . . . . A . 302 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1313 . 1 1 14 CYS N N 7.837 4.380 -8.040 . . . 1.0 . . . . . . . . . . . . A . 302 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1314 . 1 1 14 CYS O O 11.132 3.528 -9.306 . . . 1.0 . . . . . . . . . . . . A . 302 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1315 . 1 1 14 CYS SG S 10.010 5.644 -6.301 . . . 1.0 . . . . . . . . . . . . A . 302 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1316 . 1 1 15 ARG C C 11.614 1.248 -7.470 . . . 1.0 . . . . . . . . . . . . A . 303 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 1317 . 1 1 15 ARG CA C 10.284 1.072 -8.201 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 1318 . 1 1 15 ARG CB C 10.514 0.488 -9.600 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 1319 . 1 1 15 ARG CD C 8.167 -0.464 -9.655 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 1320 . 1 1 15 ARG CG C 9.237 0.309 -10.414 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 1321 . 1 1 15 ARG CZ C 7.949 -2.610 -8.446 . . . 1.0 . . . . . . . . . . . . A . 303 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 1322 . 1 1 15 ARG H H 8.617 2.336 -7.906 . . . 1.0 . . . . . . . . . . . . A . 303 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 1323 . 1 1 15 ARG HA H 9.684 0.374 -7.638 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 1324 . 1 1 15 ARG HB2 H 11.175 1.146 -10.147 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1325 . 1 1 15 ARG HB3 H 10.987 -0.475 -9.498 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1326 . 1 1 15 ARG HD2 H 7.949 0.056 -8.735 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1327 . 1 1 15 ARG HD3 H 7.276 -0.496 -10.266 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1328 . 1 1 15 ARG HE H 9.338 -2.210 -9.840 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 1329 . 1 1 15 ARG HG2 H 8.845 1.282 -10.666 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1330 . 1 1 15 ARG HG3 H 9.474 -0.227 -11.319 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1331 . 1 1 15 ARG HH11 H 6.648 -1.185 -7.840 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 1332 . 1 1 15 ARG HH12 H 6.485 -2.717 -7.040 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 1333 . 1 1 15 ARG HH21 H 9.112 -4.236 -8.792 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 1334 . 1 1 15 ARG HH22 H 7.861 -4.452 -7.597 . . . 1.0 . . . . . . . . . . . . A . 303 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 1335 . 1 1 15 ARG N N 9.528 2.327 -8.266 . . . 1.0 . . . . . . . . . . . . A . 303 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 1336 . 1 1 15 ARG NE N 8.571 -1.835 -9.339 . . . 1.0 . . . . . . . . . . . . A . 303 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 1337 . 1 1 15 ARG NH1 N 6.946 -2.129 -7.720 . . . 1.0 . . . . . . . . . . . . A . 303 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 1338 . 1 1 15 ARG NH2 N 8.344 -3.861 -8.263 . . . 1.0 . . . . . . . . . . . . A . 303 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 1339 . 1 1 15 ARG O O 12.601 0.581 -7.781 . . . 1.0 . . . . . . . . . . . . A . 303 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 1340 . 1 1 16 ASP C C 12.621 1.749 -4.303 . . . 1.0 . . . . . . . . . . . . A . 304 ASP C . . . . . . . . . c16510_2ke1 1 . 2 . 1341 . 1 1 16 ASP CA C 12.820 2.372 -5.682 . . . 1.0 . . . . . . . . . . . . A . 304 ASP CA . . . . . . . . . c16510_2ke1 1 . 2 . 1342 . 1 1 16 ASP CB C 13.093 3.872 -5.556 . . . 1.0 . . . . . . . . . . . . A . 304 ASP CB . . . . . . . . . c16510_2ke1 1 . 2 . 1343 . 1 1 16 ASP CG C 14.554 4.184 -5.290 . . . 1.0 . . . . . . . . . . . . A . 304 ASP CG . . . . . . . . . c16510_2ke1 1 . 2 . 1344 . 1 1 16 ASP H H 10.819 2.653 -6.301 . . . 1.0 . . . . . . . . . . . . A . 304 ASP H . . . . . . . . . c16510_2ke1 1 . 2 . 1345 . 1 1 16 ASP HA H 13.654 1.898 -6.168 . . . 1.0 . . . . . . . . . . . . A . 304 ASP HA . . . . . . . . . c16510_2ke1 1 . 2 . 1346 . 1 1 16 ASP HB2 H 12.802 4.362 -6.471 . . . 1.0 . . . . . . . . . . . . A . 304 ASP HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1347 . 1 1 16 ASP HB3 H 12.508 4.262 -4.742 . . . 1.0 . . . . . . . . . . . . A . 304 ASP HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1348 . 1 1 16 ASP N N 11.629 2.141 -6.489 . . . 1.0 . . . . . . . . . . . . A . 304 ASP N . . . . . . . . . c16510_2ke1 1 . 2 . 1349 . 1 1 16 ASP O O 11.562 1.190 -4.026 . . . 1.0 . . . . . . . . . . . . A . 304 ASP O . . . . . . . . . c16510_2ke1 1 . 2 . 1350 . 1 1 16 ASP OD1 O 15.021 3.976 -4.151 . . . 1.0 . . . . . . . . . . . . A . 304 ASP OD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1351 . 1 1 16 ASP OD2 O 15.244 4.642 -6.222 . . . 1.0 . . . . . . . . . . . . A . 304 ASP OD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1352 . 1 1 17 GLY C C 13.747 2.214 -1.003 . . . 1.0 . . . . . . . . . . . . A . 305 GLY C . . . . . . . . . c16510_2ke1 1 . 2 . 1353 . 1 1 17 GLY CA C 13.554 1.226 -2.137 . . . 1.0 . . . . . . . . . . . . A . 305 GLY CA . . . . . . . . . c16510_2ke1 1 . 2 . 1354 . 1 1 17 GLY H H 14.386 2.443 -3.666 . . . 1.0 . . . . . . . . . . . . A . 305 GLY H . . . . . . . . . c16510_2ke1 1 . 2 . 1355 . 1 1 17 GLY HA2 H 12.592 0.748 -2.026 . . . 1.0 . . . . . . . . . . . . A . 305 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 2 . 1356 . 1 1 17 GLY HA3 H 14.326 0.473 -2.081 . . . 1.0 . . . . . . . . . . . . A . 305 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 2 . 1357 . 1 1 17 GLY N N 13.615 1.870 -3.436 . . . 1.0 . . . . . . . . . . . . A . 305 GLY N . . . . . . . . . c16510_2ke1 1 . 2 . 1358 . 1 1 17 GLY O O 13.912 3.409 -1.240 . . . 1.0 . . . . . . . . . . . . A . 305 GLY O . . . . . . . . . c16510_2ke1 1 . 2 . 1359 . 1 1 18 GLY C C 12.740 2.494 2.341 . . . 1.0 . . . . . . . . . . . . A . 306 GLY C . . . . . . . . . c16510_2ke1 1 . 2 . 1360 . 1 1 18 GLY CA C 13.894 2.595 1.371 . . . 1.0 . . . . . . . . . . . . A . 306 GLY CA . . . . . . . . . c16510_2ke1 1 . 2 . 1361 . 1 1 18 GLY H H 13.589 0.758 0.362 . . . 1.0 . . . . . . . . . . . . A . 306 GLY H . . . . . . . . . c16510_2ke1 1 . 2 . 1362 . 1 1 18 GLY HA2 H 14.809 2.329 1.884 . . . 1.0 . . . . . . . . . . . . A . 306 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 2 . 1363 . 1 1 18 GLY HA3 H 13.972 3.615 1.026 . . . 1.0 . . . . . . . . . . . . A . 306 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 2 . 1364 . 1 1 18 GLY N N 13.724 1.724 0.226 . . . 1.0 . . . . . . . . . . . . A . 306 GLY N . . . . . . . . . c16510_2ke1 1 . 2 . 1365 . 1 1 18 GLY O O 12.395 1.397 2.786 . . . 1.0 . . . . . . . . . . . . A . 306 GLY O . . . . . . . . . c16510_2ke1 1 . 2 . 1366 . 1 1 19 GLU C C 9.748 3.221 2.883 . . . 1.0 . . . . . . . . . . . . A . 307 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 1367 . 1 1 19 GLU CA C 11.021 3.696 3.580 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1368 . 1 1 19 GLU CB C 10.832 5.119 4.092 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1369 . 1 1 19 GLU CD C 12.801 4.975 5.681 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 1370 . 1 1 19 GLU CG C 12.119 5.760 4.580 . . . 1.0 . . . . . . . . . . . . A . 307 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1371 . 1 1 19 GLU H H 12.494 4.467 2.278 . . . 1.0 . . . . . . . . . . . . A . 307 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 1372 . 1 1 19 GLU HA H 11.235 3.051 4.415 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1373 . 1 1 19 GLU HB2 H 10.429 5.728 3.295 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1374 . 1 1 19 GLU HB3 H 10.131 5.104 4.913 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1375 . 1 1 19 GLU HG2 H 12.798 5.831 3.746 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1376 . 1 1 19 GLU HG3 H 11.893 6.746 4.947 . . . 1.0 . . . . . . . . . . . . A . 307 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1377 . 1 1 19 GLU N N 12.151 3.637 2.662 . . . 1.0 . . . . . . . . . . . . A . 307 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 1378 . 1 1 19 GLU O O 9.002 4.021 2.315 . . . 1.0 . . . . . . . . . . . . A . 307 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 1379 . 1 1 19 GLU OE1 O 12.231 4.886 6.789 . . . 1.0 . . . . . . . . . . . . A . 307 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1380 . 1 1 19 GLU OE2 O 13.902 4.434 5.439 . . . 1.0 . . . . . . . . . . . . A . 307 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1381 . 1 1 20 LEU C C 7.213 1.014 3.099 . . . 1.0 . . . . . . . . . . . . A . 308 LEU C . . . . . . . . . c16510_2ke1 1 . 2 . 1382 . 1 1 20 LEU CA C 8.404 1.321 2.199 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1383 . 1 1 20 LEU CB C 8.864 0.034 1.512 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1384 . 1 1 20 LEU CD1 C 10.405 -1.132 -0.072 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1385 . 1 1 20 LEU CD2 C 9.203 0.916 -0.814 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1386 . 1 1 20 LEU CG C 9.860 0.215 0.364 . . . 1.0 . . . . . . . . . . . . A . 308 LEU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1387 . 1 1 20 LEU H H 10.084 1.355 3.494 . . . 1.0 . . . . . . . . . . . . A . 308 LEU H . . . . . . . . . c16510_2ke1 1 . 2 . 1388 . 1 1 20 LEU HA H 8.091 2.023 1.441 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1389 . 1 1 20 LEU HB2 H 9.323 -0.597 2.257 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1390 . 1 1 20 LEU HB3 H 7.994 -0.472 1.124 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1391 . 1 1 20 LEU HD11 H 10.954 -1.578 0.744 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1392 . 1 1 20 LEU HD12 H 11.062 -0.996 -0.922 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1393 . 1 1 20 LEU HD13 H 9.586 -1.778 -0.351 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1394 . 1 1 20 LEU HD21 H 9.891 0.933 -1.648 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 2 . 1395 . 1 1 20 LEU HD22 H 8.948 1.928 -0.538 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 2 . 1396 . 1 1 20 LEU HD23 H 8.307 0.383 -1.100 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 2 . 1397 . 1 1 20 LEU HG H 10.688 0.821 0.701 . . . 1.0 . . . . . . . . . . . . A . 308 LEU HG . . . . . . . . . c16510_2ke1 1 . 2 . 1398 . 1 1 20 LEU N N 9.507 1.922 2.935 . . . 1.0 . . . . . . . . . . . . A . 308 LEU N . . . . . . . . . c16510_2ke1 1 . 2 . 1399 . 1 1 20 LEU O O 7.365 0.669 4.271 . . . 1.0 . . . . . . . . . . . . A . 308 LEU O . . . . . . . . . c16510_2ke1 1 . 2 . 1400 . 1 1 21 ILE C C 3.987 -0.136 2.234 . . . 1.0 . . . . . . . . . . . . A . 309 ILE C . . . . . . . . . c16510_2ke1 1 . 2 . 1401 . 1 1 21 ILE CA C 4.791 0.765 3.174 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CA . . . . . . . . . c16510_2ke1 1 . 2 . 1402 . 1 1 21 ILE CB C 3.958 2.003 3.598 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CB . . . . . . . . . c16510_2ke1 1 . 2 . 1403 . 1 1 21 ILE CD1 C 1.726 2.740 4.585 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1404 . 1 1 21 ILE CG1 C 2.598 1.577 4.163 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1405 . 1 1 21 ILE CG2 C 3.782 2.977 2.438 . . . 1.0 . . . . . . . . . . . . A . 309 ILE CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1406 . 1 1 21 ILE H H 5.991 1.540 1.624 . . . 1.0 . . . . . . . . . . . . A . 309 ILE H . . . . . . . . . c16510_2ke1 1 . 2 . 1407 . 1 1 21 ILE HA H 5.045 0.203 4.062 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HA . . . . . . . . . c16510_2ke1 1 . 2 . 1408 . 1 1 21 ILE HB H 4.505 2.517 4.374 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HB . . . . . . . . . c16510_2ke1 1 . 2 . 1409 . 1 1 21 ILE HD11 H 0.786 2.365 4.962 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1410 . 1 1 21 ILE HD12 H 1.542 3.380 3.734 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1411 . 1 1 21 ILE HD13 H 2.225 3.304 5.358 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1412 . 1 1 21 ILE HG12 H 2.062 1.016 3.413 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG12 . . . . . . . . . c16510_2ke1 1 . 2 . 1413 . 1 1 21 ILE HG13 H 2.756 0.950 5.028 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG13 . . . . . . . . . c16510_2ke1 1 . 2 . 1414 . 1 1 21 ILE HG21 H 3.172 3.808 2.756 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1415 . 1 1 21 ILE HG22 H 3.301 2.471 1.613 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1416 . 1 1 21 ILE HG23 H 4.751 3.340 2.122 . . . 1.0 . . . . . . . . . . . . A . 309 ILE HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1417 . 1 1 21 ILE N N 6.031 1.154 2.528 . . . 1.0 . . . . . . . . . . . . A . 309 ILE N . . . . . . . . . c16510_2ke1 1 . 2 . 1418 . 1 1 21 ILE O O 3.573 0.282 1.153 . . . 1.0 . . . . . . . . . . . . A . 309 ILE O . . . . . . . . . c16510_2ke1 1 . 2 . 1419 . 1 1 22 CYS C C 1.716 -2.591 2.154 . . . 1.0 . . . . . . . . . . . . A . 310 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1420 . 1 1 22 CYS CA C 3.171 -2.365 1.763 . . . 1.0 . . . . . . . . . . . . A . 310 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1421 . 1 1 22 CYS CB C 3.952 -3.678 1.810 . . . 1.0 . . . . . . . . . . . . A . 310 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1422 . 1 1 22 CYS H H 4.086 -1.647 3.533 . . . 1.0 . . . . . . . . . . . . A . 310 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1423 . 1 1 22 CYS HA H 3.204 -1.979 0.756 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1424 . 1 1 22 CYS HB2 H 4.964 -3.497 1.479 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1425 . 1 1 22 CYS HB3 H 3.972 -4.036 2.827 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1426 . 1 1 22 CYS HG H 2.963 -4.469 -0.402 . . . 1.0 . . . . . . . . . . . . A . 310 CYS HG . . . . . . . . . c16510_2ke1 1 . 2 . 1427 . 1 1 22 CYS N N 3.799 -1.381 2.631 . . . 1.0 . . . . . . . . . . . . A . 310 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1428 . 1 1 22 CYS O O 1.344 -2.489 3.328 . . . 1.0 . . . . . . . . . . . . A . 310 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1429 . 1 1 22 CYS SG S 3.270 -4.995 0.778 . . . 1.0 . . . . . . . . . . . . A . 310 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1430 . 1 1 23 CYS C C -0.797 -4.473 1.931 . . . 1.0 . . . . . . . . . . . . A . 311 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1431 . 1 1 23 CYS CA C -0.524 -3.098 1.323 . . . 1.0 . . . . . . . . . . . . A . 311 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1432 . 1 1 23 CYS CB C -1.222 -2.963 -0.031 . . . 1.0 . . . . . . . . . . . . A . 311 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1433 . 1 1 23 CYS H H 1.277 -2.939 0.242 . . . 1.0 . . . . . . . . . . . . A . 311 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1434 . 1 1 23 CYS HA H -0.903 -2.336 1.990 . . . 1.0 . . . . . . . . . . . . A . 311 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1435 . 1 1 23 CYS HB2 H -1.027 -1.977 -0.427 . . . 1.0 . . . . . . . . . . . . A . 311 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1436 . 1 1 23 CYS HB3 H -0.815 -3.702 -0.708 . . . 1.0 . . . . . . . . . . . . A . 311 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1437 . 1 1 23 CYS N N 0.901 -2.872 1.147 . . . 1.0 . . . . . . . . . . . . A . 311 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1438 . 1 1 23 CYS O O 0.028 -5.382 1.818 . . . 1.0 . . . . . . . . . . . . A . 311 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1439 . 1 1 23 CYS SG S -3.026 -3.188 0.012 . . . 1.0 . . . . . . . . . . . . A . 311 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1440 . 1 1 24 ASP C C -2.478 -6.976 2.102 . . . 1.0 . . . . . . . . . . . . A . 312 ASP C . . . . . . . . . c16510_2ke1 1 . 2 . 1441 . 1 1 24 ASP CA C -2.324 -5.899 3.177 . . . 1.0 . . . . . . . . . . . . A . 312 ASP CA . . . . . . . . . c16510_2ke1 1 . 2 . 1442 . 1 1 24 ASP CB C -3.613 -5.778 3.994 . . . 1.0 . . . . . . . . . . . . A . 312 ASP CB . . . . . . . . . c16510_2ke1 1 . 2 . 1443 . 1 1 24 ASP CG C -4.089 -7.128 4.500 . . . 1.0 . . . . . . . . . . . . A . 312 ASP CG . . . . . . . . . c16510_2ke1 1 . 2 . 1444 . 1 1 24 ASP H H -2.521 -3.831 2.704 . . . 1.0 . . . . . . . . . . . . A . 312 ASP H . . . . . . . . . c16510_2ke1 1 . 2 . 1445 . 1 1 24 ASP HA H -1.530 -6.204 3.843 . . . 1.0 . . . . . . . . . . . . A . 312 ASP HA . . . . . . . . . c16510_2ke1 1 . 2 . 1446 . 1 1 24 ASP HB2 H -3.436 -5.136 4.844 . . . 1.0 . . . . . . . . . . . . A . 312 ASP HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1447 . 1 1 24 ASP HB3 H -4.389 -5.351 3.380 . . . 1.0 . . . . . . . . . . . . A . 312 ASP HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1448 . 1 1 24 ASP N N -1.931 -4.613 2.603 . . . 1.0 . . . . . . . . . . . . A . 312 ASP N . . . . . . . . . c16510_2ke1 1 . 2 . 1449 . 1 1 24 ASP O O -1.675 -7.906 2.026 . . . 1.0 . . . . . . . . . . . . A . 312 ASP O . . . . . . . . . c16510_2ke1 1 . 2 . 1450 . 1 1 24 ASP OD1 O -3.291 -7.842 5.149 . . . 1.0 . . . . . . . . . . . . A . 312 ASP OD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1451 . 1 1 24 ASP OD2 O -5.264 -7.481 4.257 . . . 1.0 . . . . . . . . . . . . A . 312 ASP OD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1452 . 1 1 25 GLY C C -3.011 -7.748 -0.996 . . . 1.0 . . . . . . . . . . . . A . 313 GLY C . . . . . . . . . c16510_2ke1 1 . 2 . 1453 . 1 1 25 GLY CA C -3.807 -7.871 0.289 . . . 1.0 . . . . . . . . . . . . A . 313 GLY CA . . . . . . . . . c16510_2ke1 1 . 2 . 1454 . 1 1 25 GLY H H -4.063 -6.034 1.316 . . . 1.0 . . . . . . . . . . . . A . 313 GLY H . . . . . . . . . c16510_2ke1 1 . 2 . 1455 . 1 1 25 GLY HA2 H -3.603 -8.837 0.728 . . . 1.0 . . . . . . . . . . . . A . 313 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 2 . 1456 . 1 1 25 GLY HA3 H -4.859 -7.818 0.051 . . . 1.0 . . . . . . . . . . . . A . 313 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 2 . 1457 . 1 1 25 GLY N N -3.501 -6.841 1.267 . . . 1.0 . . . . . . . . . . . . A . 313 GLY N . . . . . . . . . c16510_2ke1 1 . 2 . 1458 . 1 1 25 GLY O O -3.203 -8.536 -1.922 . . . 1.0 . . . . . . . . . . . . A . 313 GLY O . . . . . . . . . c16510_2ke1 1 . 2 . 1459 . 1 1 26 CYS C C 0.158 -6.393 -1.876 . . . 1.0 . . . . . . . . . . . . A . 314 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1460 . 1 1 26 CYS CA C -1.306 -6.570 -2.253 . . . 1.0 . . . . . . . . . . . . A . 314 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1461 . 1 1 26 CYS CB C -1.792 -5.362 -3.052 . . . 1.0 . . . . . . . . . . . . A . 314 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1462 . 1 1 26 CYS H H -2.005 -6.176 -0.294 . . . 1.0 . . . . . . . . . . . . A . 314 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1463 . 1 1 26 CYS HA H -1.399 -7.454 -2.866 . . . 1.0 . . . . . . . . . . . . A . 314 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1464 . 1 1 26 CYS HB2 H -1.758 -4.488 -2.420 . . . 1.0 . . . . . . . . . . . . A . 314 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1465 . 1 1 26 CYS HB3 H -1.135 -5.216 -3.898 . . . 1.0 . . . . . . . . . . . . A . 314 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1466 . 1 1 26 CYS N N -2.124 -6.769 -1.065 . . . 1.0 . . . . . . . . . . . . A . 314 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1467 . 1 1 26 CYS O O 0.493 -5.550 -1.047 . . . 1.0 . . . . . . . . . . . . A . 314 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1468 . 1 1 26 CYS SG S -3.493 -5.521 -3.691 . . . 1.0 . . . . . . . . . . . . A . 314 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1469 . 1 1 27 PRO C C 3.190 -5.877 -2.518 . . . 1.0 . . . . . . . . . . . . A . 315 PRO C . . . . . . . . . c16510_2ke1 1 . 2 . 1470 . 1 1 27 PRO CA C 2.483 -7.191 -2.182 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CA . . . . . . . . . c16510_2ke1 1 . 2 . 1471 . 1 1 27 PRO CB C 3.043 -8.325 -3.045 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CB . . . . . . . . . c16510_2ke1 1 . 2 . 1472 . 1 1 27 PRO CD C 0.719 -8.144 -3.569 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CD . . . . . . . . . c16510_2ke1 1 . 2 . 1473 . 1 1 27 PRO CG C 2.061 -8.491 -4.152 . . . 1.0 . . . . . . . . . . . . A . 315 PRO CG . . . . . . . . . c16510_2ke1 1 . 2 . 1474 . 1 1 27 PRO HA H 2.648 -7.422 -1.142 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HA . . . . . . . . . c16510_2ke1 1 . 2 . 1475 . 1 1 27 PRO HB2 H 4.017 -8.042 -3.418 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1476 . 1 1 27 PRO HB3 H 3.126 -9.223 -2.454 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1477 . 1 1 27 PRO HD2 H 0.088 -7.687 -4.318 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1478 . 1 1 27 PRO HD3 H 0.247 -9.025 -3.162 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1479 . 1 1 27 PRO HG2 H 2.304 -7.819 -4.962 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1480 . 1 1 27 PRO HG3 H 2.064 -9.514 -4.498 . . . 1.0 . . . . . . . . . . . . A . 315 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1481 . 1 1 27 PRO N N 1.048 -7.183 -2.503 . . . 1.0 . . . . . . . . . . . . A . 315 PRO N . . . . . . . . . c16510_2ke1 1 . 2 . 1482 . 1 1 27 PRO O O 4.336 -5.672 -2.126 . . . 1.0 . . . . . . . . . . . . A . 315 PRO O . . . . . . . . . c16510_2ke1 1 . 2 . 1483 . 1 1 28 ARG C C 3.401 -2.884 -2.360 . . . 1.0 . . . . . . . . . . . . A . 316 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 1484 . 1 1 28 ARG CA C 3.068 -3.699 -3.602 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 1485 . 1 1 28 ARG CB C 2.100 -2.890 -4.469 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 1486 . 1 1 28 ARG CD C 1.107 -2.425 -6.714 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 1487 . 1 1 28 ARG CG C 1.949 -3.393 -5.894 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 1488 . 1 1 28 ARG CZ C -0.257 -3.180 -8.629 . . . 1.0 . . . . . . . . . . . . A . 316 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 1489 . 1 1 28 ARG H H 1.602 -5.222 -3.531 . . . 1.0 . . . . . . . . . . . . A . 316 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 1490 . 1 1 28 ARG HA H 3.975 -3.872 -4.158 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 1491 . 1 1 28 ARG HB2 H 1.126 -2.910 -4.003 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1492 . 1 1 28 ARG HB3 H 2.443 -1.866 -4.509 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1493 . 1 1 28 ARG HD2 H 0.137 -2.327 -6.248 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1494 . 1 1 28 ARG HD3 H 1.603 -1.462 -6.718 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1495 . 1 1 28 ARG HE H 1.728 -2.905 -8.667 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 1496 . 1 1 28 ARG HG2 H 2.927 -3.478 -6.344 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1497 . 1 1 28 ARG HG3 H 1.467 -4.358 -5.880 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1498 . 1 1 28 ARG HH11 H -1.313 -2.889 -6.923 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 1499 . 1 1 28 ARG HH12 H -2.252 -3.396 -8.292 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 1500 . 1 1 28 ARG HH21 H 0.506 -3.538 -10.466 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 1501 . 1 1 28 ARG HH22 H -1.211 -3.756 -10.326 . . . 1.0 . . . . . . . . . . . . A . 316 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 1502 . 1 1 28 ARG N N 2.506 -4.996 -3.243 . . . 1.0 . . . . . . . . . . . . A . 316 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 1503 . 1 1 28 ARG NE N 0.921 -2.864 -8.093 . . . 1.0 . . . . . . . . . . . . A . 316 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 1504 . 1 1 28 ARG NH1 N -1.360 -3.149 -7.886 . . . 1.0 . . . . . . . . . . . . A . 316 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 1505 . 1 1 28 ARG NH2 N -0.326 -3.519 -9.908 . . . 1.0 . . . . . . . . . . . . A . 316 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 1506 . 1 1 28 ARG O O 2.571 -2.739 -1.457 . . . 1.0 . . . . . . . . . . . . A . 316 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 1507 . 1 1 29 ALA C C 5.201 -0.058 -1.905 . . . 1.0 . . . . . . . . . . . . A . 317 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 1508 . 1 1 29 ALA CA C 5.025 -1.437 -1.290 . . . 1.0 . . . . . . . . . . . . A . 317 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 1509 . 1 1 29 ALA CB C 6.312 -1.905 -0.626 . . . 1.0 . . . . . . . . . . . . A . 317 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 1510 . 1 1 29 ALA H H 5.251 -2.592 -3.035 . . . 1.0 . . . . . . . . . . . . A . 317 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 1511 . 1 1 29 ALA HA H 4.246 -1.395 -0.543 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 1512 . 1 1 29 ALA HB1 H 6.623 -1.175 0.107 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 1513 . 1 1 29 ALA HB2 H 7.084 -2.019 -1.372 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1514 . 1 1 29 ALA HB3 H 6.139 -2.854 -0.136 . . . 1.0 . . . . . . . . . . . . A . 317 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1515 . 1 1 29 ALA N N 4.613 -2.363 -2.328 . . . 1.0 . . . . . . . . . . . . A . 317 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 1516 . 1 1 29 ALA O O 5.429 0.059 -3.108 . . . 1.0 . . . . . . . . . . . . A . 317 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 1517 . 1 1 30 PHE C C 6.018 3.214 -0.742 . . . 1.0 . . . . . . . . . . . . A . 318 PHE C . . . . . . . . . c16510_2ke1 1 . 2 . 1518 . 1 1 30 PHE CA C 5.126 2.344 -1.614 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CA . . . . . . . . . c16510_2ke1 1 . 2 . 1519 . 1 1 30 PHE CB C 3.729 2.972 -1.644 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CB . . . . . . . . . c16510_2ke1 1 . 2 . 1520 . 1 1 30 PHE CD1 C 2.066 1.112 -1.900 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1521 . 1 1 30 PHE CD2 C 2.343 2.639 -3.707 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1522 . 1 1 30 PHE CE1 C 1.099 0.438 -2.612 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1523 . 1 1 30 PHE CE2 C 1.368 1.971 -4.423 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1524 . 1 1 30 PHE CG C 2.699 2.220 -2.438 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CG . . . . . . . . . c16510_2ke1 1 . 2 . 1525 . 1 1 30 PHE CZ C 0.748 0.866 -3.874 . . . 1.0 . . . . . . . . . . . . A . 318 PHE CZ . . . . . . . . . c16510_2ke1 1 . 2 . 1526 . 1 1 30 PHE H H 4.896 0.828 -0.146 . . . 1.0 . . . . . . . . . . . . A . 318 PHE H . . . . . . . . . c16510_2ke1 1 . 2 . 1527 . 1 1 30 PHE HA H 5.527 2.314 -2.614 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HA . . . . . . . . . c16510_2ke1 1 . 2 . 1528 . 1 1 30 PHE HB2 H 3.362 3.049 -0.632 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1529 . 1 1 30 PHE HB3 H 3.807 3.965 -2.061 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1530 . 1 1 30 PHE HD1 H 2.340 0.777 -0.909 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1531 . 1 1 30 PHE HD2 H 2.830 3.504 -4.138 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1532 . 1 1 30 PHE HE1 H 0.615 -0.425 -2.179 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1533 . 1 1 30 PHE HE2 H 1.097 2.309 -5.412 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1534 . 1 1 30 PHE HZ H -0.018 0.347 -4.425 . . . 1.0 . . . . . . . . . . . . A . 318 PHE HZ . . . . . . . . . c16510_2ke1 1 . 2 . 1535 . 1 1 30 PHE N N 5.060 0.981 -1.104 . . . 1.0 . . . . . . . . . . . . A . 318 PHE N . . . . . . . . . c16510_2ke1 1 . 2 . 1536 . 1 1 30 PHE O O 6.369 2.836 0.370 . . . 1.0 . . . . . . . . . . . . A . 318 PHE O . . . . . . . . . c16510_2ke1 1 . 2 . 1537 . 1 1 31 HIS C C 5.987 6.390 0.016 . . . 1.0 . . . . . . . . . . . . A . 319 HIS C . . . . . . . . . c16510_2ke1 1 . 2 . 1538 . 1 1 31 HIS CA C 7.032 5.401 -0.469 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1539 . 1 1 31 HIS CB C 8.102 6.139 -1.279 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1540 . 1 1 31 HIS CD2 C 10.305 4.913 -0.727 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1541 . 1 1 31 HIS CE1 C 10.768 4.257 -2.749 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1542 . 1 1 31 HIS CG C 9.328 5.329 -1.568 . . . 1.0 . . . . . . . . . . . . A . 319 HIS CG . . . . . . . . . c16510_2ke1 1 . 2 . 1543 . 1 1 31 HIS H H 6.189 4.558 -2.204 . . . 1.0 . . . . . . . . . . . . A . 319 HIS H . . . . . . . . . c16510_2ke1 1 . 2 . 1544 . 1 1 31 HIS HA H 7.491 4.924 0.388 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1545 . 1 1 31 HIS HB2 H 7.677 6.439 -2.230 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1546 . 1 1 31 HIS HB3 H 8.408 7.024 -0.737 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1547 . 1 1 31 HIS HD2 H 10.355 5.082 0.341 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1548 . 1 1 31 HIS HE1 H 11.269 3.787 -3.588 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1549 . 1 1 31 HIS HE2 H 12.139 4.007 -1.215 . . . 1.0 . . . . . . . . . . . . A . 319 HIS HE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1550 . 1 1 31 HIS N N 6.376 4.379 -1.262 . . . 1.0 . . . . . . . . . . . . A . 319 HIS N . . . . . . . . . c16510_2ke1 1 . 2 . 1551 . 1 1 31 HIS ND1 N 9.625 4.912 -2.841 . . . 1.0 . . . . . . . . . . . . A . 319 HIS ND1 . . . . . . . . . c16510_2ke1 1 . 2 . 1552 . 1 1 31 HIS NE2 N 11.220 4.232 -1.489 . . . 1.0 . . . . . . . . . . . . A . 319 HIS NE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1553 . 1 1 31 HIS O O 5.016 6.648 -0.701 . . . 1.0 . . . . . . . . . . . . A . 319 HIS O . . . . . . . . . c16510_2ke1 1 . 2 . 1554 . 1 1 32 LEU C C 4.786 8.966 0.918 . . . 1.0 . . . . . . . . . . . . A . 320 LEU C . . . . . . . . . c16510_2ke1 1 . 2 . 1555 . 1 1 32 LEU CA C 5.155 7.789 1.815 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1556 . 1 1 32 LEU CB C 5.615 8.291 3.184 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1557 . 1 1 32 LEU CD1 C 6.215 7.816 5.566 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1558 . 1 1 32 LEU CD2 C 4.479 6.431 4.420 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1559 . 1 1 32 LEU CG C 5.777 7.204 4.247 . . . 1.0 . . . . . . . . . . . . A . 320 LEU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1560 . 1 1 32 LEU H H 7.021 6.798 1.672 . . . 1.0 . . . . . . . . . . . . A . 320 LEU H . . . . . . . . . c16510_2ke1 1 . 2 . 1561 . 1 1 32 LEU HA H 4.274 7.186 1.956 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1562 . 1 1 32 LEU HB2 H 6.563 8.795 3.061 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1563 . 1 1 32 LEU HB3 H 4.890 9.004 3.540 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1564 . 1 1 32 LEU HD11 H 6.302 7.037 6.310 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1565 . 1 1 32 LEU HD12 H 5.481 8.540 5.888 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1566 . 1 1 32 LEU HD13 H 7.169 8.301 5.438 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1567 . 1 1 32 LEU HD21 H 3.692 7.111 4.715 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 2 . 1568 . 1 1 32 LEU HD22 H 4.607 5.678 5.183 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 2 . 1569 . 1 1 32 LEU HD23 H 4.217 5.955 3.487 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 2 . 1570 . 1 1 32 LEU HG H 6.541 6.510 3.929 . . . 1.0 . . . . . . . . . . . . A . 320 LEU HG . . . . . . . . . c16510_2ke1 1 . 2 . 1571 . 1 1 32 LEU N N 6.173 6.942 1.204 . . . 1.0 . . . . . . . . . . . . A . 320 LEU N . . . . . . . . . c16510_2ke1 1 . 2 . 1572 . 1 1 32 LEU O O 3.609 9.182 0.624 . . . 1.0 . . . . . . . . . . . . A . 320 LEU O . . . . . . . . . c16510_2ke1 1 . 2 . 1573 . 1 1 33 ALA C C 5.166 10.539 -1.779 . . . 1.0 . . . . . . . . . . . . A . 321 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 1574 . 1 1 33 ALA CA C 5.578 10.890 -0.349 . . . 1.0 . . . . . . . . . . . . A . 321 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 1575 . 1 1 33 ALA CB C 6.840 11.734 -0.362 . . . 1.0 . . . . . . . . . . . . A . 321 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 1576 . 1 1 33 ALA H H 6.717 9.430 0.674 . . . 1.0 . . . . . . . . . . . . A . 321 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 1577 . 1 1 33 ALA HA H 4.790 11.470 0.112 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 1578 . 1 1 33 ALA HB1 H 7.102 12.007 0.649 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 1579 . 1 1 33 ALA HB2 H 6.671 12.627 -0.945 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1580 . 1 1 33 ALA HB3 H 7.647 11.165 -0.801 . . . 1.0 . . . . . . . . . . . . A . 321 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1581 . 1 1 33 ALA N N 5.794 9.697 0.461 . . . 1.0 . . . . . . . . . . . . A . 321 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 1582 . 1 1 33 ALA O O 4.619 11.373 -2.498 . . . 1.0 . . . . . . . . . . . . A . 321 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 1583 . 1 1 34 CYS C C 3.621 8.485 -3.609 . . . 1.0 . . . . . . . . . . . . A . 322 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1584 . 1 1 34 CYS CA C 5.095 8.862 -3.533 . . . 1.0 . . . . . . . . . . . . A . 322 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1585 . 1 1 34 CYS CB C 5.967 7.678 -3.945 . . . 1.0 . . . . . . . . . . . . A . 322 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1586 . 1 1 34 CYS H H 5.924 8.704 -1.587 . . . 1.0 . . . . . . . . . . . . A . 322 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1587 . 1 1 34 CYS HA H 5.277 9.680 -4.212 . . . 1.0 . . . . . . . . . . . . A . 322 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1588 . 1 1 34 CYS HB2 H 5.833 6.876 -3.234 . . . 1.0 . . . . . . . . . . . . A . 322 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1589 . 1 1 34 CYS HB3 H 5.658 7.337 -4.922 . . . 1.0 . . . . . . . . . . . . A . 322 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1590 . 1 1 34 CYS N N 5.451 9.312 -2.192 . . . 1.0 . . . . . . . . . . . . A . 322 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1591 . 1 1 34 CYS O O 3.043 8.403 -4.694 . . . 1.0 . . . . . . . . . . . . A . 322 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1592 . 1 1 34 CYS SG S 7.748 8.058 -4.027 . . . 1.0 . . . . . . . . . . . . A . 322 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1593 . 1 1 35 LEU C C 0.787 9.236 -2.618 . . . 1.0 . . . . . . . . . . . . A . 323 LEU C . . . . . . . . . c16510_2ke1 1 . 2 . 1594 . 1 1 35 LEU CA C 1.592 7.966 -2.389 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1595 . 1 1 35 LEU CB C 1.227 7.357 -1.038 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1596 . 1 1 35 LEU CD1 C 1.375 5.434 0.549 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1597 . 1 1 35 LEU CD2 C 0.709 5.052 -1.828 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1598 . 1 1 35 LEU CG C 1.570 5.881 -0.889 . . . 1.0 . . . . . . . . . . . . A . 323 LEU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1599 . 1 1 35 LEU H H 3.545 8.207 -1.629 . . . 1.0 . . . . . . . . . . . . A . 323 LEU H . . . . . . . . . c16510_2ke1 1 . 2 . 1600 . 1 1 35 LEU HA H 1.353 7.259 -3.168 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1601 . 1 1 35 LEU HB2 H 1.746 7.908 -0.269 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1602 . 1 1 35 LEU HB3 H 0.165 7.474 -0.887 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1603 . 1 1 35 LEU HD11 H 2.043 5.988 1.193 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1604 . 1 1 35 LEU HD12 H 1.589 4.377 0.630 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1605 . 1 1 35 LEU HD13 H 0.354 5.619 0.846 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1606 . 1 1 35 LEU HD21 H -0.331 5.169 -1.560 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 2 . 1607 . 1 1 35 LEU HD22 H 0.988 4.012 -1.749 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 2 . 1608 . 1 1 35 LEU HD23 H 0.859 5.388 -2.844 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 2 . 1609 . 1 1 35 LEU HG H 2.606 5.724 -1.153 . . . 1.0 . . . . . . . . . . . . A . 323 LEU HG . . . . . . . . . c16510_2ke1 1 . 2 . 1610 . 1 1 35 LEU N N 3.017 8.233 -2.457 . . . 1.0 . . . . . . . . . . . . A . 323 LEU N . . . . . . . . . c16510_2ke1 1 . 2 . 1611 . 1 1 35 LEU O O 1.280 10.343 -2.422 . . . 1.0 . . . . . . . . . . . . A . 323 LEU O . . . . . . . . . c16510_2ke1 1 . 2 . 1612 . 1 1 36 SER C C -2.748 9.767 -2.782 . . . 1.0 . . . . . . . . . . . . A . 324 SER C . . . . . . . . . c16510_2ke1 1 . 2 . 1613 . 1 1 36 SER CA C -1.354 10.167 -3.254 . . . 1.0 . . . . . . . . . . . . A . 324 SER CA . . . . . . . . . c16510_2ke1 1 . 2 . 1614 . 1 1 36 SER CB C -1.360 10.563 -4.729 . . . 1.0 . . . . . . . . . . . . A . 324 SER CB . . . . . . . . . c16510_2ke1 1 . 2 . 1615 . 1 1 36 SER H H -0.751 8.156 -3.260 . . . 1.0 . . . . . . . . . . . . A . 324 SER H . . . . . . . . . c16510_2ke1 1 . 2 . 1616 . 1 1 36 SER HA H -1.005 11.000 -2.664 . . . 1.0 . . . . . . . . . . . . A . 324 SER HA . . . . . . . . . c16510_2ke1 1 . 2 . 1617 . 1 1 36 SER HB2 H -0.351 10.776 -5.036 . . . 1.0 . . . . . . . . . . . . A . 324 SER HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1618 . 1 1 36 SER HB3 H -1.747 9.743 -5.312 . . . 1.0 . . . . . . . . . . . . A . 324 SER HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1619 . 1 1 36 SER HG H -2.519 11.665 -5.864 . . . 1.0 . . . . . . . . . . . . A . 324 SER HG . . . . . . . . . c16510_2ke1 1 . 2 . 1620 . 1 1 36 SER N N -0.443 9.060 -3.056 . . . 1.0 . . . . . . . . . . . . A . 324 SER N . . . . . . . . . c16510_2ke1 1 . 2 . 1621 . 1 1 36 SER O O -3.405 8.935 -3.410 . . . 1.0 . . . . . . . . . . . . A . 324 SER O . . . . . . . . . c16510_2ke1 1 . 2 . 1622 . 1 1 36 SER OG O -2.159 11.712 -4.968 . . . 1.0 . . . . . . . . . . . . A . 324 SER OG . . . . . . . . . c16510_2ke1 1 . 2 . 1623 . 1 1 37 PRO C C -1.331 10.672 -0.057 . . . 1.0 . . . . . . . . . . . . A . 325 PRO C . . . . . . . . . c16510_2ke1 1 . 2 . 1624 . 1 1 37 PRO CA C -2.471 11.307 -0.854 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CA . . . . . . . . . c16510_2ke1 1 . 2 . 1625 . 1 1 37 PRO CB C -3.531 11.873 0.108 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CB . . . . . . . . . c16510_2ke1 1 . 2 . 1626 . 1 1 37 PRO CD C -4.527 10.056 -1.068 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CD . . . . . . . . . c16510_2ke1 1 . 2 . 1627 . 1 1 37 PRO CG C -4.840 11.350 -0.383 . . . 1.0 . . . . . . . . . . . . A . 325 PRO CG . . . . . . . . . c16510_2ke1 1 . 2 . 1628 . 1 1 37 PRO HA H -2.077 12.103 -1.470 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HA . . . . . . . . . c16510_2ke1 1 . 2 . 1629 . 1 1 37 PRO HB2 H -3.326 11.530 1.111 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1630 . 1 1 37 PRO HB3 H -3.504 12.952 0.080 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1631 . 1 1 37 PRO HD2 H -4.472 9.249 -0.351 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1632 . 1 1 37 PRO HD3 H -5.259 9.840 -1.832 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1633 . 1 1 37 PRO HG2 H -5.507 11.183 0.451 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1634 . 1 1 37 PRO HG3 H -5.277 12.049 -1.082 . . . 1.0 . . . . . . . . . . . . A . 325 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1635 . 1 1 37 PRO N N -3.217 10.327 -1.656 . . . 1.0 . . . . . . . . . . . . A . 325 PRO N . . . . . . . . . c16510_2ke1 1 . 2 . 1636 . 1 1 37 PRO O O -1.443 9.540 0.417 . . . 1.0 . . . . . . . . . . . . A . 325 PRO O . . . . . . . . . c16510_2ke1 1 . 2 . 1637 . 1 1 38 PRO C C 0.733 10.858 2.318 . . . 1.0 . . . . . . . . . . . . A . 326 PRO C . . . . . . . . . c16510_2ke1 1 . 2 . 1638 . 1 1 38 PRO CA C 0.968 10.935 0.813 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CA . . . . . . . . . c16510_2ke1 1 . 2 . 1639 . 1 1 38 PRO CB C 2.044 11.986 0.502 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CB . . . . . . . . . c16510_2ke1 1 . 2 . 1640 . 1 1 38 PRO CD C -0.018 12.743 -0.471 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CD . . . . . . . . . c16510_2ke1 1 . 2 . 1641 . 1 1 38 PRO CG C 1.474 12.858 -0.572 . . . 1.0 . . . . . . . . . . . . A . 326 PRO CG . . . . . . . . . c16510_2ke1 1 . 2 . 1642 . 1 1 38 PRO HA H 1.293 9.969 0.454 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HA . . . . . . . . . c16510_2ke1 1 . 2 . 1643 . 1 1 38 PRO HB2 H 2.259 12.552 1.394 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1644 . 1 1 38 PRO HB3 H 2.941 11.489 0.164 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1645 . 1 1 38 PRO HD2 H -0.415 13.497 0.191 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1646 . 1 1 38 PRO HD3 H -0.470 12.824 -1.449 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1647 . 1 1 38 PRO HG2 H 1.780 13.881 -0.413 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1648 . 1 1 38 PRO HG3 H 1.810 12.513 -1.539 . . . 1.0 . . . . . . . . . . . . A . 326 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1649 . 1 1 38 PRO N N -0.215 11.402 0.083 . . . 1.0 . . . . . . . . . . . . A . 326 PRO N . . . . . . . . . c16510_2ke1 1 . 2 . 1650 . 1 1 38 PRO O O 0.205 11.795 2.924 . . . 1.0 . . . . . . . . . . . . A . 326 PRO O . . . . . . . . . c16510_2ke1 1 . 2 . 1651 . 1 1 39 LEU C C 2.121 10.172 5.122 . . . 1.0 . . . . . . . . . . . . A . 327 LEU C . . . . . . . . . c16510_2ke1 1 . 2 . 1652 . 1 1 39 LEU CA C 0.976 9.529 4.348 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1653 . 1 1 39 LEU CB C 0.909 8.030 4.679 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1654 . 1 1 39 LEU CD1 C -1.543 8.024 5.233 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1655 . 1 1 39 LEU CD2 C -0.785 7.301 2.955 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1656 . 1 1 39 LEU CG C -0.442 7.338 4.438 . . . 1.0 . . . . . . . . . . . . A . 327 LEU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1657 . 1 1 39 LEU H H 1.578 9.054 2.374 . . . 1.0 . . . . . . . . . . . . A . 327 LEU H . . . . . . . . . c16510_2ke1 1 . 2 . 1658 . 1 1 39 LEU HA H 0.050 9.997 4.649 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1659 . 1 1 39 LEU HB2 H 1.654 7.524 4.085 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1660 . 1 1 39 LEU HB3 H 1.165 7.907 5.721 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1661 . 1 1 39 LEU HD11 H -1.594 9.067 4.956 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1662 . 1 1 39 LEU HD12 H -1.328 7.942 6.289 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1663 . 1 1 39 LEU HD13 H -2.489 7.549 5.021 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1664 . 1 1 39 LEU HD21 H -0.025 6.746 2.426 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 2 . 1665 . 1 1 39 LEU HD22 H -0.829 8.309 2.570 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 2 . 1666 . 1 1 39 LEU HD23 H -1.744 6.821 2.818 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 2 . 1667 . 1 1 39 LEU HG H -0.374 6.319 4.788 . . . 1.0 . . . . . . . . . . . . A . 327 LEU HG . . . . . . . . . c16510_2ke1 1 . 2 . 1668 . 1 1 39 LEU N N 1.139 9.744 2.914 . . . 1.0 . . . . . . . . . . . . A . 327 LEU N . . . . . . . . . c16510_2ke1 1 . 2 . 1669 . 1 1 39 LEU O O 3.292 9.970 4.800 . . . 1.0 . . . . . . . . . . . . A . 327 LEU O . . . . . . . . . c16510_2ke1 1 . 2 . 1670 . 1 1 40 ARG C C 3.310 10.668 8.032 . . . 1.0 . . . . . . . . . . . . A . 328 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 1671 . 1 1 40 ARG CA C 2.777 11.617 6.962 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 1672 . 1 1 40 ARG CB C 2.210 12.885 7.616 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 1673 . 1 1 40 ARG CD C -0.180 12.311 8.201 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 1674 . 1 1 40 ARG CG C 1.209 12.631 8.732 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 1675 . 1 1 40 ARG CZ C -1.898 12.653 9.938 . . . 1.0 . . . . . . . . . . . . A . 328 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 1676 . 1 1 40 ARG H H 0.822 11.104 6.323 . . . 1.0 . . . . . . . . . . . . A . 328 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 1677 . 1 1 40 ARG HA H 3.596 11.896 6.317 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 1678 . 1 1 40 ARG HB2 H 3.029 13.456 8.027 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1679 . 1 1 40 ARG HB3 H 1.724 13.476 6.856 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1680 . 1 1 40 ARG HD2 H -0.596 13.200 7.751 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1681 . 1 1 40 ARG HD3 H -0.100 11.532 7.457 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1682 . 1 1 40 ARG HE H -1.014 10.897 9.518 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 1683 . 1 1 40 ARG HG2 H 1.554 11.796 9.322 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1684 . 1 1 40 ARG HG3 H 1.151 13.512 9.353 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1685 . 1 1 40 ARG HH11 H -1.493 14.300 8.824 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 1686 . 1 1 40 ARG HH12 H -2.655 14.528 10.098 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 1687 . 1 1 40 ARG HH21 H -2.555 11.196 11.192 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 1688 . 1 1 40 ARG HH22 H -3.235 12.775 11.453 . . . 1.0 . . . . . . . . . . . . A . 328 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 1689 . 1 1 40 ARG N N 1.774 10.956 6.136 . . . 1.0 . . . . . . . . . . . . A . 328 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 1690 . 1 1 40 ARG NE N -1.065 11.858 9.270 . . . 1.0 . . . . . . . . . . . . A . 328 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 1691 . 1 1 40 ARG NH1 N -2.023 13.926 9.593 . . . 1.0 . . . . . . . . . . . . A . 328 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 1692 . 1 1 40 ARG NH2 N -2.624 12.169 10.935 . . . 1.0 . . . . . . . . . . . . A . 328 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 1693 . 1 1 40 ARG O O 4.432 10.827 8.516 . . . 1.0 . . . . . . . . . . . . A . 328 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 1694 . 1 1 41 GLU C C 2.277 7.332 9.010 . . . 1.0 . . . . . . . . . . . . A . 329 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 1695 . 1 1 41 GLU CA C 2.893 8.678 9.369 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1696 . 1 1 41 GLU CB C 2.532 9.093 10.806 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1697 . 1 1 41 GLU CD C -0.010 9.100 10.705 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 1698 . 1 1 41 GLU CG C 1.249 9.905 10.948 . . . 1.0 . . . . . . . . . . . . A . 329 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1699 . 1 1 41 GLU H H 1.595 9.647 8.014 . . . 1.0 . . . . . . . . . . . . A . 329 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 1700 . 1 1 41 GLU HA H 3.966 8.583 9.299 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1701 . 1 1 41 GLU HB2 H 2.424 8.201 11.402 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1702 . 1 1 41 GLU HB3 H 3.345 9.681 11.207 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1703 . 1 1 41 GLU HG2 H 1.206 10.305 11.951 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1704 . 1 1 41 GLU HG3 H 1.278 10.722 10.241 . . . 1.0 . . . . . . . . . . . . A . 329 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1705 . 1 1 41 GLU N N 2.493 9.692 8.404 . . . 1.0 . . . . . . . . . . . . A . 329 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 1706 . 1 1 41 GLU O O 1.288 7.265 8.278 . . . 1.0 . . . . . . . . . . . . A . 329 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 1707 . 1 1 41 GLU OE1 O -0.413 8.332 11.602 . . . 1.0 . . . . . . . . . . . . A . 329 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1708 . 1 1 41 GLU OE2 O -0.621 9.258 9.628 . . . 1.0 . . . . . . . . . . . . A . 329 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1709 . 1 1 42 ILE C C 1.221 4.497 9.909 . . . 1.0 . . . . . . . . . . . . A . 330 ILE C . . . . . . . . . c16510_2ke1 1 . 2 . 1710 . 1 1 42 ILE CA C 2.490 4.914 9.172 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CA . . . . . . . . . c16510_2ke1 1 . 2 . 1711 . 1 1 42 ILE CB C 3.626 3.909 9.458 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CB . . . . . . . . . c16510_2ke1 1 . 2 . 1712 . 1 1 42 ILE CD1 C 4.316 4.026 7.013 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1713 . 1 1 42 ILE CG1 C 4.763 4.124 8.458 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1714 . 1 1 42 ILE CG2 C 3.120 2.473 9.405 . . . 1.0 . . . . . . . . . . . . A . 330 ILE CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1715 . 1 1 42 ILE H H 3.679 6.404 10.084 . . . 1.0 . . . . . . . . . . . . A . 330 ILE H . . . . . . . . . c16510_2ke1 1 . 2 . 1716 . 1 1 42 ILE HA H 2.288 4.888 8.111 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HA . . . . . . . . . c16510_2ke1 1 . 2 . 1717 . 1 1 42 ILE HB H 3.997 4.096 10.454 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HB . . . . . . . . . c16510_2ke1 1 . 2 . 1718 . 1 1 42 ILE HD11 H 4.038 3.005 6.789 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1719 . 1 1 42 ILE HD12 H 5.123 4.330 6.365 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1720 . 1 1 42 ILE HD13 H 3.461 4.672 6.856 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1721 . 1 1 42 ILE HG12 H 5.188 5.105 8.609 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG12 . . . . . . . . . c16510_2ke1 1 . 2 . 1722 . 1 1 42 ILE HG13 H 5.525 3.377 8.622 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG13 . . . . . . . . . c16510_2ke1 1 . 2 . 1723 . 1 1 42 ILE HG21 H 3.941 1.792 9.577 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1724 . 1 1 42 ILE HG22 H 2.689 2.279 8.434 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1725 . 1 1 42 ILE HG23 H 2.368 2.329 10.167 . . . 1.0 . . . . . . . . . . . . A . 330 ILE HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1726 . 1 1 42 ILE N N 2.900 6.270 9.498 . . . 1.0 . . . . . . . . . . . . A . 330 ILE N . . . . . . . . . c16510_2ke1 1 . 2 . 1727 . 1 1 42 ILE O O 1.164 4.506 11.138 . . . 1.0 . . . . . . . . . . . . A . 330 ILE O . . . . . . . . . c16510_2ke1 1 . 2 . 1728 . 1 1 43 PRO C C -0.904 2.380 10.522 . . . 1.0 . . . . . . . . . . . . A . 331 PRO C . . . . . . . . . c16510_2ke1 1 . 2 . 1729 . 1 1 43 PRO CA C -1.079 3.633 9.675 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CA . . . . . . . . . c16510_2ke1 1 . 2 . 1730 . 1 1 43 PRO CB C -1.923 3.308 8.442 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CB . . . . . . . . . c16510_2ke1 1 . 2 . 1731 . 1 1 43 PRO CD C 0.198 4.161 7.666 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CD . . . . . . . . . c16510_2ke1 1 . 2 . 1732 . 1 1 43 PRO CG C -0.998 3.345 7.269 . . . 1.0 . . . . . . . . . . . . A . 331 PRO CG . . . . . . . . . c16510_2ke1 1 . 2 . 1733 . 1 1 43 PRO HA H -1.575 4.392 10.260 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HA . . . . . . . . . c16510_2ke1 1 . 2 . 1734 . 1 1 43 PRO HB2 H -2.355 2.325 8.560 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1735 . 1 1 43 PRO HB3 H -2.709 4.037 8.347 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1736 . 1 1 43 PRO HD2 H 1.100 3.710 7.277 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1737 . 1 1 43 PRO HD3 H 0.106 5.174 7.306 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1738 . 1 1 43 PRO HG2 H -0.691 2.342 7.015 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1739 . 1 1 43 PRO HG3 H -1.498 3.803 6.428 . . . 1.0 . . . . . . . . . . . . A . 331 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1740 . 1 1 43 PRO N N 0.191 4.120 9.134 . . . 1.0 . . . . . . . . . . . . A . 331 PRO N . . . . . . . . . c16510_2ke1 1 . 2 . 1741 . 1 1 43 PRO O O -0.182 1.450 10.145 . . . 1.0 . . . . . . . . . . . . A . 331 PRO O . . . . . . . . . c16510_2ke1 1 . 2 . 1742 . 1 1 44 SER C C -2.486 0.142 12.324 . . . 1.0 . . . . . . . . . . . . A . 332 SER C . . . . . . . . . c16510_2ke1 1 . 2 . 1743 . 1 1 44 SER CA C -1.458 1.239 12.587 . . . 1.0 . . . . . . . . . . . . A . 332 SER CA . . . . . . . . . c16510_2ke1 1 . 2 . 1744 . 1 1 44 SER CB C -1.585 1.763 14.018 . . . 1.0 . . . . . . . . . . . . A . 332 SER CB . . . . . . . . . c16510_2ke1 1 . 2 . 1745 . 1 1 44 SER H H -2.281 3.028 11.815 . . . 1.0 . . . . . . . . . . . . A . 332 SER H . . . . . . . . . c16510_2ke1 1 . 2 . 1746 . 1 1 44 SER HA H -0.470 0.824 12.454 . . . 1.0 . . . . . . . . . . . . A . 332 SER HA . . . . . . . . . c16510_2ke1 1 . 2 . 1747 . 1 1 44 SER HB2 H -2.571 2.182 14.161 . . . 1.0 . . . . . . . . . . . . A . 332 SER HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1748 . 1 1 44 SER HB3 H -1.434 0.950 14.713 . . . 1.0 . . . . . . . . . . . . A . 332 SER HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1749 . 1 1 44 SER HG H -0.865 3.578 13.796 . . . 1.0 . . . . . . . . . . . . A . 332 SER HG . . . . . . . . . c16510_2ke1 1 . 2 . 1750 . 1 1 44 SER N N -1.611 2.329 11.637 . . . 1.0 . . . . . . . . . . . . A . 332 SER N . . . . . . . . . c16510_2ke1 1 . 2 . 1751 . 1 1 44 SER O O -3.245 -0.252 13.210 . . . 1.0 . . . . . . . . . . . . A . 332 SER O . . . . . . . . . c16510_2ke1 1 . 2 . 1752 . 1 1 44 SER OG O -0.618 2.770 14.272 . . . 1.0 . . . . . . . . . . . . A . 332 SER OG . . . . . . . . . c16510_2ke1 1 . 2 . 1753 . 1 1 45 GLY C C -3.162 -1.854 9.301 . . . 1.0 . . . . . . . . . . . . A . 333 GLY C . . . . . . . . . c16510_2ke1 1 . 2 . 1754 . 1 1 45 GLY CA C -3.392 -1.415 10.723 . . . 1.0 . . . . . . . . . . . . A . 333 GLY CA . . . . . . . . . c16510_2ke1 1 . 2 . 1755 . 1 1 45 GLY H H -1.928 0.072 10.414 . . . 1.0 . . . . . . . . . . . . A . 333 GLY H . . . . . . . . . c16510_2ke1 1 . 2 . 1756 . 1 1 45 GLY HA2 H -3.220 -2.253 11.383 . . . 1.0 . . . . . . . . . . . . A . 333 GLY HA2 . . . . . . . . . c16510_2ke1 1 . 2 . 1757 . 1 1 45 GLY HA3 H -4.417 -1.091 10.824 . . . 1.0 . . . . . . . . . . . . A . 333 GLY HA3 . . . . . . . . . c16510_2ke1 1 . 2 . 1758 . 1 1 45 GLY N N -2.512 -0.330 11.091 . . . 1.0 . . . . . . . . . . . . A . 333 GLY N . . . . . . . . . c16510_2ke1 1 . 2 . 1759 . 1 1 45 GLY O O -2.177 -1.449 8.676 . . . 1.0 . . . . . . . . . . . . A . 333 GLY O . . . . . . . . . c16510_2ke1 1 . 2 . 1760 . 1 1 46 THR C C -4.176 -1.979 6.447 . . . 1.0 . . . . . . . . . . . . A . 334 THR C . . . . . . . . . c16510_2ke1 1 . 2 . 1761 . 1 1 46 THR CA C -3.991 -3.135 7.416 . . . 1.0 . . . . . . . . . . . . A . 334 THR CA . . . . . . . . . c16510_2ke1 1 . 2 . 1762 . 1 1 46 THR CB C -5.046 -4.216 7.135 . . . 1.0 . . . . . . . . . . . . A . 334 THR CB . . . . . . . . . c16510_2ke1 1 . 2 . 1763 . 1 1 46 THR CG2 C -4.585 -5.569 7.649 . . . 1.0 . . . . . . . . . . . . A . 334 THR CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1764 . 1 1 46 THR H H -4.809 -2.975 9.362 . . . 1.0 . . . . . . . . . . . . A . 334 THR H . . . . . . . . . c16510_2ke1 1 . 2 . 1765 . 1 1 46 THR HA H -3.012 -3.567 7.264 . . . 1.0 . . . . . . . . . . . . A . 334 THR HA . . . . . . . . . c16510_2ke1 1 . 2 . 1766 . 1 1 46 THR HB H -5.190 -4.287 6.067 . . . 1.0 . . . . . . . . . . . . A . 334 THR HB . . . . . . . . . c16510_2ke1 1 . 2 . 1767 . 1 1 46 THR HG1 H -6.515 -2.947 7.508 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1768 . 1 1 46 THR HG21 H -4.355 -5.496 8.702 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1769 . 1 1 46 THR HG22 H -3.702 -5.876 7.104 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1770 . 1 1 46 THR HG23 H -5.370 -6.296 7.502 . . . 1.0 . . . . . . . . . . . . A . 334 THR HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1771 . 1 1 46 THR N N -4.069 -2.667 8.789 . . . 1.0 . . . . . . . . . . . . A . 334 THR N . . . . . . . . . c16510_2ke1 1 . 2 . 1772 . 1 1 46 THR O O -5.252 -1.383 6.370 . . . 1.0 . . . . . . . . . . . . A . 334 THR O . . . . . . . . . c16510_2ke1 1 . 2 . 1773 . 1 1 46 THR OG1 O -6.293 -3.856 7.747 . . . 1.0 . . . . . . . . . . . . A . 334 THR OG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1774 . 1 1 47 TRP C C -3.581 -1.080 3.408 . . . 1.0 . . . . . . . . . . . . A . 335 TRP C . . . . . . . . . c16510_2ke1 1 . 2 . 1775 . 1 1 47 TRP CA C -3.149 -0.566 4.777 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CA . . . . . . . . . c16510_2ke1 1 . 2 . 1776 . 1 1 47 TRP CB C -1.778 0.113 4.697 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CB . . . . . . . . . c16510_2ke1 1 . 2 . 1777 . 1 1 47 TRP CD1 C -2.187 2.567 4.114 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1778 . 1 1 47 TRP CD2 C -1.330 1.353 2.444 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1779 . 1 1 47 TRP CE2 C -1.516 2.671 1.989 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1780 . 1 1 47 TRP CE3 C -0.799 0.408 1.572 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CE3 . . . . . . . . . c16510_2ke1 1 . 2 . 1781 . 1 1 47 TRP CG C -1.769 1.309 3.802 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CG . . . . . . . . . c16510_2ke1 1 . 2 . 1782 . 1 1 47 TRP CH2 C -0.673 2.111 -0.140 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CH2 . . . . . . . . . c16510_2ke1 1 . 2 . 1783 . 1 1 47 TRP CZ2 C -1.188 3.061 0.694 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CZ2 . . . . . . . . . c16510_2ke1 1 . 2 . 1784 . 1 1 47 TRP CZ3 C -0.476 0.794 0.290 . . . 1.0 . . . . . . . . . . . . A . 335 TRP CZ3 . . . . . . . . . c16510_2ke1 1 . 2 . 1785 . 1 1 47 TRP H H -2.305 -2.198 5.817 . . . 1.0 . . . . . . . . . . . . A . 335 TRP H . . . . . . . . . c16510_2ke1 1 . 2 . 1786 . 1 1 47 TRP HA H -3.878 0.150 5.127 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HA . . . . . . . . . c16510_2ke1 1 . 2 . 1787 . 1 1 47 TRP HB2 H -1.481 0.433 5.685 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1788 . 1 1 47 TRP HB3 H -1.053 -0.594 4.320 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1789 . 1 1 47 TRP HD1 H -2.576 2.855 5.081 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1790 . 1 1 47 TRP HE1 H -2.277 4.345 3.002 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1791 . 1 1 47 TRP HE3 H -0.643 -0.613 1.885 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HE3 . . . . . . . . . c16510_2ke1 1 . 2 . 1792 . 1 1 47 TRP HH2 H -0.406 2.367 -1.155 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HH2 . . . . . . . . . c16510_2ke1 1 . 2 . 1793 . 1 1 47 TRP HZ2 H -1.339 4.072 0.345 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HZ2 . . . . . . . . . c16510_2ke1 1 . 2 . 1794 . 1 1 47 TRP HZ3 H -0.067 0.073 -0.402 . . . 1.0 . . . . . . . . . . . . A . 335 TRP HZ3 . . . . . . . . . c16510_2ke1 1 . 2 . 1795 . 1 1 47 TRP N N -3.119 -1.664 5.724 . . . 1.0 . . . . . . . . . . . . A . 335 TRP N . . . . . . . . . c16510_2ke1 1 . 2 . 1796 . 1 1 47 TRP NE1 N -2.040 3.394 3.029 . . . 1.0 . . . . . . . . . . . . A . 335 TRP NE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1797 . 1 1 47 TRP O O -3.296 -2.224 3.053 . . . 1.0 . . . . . . . . . . . . A . 335 TRP O . . . . . . . . . c16510_2ke1 1 . 2 . 1798 . 1 1 48 ARG C C -4.415 0.407 0.290 . . . 1.0 . . . . . . . . . . . . A . 336 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 1799 . 1 1 48 ARG CA C -4.790 -0.623 1.347 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 1800 . 1 1 48 ARG CB C -6.305 -0.788 1.428 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 1801 . 1 1 48 ARG CD C -8.175 -2.030 2.561 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 1802 . 1 1 48 ARG CG C -6.707 -2.027 2.196 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 1803 . 1 1 48 ARG CZ C -9.078 -3.113 4.594 . . . 1.0 . . . . . . . . . . . . A . 336 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 1804 . 1 1 48 ARG H H -4.416 0.681 2.964 . . . 1.0 . . . . . . . . . . . . A . 336 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 1805 . 1 1 48 ARG HA H -4.353 -1.574 1.083 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 1806 . 1 1 48 ARG HB2 H -6.730 0.076 1.922 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1807 . 1 1 48 ARG HB3 H -6.707 -0.860 0.428 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1808 . 1 1 48 ARG HD2 H -8.404 -1.124 3.106 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1809 . 1 1 48 ARG HD3 H -8.756 -2.063 1.652 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 1810 . 1 1 48 ARG HE H -8.239 -4.078 3.045 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 1811 . 1 1 48 ARG HG2 H -6.500 -2.895 1.587 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1812 . 1 1 48 ARG HG3 H -6.123 -2.078 3.097 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1813 . 1 1 48 ARG HH11 H -9.426 -1.110 4.507 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 1814 . 1 1 48 ARG HH12 H -9.941 -1.896 5.967 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 1815 . 1 1 48 ARG HH21 H -8.902 -5.095 4.995 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 1816 . 1 1 48 ARG HH22 H -9.662 -4.145 6.237 . . . 1.0 . . . . . . . . . . . . A . 336 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 1817 . 1 1 48 ARG N N -4.268 -0.236 2.649 . . . 1.0 . . . . . . . . . . . . A . 336 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 1818 . 1 1 48 ARG NE N -8.504 -3.190 3.391 . . . 1.0 . . . . . . . . . . . . A . 336 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 1819 . 1 1 48 ARG NH1 N -9.518 -1.948 5.059 . . . 1.0 . . . . . . . . . . . . A . 336 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 1820 . 1 1 48 ARG NH2 N -9.227 -4.205 5.332 . . . 1.0 . . . . . . . . . . . . A . 336 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 1821 . 1 1 48 ARG O O -4.620 1.603 0.482 . . . 1.0 . . . . . . . . . . . . A . 336 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 1822 . 1 1 49 CYS C C -4.670 1.335 -2.661 . . . 1.0 . . . . . . . . . . . . A . 337 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1823 . 1 1 49 CYS CA C -3.451 0.813 -1.909 . . . 1.0 . . . . . . . . . . . . A . 337 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1824 . 1 1 49 CYS CB C -2.520 0.065 -2.864 . . . 1.0 . . . . . . . . . . . . A . 337 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1825 . 1 1 49 CYS H H -3.717 -1.033 -0.907 . . . 1.0 . . . . . . . . . . . . A . 337 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1826 . 1 1 49 CYS HA H -2.916 1.652 -1.487 . . . 1.0 . . . . . . . . . . . . A . 337 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1827 . 1 1 49 CYS HB2 H -2.276 0.707 -3.698 . . . 1.0 . . . . . . . . . . . . A . 337 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1828 . 1 1 49 CYS HB3 H -1.611 -0.189 -2.339 . . . 1.0 . . . . . . . . . . . . A . 337 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1829 . 1 1 49 CYS N N -3.856 -0.066 -0.818 . . . 1.0 . . . . . . . . . . . . A . 337 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1830 . 1 1 49 CYS O O -5.794 0.889 -2.407 . . . 1.0 . . . . . . . . . . . . A . 337 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1831 . 1 1 49 CYS SG S -3.223 -1.475 -3.539 . . . 1.0 . . . . . . . . . . . . A . 337 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1832 . 1 1 50 SER C C -6.394 1.767 -5.014 . . . 1.0 . . . . . . . . . . . . A . 338 SER C . . . . . . . . . c16510_2ke1 1 . 2 . 1833 . 1 1 50 SER CA C -5.530 2.853 -4.367 . . . 1.0 . . . . . . . . . . . . A . 338 SER CA . . . . . . . . . c16510_2ke1 1 . 2 . 1834 . 1 1 50 SER CB C -4.933 3.764 -5.439 . . . 1.0 . . . . . . . . . . . . A . 338 SER CB . . . . . . . . . c16510_2ke1 1 . 2 . 1835 . 1 1 50 SER H H -3.537 2.585 -3.733 . . . 1.0 . . . . . . . . . . . . A . 338 SER H . . . . . . . . . c16510_2ke1 1 . 2 . 1836 . 1 1 50 SER HA H -6.143 3.443 -3.701 . . . 1.0 . . . . . . . . . . . . A . 338 SER HA . . . . . . . . . c16510_2ke1 1 . 2 . 1837 . 1 1 50 SER HB2 H -4.509 3.161 -6.229 . . . 1.0 . . . . . . . . . . . . A . 338 SER HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1838 . 1 1 50 SER HB3 H -5.709 4.396 -5.846 . . . 1.0 . . . . . . . . . . . . A . 338 SER HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1839 . 1 1 50 SER HG H -3.544 5.153 -5.581 . . . 1.0 . . . . . . . . . . . . A . 338 SER HG . . . . . . . . . c16510_2ke1 1 . 2 . 1840 . 1 1 50 SER N N -4.450 2.265 -3.583 . . . 1.0 . . . . . . . . . . . . A . 338 SER N . . . . . . . . . c16510_2ke1 1 . 2 . 1841 . 1 1 50 SER O O -7.626 1.842 -4.993 . . . 1.0 . . . . . . . . . . . . A . 338 SER O . . . . . . . . . c16510_2ke1 1 . 2 . 1842 . 1 1 50 SER OG O -3.912 4.585 -4.890 . . . 1.0 . . . . . . . . . . . . A . 338 SER OG . . . . . . . . . c16510_2ke1 1 . 2 . 1843 . 1 1 51 SER C C -7.428 -1.026 -5.293 . . . 1.0 . . . . . . . . . . . . A . 339 SER C . . . . . . . . . c16510_2ke1 1 . 2 . 1844 . 1 1 51 SER CA C -6.393 -0.369 -6.211 . . . 1.0 . . . . . . . . . . . . A . 339 SER CA . . . . . . . . . c16510_2ke1 1 . 2 . 1845 . 1 1 51 SER CB C -5.340 -1.395 -6.625 . . . 1.0 . . . . . . . . . . . . A . 339 SER CB . . . . . . . . . c16510_2ke1 1 . 2 . 1846 . 1 1 51 SER H H -4.753 0.747 -5.510 . . . 1.0 . . . . . . . . . . . . A . 339 SER H . . . . . . . . . c16510_2ke1 1 . 2 . 1847 . 1 1 51 SER HA H -6.887 0.005 -7.092 . . . 1.0 . . . . . . . . . . . . A . 339 SER HA . . . . . . . . . c16510_2ke1 1 . 2 . 1848 . 1 1 51 SER HB2 H -5.078 -2.010 -5.776 . . . 1.0 . . . . . . . . . . . . A . 339 SER HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1849 . 1 1 51 SER HB3 H -5.734 -2.016 -7.415 . . . 1.0 . . . . . . . . . . . . A . 339 SER HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1850 . 1 1 51 SER HG H -4.182 -0.725 -8.067 . . . 1.0 . . . . . . . . . . . . A . 339 SER HG . . . . . . . . . c16510_2ke1 1 . 2 . 1851 . 1 1 51 SER N N -5.731 0.746 -5.549 . . . 1.0 . . . . . . . . . . . . A . 339 SER N . . . . . . . . . c16510_2ke1 1 . 2 . 1852 . 1 1 51 SER O O -8.538 -1.341 -5.717 . . . 1.0 . . . . . . . . . . . . A . 339 SER O . . . . . . . . . c16510_2ke1 1 . 2 . 1853 . 1 1 51 SER OG O -4.171 -0.745 -7.097 . . . 1.0 . . . . . . . . . . . . A . 339 SER OG . . . . . . . . . c16510_2ke1 1 . 2 . 1854 . 1 1 52 CYS C C -9.139 -0.982 -2.758 . . . 1.0 . . . . . . . . . . . . A . 340 CYS C . . . . . . . . . c16510_2ke1 1 . 2 . 1855 . 1 1 52 CYS CA C -7.920 -1.849 -3.049 . . . 1.0 . . . . . . . . . . . . A . 340 CYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 1856 . 1 1 52 CYS CB C -7.145 -2.115 -1.756 . . . 1.0 . . . . . . . . . . . . A . 340 CYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 1857 . 1 1 52 CYS H H -6.161 -0.914 -3.757 . . . 1.0 . . . . . . . . . . . . A . 340 CYS H . . . . . . . . . c16510_2ke1 1 . 2 . 1858 . 1 1 52 CYS HA H -8.253 -2.791 -3.458 . . . 1.0 . . . . . . . . . . . . A . 340 CYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 1859 . 1 1 52 CYS HB2 H -6.681 -1.197 -1.434 . . . 1.0 . . . . . . . . . . . . A . 340 CYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1860 . 1 1 52 CYS HB3 H -7.827 -2.454 -0.986 . . . 1.0 . . . . . . . . . . . . A . 340 CYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1861 . 1 1 52 CYS N N -7.050 -1.218 -4.036 . . . 1.0 . . . . . . . . . . . . A . 340 CYS N . . . . . . . . . c16510_2ke1 1 . 2 . 1862 . 1 1 52 CYS O O -10.263 -1.478 -2.676 . . . 1.0 . . . . . . . . . . . . A . 340 CYS O . . . . . . . . . c16510_2ke1 1 . 2 . 1863 . 1 1 52 CYS SG S -5.829 -3.363 -1.920 . . . 1.0 . . . . . . . . . . . . A . 340 CYS SG . . . . . . . . . c16510_2ke1 1 . 2 . 1864 . 1 1 53 LEU C C -10.945 1.451 -3.409 . . . 1.0 . . . . . . . . . . . . A . 341 LEU C . . . . . . . . . c16510_2ke1 1 . 2 . 1865 . 1 1 53 LEU CA C -9.974 1.242 -2.252 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1866 . 1 1 53 LEU CB C -9.372 2.581 -1.820 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1867 . 1 1 53 LEU CD1 C -7.790 3.871 -0.364 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CD1 . . . . . . . . . c16510_2ke1 1 . 2 . 1868 . 1 1 53 LEU CD2 C -8.950 1.853 0.546 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CD2 . . . . . . . . . c16510_2ke1 1 . 2 . 1869 . 1 1 53 LEU CG C -8.340 2.493 -0.692 . . . 1.0 . . . . . . . . . . . . A . 341 LEU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1870 . 1 1 53 LEU H H -8.014 0.670 -2.798 . . . 1.0 . . . . . . . . . . . . A . 341 LEU H . . . . . . . . . c16510_2ke1 1 . 2 . 1871 . 1 1 53 LEU HA H -10.511 0.813 -1.420 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1872 . 1 1 53 LEU HB2 H -8.898 3.032 -2.680 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1873 . 1 1 53 LEU HB3 H -10.174 3.224 -1.492 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1874 . 1 1 53 LEU HD11 H -7.310 4.283 -1.239 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD11 . . . . . . . . . c16510_2ke1 1 . 2 . 1875 . 1 1 53 LEU HD12 H -7.070 3.789 0.437 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD12 . . . . . . . . . c16510_2ke1 1 . 2 . 1876 . 1 1 53 LEU HD13 H -8.599 4.519 -0.059 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD13 . . . . . . . . . c16510_2ke1 1 . 2 . 1877 . 1 1 53 LEU HD21 H -8.212 1.820 1.334 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD21 . . . . . . . . . c16510_2ke1 1 . 2 . 1878 . 1 1 53 LEU HD22 H -9.270 0.848 0.313 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD22 . . . . . . . . . c16510_2ke1 1 . 2 . 1879 . 1 1 53 LEU HD23 H -9.798 2.436 0.870 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HD23 . . . . . . . . . c16510_2ke1 1 . 2 . 1880 . 1 1 53 LEU HG H -7.515 1.875 -1.017 . . . 1.0 . . . . . . . . . . . . A . 341 LEU HG . . . . . . . . . c16510_2ke1 1 . 2 . 1881 . 1 1 53 LEU N N -8.914 0.319 -2.626 . . . 1.0 . . . . . . . . . . . . A . 341 LEU N . . . . . . . . . c16510_2ke1 1 . 2 . 1882 . 1 1 53 LEU O O -12.159 1.566 -3.207 . . . 1.0 . . . . . . . . . . . . A . 341 LEU O . . . . . . . . . c16510_2ke1 1 . 2 . 1883 . 1 1 54 GLN C C -12.024 0.460 -6.173 . . . 1.0 . . . . . . . . . . . . A . 342 GLN C . . . . . . . . . c16510_2ke1 1 . 2 . 1884 . 1 1 54 GLN CA C -11.217 1.709 -5.809 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CA . . . . . . . . . c16510_2ke1 1 . 2 . 1885 . 1 1 54 GLN CB C -10.317 2.108 -6.979 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CB . . . . . . . . . c16510_2ke1 1 . 2 . 1886 . 1 1 54 GLN CD C -10.192 2.961 -9.356 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CD . . . . . . . . . c16510_2ke1 1 . 2 . 1887 . 1 1 54 GLN CG C -11.079 2.685 -8.157 . . . 1.0 . . . . . . . . . . . . A . 342 GLN CG . . . . . . . . . c16510_2ke1 1 . 2 . 1888 . 1 1 54 GLN H H -9.443 1.349 -4.720 . . . 1.0 . . . . . . . . . . . . A . 342 GLN H . . . . . . . . . c16510_2ke1 1 . 2 . 1889 . 1 1 54 GLN HA H -11.899 2.517 -5.597 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HA . . . . . . . . . c16510_2ke1 1 . 2 . 1890 . 1 1 54 GLN HB2 H -9.608 2.847 -6.640 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1891 . 1 1 54 GLN HB3 H -9.780 1.234 -7.320 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1892 . 1 1 54 GLN HE21 H -9.052 1.395 -8.912 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 2 . 1893 . 1 1 54 GLN HE22 H -8.588 2.289 -10.316 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 2 . 1894 . 1 1 54 GLN HG2 H -11.844 1.983 -8.447 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1895 . 1 1 54 GLN HG3 H -11.541 3.611 -7.847 . . . 1.0 . . . . . . . . . . . . A . 342 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1896 . 1 1 54 GLN N N -10.411 1.477 -4.620 . . . 1.0 . . . . . . . . . . . . A . 342 GLN N . . . . . . . . . c16510_2ke1 1 . 2 . 1897 . 1 1 54 GLN NE2 N -9.175 2.134 -9.547 . . . 1.0 . . . . . . . . . . . . A . 342 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1898 . 1 1 54 GLN O O -12.963 0.520 -6.966 . . . 1.0 . . . . . . . . . . . . A . 342 GLN O . . . . . . . . . c16510_2ke1 1 . 2 . 1899 . 1 1 54 GLN OE1 O -10.432 3.899 -10.119 . . . 1.0 . . . . . . . . . . . . A . 342 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1900 . 1 1 55 ALA C C -13.484 -2.206 -4.941 . . . 1.0 . . . . . . . . . . . . A . 343 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 1901 . 1 1 55 ALA CA C -12.327 -1.930 -5.893 . . . 1.0 . . . . . . . . . . . . A . 343 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 1902 . 1 1 55 ALA CB C -11.329 -3.074 -5.855 . . . 1.0 . . . . . . . . . . . . A . 343 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 1903 . 1 1 55 ALA H H -10.952 -0.662 -4.908 . . . 1.0 . . . . . . . . . . . . A . 343 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 1904 . 1 1 55 ALA HA H -12.713 -1.859 -6.898 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 1905 . 1 1 55 ALA HB1 H -11.812 -3.984 -6.180 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 1906 . 1 1 55 ALA HB2 H -10.966 -3.201 -4.847 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1907 . 1 1 55 ALA HB3 H -10.501 -2.850 -6.511 . . . 1.0 . . . . . . . . . . . . A . 343 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1908 . 1 1 55 ALA N N -11.667 -0.671 -5.579 . . . 1.0 . . . . . . . . . . . . A . 343 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 1909 . 1 1 55 ALA O O -14.080 -3.282 -4.971 . . . 1.0 . . . . . . . . . . . . A . 343 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 1910 . 1 1 56 THR C C -15.964 -0.306 -3.376 . . . 1.0 . . . . . . . . . . . . A . 344 THR C . . . . . . . . . c16510_2ke1 1 . 2 . 1911 . 1 1 56 THR CA C -14.902 -1.381 -3.157 . . . 1.0 . . . . . . . . . . . . A . 344 THR CA . . . . . . . . . c16510_2ke1 1 . 2 . 1912 . 1 1 56 THR CB C -14.401 -1.333 -1.699 . . . 1.0 . . . . . . . . . . . . A . 344 THR CB . . . . . . . . . c16510_2ke1 1 . 2 . 1913 . 1 1 56 THR CG2 C -13.776 -2.660 -1.294 . . . 1.0 . . . . . . . . . . . . A . 344 THR CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1914 . 1 1 56 THR H H -13.305 -0.391 -4.126 . . . 1.0 . . . . . . . . . . . . A . 344 THR H . . . . . . . . . c16510_2ke1 1 . 2 . 1915 . 1 1 56 THR HA H -15.352 -2.348 -3.329 . . . 1.0 . . . . . . . . . . . . A . 344 THR HA . . . . . . . . . c16510_2ke1 1 . 2 . 1916 . 1 1 56 THR HB H -15.245 -1.142 -1.053 . . . 1.0 . . . . . . . . . . . . A . 344 THR HB . . . . . . . . . c16510_2ke1 1 . 2 . 1917 . 1 1 56 THR HG1 H -13.492 0.333 -2.274 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1918 . 1 1 56 THR HG21 H -12.913 -2.854 -1.915 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1919 . 1 1 56 THR HG22 H -14.498 -3.452 -1.424 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1920 . 1 1 56 THR HG23 H -13.473 -2.615 -0.258 . . . 1.0 . . . . . . . . . . . . A . 344 THR HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1921 . 1 1 56 THR N N -13.807 -1.232 -4.102 . . . 1.0 . . . . . . . . . . . . A . 344 THR N . . . . . . . . . c16510_2ke1 1 . 2 . 1922 . 1 1 56 THR O O -16.491 0.272 -2.426 . . . 1.0 . . . . . . . . . . . . A . 344 THR O . . . . . . . . . c16510_2ke1 1 . 2 . 1923 . 1 1 56 THR OG1 O -13.438 -0.278 -1.531 . . . 1.0 . . . . . . . . . . . . A . 344 THR OG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1924 . 1 1 57 VAL C C -18.571 0.329 -5.417 . . . 1.0 . . . . . . . . . . . . A . 345 VAL C . . . . . . . . . c16510_2ke1 1 . 2 . 1925 . 1 1 57 VAL CA C -17.254 0.972 -4.996 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CA . . . . . . . . . c16510_2ke1 1 . 2 . 1926 . 1 1 57 VAL CB C -16.725 1.872 -6.137 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CB . . . . . . . . . c16510_2ke1 1 . 2 . 1927 . 1 1 57 VAL CG1 C -17.709 2.989 -6.462 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1928 . 1 1 57 VAL CG2 C -15.367 2.449 -5.770 . . . 1.0 . . . . . . . . . . . . A . 345 VAL CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1929 . 1 1 57 VAL H H -15.852 -0.580 -5.350 . . . 1.0 . . . . . . . . . . . . A . 345 VAL H . . . . . . . . . c16510_2ke1 1 . 2 . 1930 . 1 1 57 VAL HA H -17.425 1.590 -4.126 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HA . . . . . . . . . c16510_2ke1 1 . 2 . 1931 . 1 1 57 VAL HB H -16.604 1.262 -7.019 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HB . . . . . . . . . c16510_2ke1 1 . 2 . 1932 . 1 1 57 VAL HG11 H -18.648 2.559 -6.778 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG11 . . . . . . . . . c16510_2ke1 1 . 2 . 1933 . 1 1 57 VAL HG12 H -17.308 3.603 -7.254 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG12 . . . . . . . . . c16510_2ke1 1 . 2 . 1934 . 1 1 57 VAL HG13 H -17.870 3.594 -5.582 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG13 . . . . . . . . . c16510_2ke1 1 . 2 . 1935 . 1 1 57 VAL HG21 H -14.663 1.643 -5.619 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1936 . 1 1 57 VAL HG22 H -15.456 3.023 -4.860 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1937 . 1 1 57 VAL HG23 H -15.021 3.088 -6.568 . . . 1.0 . . . . . . . . . . . . A . 345 VAL HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1938 . 1 1 57 VAL N N -16.279 -0.053 -4.638 . . . 1.0 . . . . . . . . . . . . A . 345 VAL N . . . . . . . . . c16510_2ke1 1 . 2 . 1939 . 1 1 57 VAL O O -19.639 0.925 -5.290 . . . 1.0 . . . . . . . . . . . . A . 345 VAL O . . . . . . . . . c16510_2ke1 1 . 2 . 1940 . 1 1 58 GLN C C -20.647 -1.864 -5.269 . . . 1.0 . . . . . . . . . . . . A . 346 GLN C . . . . . . . . . c16510_2ke1 1 . 2 . 1941 . 1 1 58 GLN CA C -19.638 -1.640 -6.391 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CA . . . . . . . . . c16510_2ke1 1 . 2 . 1942 . 1 1 58 GLN CB C -19.224 -3.005 -6.961 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CB . . . . . . . . . c16510_2ke1 1 . 2 . 1943 . 1 1 58 GLN CD C -16.701 -2.937 -7.208 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CD . . . . . . . . . c16510_2ke1 1 . 2 . 1944 . 1 1 58 GLN CG C -18.042 -2.971 -7.923 . . . 1.0 . . . . . . . . . . . . A . 346 GLN CG . . . . . . . . . c16510_2ke1 1 . 2 . 1945 . 1 1 58 GLN H H -17.596 -1.328 -5.943 . . . 1.0 . . . . . . . . . . . . A . 346 GLN H . . . . . . . . . c16510_2ke1 1 . 2 . 1946 . 1 1 58 GLN HA H -20.103 -1.058 -7.172 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HA . . . . . . . . . c16510_2ke1 1 . 2 . 1947 . 1 1 58 GLN HB2 H -18.967 -3.656 -6.138 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1948 . 1 1 58 GLN HB3 H -20.069 -3.429 -7.483 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1949 . 1 1 58 GLN HE21 H -16.688 -4.921 -7.100 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 2 . 1950 . 1 1 58 GLN HE22 H -15.322 -4.114 -6.397 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 2 . 1951 . 1 1 58 GLN HG2 H -18.076 -3.853 -8.546 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1952 . 1 1 58 GLN HG3 H -18.127 -2.091 -8.543 . . . 1.0 . . . . . . . . . . . . A . 346 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1953 . 1 1 58 GLN N N -18.477 -0.902 -5.905 . . . 1.0 . . . . . . . . . . . . A . 346 GLN N . . . . . . . . . c16510_2ke1 1 . 2 . 1954 . 1 1 58 GLN NE2 N -16.182 -4.105 -6.872 . . . 1.0 . . . . . . . . . . . . A . 346 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1955 . 1 1 58 GLN O O -20.270 -2.108 -4.122 . . . 1.0 . . . . . . . . . . . . A . 346 GLN O . . . . . . . . . c16510_2ke1 1 . 2 . 1956 . 1 1 58 GLN OE1 O -16.144 -1.870 -6.941 . . . 1.0 . . . . . . . . . . . . A . 346 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1957 . 1 1 59 GLU C C -22.922 -3.488 -4.173 . . . 1.0 . . . . . . . . . . . . A . 347 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 1958 . 1 1 59 GLU CA C -22.994 -2.045 -4.652 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 1959 . 1 1 59 GLU CB C -24.370 -1.783 -5.271 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 1960 . 1 1 59 GLU CD C -23.847 0.596 -5.982 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 1961 . 1 1 59 GLU CG C -24.804 -0.324 -5.253 . . . 1.0 . . . . . . . . . . . . A . 347 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 1962 . 1 1 59 GLU H H -22.166 -1.494 -6.518 . . . 1.0 . . . . . . . . . . . . A . 347 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 1963 . 1 1 59 GLU HA H -22.861 -1.391 -3.804 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 1964 . 1 1 59 GLU HB2 H -24.355 -2.116 -6.298 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1965 . 1 1 59 GLU HB3 H -25.107 -2.360 -4.731 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1966 . 1 1 59 GLU HG2 H -25.774 -0.247 -5.719 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1967 . 1 1 59 GLU HG3 H -24.875 -0.002 -4.224 . . . 1.0 . . . . . . . . . . . . A . 347 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 1968 . 1 1 59 GLU N N -21.929 -1.769 -5.606 . . . 1.0 . . . . . . . . . . . . A . 347 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 1969 . 1 1 59 GLU O O -22.944 -4.426 -4.976 . . . 1.0 . . . . . . . . . . . . A . 347 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 1970 . 1 1 59 GLU OE1 O -23.600 0.377 -7.185 . . . 1.0 . . . . . . . . . . . . A . 347 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 1971 . 1 1 59 GLU OE2 O -23.354 1.556 -5.359 . . . 1.0 . . . . . . . . . . . . A . 347 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 1972 . 1 1 60 VAL C C -24.213 -5.443 -1.975 . . . 1.0 . . . . . . . . . . . . A . 348 VAL C . . . . . . . . . c16510_2ke1 1 . 2 . 1973 . 1 1 60 VAL CA C -22.798 -4.986 -2.267 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CA . . . . . . . . . c16510_2ke1 1 . 2 . 1974 . 1 1 60 VAL CB C -21.951 -5.015 -0.978 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CB . . . . . . . . . c16510_2ke1 1 . 2 . 1975 . 1 1 60 VAL CG1 C -21.787 -6.438 -0.458 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CG1 . . . . . . . . . c16510_2ke1 1 . 2 . 1976 . 1 1 60 VAL CG2 C -20.591 -4.375 -1.217 . . . 1.0 . . . . . . . . . . . . A . 348 VAL CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 1977 . 1 1 60 VAL H H -22.824 -2.864 -2.281 . . . 1.0 . . . . . . . . . . . . A . 348 VAL H . . . . . . . . . c16510_2ke1 1 . 2 . 1978 . 1 1 60 VAL HA H -22.368 -5.650 -2.977 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HA . . . . . . . . . c16510_2ke1 1 . 2 . 1979 . 1 1 60 VAL HB H -22.468 -4.443 -0.231 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HB . . . . . . . . . c16510_2ke1 1 . 2 . 1980 . 1 1 60 VAL HG11 H -22.761 -6.862 -0.256 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG11 . . . . . . . . . c16510_2ke1 1 . 2 . 1981 . 1 1 60 VAL HG12 H -21.203 -6.426 0.449 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG12 . . . . . . . . . c16510_2ke1 1 . 2 . 1982 . 1 1 60 VAL HG13 H -21.281 -7.036 -1.202 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG13 . . . . . . . . . c16510_2ke1 1 . 2 . 1983 . 1 1 60 VAL HG21 H -20.723 -3.340 -1.496 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 1984 . 1 1 60 VAL HG22 H -20.081 -4.899 -2.013 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 1985 . 1 1 60 VAL HG23 H -20.002 -4.433 -0.315 . . . 1.0 . . . . . . . . . . . . A . 348 VAL HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 1986 . 1 1 60 VAL N N -22.838 -3.659 -2.863 . . . 1.0 . . . . . . . . . . . . A . 348 VAL N . . . . . . . . . c16510_2ke1 1 . 2 . 1987 . 1 1 60 VAL O O -24.498 -6.628 -1.803 . . . 1.0 . . . . . . . . . . . . A . 348 VAL O . . . . . . . . . c16510_2ke1 1 . 2 . 1988 . 1 1 61 GLN C C -27.165 -4.933 -3.153 . . . 1.0 . . . . . . . . . . . . A . 349 GLN C . . . . . . . . . c16510_2ke1 1 . 2 . 1989 . 1 1 61 GLN CA C -26.515 -4.720 -1.787 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CA . . . . . . . . . c16510_2ke1 1 . 2 . 1990 . 1 1 61 GLN CB C -27.192 -3.563 -1.039 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CB . . . . . . . . . c16510_2ke1 1 . 2 . 1991 . 1 1 61 GLN CD C -27.806 -1.110 -1.026 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CD . . . . . . . . . c16510_2ke1 1 . 2 . 1992 . 1 1 61 GLN CG C -26.944 -2.190 -1.648 . . . 1.0 . . . . . . . . . . . . A . 349 GLN CG . . . . . . . . . c16510_2ke1 1 . 2 . 1993 . 1 1 61 GLN H H -24.765 -3.560 -2.051 . . . 1.0 . . . . . . . . . . . . A . 349 GLN H . . . . . . . . . c16510_2ke1 1 . 2 . 1994 . 1 1 61 GLN HA H -26.626 -5.626 -1.207 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HA . . . . . . . . . c16510_2ke1 1 . 2 . 1995 . 1 1 61 GLN HB2 H -28.259 -3.737 -1.026 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 1996 . 1 1 61 GLN HB3 H -26.829 -3.552 -0.022 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 1997 . 1 1 61 GLN HE21 H -26.403 -0.722 0.328 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 2 . 1998 . 1 1 61 GLN HE22 H -27.842 0.231 0.437 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 2 . 1999 . 1 1 61 GLN HG2 H -25.906 -1.929 -1.502 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2000 . 1 1 61 GLN HG3 H -27.157 -2.237 -2.707 . . . 1.0 . . . . . . . . . . . . A . 349 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2001 . 1 1 61 GLN N N -25.093 -4.472 -1.949 . . . 1.0 . . . . . . . . . . . . A . 349 GLN N . . . . . . . . . c16510_2ke1 1 . 2 . 2002 . 1 1 61 GLN NE2 N -27.300 -0.470 0.016 . . . 1.0 . . . . . . . . . . . . A . 349 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 2 . 2003 . 1 1 61 GLN O O -27.113 -4.061 -4.023 . . . 1.0 . . . . . . . . . . . . A . 349 GLN O . . . . . . . . . c16510_2ke1 1 . 2 . 2004 . 1 1 61 GLN OE1 O -28.915 -0.842 -1.491 . . . 1.0 . . . . . . . . . . . . A . 349 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 2005 . 1 1 62 PRO C C -29.778 -5.753 -4.729 . . . 1.0 . . . . . . . . . . . . A . 350 PRO C . . . . . . . . . c16510_2ke1 1 . 2 . 2006 . 1 1 62 PRO CA C -28.421 -6.444 -4.629 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CA . . . . . . . . . c16510_2ke1 1 . 2 . 2007 . 1 1 62 PRO CB C -28.588 -7.960 -4.546 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CB . . . . . . . . . c16510_2ke1 1 . 2 . 2008 . 1 1 62 PRO CD C -27.786 -7.236 -2.416 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CD . . . . . . . . . c16510_2ke1 1 . 2 . 2009 . 1 1 62 PRO CG C -28.670 -8.248 -3.093 . . . 1.0 . . . . . . . . . . . . A . 350 PRO CG . . . . . . . . . c16510_2ke1 1 . 2 . 2010 . 1 1 62 PRO HA H -27.818 -6.188 -5.484 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HA . . . . . . . . . c16510_2ke1 1 . 2 . 2011 . 1 1 62 PRO HB2 H -29.491 -8.255 -5.059 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2012 . 1 1 62 PRO HB3 H -27.734 -8.445 -4.995 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2013 . 1 1 62 PRO HD2 H -28.222 -6.921 -1.480 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 2014 . 1 1 62 PRO HD3 H -26.800 -7.644 -2.258 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 2015 . 1 1 62 PRO HG2 H -29.691 -8.139 -2.757 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2016 . 1 1 62 PRO HG3 H -28.315 -9.248 -2.896 . . . 1.0 . . . . . . . . . . . . A . 350 PRO HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2017 . 1 1 62 PRO N N -27.743 -6.118 -3.375 . . . 1.0 . . . . . . . . . . . . A . 350 PRO N . . . . . . . . . c16510_2ke1 1 . 2 . 2018 . 1 1 62 PRO O O -30.250 -5.153 -3.762 . . . 1.0 . . . . . . . . . . . . A . 350 PRO O . . . . . . . . . c16510_2ke1 1 . 2 . 2019 . 1 1 63 ARG C C -32.813 -6.219 -5.813 . . . 1.0 . . . . . . . . . . . . A . 351 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 2020 . 1 1 63 ARG CA C -31.704 -5.218 -6.081 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 2021 . 1 1 63 ARG CB C -31.858 -4.637 -7.481 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 2022 . 1 1 63 ARG CD C -31.672 -2.265 -6.671 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 2023 . 1 1 63 ARG CG C -31.152 -3.309 -7.647 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 2024 . 1 1 63 ARG CZ C -33.804 -1.151 -6.126 . . . 1.0 . . . . . . . . . . . . A . 351 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 2025 . 1 1 63 ARG H H -29.995 -6.337 -6.631 . . . 1.0 . . . . . . . . . . . . A . 351 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 2026 . 1 1 63 ARG HA H -31.783 -4.412 -5.371 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 2027 . 1 1 63 ARG HB2 H -31.451 -5.333 -8.199 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2028 . 1 1 63 ARG HB3 H -32.909 -4.491 -7.687 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2029 . 1 1 63 ARG HD2 H -31.342 -2.527 -5.677 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 2030 . 1 1 63 ARG HD3 H -31.260 -1.304 -6.941 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 2031 . 1 1 63 ARG HE H -33.635 -2.910 -7.072 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 2032 . 1 1 63 ARG HG2 H -30.102 -3.456 -7.459 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2033 . 1 1 63 ARG HG3 H -31.299 -2.954 -8.655 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2034 . 1 1 63 ARG HH11 H -32.141 -0.107 -5.619 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 2035 . 1 1 63 ARG HH12 H -33.649 0.644 -5.194 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 2036 . 1 1 63 ARG HH21 H -35.645 -1.942 -6.473 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 2037 . 1 1 63 ARG HH22 H -35.632 -0.393 -5.694 . . . 1.0 . . . . . . . . . . . . A . 351 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 2038 . 1 1 63 ARG N N -30.403 -5.829 -5.894 . . . 1.0 . . . . . . . . . . . . A . 351 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 2039 . 1 1 63 ARG NE N -33.133 -2.168 -6.670 . . . 1.0 . . . . . . . . . . . . A . 351 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 2040 . 1 1 63 ARG NH1 N -33.143 -0.123 -5.606 . . . 1.0 . . . . . . . . . . . . A . 351 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 2041 . 1 1 63 ARG NH2 N -35.132 -1.165 -6.094 . . . 1.0 . . . . . . . . . . . . A . 351 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 2042 . 1 1 63 ARG O O -32.934 -7.233 -6.500 . . . 1.0 . . . . . . . . . . . . A . 351 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 2043 . 1 1 64 ALA C C -36.022 -5.939 -4.740 . . . 1.0 . . . . . . . . . . . . A . 352 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 2044 . 1 1 64 ALA CA C -34.764 -6.742 -4.477 . . . 1.0 . . . . . . . . . . . . A . 352 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 2045 . 1 1 64 ALA CB C -34.689 -7.188 -3.022 . . . 1.0 . . . . . . . . . . . . A . 352 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 2046 . 1 1 64 ALA H H -33.471 -5.086 -4.309 . . . 1.0 . . . . . . . . . . . . A . 352 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 2047 . 1 1 64 ALA HA H -34.756 -7.618 -5.112 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 2048 . 1 1 64 ALA HB1 H -34.704 -6.321 -2.378 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 2049 . 1 1 64 ALA HB2 H -33.774 -7.738 -2.859 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2050 . 1 1 64 ALA HB3 H -35.535 -7.821 -2.794 . . . 1.0 . . . . . . . . . . . . A . 352 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2051 . 1 1 64 ALA N N -33.621 -5.919 -4.816 . . . 1.0 . . . . . . . . . . . . A . 352 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 2052 . 1 1 64 ALA O O -36.345 -5.027 -3.976 . . . 1.0 . . . . . . . . . . . . A . 352 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 2053 . 1 1 65 GLU C C -37.373 -4.111 -6.789 . . . 1.0 . . . . . . . . . . . . A . 353 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 2054 . 1 1 65 GLU CA C -37.839 -5.486 -6.321 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 2055 . 1 1 65 GLU CB C -38.931 -5.362 -5.253 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 2056 . 1 1 65 GLU CD C -40.693 -6.559 -3.902 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 2057 . 1 1 65 GLU CG C -39.487 -6.701 -4.802 . . . 1.0 . . . . . . . . . . . . A . 353 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 2058 . 1 1 65 GLU H H -36.416 -7.051 -6.359 . . . 1.0 . . . . . . . . . . . . A . 353 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 2059 . 1 1 65 GLU HA H -38.247 -6.011 -7.174 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 2060 . 1 1 65 GLU HB2 H -38.520 -4.856 -4.391 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2061 . 1 1 65 GLU HB3 H -39.745 -4.775 -5.651 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2062 . 1 1 65 GLU HG2 H -39.774 -7.270 -5.674 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2063 . 1 1 65 GLU HG3 H -38.715 -7.234 -4.266 . . . 1.0 . . . . . . . . . . . . A . 353 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2064 . 1 1 65 GLU N N -36.699 -6.263 -5.841 . . . 1.0 . . . . . . . . . . . . A . 353 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 2065 . 1 1 65 GLU O O -37.269 -3.167 -6.008 . . . 1.0 . . . . . . . . . . . . A . 353 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 2066 . 1 1 65 GLU OE1 O -40.509 -6.308 -2.695 . . . 1.0 . . . . . . . . . . . . A . 353 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 2067 . 1 1 65 GLU OE2 O -41.832 -6.677 -4.395 . . . 1.0 . . . . . . . . . . . . A . 353 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 2068 . 1 1 66 GLU C C -37.673 -1.771 -8.835 . . . 1.0 . . . . . . . . . . . . A . 354 GLU C . . . . . . . . . c16510_2ke1 1 . 2 . 2069 . 1 1 66 GLU CA C -36.552 -2.783 -8.647 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CA . . . . . . . . . c16510_2ke1 1 . 2 . 2070 . 1 1 66 GLU CB C -35.855 -3.072 -9.976 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CB . . . . . . . . . c16510_2ke1 1 . 2 . 2071 . 1 1 66 GLU CD C -34.105 -4.460 -11.160 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CD . . . . . . . . . c16510_2ke1 1 . 2 . 2072 . 1 1 66 GLU CG C -34.645 -3.983 -9.829 . . . 1.0 . . . . . . . . . . . . A . 354 GLU CG . . . . . . . . . c16510_2ke1 1 . 2 . 2073 . 1 1 66 GLU H H -37.214 -4.790 -8.659 . . . 1.0 . . . . . . . . . . . . A . 354 GLU H . . . . . . . . . c16510_2ke1 1 . 2 . 2074 . 1 1 66 GLU HA H -35.829 -2.374 -7.955 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HA . . . . . . . . . c16510_2ke1 1 . 2 . 2075 . 1 1 66 GLU HB2 H -36.559 -3.546 -10.644 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2076 . 1 1 66 GLU HB3 H -35.527 -2.139 -10.409 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2077 . 1 1 66 GLU HG2 H -33.864 -3.443 -9.314 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2078 . 1 1 66 GLU HG3 H -34.931 -4.844 -9.242 . . . 1.0 . . . . . . . . . . . . A . 354 GLU HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2079 . 1 1 66 GLU N N -37.070 -4.013 -8.073 . . . 1.0 . . . . . . . . . . . . A . 354 GLU N . . . . . . . . . c16510_2ke1 1 . 2 . 2080 . 1 1 66 GLU O O -38.498 -1.953 -9.754 . . . 1.0 . . . . . . . . . . . . A . 354 GLU O . . . . . . . . . c16510_2ke1 1 . 2 . 2081 . 1 1 66 GLU OXT O -37.728 -0.801 -8.057 . . . 1.0 . . . . . . . . . . . . A . 354 GLU OXT . . . . . . . . . c16510_2ke1 1 . 2 . 2082 . 1 1 66 GLU OE1 O -34.740 -5.338 -11.778 . . . 1.0 . . . . . . . . . . . . A . 354 GLU OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 2083 . 1 1 66 GLU OE2 O -33.038 -3.977 -11.588 . . . 1.0 . . . . . . . . . . . . A . 354 GLU OE2 . . . . . . . . . c16510_2ke1 1 . 2 . 2084 . 2 2 1 ALA C C 2.131 -2.235 7.508 . . . 1.0 . . . . . . . . . . . . B . 1 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 2085 . 2 2 1 ALA CA C 0.898 -1.358 7.681 . . . 1.0 . . . . . . . . . . . . B . 1 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 2086 . 2 2 1 ALA CB C 1.133 0.039 7.123 . . . 1.0 . . . . . . . . . . . . B . 1 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 2087 . 2 2 1 ALA H1 H -0.294 -0.663 9.237 . . . 1.0 . . . . . . . . . . . . B . 1 ALA H1 . . . . . . . . . c16510_2ke1 1 . 2 . 2088 . 2 2 1 ALA H2 H 1.328 -0.890 9.667 . . . 1.0 . . . . . . . . . . . . B . 1 ALA H2 . . . . . . . . . c16510_2ke1 1 . 2 . 2089 . 2 2 1 ALA H3 H 0.303 -2.227 9.482 . . . 1.0 . . . . . . . . . . . . B . 1 ALA H3 . . . . . . . . . c16510_2ke1 1 . 2 . 2090 . 2 2 1 ALA HA H 0.078 -1.805 7.140 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 2091 . 2 2 1 ALA HB1 H 1.980 0.488 7.621 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 2092 . 2 2 1 ALA HB2 H 0.253 0.649 7.293 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2093 . 2 2 1 ALA HB3 H 1.328 -0.022 6.061 . . . 1.0 . . . . . . . . . . . . B . 1 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2094 . 2 2 1 ALA N N 0.532 -1.278 9.112 . . . 1.0 . . . . . . . . . . . . B . 1 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 2095 . 2 2 1 ALA O O 2.939 -2.363 8.427 . . . 1.0 . . . . . . . . . . . . B . 1 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 2096 . 2 2 2 ARG C C 4.632 -2.986 5.712 . . . 1.0 . . . . . . . . . . . . B . 2 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 2097 . 2 2 2 ARG CA C 3.373 -3.767 6.083 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 2098 . 2 2 2 ARG CB C 2.989 -4.740 4.962 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 2099 . 2 2 2 ARG CD C 3.445 -6.906 3.758 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 2100 . 2 2 2 ARG CG C 3.849 -5.989 4.905 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 2101 . 2 2 2 ARG CZ C 1.241 -7.803 4.474 . . . 1.0 . . . . . . . . . . . . B . 2 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 2102 . 2 2 2 ARG H H 1.631 -2.660 5.615 . . . 1.0 . . . . . . . . . . . . B . 2 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 2103 . 2 2 2 ARG HA H 3.557 -4.325 6.990 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 2104 . 2 2 2 ARG HB2 H 1.962 -5.043 5.104 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2105 . 2 2 2 ARG HB3 H 3.075 -4.227 4.016 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2106 . 2 2 2 ARG HD2 H 3.819 -6.488 2.835 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 2107 . 2 2 2 ARG HD3 H 3.896 -7.871 3.922 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 2108 . 2 2 2 ARG HE H 1.555 -6.639 2.866 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 2109 . 2 2 2 ARG HG2 H 4.879 -5.694 4.763 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2110 . 2 2 2 ARG HG3 H 3.752 -6.530 5.835 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2111 . 2 2 2 ARG HH11 H 2.757 -8.277 5.733 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 2112 . 2 2 2 ARG HH12 H 1.206 -8.927 6.166 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 2113 . 2 2 2 ARG HH21 H -0.475 -7.506 3.439 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 2114 . 2 2 2 ARG HH22 H -0.629 -8.484 4.863 . . . 1.0 . . . . . . . . . . . . B . 2 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 2115 . 2 2 2 ARG N N 2.273 -2.844 6.335 . . . 1.0 . . . . . . . . . . . . B . 2 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 2116 . 2 2 2 ARG NE N 1.993 -7.075 3.640 . . . 1.0 . . . . . . . . . . . . B . 2 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 2117 . 2 2 2 ARG NH1 N 1.781 -8.380 5.541 . . . 1.0 . . . . . . . . . . . . B . 2 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 2118 . 2 2 2 ARG NH2 N -0.057 -7.942 4.242 . . . 1.0 . . . . . . . . . . . . B . 2 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 2119 . 2 2 2 ARG O O 5.049 -2.965 4.557 . . . 1.0 . . . . . . . . . . . . B . 2 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 2120 . 2 2 3 THR C C 7.653 -2.177 6.242 . . . 1.0 . . . . . . . . . . . . B . 3 THR C . . . . . . . . . c16510_2ke1 1 . 2 . 2121 . 2 2 3 THR CA C 6.341 -1.433 6.460 . . . 1.0 . . . . . . . . . . . . B . 3 THR CA . . . . . . . . . c16510_2ke1 1 . 2 . 2122 . 2 2 3 THR CB C 6.502 -0.452 7.631 . . . 1.0 . . . . . . . . . . . . B . 3 THR CB . . . . . . . . . c16510_2ke1 1 . 2 . 2123 . 2 2 3 THR CG2 C 5.454 0.642 7.555 . . . 1.0 . . . . . . . . . . . . B . 3 THR CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2124 . 2 2 3 THR H H 4.898 -2.451 7.617 . . . 1.0 . . . . . . . . . . . . B . 3 THR H . . . . . . . . . c16510_2ke1 1 . 2 . 2125 . 2 2 3 THR HA H 6.119 -0.857 5.574 . . . 1.0 . . . . . . . . . . . . B . 3 THR HA . . . . . . . . . c16510_2ke1 1 . 2 . 2126 . 2 2 3 THR HB H 7.481 0.002 7.571 . . . 1.0 . . . . . . . . . . . . B . 3 THR HB . . . . . . . . . c16510_2ke1 1 . 2 . 2127 . 2 2 3 THR HG1 H 7.052 -1.845 8.919 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG1 . . . . . . . . . c16510_2ke1 1 . 2 . 2128 . 2 2 3 THR HG21 H 5.566 1.311 8.396 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 2129 . 2 2 3 THR HG22 H 4.468 0.200 7.575 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 2130 . 2 2 3 THR HG23 H 5.580 1.197 6.637 . . . 1.0 . . . . . . . . . . . . B . 3 THR HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 2131 . 2 2 3 THR N N 5.221 -2.330 6.697 . . . 1.0 . . . . . . . . . . . . B . 3 THR N . . . . . . . . . c16510_2ke1 1 . 2 . 2132 . 2 2 3 THR O O 7.857 -3.273 6.766 . . . 1.0 . . . . . . . . . . . . B . 3 THR O . . . . . . . . . c16510_2ke1 1 . 2 . 2133 . 2 2 3 THR OG1 O 6.383 -1.153 8.876 . . . 1.0 . . . . . . . . . . . . B . 3 THR OG1 . . . . . . . . . c16510_2ke1 1 . 2 . 2134 . 2 2 4 LYS C C 10.879 -0.987 5.208 . . . 1.0 . . . . . . . . . . . . B . 4 LYS C . . . . . . . . . c16510_2ke1 1 . 2 . 2135 . 2 2 4 LYS CA C 9.858 -2.112 5.200 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 2136 . 2 2 4 LYS CB C 9.913 -2.816 3.842 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 2137 . 2 2 4 LYS CD C 8.983 -4.547 2.287 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CD . . . . . . . . . c16510_2ke1 1 . 2 . 2138 . 2 2 4 LYS CE C 10.281 -5.334 2.172 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CE . . . . . . . . . c16510_2ke1 1 . 2 . 2139 . 2 2 4 LYS CG C 8.846 -3.875 3.641 . . . 1.0 . . . . . . . . . . . . B . 4 LYS CG . . . . . . . . . c16510_2ke1 1 . 2 . 2140 . 2 2 4 LYS H H 8.289 -0.704 5.048 . . . 1.0 . . . . . . . . . . . . B . 4 LYS H . . . . . . . . . c16510_2ke1 1 . 2 . 2141 . 2 2 4 LYS HA H 10.096 -2.816 5.981 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 2142 . 2 2 4 LYS HB2 H 9.802 -2.077 3.065 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2143 . 2 2 4 LYS HB3 H 10.880 -3.286 3.737 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2144 . 2 2 4 LYS HD2 H 8.151 -5.224 2.147 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 2145 . 2 2 4 LYS HD3 H 8.963 -3.788 1.518 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 2146 . 2 2 4 LYS HE2 H 11.110 -4.644 2.178 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HE2 . . . . . . . . . c16510_2ke1 1 . 2 . 2147 . 2 2 4 LYS HE3 H 10.363 -6.004 3.018 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HE3 . . . . . . . . . c16510_2ke1 1 . 2 . 2148 . 2 2 4 LYS HG2 H 8.940 -4.622 4.415 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2149 . 2 2 4 LYS HG3 H 7.871 -3.409 3.704 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2150 . 2 2 4 LYS HZ1 H 10.028 -5.546 0.115 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HZ1 . . . . . . . . . c16510_2ke1 1 . 2 . 2151 . 2 2 4 LYS HZ2 H 9.707 -6.960 0.990 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HZ2 . . . . . . . . . c16510_2ke1 1 . 2 . 2152 . 2 2 4 LYS HZ3 H 11.309 -6.458 0.742 . . . 1.0 . . . . . . . . . . . . B . 4 LYS HZ3 . . . . . . . . . c16510_2ke1 1 . 2 . 2153 . 2 2 4 LYS N N 8.534 -1.566 5.459 . . . 1.0 . . . . . . . . . . . . B . 4 LYS N . . . . . . . . . c16510_2ke1 1 . 2 . 2154 . 2 2 4 LYS NZ N 10.332 -6.129 0.920 . . . 1.0 . . . . . . . . . . . . B . 4 LYS NZ . . . . . . . . . c16510_2ke1 1 . 2 . 2155 . 2 2 4 LYS O O 10.529 0.177 5.011 . . . 1.0 . . . . . . . . . . . . B . 4 LYS O . . . . . . . . . c16510_2ke1 1 . 2 . 2156 . 2 2 5 GLN C C 14.349 -0.965 4.548 . . . 1.0 . . . . . . . . . . . . B . 5 GLN C . . . . . . . . . c16510_2ke1 1 . 2 . 2157 . 2 2 5 GLN CA C 13.212 -0.371 5.366 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CA . . . . . . . . . c16510_2ke1 1 . 2 . 2158 . 2 2 5 GLN CB C 13.688 0.013 6.768 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CB . . . . . . . . . c16510_2ke1 1 . 2 . 2159 . 2 2 5 GLN CD C 14.917 1.702 8.189 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CD . . . . . . . . . c16510_2ke1 1 . 2 . 2160 . 2 2 5 GLN CG C 14.492 1.304 6.792 . . . 1.0 . . . . . . . . . . . . B . 5 GLN CG . . . . . . . . . c16510_2ke1 1 . 2 . 2161 . 2 2 5 GLN H H 12.339 -2.277 5.641 . . . 1.0 . . . . . . . . . . . . B . 5 GLN H . . . . . . . . . c16510_2ke1 1 . 2 . 2162 . 2 2 5 GLN HA H 12.841 0.508 4.859 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HA . . . . . . . . . c16510_2ke1 1 . 2 . 2163 . 2 2 5 GLN HB2 H 12.827 0.137 7.410 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2164 . 2 2 5 GLN HB3 H 14.307 -0.782 7.157 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2165 . 2 2 5 GLN HE21 H 16.494 2.657 7.455 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HE21 . . . . . . . . . c16510_2ke1 1 . 2 . 2166 . 2 2 5 GLN HE22 H 16.329 2.686 9.179 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HE22 . . . . . . . . . c16510_2ke1 1 . 2 . 2167 . 2 2 5 GLN HG2 H 15.380 1.171 6.189 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2168 . 2 2 5 GLN HG3 H 13.889 2.093 6.374 . . . 1.0 . . . . . . . . . . . . B . 5 GLN HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2169 . 2 2 5 GLN N N 12.132 -1.336 5.432 . . . 1.0 . . . . . . . . . . . . B . 5 GLN N . . . . . . . . . c16510_2ke1 1 . 2 . 2170 . 2 2 5 GLN NE2 N 16.020 2.422 8.284 . . . 1.0 . . . . . . . . . . . . B . 5 GLN NE2 . . . . . . . . . c16510_2ke1 1 . 2 . 2171 . 2 2 5 GLN O O 15.340 -1.454 5.089 . . . 1.0 . . . . . . . . . . . . B . 5 GLN O . . . . . . . . . c16510_2ke1 1 . 2 . 2172 . 2 2 5 GLN OE1 O 14.243 1.393 9.173 . . . 1.0 . . . . . . . . . . . . B . 5 GLN OE1 . . . . . . . . . c16510_2ke1 1 . 2 . 2173 . 2 2 6 THR C C 16.182 -0.583 1.860 . . . 1.0 . . . . . . . . . . . . B . 6 THR C . . . . . . . . . c16510_2ke1 1 . 2 . 2174 . 2 2 6 THR CA C 15.121 -1.572 2.330 . . . 1.0 . . . . . . . . . . . . B . 6 THR CA . . . . . . . . . c16510_2ke1 1 . 2 . 2175 . 2 2 6 THR CB C 14.380 -2.152 1.108 . . . 1.0 . . . . . . . . . . . . B . 6 THR CB . . . . . . . . . c16510_2ke1 1 . 2 . 2176 . 2 2 6 THR CG2 C 13.455 -3.282 1.526 . . . 1.0 . . . . . . . . . . . . B . 6 THR CG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2177 . 2 2 6 THR H H 13.405 -0.462 2.863 . . . 1.0 . . . . . . . . . . . . B . 6 THR H . . . . . . . . . c16510_2ke1 1 . 2 . 2178 . 2 2 6 THR HA H 15.602 -2.384 2.855 . . . 1.0 . . . . . . . . . . . . B . 6 THR HA . . . . . . . . . c16510_2ke1 1 . 2 . 2179 . 2 2 6 THR HB H 15.111 -2.542 0.415 . . . 1.0 . . . . . . . . . . . . B . 6 THR HB . . . . . . . . . c16510_2ke1 1 . 2 . 2180 . 2 2 6 THR HG1 H 13.215 -1.487 -0.344 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG1 . . . . . . . . . c16510_2ke1 1 . 2 . 2181 . 2 2 6 THR HG21 H 12.924 -3.652 0.660 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG21 . . . . . . . . . c16510_2ke1 1 . 2 . 2182 . 2 2 6 THR HG22 H 12.747 -2.915 2.253 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG22 . . . . . . . . . c16510_2ke1 1 . 2 . 2183 . 2 2 6 THR HG23 H 14.036 -4.081 1.961 . . . 1.0 . . . . . . . . . . . . B . 6 THR HG23 . . . . . . . . . c16510_2ke1 1 . 2 . 2184 . 2 2 6 THR N N 14.181 -0.939 3.237 . . . 1.0 . . . . . . . . . . . . B . 6 THR N . . . . . . . . . c16510_2ke1 1 . 2 . 2185 . 2 2 6 THR O O 16.111 0.610 2.166 . . . 1.0 . . . . . . . . . . . . B . 6 THR O . . . . . . . . . c16510_2ke1 1 . 2 . 2186 . 2 2 6 THR OG1 O 13.617 -1.126 0.456 . . . 1.0 . . . . . . . . . . . . B . 6 THR OG1 . . . . . . . . . c16510_2ke1 1 . 2 . 2187 . 2 2 7 ALA C C 17.590 0.481 -0.680 . . . 1.0 . . . . . . . . . . . . B . 7 ALA C . . . . . . . . . c16510_2ke1 1 . 2 . 2188 . 2 2 7 ALA CA C 18.177 -0.234 0.527 . . . 1.0 . . . . . . . . . . . . B . 7 ALA CA . . . . . . . . . c16510_2ke1 1 . 2 . 2189 . 2 2 7 ALA CB C 19.397 -1.053 0.124 . . . 1.0 . . . . . . . . . . . . B . 7 ALA CB . . . . . . . . . c16510_2ke1 1 . 2 . 2190 . 2 2 7 ALA H H 17.206 -2.057 0.979 . . . 1.0 . . . . . . . . . . . . B . 7 ALA H . . . . . . . . . c16510_2ke1 1 . 2 . 2191 . 2 2 7 ALA HA H 18.481 0.498 1.261 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HA . . . . . . . . . c16510_2ke1 1 . 2 . 2192 . 2 2 7 ALA HB1 H 19.813 -1.537 0.996 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HB1 . . . . . . . . . c16510_2ke1 1 . 2 . 2193 . 2 2 7 ALA HB2 H 20.139 -0.401 -0.313 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2194 . 2 2 7 ALA HB3 H 19.106 -1.801 -0.598 . . . 1.0 . . . . . . . . . . . . B . 7 ALA HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2195 . 2 2 7 ALA N N 17.165 -1.086 1.126 . . . 1.0 . . . . . . . . . . . . B . 7 ALA N . . . . . . . . . c16510_2ke1 1 . 2 . 2196 . 2 2 7 ALA O O 16.937 -0.141 -1.520 . . . 1.0 . . . . . . . . . . . . B . 7 ALA O . . . . . . . . . c16510_2ke1 1 . 2 . 2197 . 2 2 8 ARG C C 17.883 2.175 -3.166 . . . 1.0 . . . . . . . . . . . . B . 8 ARG C . . . . . . . . . c16510_2ke1 1 . 2 . 2198 . 2 2 8 ARG CA C 17.270 2.588 -1.839 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CA . . . . . . . . . c16510_2ke1 1 . 2 . 2199 . 2 2 8 ARG CB C 17.510 4.074 -1.586 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CB . . . . . . . . . c16510_2ke1 1 . 2 . 2200 . 2 2 8 ARG CD C 16.771 6.098 -0.291 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CD . . . . . . . . . c16510_2ke1 1 . 2 . 2201 . 2 2 8 ARG CG C 16.873 4.582 -0.302 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CG . . . . . . . . . c16510_2ke1 1 . 2 . 2202 . 2 2 8 ARG CZ C 18.411 7.480 -1.514 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CZ . . . . . . . . . c16510_2ke1 1 . 2 . 2203 . 2 2 8 ARG H H 18.369 2.211 -0.071 . . . 1.0 . . . . . . . . . . . . B . 8 ARG H . . . . . . . . . c16510_2ke1 1 . 2 . 2204 . 2 2 8 ARG HA H 16.204 2.410 -1.877 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HA . . . . . . . . . c16510_2ke1 1 . 2 . 2205 . 2 2 8 ARG HB2 H 18.575 4.249 -1.529 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2206 . 2 2 8 ARG HB3 H 17.105 4.640 -2.411 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2207 . 2 2 8 ARG HD2 H 16.124 6.405 -1.099 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 2208 . 2 2 8 ARG HD3 H 16.342 6.408 0.650 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 2209 . 2 2 8 ARG HE H 18.728 6.622 0.272 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HE . . . . . . . . . c16510_2ke1 1 . 2 . 2210 . 2 2 8 ARG HG2 H 15.881 4.163 -0.214 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2211 . 2 2 8 ARG HG3 H 17.474 4.265 0.536 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2212 . 2 2 8 ARG HH11 H 16.656 7.188 -2.501 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH11 . . . . . . . . . c16510_2ke1 1 . 2 . 2213 . 2 2 8 ARG HH12 H 17.823 8.189 -3.316 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH12 . . . . . . . . . c16510_2ke1 1 . 2 . 2214 . 2 2 8 ARG HH21 H 20.266 7.926 -0.828 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH21 . . . . . . . . . c16510_2ke1 1 . 2 . 2215 . 2 2 8 ARG HH22 H 19.860 8.610 -2.374 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH22 . . . . . . . . . c16510_2ke1 1 . 2 . 2216 . 2 2 8 ARG N N 17.815 1.783 -0.756 . . . 1.0 . . . . . . . . . . . . B . 8 ARG N . . . . . . . . . c16510_2ke1 1 . 2 . 2217 . 2 2 8 ARG NE N 18.073 6.741 -0.456 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NE . . . . . . . . . c16510_2ke1 1 . 2 . 2218 . 2 2 8 ARG NH1 N 17.564 7.633 -2.523 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NH1 . . . . . . . . . c16510_2ke1 1 . 2 . 2219 . 2 2 8 ARG NH2 N 19.609 8.050 -1.574 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NH2 . . . . . . . . . c16510_2ke1 1 . 2 . 2220 . 2 2 8 ARG O O 19.062 1.828 -3.237 . . . 1.0 . . . . . . . . . . . . B . 8 ARG O . . . . . . . . . c16510_2ke1 1 . 2 . 2221 . 2 2 9 LYS C C 17.943 2.900 -6.408 . . . 1.0 . . . . . . . . . . . . B . 9 LYS C . . . . . . . . . c16510_2ke1 1 . 2 . 2222 . 2 2 9 LYS CA C 17.505 1.746 -5.520 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CA . . . . . . . . . c16510_2ke1 1 . 2 . 2223 . 2 2 9 LYS CB C 16.373 0.964 -6.191 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CB . . . . . . . . . c16510_2ke1 1 . 2 . 2224 . 2 2 9 LYS CD C 17.115 -1.165 -5.069 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CD . . . . . . . . . c16510_2ke1 1 . 2 . 2225 . 2 2 9 LYS CE C 16.665 -2.450 -4.392 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CE . . . . . . . . . c16510_2ke1 1 . 2 . 2226 . 2 2 9 LYS CG C 15.935 -0.267 -5.411 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CG . . . . . . . . . c16510_2ke1 1 . 2 . 2227 . 2 2 9 LYS H H 16.202 2.661 -4.126 . . . 1.0 . . . . . . . . . . . . B . 9 LYS H . . . . . . . . . c16510_2ke1 1 . 2 . 2228 . 2 2 9 LYS HA H 18.346 1.086 -5.370 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HA . . . . . . . . . c16510_2ke1 1 . 2 . 2229 . 2 2 9 LYS HB2 H 15.517 1.616 -6.301 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2230 . 2 2 9 LYS HB3 H 16.701 0.646 -7.168 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2231 . 2 2 9 LYS HD2 H 17.642 -1.416 -5.978 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HD2 . . . . . . . . . c16510_2ke1 1 . 2 . 2232 . 2 2 9 LYS HD3 H 17.778 -0.632 -4.402 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HD3 . . . . . . . . . c16510_2ke1 1 . 2 . 2233 . 2 2 9 LYS HE2 H 17.534 -2.969 -4.016 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HE2 . . . . . . . . . c16510_2ke1 1 . 2 . 2234 . 2 2 9 LYS HE3 H 16.012 -2.200 -3.570 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HE3 . . . . . . . . . c16510_2ke1 1 . 2 . 2235 . 2 2 9 LYS HG2 H 15.461 0.052 -4.496 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HG2 . . . . . . . . . c16510_2ke1 1 . 2 . 2236 . 2 2 9 LYS HG3 H 15.231 -0.824 -6.010 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HG3 . . . . . . . . . c16510_2ke1 1 . 2 . 2237 . 2 2 9 LYS HZ1 H 16.580 -3.665 -6.090 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ1 . . . . . . . . . c16510_2ke1 1 . 2 . 2238 . 2 2 9 LYS HZ2 H 15.134 -2.836 -5.765 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ2 . . . . . . . . . c16510_2ke1 1 . 2 . 2239 . 2 2 9 LYS HZ3 H 15.571 -4.173 -4.826 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ3 . . . . . . . . . c16510_2ke1 1 . 2 . 2240 . 2 2 9 LYS N N 17.088 2.238 -4.218 . . . 1.0 . . . . . . . . . . . . B . 9 LYS N . . . . . . . . . c16510_2ke1 1 . 2 . 2241 . 2 2 9 LYS NZ N 15.941 -3.342 -5.332 . . . 1.0 . . . . . . . . . . . . B . 9 LYS NZ . . . . . . . . . c16510_2ke1 1 . 2 . 2242 . 2 2 9 LYS O O 18.042 2.755 -7.626 . . . 1.0 . . . . . . . . . . . . B . 9 LYS O . . . . . . . . . c16510_2ke1 1 . 2 . 2243 . 2 2 10 SER C C 20.197 5.074 -6.693 . . . 1.0 . . . . . . . . . . . . B . 10 SER C . . . . . . . . . c16510_2ke1 1 . 2 . 2244 . 2 2 10 SER CA C 18.688 5.200 -6.505 . . . 1.0 . . . . . . . . . . . . B . 10 SER CA . . . . . . . . . c16510_2ke1 1 . 2 . 2245 . 2 2 10 SER CB C 18.354 6.481 -5.740 . . . 1.0 . . . . . . . . . . . . B . 10 SER CB . . . . . . . . . c16510_2ke1 1 . 2 . 2246 . 2 2 10 SER H H 18.017 4.114 -4.829 . . . 1.0 . . . . . . . . . . . . B . 10 SER H . . . . . . . . . c16510_2ke1 1 . 2 . 2247 . 2 2 10 SER HA H 18.209 5.227 -7.472 . . . 1.0 . . . . . . . . . . . . B . 10 SER HA . . . . . . . . . c16510_2ke1 1 . 2 . 2248 . 2 2 10 SER HB2 H 18.879 6.480 -4.798 . . . 1.0 . . . . . . . . . . . . B . 10 SER HB2 . . . . . . . . . c16510_2ke1 1 . 2 . 2249 . 2 2 10 SER HB3 H 18.664 7.336 -6.324 . . . 1.0 . . . . . . . . . . . . B . 10 SER HB3 . . . . . . . . . c16510_2ke1 1 . 2 . 2250 . 2 2 10 SER HG H 16.517 5.760 -5.768 . . . 1.0 . . . . . . . . . . . . B . 10 SER HG . . . . . . . . . c16510_2ke1 1 . 2 . 2251 . 2 2 10 SER N N 18.186 4.044 -5.790 . . . 1.0 . . . . . . . . . . . . B . 10 SER N . . . . . . . . . c16510_2ke1 1 . 2 . 2252 . 2 2 10 SER O O 20.643 4.770 -7.822 . . . 1.0 . . . . . . . . . . . . B . 10 SER O . . . . . . . . . c16510_2ke1 1 . 2 . 2253 . 2 2 10 SER OXT O 20.931 5.235 -5.696 . . . 1.0 . . . . . . . . . . . . B . 10 SER OXT . . . . . . . . . c16510_2ke1 1 . 2 . 2254 . 2 2 10 SER OG O 16.961 6.582 -5.486 . . . 1.0 . . . . . . . . . . . . B . 10 SER OG . . . . . . . . . c16510_2ke1 1 . 2 . 2255 . 3 3 1 ZN ZN Zn 8.098 5.647 -4.659 . . . 1.0 . . . . . . . . . . . . A . 355 ZN ZN . . . . . . . . . c16510_2ke1 1 . 2 . 2256 . 4 3 1 ZN ZN Zn -3.415 -3.555 -2.276 . . . 1.0 . . . . . . . . . . . . A . 356 ZN ZN . . . . . . . . . c16510_2ke1 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c16510_2ke1 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2ke1.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c16510_2ke1 1 1 2ke1.mr . . XPLOR/CNS 2 distance NOE ambi 1012 c16510_2ke1 1 1 2ke1.mr . . XPLOR/CNS 3 distance 'general distance' simple 9 c16510_2ke1 1 1 2ke1.mr . . n/a 4 comment 'Not applicable' 'Not applicable' 0 c16510_2ke1 1 1 2ke1.mr . . XPLOR/CNS 5 distance NOE ambi 191 c16510_2ke1 1 1 2ke1.mr . . n/a 6 comment 'Not applicable' 'Not applicable' 0 c16510_2ke1 1 1 2ke1.mr . . XPLOR/CNS 7 'dihedral angle' 'Not applicable' 'Not applicable' 86 c16510_2ke1 1 1 2ke1.mr . . n/a 8 comment 'Not applicable' 'Not applicable' 0 c16510_2ke1 1 1 2ke1.mr . . XPLOR/CNS 9 distance 'hydrogen bond' simple 16 c16510_2ke1 1 1 2ke1.mr . . n/a 10 comment 'Not applicable' 'Not applicable' 0 c16510_2ke1 1 1 2ke1.mr . . XPLOR/CNS 11 'dipolar coupling' 'Not applicable' 'Not applicable' 52 c16510_2ke1 1 1 2ke1.mr . . 'MR format' 12 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c16510_2ke1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c16510_2ke1 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16510_2ke1 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'spec=15N_...spin, no=7, id=1956, vol=1.884537e+06' 1 127 1 178 c16510_2ke1 1 2 'spec=15N_...spin, no=8, id=1957, vol=5.372625e+06' 2 127 2 178 c16510_2ke1 1 3 'spec=15N_...spin, no=14, id=1958, vol=1.055159e+06' 3 127 3 179 c16510_2ke1 1 4 'spec=15N_...spin, no=21, id=1959, vol=1.172588e+06' 4 127 4 179 c16510_2ke1 1 5 'spec=15N_...spin, no=35, id=1962, vol=1.983307e+06' 6 127 6 179 c16510_2ke1 1 6 'spec=15N_...spin, no=22, id=1960, vol=5.960556e+06' 5 127 5 179 c16510_2ke1 1 7 'spec=15N_...spin, no=41, id=1965, vol=1.328005e+06' 9 127 9 179 c16510_2ke1 1 8 'spec=15N_...spin, no=46, id=1966, vol=2.456948e+06' 10 127 10 179 c16510_2ke1 1 9 'spec=15N_...spin, no=47, id=1967, vol=5.133575e+06' 11 127 11 179 c16510_2ke1 1 10 'spec=15N_...spin, no=55, id=1969, vol=5.075999e+06' 12 127 12 179 c16510_2ke1 1 11 'spec=15N_...spin, no=59, id=1970, vol=1.031261e+06' 13 127 13 179 c16510_2ke1 1 12 'spec=15N_...spin, no=60, id=1971, vol=2.133376e+06' 14 127 14 179 c16510_2ke1 1 13 'spec=15N_...spin, no=68, id=1973, vol=2.295472e+06' 15 127 15 179 c16510_2ke1 1 14 'spec=aronoesy, no=6, id=0, vol=1.753660e+07' 17 127 17 172 c16510_2ke1 1 15 'spec=15N_...spin, no=69, id=1974, vol=6.950220e+05' 16 127 16 179 c16510_2ke1 1 16 'spec=aronoesy, no=7, id=1, vol=8.486677e+06' 20 127 20 172 c16510_2ke1 1 17 'spec=aronoesy, no=9, id=3, vol=1.093453e+08' 21 127 21 172 c16510_2ke1 1 18 'spec=aronoesy, no=10, id=4, vol=4.711759e+07' 22 127 22 173 c16510_2ke1 1 19 'spec=aronoesy, no=12, id=5, vol=4.907343e+07' 23 127 23 173 c16510_2ke1 1 20 'spec=aronoesy, no=34, id=10, vol=8.606451e+06' 24 127 24 174 c16510_2ke1 1 21 'spec=aronoesy, no=38, id=14, vol=1.173603e+07' 26 127 26 174 c16510_2ke1 1 22 'spec=aronoesy, no=35, id=11, vol=6.822696e+06' 25 127 25 174 c16510_2ke1 1 23 'spec=aronoesy, no=46, id=16, vol=1.156851e+07' 29 127 29 174 c16510_2ke1 1 24 'spec=aronoesy, no=47, id=17, vol=2.376313e+07' 30 127 30 174 c16510_2ke1 1 25 'spec=aronoesy, no=49, id=19, vol=8.901559e+06' 31 127 31 174 c16510_2ke1 1 26 'spec=aronoesy, no=51, id=20, vol=1.094166e+07' 32 127 32 174 c16510_2ke1 1 27 'spec=aronoesy, no=52, id=21, vol=8.682847e+06' 33 127 33 174 c16510_2ke1 1 28 'spec=aronoesy, no=55, id=24, vol=1.101152e+07' 35 127 35 174 c16510_2ke1 1 29 'spec=aronoesy, no=53, id=22, vol=8.068113e+06' 34 127 34 174 c16510_2ke1 1 30 'spec=aronoesy, no=56, id=25, vol=5.910738e+07' 38 127 38 174 c16510_2ke1 1 31 'spec=aronoesy, no=60, id=29, vol=8.457138e+06' 42 127 42 174 c16510_2ke1 1 32 'spec=aronoesy, no=59, id=28, vol=1.038240e+07' 41 127 41 174 c16510_2ke1 1 33 'spec=aronoesy, no=70, id=36, vol=4.019656e+07' 46 127 46 174 c16510_2ke1 1 34 'spec=aronoesy, no=69, id=35, vol=3.351498e+07' 45 127 45 174 c16510_2ke1 1 35 'spec=aronoesy, no=75, id=39, vol=8.306960e+07' 49 127 49 174 c16510_2ke1 1 36 'spec=aronoesy, no=96, id=43, vol=6.511703e+07' 52 127 52 174 c16510_2ke1 1 37 'spec=aronoesy, no=97, id=44, vol=1.336957e+08' 54 127 54 174 c16510_2ke1 1 38 'spec=aronoesy, no=98, id=45, vol=8.050972e+07' 55 127 55 174 c16510_2ke1 1 39 'spec=aronoesy, no=101, id=47, vol=2.922022e+07' 57 127 57 175 c16510_2ke1 1 40 'spec=aronoesy, no=100, id=46, vol=3.664273e+07' 56 127 56 175 c16510_2ke1 1 41 'spec=aronoesy, no=104, id=48, vol=1.055866e+08' 59 127 59 175 c16510_2ke1 1 42 'spec=aronoesy, no=105, id=49, vol=4.312328e+07' 60 127 60 175 c16510_2ke1 1 43 'spec=aronoesy, no=110, id=51, vol=1.308737e+08' 61 127 61 175 c16510_2ke1 1 44 'spec=aronoesy, no=111, id=52, vol=8.577696e+06' 62 127 62 175 c16510_2ke1 1 45 'spec=aronoesy, no=113, id=53, vol=5.754521e+07' 63 127 63 175 c16510_2ke1 1 46 'spec=aronoesy, no=117, id=54, vol=4.624737e+07' 64 127 64 175 c16510_2ke1 1 47 'spec=aronoesy, no=140, id=58, vol=7.516848e+06' 66 127 66 175 c16510_2ke1 1 48 'spec=aronoesy, no=138, id=56, vol=7.078379e+06' 65 127 65 175 c16510_2ke1 1 49 'spec=aronoesy, no=142, id=59, vol=6.727150e+06' 68 127 68 175 c16510_2ke1 1 50 'spec=aronoesy, no=143, id=60, vol=6.773045e+06' 69 127 69 175 c16510_2ke1 1 51 'spec=aronoesy, no=144, id=61, vol=8.203562e+06' 70 127 70 175 c16510_2ke1 1 52 'spec=aronoesy, no=146, id=62, vol=5.799118e+06' 71 127 71 175 c16510_2ke1 1 53 'spec=cnoesy, no=5, id=504, vol=5.293456e+07' 72 127 72 172 c16510_2ke1 1 54 'spec=cnoesy, no=7, id=506, vol=4.171179e+07' 73 127 73 172 c16510_2ke1 1 55 'spec=cnoesy, no=12, id=511, vol=7.426369e+08' 75 127 75 173 c16510_2ke1 1 56 'spec=cnoesy, no=9, id=508, vol=9.953771e+07' 74 127 74 172 c16510_2ke1 1 57 'spec=cnoesy, no=16, id=515, vol=1.219443e+09' 78 127 78 173 c16510_2ke1 1 58 'spec=cnoesy, no=21, id=520, vol=2.879636e+08' 79 127 79 173 c16510_2ke1 1 59 'spec=cnoesy, no=22, id=521, vol=9.597229e+07' 80 127 80 173 c16510_2ke1 1 60 'spec=cnoesy, no=26, id=525, vol=7.163303e+07' 81 127 81 173 c16510_2ke1 1 61 'spec=cnoesy, no=28, id=527, vol=9.238566e+07' 82 127 82 173 c16510_2ke1 1 62 'spec=cnoesy, no=33, id=530, vol=1.982633e+08' 83 127 83 173 c16510_2ke1 1 63 'spec=cnoesy, no=41, id=538, vol=6.904396e+08' 85 127 85 173 c16510_2ke1 1 64 'spec=cnoesy, no=37, id=534, vol=3.402926e+08' 84 127 84 173 c16510_2ke1 1 65 'spec=cnoesy, no=46, id=541, vol=1.301064e+09' 88 127 88 173 c16510_2ke1 1 66 'spec=cnoesy, no=48, id=543, vol=6.980412e+07' 91 127 91 173 c16510_2ke1 1 67 'spec=cnoesy, no=61, id=553, vol=1.925211e+09' 92 127 92 173 c16510_2ke1 1 68 'spec=cnoesy, no=64, id=556, vol=7.668745e+08' 94 127 94 173 c16510_2ke1 1 69 'spec=cnoesy, no=63, id=555, vol=1.253566e+09' 93 127 93 173 c16510_2ke1 1 70 'spec=cnoesy, no=65, id=557, vol=6.797716e+08' 97 127 97 173 c16510_2ke1 1 71 'spec=cnoesy, no=72, id=560, vol=6.978327e+07' 100 127 100 173 c16510_2ke1 1 72 'spec=cnoesy, no=76, id=564, vol=1.805389e+08' 103 127 103 173 c16510_2ke1 1 73 'spec=cnoesy, no=78, id=566, vol=1.042028e+08' 106 127 106 173 c16510_2ke1 1 74 'spec=cnoesy, no=79, id=567, vol=2.358156e+08' 109 127 109 173 c16510_2ke1 1 75 'spec=cnoesy, no=86, id=574, vol=2.803557e+08' 112 127 112 173 c16510_2ke1 1 76 'spec=cnoesy, no=88, id=576, vol=1.352243e+08' 115 127 115 173 c16510_2ke1 1 77 'spec=cnoesy, no=92, id=579, vol=1.001402e+09' 118 127 118 173 c16510_2ke1 1 78 'spec=cnoesy, no=93, id=580, vol=9.623583e+08' 127 127 127 173 c16510_2ke1 1 79 'spec=cnoesy, no=96, id=582, vol=6.095852e+08' 136 127 136 173 c16510_2ke1 1 80 'spec=cnoesy, no=99, id=585, vol=3.023383e+08' 145 127 145 173 c16510_2ke1 1 81 'spec=cnoesy, no=100, id=586, vol=4.599969e+08' 148 127 148 174 c16510_2ke1 1 82 'spec=cnoesy, no=103, id=589, vol=3.122398e+08' 151 127 151 174 c16510_2ke1 1 83 'spec=cnoesy, no=105, id=591, vol=4.938750e+08' 152 127 152 174 c16510_2ke1 1 84 'spec=cnoesy, no=108, id=593, vol=3.716612e+08' 153 127 153 174 c16510_2ke1 1 85 'spec=cnoesy, no=109, id=594, vol=3.081780e+08' 154 127 154 174 c16510_2ke1 1 86 'spec=cnoesy, no=113, id=598, vol=8.085285e+07' 155 127 155 174 c16510_2ke1 1 87 'spec=cnoesy, no=116, id=601, vol=2.475351e+08' 156 127 156 174 c16510_2ke1 1 88 'spec=cnoesy, no=117, id=602, vol=1.880828e+08' 157 127 157 174 c16510_2ke1 1 89 'spec=cnoesy, no=119, id=604, vol=1.271435e+08' 158 127 158 174 c16510_2ke1 1 90 'spec=cnoesy, no=120, id=605, vol=1.262268e+08' 159 127 159 174 c16510_2ke1 1 91 'spec=cnoesy, no=129, id=611, vol=4.097047e+08' 160 127 160 174 c16510_2ke1 1 92 'spec=cnoesy, no=134, id=615, vol=5.899609e+08' 161 127 161 174 c16510_2ke1 1 93 'spec=cnoesy, no=135, id=616, vol=5.111558e+08' 162 127 162 174 c16510_2ke1 1 94 'spec=cnoesy, no=141, id=622, vol=3.825447e+08' 163 127 163 174 c16510_2ke1 1 95 'spec=cnoesy, no=150, id=628, vol=1.013536e+08' 164 127 164 174 c16510_2ke1 1 96 'spec=cnoesy, no=157, id=634, vol=1.186125e+08' 166 127 166 174 c16510_2ke1 1 97 'spec=cnoesy, no=152, id=630, vol=1.181046e+08' 165 127 165 174 c16510_2ke1 1 98 'spec=cnoesy, no=160, id=637, vol=4.345727e+08' 169 127 169 174 c16510_2ke1 1 99 'spec=cnoesy, no=167, id=644, vol=5.950583e+08' 171 127 171 174 c16510_2ke1 1 100 'spec=cnoesy, no=162, id=639, vol=9.928617e+08' 170 127 170 174 c16510_2ke1 1 101 'spec=cnoesy, no=171, id=648, vol=1.304265e+09' 175 127 175 174 c16510_2ke1 1 102 'spec=cnoesy, no=169, id=646, vol=5.688950e+07' 174 127 174 174 c16510_2ke1 1 103 'spec=cnoesy, no=172, id=649, vol=9.083919e+07' 178 127 178 174 c16510_2ke1 1 104 'spec=cnoesy, no=173, id=650, vol=1.278306e+08' 179 127 179 174 c16510_2ke1 1 105 'spec=cnoesy, no=174, id=651, vol=6.243844e+07' 180 127 180 174 c16510_2ke1 1 106 'spec=cnoesy, no=176, id=653, vol=3.692357e+08' 181 127 181 174 c16510_2ke1 1 107 'spec=cnoesy, no=177, id=654, vol=1.281815e+09' 182 127 182 174 c16510_2ke1 1 108 'spec=cnoesy, no=182, id=657, vol=1.259070e+08' 183 127 183 174 c16510_2ke1 1 109 'spec=cnoesy, no=183, id=658, vol=8.207636e+07' 184 127 184 174 c16510_2ke1 1 110 'spec=cnoesy, no=192, id=666, vol=4.635462e+08' 185 127 185 174 c16510_2ke1 1 111 'spec=cnoesy, no=193, id=667, vol=4.865802e+08' 186 127 186 174 c16510_2ke1 1 112 'spec=cnoesy, no=194, id=668, vol=1.058451e+09' 187 127 187 174 c16510_2ke1 1 113 'spec=cnoesy, no=203, id=676, vol=9.395547e+07' 188 127 188 174 c16510_2ke1 1 114 'spec=cnoesy, no=209, id=680, vol=1.307500e+09' 189 127 189 174 c16510_2ke1 1 115 'spec=cnoesy, no=212, id=683, vol=1.168430e+08' 190 127 190 174 c16510_2ke1 1 116 'spec=cnoesy, no=218, id=689, vol=9.851309e+08' 192 127 192 174 c16510_2ke1 1 117 'spec=cnoesy, no=213, id=684, vol=2.430318e+08' 191 127 191 174 c16510_2ke1 1 118 'spec=cnoesy, no=247, id=712, vol=9.901474e+08' 202 127 202 174 c16510_2ke1 1 119 'spec=cnoesy, no=222, id=691, vol=1.435990e+08' 201 127 201 174 c16510_2ke1 1 120 'spec=cnoesy, no=248, id=713, vol=3.415955e+08' 205 127 205 174 c16510_2ke1 1 121 'spec=cnoesy, no=249, id=714, vol=3.457698e+08' 206 127 206 174 c16510_2ke1 1 122 'spec=cnoesy, no=250, id=715, vol=2.121556e+08' 207 127 207 174 c16510_2ke1 1 123 'spec=cnoesy, no=251, id=716, vol=3.255440e+08' 208 127 208 174 c16510_2ke1 1 124 'spec=cnoesy, no=252, id=717, vol=1.486456e+08' 209 127 209 174 c16510_2ke1 1 125 'spec=cnoesy, no=268, id=727, vol=1.935582e+08' 210 127 210 174 c16510_2ke1 1 126 'spec=cnoesy, no=269, id=728, vol=1.349869e+08' 211 127 211 174 c16510_2ke1 1 127 'spec=cnoesy, no=270, id=729, vol=4.758870e+08' 212 127 212 174 c16510_2ke1 1 128 'spec=cnoesy, no=271, id=730, vol=1.370861e+08' 213 127 213 174 c16510_2ke1 1 129 'spec=cnoesy, no=273, id=731, vol=4.686979e+07' 214 127 214 174 c16510_2ke1 1 130 'spec=cnoesy, no=274, id=732, vol=5.442985e+07' 215 127 215 174 c16510_2ke1 1 131 'spec=cnoesy, no=275, id=733, vol=3.487524e+07' 216 127 216 174 c16510_2ke1 1 132 'spec=cnoesy, no=285, id=740, vol=2.469352e+08' 217 127 217 174 c16510_2ke1 1 133 'spec=cnoesy, no=298, id=749, vol=5.008115e+08' 219 127 219 174 c16510_2ke1 1 134 'spec=cnoesy, no=289, id=743, vol=3.671904e+08' 218 127 218 174 c16510_2ke1 1 135 'spec=cnoesy, no=305, id=755, vol=3.828863e+08' 222 127 222 174 c16510_2ke1 1 136 'spec=cnoesy, no=306, id=756, vol=2.493403e+08' 223 127 223 174 c16510_2ke1 1 137 'spec=cnoesy, no=310, id=760, vol=3.113122e+07' 224 127 224 174 c16510_2ke1 1 138 'spec=cnoesy, no=311, id=761, vol=9.965411e+07' 225 127 225 174 c16510_2ke1 1 139 'spec=cnoesy, no=321, id=765, vol=1.683247e+08' 226 127 226 174 c16510_2ke1 1 140 'spec=cnoesy, no=324, id=767, vol=2.235475e+08' 228 127 228 174 c16510_2ke1 1 141 'spec=cnoesy, no=322, id=766, vol=1.361300e+08' 227 127 227 174 c16510_2ke1 1 142 'spec=cnoesy, no=325, id=768, vol=5.601839e+07' 231 127 231 174 c16510_2ke1 1 143 'spec=cnoesy, no=326, id=769, vol=2.434226e+08' 234 127 234 174 c16510_2ke1 1 144 'spec=cnoesy, no=330, id=772, vol=2.250620e+08' 237 127 237 174 c16510_2ke1 1 145 'spec=cnoesy, no=334, id=775, vol=3.776212e+08' 239 127 239 174 c16510_2ke1 1 146 'spec=cnoesy, no=332, id=774, vol=8.841943e+07' 238 127 238 174 c16510_2ke1 1 147 'spec=cnoesy, no=335, id=776, vol=1.310764e+08' 242 127 242 174 c16510_2ke1 1 148 'spec=cnoesy, no=337, id=777, vol=2.334249e+08' 245 127 245 174 c16510_2ke1 1 149 'spec=cnoesy, no=345, id=783, vol=2.596870e+08' 249 127 249 174 c16510_2ke1 1 150 'spec=cnoesy, no=339, id=779, vol=3.009194e+08' 248 127 248 174 c16510_2ke1 1 151 'spec=cnoesy, no=347, id=784, vol=8.495283e+07' 252 127 252 174 c16510_2ke1 1 152 'spec=cnoesy, no=353, id=789, vol=3.869941e+07' 255 127 255 174 c16510_2ke1 1 153 'spec=cnoesy, no=356, id=791, vol=2.241084e+08' 258 127 258 174 c16510_2ke1 1 154 'spec=cnoesy, no=357, id=792, vol=4.563325e+08' 261 127 261 174 c16510_2ke1 1 155 'spec=cnoesy, no=359, id=793, vol=2.080846e+08' 264 127 264 174 c16510_2ke1 1 156 'spec=cnoesy, no=360, id=794, vol=4.043268e+07' 267 127 267 174 c16510_2ke1 1 157 'spec=cnoesy, no=361, id=795, vol=6.436365e+08' 270 127 270 174 c16510_2ke1 1 158 'spec=cnoesy, no=369, id=797, vol=1.767114e+08' 271 127 271 174 c16510_2ke1 1 159 'spec=cnoesy, no=373, id=800, vol=3.294395e+08' 273 127 273 174 c16510_2ke1 1 160 'spec=cnoesy, no=371, id=799, vol=4.767343e+08' 272 127 272 174 c16510_2ke1 1 161 'spec=cnoesy, no=375, id=802, vol=4.337106e+07' 276 127 276 174 c16510_2ke1 1 162 'spec=cnoesy, no=388, id=804, vol=6.344690e+07' 279 127 279 174 c16510_2ke1 1 163 'spec=cnoesy, no=390, id=806, vol=3.652763e+08' 282 127 282 174 c16510_2ke1 1 164 'spec=cnoesy, no=392, id=807, vol=2.720689e+07' 285 127 285 174 c16510_2ke1 1 165 'spec=cnoesy, no=394, id=809, vol=5.293057e+07' 288 127 288 174 c16510_2ke1 1 166 'spec=cnoesy, no=397, id=810, vol=1.345518e+08' 291 127 291 174 c16510_2ke1 1 167 'spec=cnoesy, no=398, id=811, vol=4.105162e+07' 297 127 297 174 c16510_2ke1 1 168 'spec=cnoesy, no=399, id=812, vol=4.032924e+07' 300 127 300 174 c16510_2ke1 1 169 'spec=cnoesy, no=401, id=814, vol=1.176513e+08' 303 127 303 174 c16510_2ke1 1 170 'spec=cnoesy, no=402, id=815, vol=2.266851e+08' 306 127 306 174 c16510_2ke1 1 171 'spec=cnoesy, no=409, id=819, vol=4.371825e+07' 309 127 309 174 c16510_2ke1 1 172 'spec=cnoesy, no=412, id=822, vol=3.484116e+08' 310 127 310 174 c16510_2ke1 1 173 'spec=cnoesy, no=413, id=823, vol=4.749253e+08' 311 127 311 174 c16510_2ke1 1 174 'spec=cnoesy, no=418, id=828, vol=5.362328e+08' 312 127 312 174 c16510_2ke1 1 175 'spec=cnoesy, no=421, id=831, vol=1.670464e+08' 313 127 313 174 c16510_2ke1 1 176 'spec=cnoesy, no=425, id=834, vol=1.101879e+08' 314 127 314 174 c16510_2ke1 1 177 'spec=cnoesy, no=427, id=836, vol=1.280029e+08' 315 127 315 174 c16510_2ke1 1 178 'spec=cnoesy, no=429, id=838, vol=4.444549e+08' 316 127 316 174 c16510_2ke1 1 179 'spec=cnoesy, no=433, id=842, vol=1.352364e+08' 317 127 317 174 c16510_2ke1 1 180 'spec=cnoesy, no=436, id=843, vol=6.896167e+07' 318 127 318 174 c16510_2ke1 1 181 'spec=cnoesy, no=437, id=844, vol=7.083060e+07' 319 127 319 174 c16510_2ke1 1 182 'spec=cnoesy, no=444, id=849, vol=1.328829e+08' 321 127 321 174 c16510_2ke1 1 183 'spec=cnoesy, no=440, id=846, vol=3.559047e+08' 320 127 320 174 c16510_2ke1 1 184 'spec=cnoesy, no=445, id=850, vol=3.067426e+08' 324 127 324 174 c16510_2ke1 1 185 'spec=cnoesy, no=451, id=852, vol=6.694124e+08' 327 127 327 174 c16510_2ke1 1 186 'spec=cnoesy, no=454, id=855, vol=1.916192e+08' 336 127 336 174 c16510_2ke1 1 187 'spec=cnoesy, no=459, id=859, vol=4.392306e+07' 338 127 338 174 c16510_2ke1 1 188 'spec=cnoesy, no=466, id=864, vol=4.306194e+07' 341 127 341 174 c16510_2ke1 1 189 'spec=cnoesy, no=468, id=866, vol=1.648911e+08' 343 127 343 174 c16510_2ke1 1 190 'spec=cnoesy, no=467, id=865, vol=1.825168e+08' 342 127 342 174 c16510_2ke1 1 191 'spec=cnoesy, no=473, id=870, vol=1.455063e+08' 346 127 346 174 c16510_2ke1 1 192 'spec=cnoesy, no=475, id=871, vol=4.400513e+07' 349 127 349 174 c16510_2ke1 1 193 'spec=cnoesy, no=476, id=872, vol=7.363038e+07' 352 127 352 174 c16510_2ke1 1 194 'spec=cnoesy, no=477, id=873, vol=3.770072e+08' 355 127 355 174 c16510_2ke1 1 195 'spec=cnoesy, no=481, id=877, vol=1.014630e+08' 358 127 358 174 c16510_2ke1 1 196 'spec=cnoesy, no=492, id=885, vol=3.294165e+07' 361 127 361 174 c16510_2ke1 1 197 'spec=cnoesy, no=494, id=887, vol=4.402980e+07' 364 127 364 174 c16510_2ke1 1 198 'spec=cnoesy, no=495, id=888, vol=1.207405e+08' 367 127 367 174 c16510_2ke1 1 199 'spec=cnoesy, no=496, id=889, vol=2.956529e+08' 370 127 370 174 c16510_2ke1 1 200 'spec=cnoesy, no=497, id=890, vol=2.713025e+08' 373 127 373 174 c16510_2ke1 1 201 'spec=cnoesy, no=499, id=892, vol=6.253584e+07' 376 127 376 174 c16510_2ke1 1 202 'spec=cnoesy, no=500, id=893, vol=6.961109e+07' 377 127 377 174 c16510_2ke1 1 203 'spec=cnoesy, no=508, id=900, vol=1.262169e+08' 379 127 379 174 c16510_2ke1 1 204 'spec=cnoesy, no=505, id=898, vol=7.796449e+08' 378 127 378 174 c16510_2ke1 1 205 'spec=cnoesy, no=515, id=904, vol=1.524325e+08' 382 127 382 174 c16510_2ke1 1 206 'spec=cnoesy, no=523, id=910, vol=2.403821e+08' 391 127 391 174 c16510_2ke1 1 207 'spec=cnoesy, no=525, id=912, vol=4.966875e+07' 394 127 394 174 c16510_2ke1 1 208 'spec=cnoesy, no=528, id=914, vol=1.604363e+08' 396 127 396 174 c16510_2ke1 1 209 'spec=cnoesy, no=526, id=913, vol=4.467809e+07' 395 127 395 174 c16510_2ke1 1 210 'spec=cnoesy, no=529, id=915, vol=1.340451e+08' 399 127 399 174 c16510_2ke1 1 211 'spec=cnoesy, no=530, id=916, vol=1.829582e+08' 402 127 402 174 c16510_2ke1 1 212 'spec=cnoesy, no=531, id=917, vol=7.602701e+07' 403 127 403 174 c16510_2ke1 1 213 'spec=cnoesy, no=548, id=931, vol=1.468299e+08' 405 127 405 174 c16510_2ke1 1 214 'spec=cnoesy, no=537, id=920, vol=3.894552e+07' 404 127 404 174 c16510_2ke1 1 215 'spec=cnoesy, no=551, id=932, vol=1.771028e+08' 408 127 408 174 c16510_2ke1 1 216 'spec=cnoesy, no=560, id=938, vol=2.504245e+08' 410 127 410 174 c16510_2ke1 1 217 'spec=cnoesy, no=557, id=936, vol=2.779559e+07' 409 127 409 174 c16510_2ke1 1 218 'spec=cnoesy, no=567, id=942, vol=3.080847e+08' 413 127 413 174 c16510_2ke1 1 219 'spec=cnoesy, no=569, id=943, vol=1.682097e+09' 416 127 416 174 c16510_2ke1 1 220 'spec=cnoesy, no=571, id=945, vol=3.363312e+08' 419 127 419 174 c16510_2ke1 1 221 'spec=cnoesy, no=572, id=946, vol=7.859480e+08' 422 127 422 174 c16510_2ke1 1 222 'spec=cnoesy, no=574, id=948, vol=4.746086e+08' 425 127 425 174 c16510_2ke1 1 223 'spec=cnoesy, no=577, id=950, vol=8.521554e+07' 426 127 426 174 c16510_2ke1 1 224 'spec=cnoesy, no=579, id=952, vol=4.113878e+08' 427 127 427 174 c16510_2ke1 1 225 'spec=cnoesy, no=591, id=957, vol=7.291794e+07' 428 127 428 174 c16510_2ke1 1 226 'spec=cnoesy, no=598, id=963, vol=2.594132e+08' 429 127 429 174 c16510_2ke1 1 227 'spec=cnoesy, no=599, id=964, vol=4.325964e+08' 430 127 430 174 c16510_2ke1 1 228 'spec=cnoesy, no=620, id=967, vol=5.280159e+08' 431 127 431 174 c16510_2ke1 1 229 'spec=cnoesy, no=623, id=969, vol=1.381172e+09' 432 127 432 174 c16510_2ke1 1 230 'spec=cnoesy, no=629, id=972, vol=2.221963e+08' 434 127 434 174 c16510_2ke1 1 231 'spec=cnoesy, no=625, id=971, vol=1.010108e+09' 433 127 433 174 c16510_2ke1 1 232 'spec=cnoesy, no=630, id=973, vol=2.480230e+08' 437 127 437 174 c16510_2ke1 1 233 'spec=cnoesy, no=631, id=974, vol=2.959020e+08' 440 127 440 174 c16510_2ke1 1 234 'spec=cnoesy, no=636, id=976, vol=1.120799e+08' 443 127 443 174 c16510_2ke1 1 235 'spec=cnoesy, no=637, id=977, vol=1.686407e+08' 446 127 446 174 c16510_2ke1 1 236 'spec=cnoesy, no=639, id=979, vol=1.482778e+09' 449 127 449 174 c16510_2ke1 1 237 'spec=cnoesy, no=640, id=980, vol=1.253432e+08' 458 127 458 174 c16510_2ke1 1 238 'spec=cnoesy, no=646, id=982, vol=9.630397e+07' 461 127 461 174 c16510_2ke1 1 239 'spec=cnoesy, no=654, id=989, vol=1.549390e+08' 463 127 463 174 c16510_2ke1 1 240 'spec=cnoesy, no=652, id=987, vol=2.660593e+08' 462 127 462 174 c16510_2ke1 1 241 'spec=cnoesy, no=655, id=990, vol=9.533967e+07' 466 127 466 174 c16510_2ke1 1 242 'spec=cnoesy, no=659, id=993, vol=5.717305e+07' 469 127 469 174 c16510_2ke1 1 243 'spec=cnoesy, no=665, id=994, vol=1.005438e+08' 472 127 472 174 c16510_2ke1 1 244 'spec=cnoesy, no=676, id=995, vol=2.216139e+08' 475 127 475 174 c16510_2ke1 1 245 'spec=cnoesy, no=679, id=996, vol=6.674911e+08' 476 127 476 174 c16510_2ke1 1 246 'spec=cnoesy, no=686, id=1000, vol=7.851803e+07' 478 127 478 175 c16510_2ke1 1 247 'spec=cnoesy, no=681, id=997, vol=7.395458e+07' 477 127 477 174 c16510_2ke1 1 248 'spec=cnoesy, no=693, id=1002, vol=8.219950e+08' 481 127 481 175 c16510_2ke1 1 249 'spec=cnoesy, no=694, id=1003, vol=1.313665e+08' 484 127 484 175 c16510_2ke1 1 250 'spec=cnoesy, no=698, id=1005, vol=3.890284e+08' 485 127 485 175 c16510_2ke1 1 251 'spec=cnoesy, no=699, id=1006, vol=2.079985e+08' 486 127 486 175 c16510_2ke1 1 252 'spec=cnoesy, no=700, id=1007, vol=1.255073e+08' 487 127 487 175 c16510_2ke1 1 253 'spec=cnoesy, no=702, id=1009, vol=1.960181e+08' 488 127 488 175 c16510_2ke1 1 254 'spec=cnoesy, no=705, id=1011, vol=3.844090e+08' 489 127 489 175 c16510_2ke1 1 255 'spec=cnoesy, no=706, id=1012, vol=1.804363e+08' 490 127 490 175 c16510_2ke1 1 256 'spec=cnoesy, no=709, id=1014, vol=1.716378e+08' 491 127 491 175 c16510_2ke1 1 257 'spec=cnoesy, no=710, id=1015, vol=2.546917e+08' 492 127 492 175 c16510_2ke1 1 258 'spec=cnoesy, no=711, id=1016, vol=4.495437e+07' 493 127 493 175 c16510_2ke1 1 259 'spec=cnoesy, no=720, id=1018, vol=1.162522e+08' 495 127 495 175 c16510_2ke1 1 260 'spec=cnoesy, no=712, id=1017, vol=9.697899e+07' 494 127 494 175 c16510_2ke1 1 261 'spec=cnoesy, no=722, id=1019, vol=1.447232e+09' 498 127 498 175 c16510_2ke1 1 262 'spec=cnoesy, no=723, id=1020, vol=5.043795e+08' 501 127 501 175 c16510_2ke1 1 263 'spec=cnoesy, no=732, id=1024, vol=3.854248e+08' 503 127 503 175 c16510_2ke1 1 264 'spec=cnoesy, no=725, id=1021, vol=2.860966e+08' 502 127 502 175 c16510_2ke1 1 265 'spec=cnoesy, no=733, id=1025, vol=4.632499e+08' 509 127 509 175 c16510_2ke1 1 266 'spec=cnoesy, no=737, id=1028, vol=6.374139e+07' 512 127 512 175 c16510_2ke1 1 267 'spec=cnoesy, no=740, id=1029, vol=1.033072e+08' 515 127 515 175 c16510_2ke1 1 268 'spec=cnoesy, no=742, id=1031, vol=9.905540e+08' 516 127 516 175 c16510_2ke1 1 269 'spec=cnoesy, no=746, id=1033, vol=2.597970e+08' 517 127 517 175 c16510_2ke1 1 270 'spec=cnoesy, no=747, id=1034, vol=2.040350e+08' 518 127 518 175 c16510_2ke1 1 271 'spec=cnoesy, no=749, id=1035, vol=1.498157e+09' 519 127 519 175 c16510_2ke1 1 272 'spec=cnoesy, no=756, id=1040, vol=6.672010e+07' 520 127 520 175 c16510_2ke1 1 273 'spec=cnoesy, no=760, id=1043, vol=1.348878e+08' 521 127 521 175 c16510_2ke1 1 274 'spec=cnoesy, no=765, id=1045, vol=8.916146e+08' 523 127 523 175 c16510_2ke1 1 275 'spec=cnoesy, no=761, id=1044, vol=2.823969e+09' 522 127 522 175 c16510_2ke1 1 276 'spec=cnoesy, no=769, id=1047, vol=4.251503e+07' 526 127 526 175 c16510_2ke1 1 277 'spec=cnoesy, no=775, id=1049, vol=6.962891e+08' 529 127 529 175 c16510_2ke1 1 278 'spec=cnoesy, no=779, id=1050, vol=5.023121e+08' 532 127 532 175 c16510_2ke1 1 279 'spec=cnoesy, no=787, id=1052, vol=3.738126e+09' 533 127 533 175 c16510_2ke1 1 280 'spec=cnoesy, no=790, id=1054, vol=1.622447e+08' 534 127 534 175 c16510_2ke1 1 281 'spec=cnoesy, no=796, id=1058, vol=1.349993e+08' 536 127 536 175 c16510_2ke1 1 282 'spec=cnoesy, no=791, id=1055, vol=1.715198e+08' 535 127 535 175 c16510_2ke1 1 283 'spec=cnoesy, no=810, id=1062, vol=9.587655e+08' 540 127 540 175 c16510_2ke1 1 284 'spec=cnoesy, no=800, id=1060, vol=6.892252e+08' 539 127 539 175 c16510_2ke1 1 285 'spec=cnoesy, no=811, id=1063, vol=1.062743e+09' 543 127 543 175 c16510_2ke1 1 286 'spec=cnoesy, no=817, id=1064, vol=3.441011e+08' 546 127 546 175 c16510_2ke1 1 287 'spec=cnoesy, no=819, id=1066, vol=3.548542e+08' 547 127 547 175 c16510_2ke1 1 288 'spec=cnoesy, no=821, id=1067, vol=5.478756e+07' 548 127 548 175 c16510_2ke1 1 289 'spec=cnoesy, no=822, id=1068, vol=4.066578e+08' 549 127 549 175 c16510_2ke1 1 290 'spec=cnoesy, no=823, id=1069, vol=7.945459e+08' 550 127 550 175 c16510_2ke1 1 291 'spec=cnoesy, no=825, id=1071, vol=4.790467e+08' 551 127 551 175 c16510_2ke1 1 292 'spec=cnoesy, no=830, id=1073, vol=1.017048e+09' 552 127 552 175 c16510_2ke1 1 293 'spec=cnoesy, no=833, id=1075, vol=4.984150e+07' 553 127 553 175 c16510_2ke1 1 294 'spec=cnoesy, no=834, id=1076, vol=8.845315e+07' 554 127 554 175 c16510_2ke1 1 295 'spec=cnoesy, no=852, id=1079, vol=3.713674e+08' 555 127 555 175 c16510_2ke1 1 296 'spec=cnoesy, no=855, id=1082, vol=1.531558e+08' 556 127 556 175 c16510_2ke1 1 297 'spec=cnoesy, no=858, id=1083, vol=3.267121e+09' 557 127 557 175 c16510_2ke1 1 298 'spec=cnoesy, no=859, id=1084, vol=6.165184e+08' 558 127 558 175 c16510_2ke1 1 299 'spec=cnoesy, no=860, id=1085, vol=2.154839e+08' 559 127 559 175 c16510_2ke1 1 300 'spec=cnoesy, no=863, id=1088, vol=4.247178e+07' 560 127 560 175 c16510_2ke1 1 301 'spec=cnoesy, no=864, id=1089, vol=1.021307e+08' 561 127 561 175 c16510_2ke1 1 302 'spec=cnoesy, no=873, id=1092, vol=2.046478e+08' 562 127 562 175 c16510_2ke1 1 303 'spec=cnoesy, no=874, id=1093, vol=1.215169e+08' 563 127 563 175 c16510_2ke1 1 304 'spec=cnoesy, no=875, id=1094, vol=1.610185e+08' 564 127 564 175 c16510_2ke1 1 305 'spec=cnoesy, no=876, id=1095, vol=1.489064e+08' 565 127 565 175 c16510_2ke1 1 306 'spec=cnoesy, no=878, id=1096, vol=1.822975e+08' 566 127 566 175 c16510_2ke1 1 307 'spec=cnoesy, no=880, id=1098, vol=1.276249e+09' 567 127 567 175 c16510_2ke1 1 308 'spec=cnoesy, no=891, id=1100, vol=2.948550e+08' 569 127 569 175 c16510_2ke1 1 309 'spec=cnoesy, no=883, id=1099, vol=1.457533e+08' 568 127 568 175 c16510_2ke1 1 310 'spec=cnoesy, no=892, id=1101, vol=1.260999e+08' 572 127 572 175 c16510_2ke1 1 311 'spec=cnoesy, no=893, id=1102, vol=2.144059e+08' 573 127 573 175 c16510_2ke1 1 312 'spec=cnoesy, no=895, id=1103, vol=1.928519e+08' 574 127 574 175 c16510_2ke1 1 313 'spec=cnoesy, no=897, id=1105, vol=4.469918e+08' 576 127 576 175 c16510_2ke1 1 314 'spec=cnoesy, no=896, id=1104, vol=1.728779e+08' 575 127 575 175 c16510_2ke1 1 315 'spec=cnoesy, no=899, id=1106, vol=7.126919e+07' 579 127 579 175 c16510_2ke1 1 316 'spec=cnoesy, no=901, id=1108, vol=1.365183e+08' 582 127 582 175 c16510_2ke1 1 317 'spec=cnoesy, no=907, id=1111, vol=4.384282e+07' 585 127 585 175 c16510_2ke1 1 318 'spec=cnoesy, no=908, id=1112, vol=3.015449e+07' 588 127 588 175 c16510_2ke1 1 319 'spec=cnoesy, no=909, id=1113, vol=3.565404e+07' 591 127 591 175 c16510_2ke1 1 320 'spec=cnoesy, no=920, id=1117, vol=6.128639e+08' 594 127 594 175 c16510_2ke1 1 321 'spec=cnoesy, no=922, id=1119, vol=2.631416e+08' 604 127 604 175 c16510_2ke1 1 322 'spec=cnoesy, no=921, id=1118, vol=4.369000e+07' 603 127 603 175 c16510_2ke1 1 323 'spec=cnoesy, no=932, id=1122, vol=2.058611e+08' 610 127 610 175 c16510_2ke1 1 324 'spec=cnoesyH2O, no=4, id=1130, vol=4.539805e+08' 611 127 611 176 c16510_2ke1 1 325 'spec=cnoesyH2O, no=42, id=1159, vol=6.953349e+08' 612 127 612 177 c16510_2ke1 1 326 'spec=cnoesyH2O, no=55, id=1165, vol=6.696860e+08' 613 127 613 177 c16510_2ke1 1 327 'spec=cnoesyH2O, no=56, id=1166, vol=1.316585e+08' 614 127 614 177 c16510_2ke1 1 328 'spec=cnoesyH2O, no=66, id=1173, vol=2.728346e+08' 615 127 615 177 c16510_2ke1 1 329 'spec=cnoesyH2O, no=72, id=1178, vol=7.268237e+08' 617 127 617 177 c16510_2ke1 1 330 'spec=cnoesyH2O, no=69, id=1176, vol=3.671082e+08' 616 127 616 177 c16510_2ke1 1 331 'spec=cnoesyH2O, no=79, id=1184, vol=3.705690e+09' 620 127 620 177 c16510_2ke1 1 332 'spec=cnoesyH2O, no=88, id=1189, vol=1.542748e+09' 622 127 622 177 c16510_2ke1 1 333 'spec=cnoesyH2O, no=81, id=1185, vol=2.614776e+09' 621 127 621 177 c16510_2ke1 1 334 'spec=cnoesyH2O, no=97, id=1192, vol=2.569637e+08' 625 127 625 177 c16510_2ke1 1 335 'spec=cnoesyH2O, no=99, id=1194, vol=8.205709e+07' 628 127 628 177 c16510_2ke1 1 336 'spec=cnoesyH2O, no=103, id=1198, vol=1.764767e+08' 631 127 631 178 c16510_2ke1 1 337 'spec=cnoesyH2O, no=106, id=1201, vol=3.342772e+08' 634 127 634 178 c16510_2ke1 1 338 'spec=cnoesyH2O, no=111, id=1206, vol=7.451348e+08' 637 127 637 178 c16510_2ke1 1 339 'spec=cnoesyH2O, no=114, id=1209, vol=4.956300e+08' 640 127 640 178 c16510_2ke1 1 340 'spec=cnoesyH2O, no=121, id=1213, vol=2.113584e+09' 643 127 643 178 c16510_2ke1 1 341 'spec=cnoesyH2O, no=124, id=1215, vol=1.072953e+09' 646 127 646 178 c16510_2ke1 1 342 'spec=cnoesyH2O, no=125, id=1216, vol=7.383384e+08' 649 127 649 178 c16510_2ke1 1 343 'spec=cnoesyH2O, no=131, id=1221, vol=2.978819e+08' 652 127 652 178 c16510_2ke1 1 344 'spec=cnoesyH2O, no=134, id=1223, vol=1.069666e+09' 653 127 653 178 c16510_2ke1 1 345 'spec=cnoesyH2O, no=135, id=1224, vol=8.441394e+08' 654 127 654 178 c16510_2ke1 1 346 'spec=cnoesyH2O, no=139, id=1228, vol=2.147176e+08' 655 127 655 178 c16510_2ke1 1 347 'spec=cnoesyH2O, no=141, id=1230, vol=6.018166e+08' 656 127 656 178 c16510_2ke1 1 348 'spec=cnoesyH2O, no=142, id=1231, vol=3.959392e+08' 657 127 657 178 c16510_2ke1 1 349 'spec=cnoesyH2O, no=143, id=1232, vol=4.312817e+08' 658 127 658 178 c16510_2ke1 1 350 'spec=cnoesyH2O, no=144, id=1233, vol=9.049628e+08' 659 127 659 178 c16510_2ke1 1 351 'spec=cnoesyH2O, no=150, id=1237, vol=4.289046e+08' 660 127 660 178 c16510_2ke1 1 352 'spec=cnoesyH2O, no=158, id=1242, vol=1.024690e+08' 661 127 661 178 c16510_2ke1 1 353 'spec=cnoesyH2O, no=159, id=1243, vol=6.100462e+08' 662 127 662 178 c16510_2ke1 1 354 'spec=cnoesyH2O, no=160, id=1244, vol=3.730547e+08' 663 127 663 178 c16510_2ke1 1 355 'spec=cnoesyH2O, no=165, id=1245, vol=4.293657e+08' 664 127 664 178 c16510_2ke1 1 356 'spec=cnoesyH2O, no=171, id=1250, vol=3.040936e+09' 665 127 665 178 c16510_2ke1 1 357 'spec=cnoesyH2O, no=172, id=1251, vol=5.660279e+08' 666 127 666 178 c16510_2ke1 1 358 'spec=cnoesyH2O, no=173, id=1252, vol=4.765831e+08' 667 127 667 178 c16510_2ke1 1 359 'spec=cnoesyH2O, no=178, id=1255, vol=7.953758e+08' 668 127 668 178 c16510_2ke1 1 360 'spec=cnoesyH2O, no=180, id=1256, vol=7.944531e+08' 669 127 669 178 c16510_2ke1 1 361 'spec=cnoesyH2O, no=181, id=1257, vol=7.207417e+08' 670 127 670 178 c16510_2ke1 1 362 'spec=cnoesyH2O, no=185, id=1259, vol=7.305241e+08' 671 127 671 178 c16510_2ke1 1 363 'spec=cnoesyH2O, no=188, id=1262, vol=8.574507e+08' 672 127 672 178 c16510_2ke1 1 364 'spec=cnoesyH2O, no=194, id=1265, vol=2.589184e+09' 673 127 673 178 c16510_2ke1 1 365 'spec=cnoesyH2O, no=199, id=1269, vol=8.784004e+07' 674 127 674 178 c16510_2ke1 1 366 'spec=cnoesyH2O, no=201, id=1271, vol=1.159022e+08' 675 127 675 178 c16510_2ke1 1 367 'spec=cnoesyH2O, no=207, id=1276, vol=2.202987e+08' 677 127 677 178 c16510_2ke1 1 368 'spec=cnoesyH2O, no=205, id=1275, vol=1.358734e+09' 676 127 676 178 c16510_2ke1 1 369 'spec=cnoesyH2O, no=213, id=1280, vol=1.358806e+08' 680 127 680 178 c16510_2ke1 1 370 'spec=cnoesyH2O, no=218, id=1283, vol=1.354121e+09' 681 127 681 178 c16510_2ke1 1 371 'spec=cnoesyH2O, no=220, id=1285, vol=2.049792e+09' 682 127 682 178 c16510_2ke1 1 372 'spec=cnoesyH2O, no=221, id=1286, vol=3.445554e+09' 683 127 683 178 c16510_2ke1 1 373 'spec=cnoesyH2O, no=223, id=1288, vol=1.993895e+08' 684 127 684 178 c16510_2ke1 1 374 'spec=cnoesyH2O, no=237, id=1294, vol=9.707800e+08' 685 127 685 178 c16510_2ke1 1 375 'spec=cnoesyH2O, no=239, id=1295, vol=1.532151e+09' 686 127 686 178 c16510_2ke1 1 376 'spec=cnoesyH2O, no=242, id=1297, vol=1.276173e+09' 687 127 687 178 c16510_2ke1 1 377 'spec=cnoesyH2O, no=256, id=1304, vol=4.974607e+07' 688 127 688 178 c16510_2ke1 1 378 'spec=cnoesyH2O, no=258, id=1306, vol=1.332952e+09' 689 127 689 178 c16510_2ke1 1 379 'spec=cnoesyH2O, no=260, id=1308, vol=2.571337e+09' 690 127 690 178 c16510_2ke1 1 380 'spec=cnoesyH2O, no=271, id=1313, vol=2.315050e+09' 691 127 691 178 c16510_2ke1 1 381 'spec=cnoesyH2O, no=276, id=1318, vol=1.618305e+08' 692 127 692 178 c16510_2ke1 1 382 'spec=cnoesyH2O, no=282, id=1321, vol=1.978488e+09' 693 127 693 178 c16510_2ke1 1 383 'spec=cnoesyH2O, no=286, id=1325, vol=1.938625e+08' 694 127 694 178 c16510_2ke1 1 384 'spec=cnoesyH2O, no=288, id=1326, vol=1.354374e+09' 695 127 695 178 c16510_2ke1 1 385 'spec=cnoesyH2O, no=302, id=1334, vol=7.405976e+08' 697 127 697 178 c16510_2ke1 1 386 'spec=cnoesyH2O, no=298, id=1330, vol=1.183645e+09' 696 127 696 178 c16510_2ke1 1 387 'spec=cnoesyH2O, no=307, id=1339, vol=2.159197e+09' 700 127 700 178 c16510_2ke1 1 388 'spec=cnoesyH2O, no=310, id=1341, vol=1.845921e+09' 701 127 701 178 c16510_2ke1 1 389 'spec=cnoesyH2O, no=315, id=1345, vol=3.102339e+08' 703 127 703 178 c16510_2ke1 1 390 'spec=cnoesyH2O, no=314, id=1344, vol=2.160062e+08' 702 127 702 178 c16510_2ke1 1 391 'spec=cnoesyH2O, no=316, id=1346, vol=4.178259e+08' 706 127 706 178 c16510_2ke1 1 392 'spec=cnoesyH2O, no=317, id=1347, vol=1.572895e+09' 709 127 709 178 c16510_2ke1 1 393 'spec=cnoesyH2O, no=324, id=1351, vol=1.496056e+09' 710 127 710 178 c16510_2ke1 1 394 'spec=cnoesyH2O, no=328, id=1355, vol=6.432264e+08' 712 127 712 178 c16510_2ke1 1 395 'spec=cnoesyH2O, no=325, id=1352, vol=6.904731e+07' 711 127 711 178 c16510_2ke1 1 396 'spec=cnoesyH2O, no=334, id=1359, vol=9.756922e+08' 715 127 715 178 c16510_2ke1 1 397 'spec=cnoesyH2O, no=337, id=1360, vol=4.110731e+07' 716 127 716 178 c16510_2ke1 1 398 'spec=cnoesyH2O, no=338, id=1361, vol=2.614954e+07' 717 127 717 178 c16510_2ke1 1 399 'spec=cnoesyH2O, no=342, id=1362, vol=4.508438e+08' 718 127 718 178 c16510_2ke1 1 400 'spec=cnoesyH2O, no=344, id=1363, vol=9.166788e+08' 719 127 719 178 c16510_2ke1 1 401 'spec=cnoesyH2O, no=350, id=1367, vol=1.235503e+09' 720 127 720 178 c16510_2ke1 1 402 'spec=cnoesyH2O, no=354, id=1369, vol=1.730809e+09' 722 127 722 178 c16510_2ke1 1 403 'spec=cnoesyH2O, no=351, id=1368, vol=9.848587e+08' 721 127 721 178 c16510_2ke1 1 404 'spec=cnoesyH2O, no=355, id=1370, vol=3.742397e+09' 725 127 725 178 c16510_2ke1 1 405 'spec=cnoesyH2O, no=366, id=1377, vol=2.367775e+09' 727 127 727 178 c16510_2ke1 1 406 'spec=cnoesyH2O, no=360, id=1374, vol=1.680632e+08' 726 127 726 178 c16510_2ke1 1 407 'spec=cnoesyH2O, no=367, id=1378, vol=1.403780e+09' 730 127 730 178 c16510_2ke1 1 408 'spec=cnoesyH2O, no=368, id=1379, vol=5.481782e+08' 733 127 733 178 c16510_2ke1 1 409 'spec=cnoesyH2O, no=373, id=1380, vol=1.083179e+09' 734 127 734 178 c16510_2ke1 1 410 'spec=cnoesyH2O, no=377, id=1384, vol=3.128456e+09' 735 127 735 178 c16510_2ke1 1 411 'spec=cnoesyH2O, no=380, id=1386, vol=2.098702e+09' 736 127 736 178 c16510_2ke1 1 412 'spec=cnoesyH2O, no=381, id=1387, vol=1.391621e+08' 737 127 737 178 c16510_2ke1 1 413 'spec=cnoesyH2O, no=384, id=1389, vol=4.167576e+08' 738 127 738 178 c16510_2ke1 1 414 'spec=cnoesyH2O, no=385, id=1390, vol=6.882323e+08' 739 127 739 178 c16510_2ke1 1 415 'spec=cnoesyH2O, no=391, id=1394, vol=4.025212e+08' 740 127 740 178 c16510_2ke1 1 416 'spec=cnoesyH2O, no=392, id=1395, vol=4.894200e+08' 741 127 741 178 c16510_2ke1 1 417 'spec=cnoesyH2O, no=397, id=1400, vol=1.106174e+09' 742 127 742 178 c16510_2ke1 1 418 'spec=cnoesyH2O, no=399, id=1402, vol=2.194823e+08' 743 127 743 178 c16510_2ke1 1 419 'spec=cnoesyH2O, no=402, id=1404, vol=1.310105e+09' 745 127 745 178 c16510_2ke1 1 420 'spec=cnoesyH2O, no=400, id=1403, vol=1.763058e+08' 744 127 744 178 c16510_2ke1 1 421 'spec=cnoesyH2O, no=409, id=1410, vol=5.547549e+08' 748 127 748 178 c16510_2ke1 1 422 'spec=cnoesyH2O, no=438, id=1421, vol=7.401525e+07' 749 127 749 178 c16510_2ke1 1 423 'spec=cnoesyH2O, no=440, id=1422, vol=1.275629e+08' 750 127 750 178 c16510_2ke1 1 424 'spec=cnoesyH2O, no=442, id=1424, vol=5.374190e+08' 751 127 751 178 c16510_2ke1 1 425 'spec=cnoesyH2O, no=446, id=1426, vol=1.166732e+09' 752 127 752 178 c16510_2ke1 1 426 'spec=cnoesyH2O, no=448, id=1428, vol=2.541564e+08' 753 127 753 178 c16510_2ke1 1 427 'spec=cnoesyH2O, no=449, id=1429, vol=4.082493e+07' 754 127 754 178 c16510_2ke1 1 428 'spec=cnoesyH2O, no=450, id=1430, vol=4.584926e+07' 755 127 755 178 c16510_2ke1 1 429 'spec=cnoesyH2O, no=452, id=1431, vol=1.596424e+08' 756 127 756 178 c16510_2ke1 1 430 'spec=cnoesyH2O, no=453, id=1432, vol=9.629894e+07' 757 127 757 178 c16510_2ke1 1 431 'spec=cnoesyH2O, no=456, id=1435, vol=2.670262e+08' 758 127 758 178 c16510_2ke1 1 432 'spec=cnoesyH2O, no=460, id=1439, vol=2.080379e+08' 760 127 760 178 c16510_2ke1 1 433 'spec=cnoesyH2O, no=457, id=1436, vol=1.908179e+08' 759 127 759 178 c16510_2ke1 1 434 'spec=cnoesyH2O, no=461, id=1440, vol=4.679973e+08' 763 127 763 178 c16510_2ke1 1 435 'spec=cnoesyH2O, no=463, id=1442, vol=6.444001e+07' 764 127 764 178 c16510_2ke1 1 436 'spec=cnoesyH2O, no=474, id=1448, vol=3.306559e+08' 765 127 765 178 c16510_2ke1 1 437 'spec=cnoesyH2O, no=478, id=1451, vol=4.656279e+08' 766 127 766 178 c16510_2ke1 1 438 'spec=cnoesyH2O, no=483, id=1456, vol=1.075122e+09' 768 127 768 178 c16510_2ke1 1 439 'spec=cnoesyH2O, no=481, id=1454, vol=4.396699e+08' 767 127 767 178 c16510_2ke1 1 440 'spec=cnoesyH2O, no=488, id=1458, vol=2.565820e+08' 771 127 771 178 c16510_2ke1 1 441 'spec=cnoesyH2O, no=492, id=1460, vol=5.163650e+08' 773 127 773 178 c16510_2ke1 1 442 'spec=cnoesyH2O, no=489, id=1459, vol=4.746747e+08' 772 127 772 178 c16510_2ke1 1 443 'spec=cnoesyH2O, no=493, id=1461, vol=1.786925e+08' 776 127 776 178 c16510_2ke1 1 444 'spec=cnoesyH2O, no=494, id=1462, vol=6.311141e+08' 779 127 779 178 c16510_2ke1 1 445 'spec=cnoesyH2O, no=495, id=1463, vol=3.700796e+08' 782 127 782 178 c16510_2ke1 1 446 'spec=cnoesyH2O, no=500, id=1466, vol=3.516921e+08' 785 127 785 178 c16510_2ke1 1 447 'spec=cnoesyH2O, no=501, id=1467, vol=2.855722e+08' 786 127 786 178 c16510_2ke1 1 448 'spec=cnoesyH2O, no=502, id=1468, vol=1.175303e+08' 787 127 787 178 c16510_2ke1 1 449 'spec=cnoesyH2O, no=505, id=1471, vol=5.831928e+08' 789 127 789 178 c16510_2ke1 1 450 'spec=cnoesyH2O, no=504, id=1470, vol=5.456437e+08' 788 127 788 178 c16510_2ke1 1 451 'spec=cnoesyH2O, no=506, id=1472, vol=1.434469e+09' 792 127 792 178 c16510_2ke1 1 452 'spec=cnoesyH2O, no=507, id=1473, vol=1.092168e+09' 793 127 793 178 c16510_2ke1 1 453 'spec=cnoesyH2O, no=508, id=1474, vol=6.110357e+07' 794 127 794 178 c16510_2ke1 1 454 'spec=cnoesyH2O, no=512, id=1478, vol=2.318574e+08' 795 127 795 178 c16510_2ke1 1 455 'spec=cnoesyH2O, no=513, id=1479, vol=6.375714e+08' 796 127 796 178 c16510_2ke1 1 456 'spec=cnoesyH2O, no=517, id=1483, vol=2.770898e+08' 797 127 797 178 c16510_2ke1 1 457 'spec=cnoesyH2O, no=518, id=1484, vol=4.414351e+07' 798 127 798 178 c16510_2ke1 1 458 'spec=cnoesyH2O, no=519, id=1485, vol=6.347601e+07' 799 127 799 178 c16510_2ke1 1 459 'spec=cnoesyH2O, no=520, id=1486, vol=2.612622e+08' 800 127 800 178 c16510_2ke1 1 460 'spec=cnoesyH2O, no=522, id=1488, vol=1.336808e+08' 802 127 802 178 c16510_2ke1 1 461 'spec=cnoesyH2O, no=521, id=1487, vol=4.469382e+08' 801 127 801 178 c16510_2ke1 1 462 'spec=cnoesyH2O, no=525, id=1491, vol=3.860454e+08' 805 127 805 178 c16510_2ke1 1 463 'spec=cnoesyH2O, no=526, id=1492, vol=1.606796e+08' 806 127 806 178 c16510_2ke1 1 464 'spec=cnoesyH2O, no=527, id=1493, vol=1.307984e+09' 807 127 807 178 c16510_2ke1 1 465 'spec=cnoesyH2O, no=530, id=1494, vol=2.541329e+08' 808 127 808 178 c16510_2ke1 1 466 'spec=cnoesyH2O, no=531, id=1495, vol=4.790338e+07' 809 127 809 178 c16510_2ke1 1 467 'spec=cnoesyH2O, no=532, id=1496, vol=1.333897e+08' 810 127 810 178 c16510_2ke1 1 468 'spec=cnoesyH2O, no=535, id=1499, vol=1.224767e+08' 812 127 812 178 c16510_2ke1 1 469 'spec=cnoesyH2O, no=533, id=1497, vol=1.054442e+08' 811 127 811 178 c16510_2ke1 1 470 'spec=cnoesyH2O, no=538, id=1502, vol=3.701683e+08' 815 127 815 178 c16510_2ke1 1 471 'spec=cnoesyH2O, no=546, id=1507, vol=5.452882e+08' 818 127 818 178 c16510_2ke1 1 472 'spec=cnoesyH2O, no=547, id=1508, vol=4.752670e+07' 819 127 819 178 c16510_2ke1 1 473 'spec=cnoesyH2O, no=572, id=1512, vol=5.407248e+08' 820 127 820 178 c16510_2ke1 1 474 'spec=cnoesyH2O, no=581, id=1515, vol=9.997248e+07' 821 127 821 178 c16510_2ke1 1 475 'spec=cnoesyH2O, no=583, id=1516, vol=1.069279e+08' 822 127 822 178 c16510_2ke1 1 476 'spec=cnoesyH2O, no=584, id=1517, vol=9.368868e+07' 823 127 823 178 c16510_2ke1 1 477 'spec=cnoesyH2O, no=585, id=1518, vol=6.335545e+07' 824 127 824 178 c16510_2ke1 1 478 'spec=cnoesyH2O, no=586, id=1519, vol=4.896826e+07' 825 127 825 178 c16510_2ke1 1 479 'spec=cnoesyH2O, no=587, id=1520, vol=1.743443e+08' 826 127 826 178 c16510_2ke1 1 480 'spec=cnoesyH2O, no=595, id=1523, vol=2.128864e+08' 827 127 827 178 c16510_2ke1 1 481 'spec=cnoesyH2O, no=596, id=1524, vol=4.910638e+07' 828 127 828 178 c16510_2ke1 1 482 'spec=cnoesyH2O, no=602, id=1528, vol=2.505426e+08' 830 127 830 178 c16510_2ke1 1 483 'spec=cnoesyH2O, no=597, id=1525, vol=7.087487e+07' 829 127 829 178 c16510_2ke1 1 484 'spec=cnoesyH2O, no=603, id=1529, vol=9.403535e+08' 833 127 833 178 c16510_2ke1 1 485 'spec=cnoesyH2O, no=605, id=1530, vol=2.910475e+08' 839 127 839 178 c16510_2ke1 1 486 'spec=cnoesyH2O, no=613, id=1534, vol=6.465751e+08' 842 127 842 178 c16510_2ke1 1 487 'spec=cnoesyH2O, no=614, id=1535, vol=1.467421e+08' 843 127 843 178 c16510_2ke1 1 488 'spec=cnoesyH2O, no=615, id=1536, vol=7.622022e+07' 844 127 844 178 c16510_2ke1 1 489 'spec=cnoesyH2O, no=622, id=1537, vol=3.880185e+08' 845 127 845 178 c16510_2ke1 1 490 'spec=cnoesyH2O, no=623, id=1538, vol=3.058308e+08' 846 127 846 178 c16510_2ke1 1 491 'spec=cnoesyH2O, no=624, id=1539, vol=1.756974e+08' 847 127 847 178 c16510_2ke1 1 492 'spec=cnoesyH2O, no=625, id=1540, vol=4.956795e+07' 848 127 848 178 c16510_2ke1 1 493 'spec=cnoesyH2O, no=627, id=1542, vol=4.062682e+08' 849 127 849 178 c16510_2ke1 1 494 'spec=cnoesyH2O, no=633, id=1544, vol=1.182616e+08' 851 127 851 178 c16510_2ke1 1 495 'spec=cnoesyH2O, no=628, id=1543, vol=2.013621e+08' 850 127 850 178 c16510_2ke1 1 496 'spec=cnoesyH2O, no=635, id=1545, vol=1.391821e+08' 854 127 854 178 c16510_2ke1 1 497 'spec=cnoesyH2O, no=637, id=1546, vol=9.841301e+07' 857 127 857 178 c16510_2ke1 1 498 'spec=cnoesyH2O, no=651, id=1556, vol=3.522370e+07' 861 127 861 178 c16510_2ke1 1 499 'spec=cnoesyH2O, no=642, id=1549, vol=2.354317e+07' 860 127 860 178 c16510_2ke1 1 500 'spec=cnoesyH2O, no=653, id=1558, vol=2.792779e+07' 864 127 864 178 c16510_2ke1 1 501 'spec=cnoesyH2O, no=654, id=1559, vol=2.039145e+07' 867 127 867 178 c16510_2ke1 1 502 'spec=cnoesyH2O, no=656, id=1560, vol=4.371774e+08' 870 127 870 178 c16510_2ke1 1 503 'spec=cnoesyH2O, no=657, id=1561, vol=1.541678e+08' 873 127 873 178 c16510_2ke1 1 504 'spec=cnoesyH2O, no=665, id=1568, vol=2.180287e+08' 876 127 876 178 c16510_2ke1 1 505 'spec=cnoesyH2O, no=669, id=1570, vol=6.452872e+08' 879 127 879 178 c16510_2ke1 1 506 'spec=cnoesyH2O, no=670, id=1571, vol=1.077324e+08' 880 127 880 178 c16510_2ke1 1 507 'spec=cnoesyH2O, no=674, id=1575, vol=1.249032e+08' 881 127 881 178 c16510_2ke1 1 508 'spec=cnoesyH2O, no=675, id=1576, vol=1.659521e+08' 882 127 882 178 c16510_2ke1 1 509 'spec=cnoesyH2O, no=676, id=1577, vol=5.652800e+07' 883 127 883 178 c16510_2ke1 1 510 'spec=cnoesyH2O, no=678, id=1578, vol=1.104774e+08' 884 127 884 178 c16510_2ke1 1 511 'spec=cnoesyH2O, no=679, id=1579, vol=3.203655e+08' 885 127 885 178 c16510_2ke1 1 512 'spec=cnoesyH2O, no=682, id=1582, vol=1.595318e+08' 887 127 887 178 c16510_2ke1 1 513 'spec=cnoesyH2O, no=680, id=1580, vol=3.558544e+08' 886 127 886 178 c16510_2ke1 1 514 'spec=cnoesyH2O, no=684, id=1584, vol=1.097339e+08' 889 127 889 178 c16510_2ke1 1 515 'spec=cnoesyH2O, no=687, id=1585, vol=7.981343e+07' 890 127 890 178 c16510_2ke1 1 516 'spec=cnoesyH2O, no=688, id=1586, vol=2.990691e+07' 891 127 891 178 c16510_2ke1 1 517 'spec=cnoesyH2O, no=690, id=1587, vol=3.571580e+08' 892 127 892 178 c16510_2ke1 1 518 'spec=cnoesyH2O, no=693, id=1589, vol=2.611473e+08' 893 127 893 178 c16510_2ke1 1 519 'spec=cnoesyH2O, no=694, id=1590, vol=1.793710e+08' 894 127 894 178 c16510_2ke1 1 520 'spec=cnoesyH2O, no=695, id=1591, vol=1.256812e+08' 895 127 895 178 c16510_2ke1 1 521 'spec=cnoesyH2O, no=704, id=1593, vol=1.607110e+08' 896 127 896 178 c16510_2ke1 1 522 'spec=cnoesyH2O, no=717, id=1600, vol=3.381629e+08' 897 127 897 178 c16510_2ke1 1 523 'spec=cnoesyH2O, no=718, id=1601, vol=8.029529e+08' 898 127 898 178 c16510_2ke1 1 524 'spec=cnoesyH2O, no=719, id=1602, vol=7.583380e+08' 899 127 899 178 c16510_2ke1 1 525 'spec=cnoesyH2O, no=722, id=1604, vol=2.196339e+09' 900 127 900 178 c16510_2ke1 1 526 'spec=cnoesyH2O, no=734, id=1606, vol=7.746083e+08' 901 127 901 178 c16510_2ke1 1 527 'spec=cnoesyH2O, no=742, id=1609, vol=4.405980e+08' 902 127 902 178 c16510_2ke1 1 528 'spec=cnoesyH2O, no=748, id=1611, vol=2.815649e+08' 903 127 903 178 c16510_2ke1 1 529 'spec=cnoesyH2O, no=749, id=1612, vol=3.343909e+08' 904 127 904 178 c16510_2ke1 1 530 'spec=cnoesyH2O, no=759, id=1613, vol=1.073337e+09' 905 127 905 178 c16510_2ke1 1 531 'spec=cnoesyH2O, no=761, id=1615, vol=4.490289e+08' 907 127 907 178 c16510_2ke1 1 532 'spec=cnoesyH2O, no=760, id=1614, vol=2.157144e+08' 906 127 906 178 c16510_2ke1 1 533 'spec=cnoesyH2O, no=764, id=1617, vol=6.540997e+08' 909 127 909 178 c16510_2ke1 1 534 'spec=cnoesyH2O, no=770, id=1620, vol=1.863599e+08' 912 127 912 178 c16510_2ke1 1 535 'spec=cnoesyH2O, no=778, id=1624, vol=1.536992e+09' 915 127 915 178 c16510_2ke1 1 536 'spec=cnoesyH2O, no=780, id=1626, vol=5.842804e+08' 916 127 916 178 c16510_2ke1 1 537 'spec=cnoesyH2O, no=781, id=1627, vol=8.009533e+07' 917 127 917 178 c16510_2ke1 1 538 'spec=cnoesyH2O, no=783, id=1629, vol=9.296409e+07' 919 127 919 178 c16510_2ke1 1 539 'spec=cnoesyH2O, no=782, id=1628, vol=1.430366e+08' 918 127 918 178 c16510_2ke1 1 540 'spec=cnoesyH2O, no=787, id=1632, vol=2.910554e+08' 922 127 922 178 c16510_2ke1 1 541 'spec=cnoesyH2O, no=789, id=1634, vol=5.614114e+08' 924 127 924 178 c16510_2ke1 1 542 'spec=cnoesyH2O, no=788, id=1633, vol=2.748379e+08' 923 127 923 178 c16510_2ke1 1 543 'spec=cnoesyH2O, no=795, id=1635, vol=5.113222e+08' 926 127 926 178 c16510_2ke1 1 544 'spec=cnoesyH2O, no=797, id=1636, vol=1.040028e+09' 928 127 928 178 c16510_2ke1 1 545 'spec=cnoesyH2O, no=798, id=1637, vol=3.184047e+08' 929 127 929 178 c16510_2ke1 1 546 'spec=cnoesyH2O, no=802, id=1641, vol=4.230968e+07' 931 127 931 178 c16510_2ke1 1 547 'spec=cnoesyH2O, no=801, id=1640, vol=5.345897e+07' 930 127 930 178 c16510_2ke1 1 548 'spec=cnoesyH2O, no=804, id=1643, vol=1.306275e+08' 934 127 934 178 c16510_2ke1 1 549 'spec=cnoesyH2O, no=807, id=1646, vol=2.478231e+08' 935 127 935 178 c16510_2ke1 1 550 'spec=cnoesyH2O, no=808, id=1647, vol=2.908833e+08' 936 127 936 178 c16510_2ke1 1 551 'spec=cnoesyH2O, no=809, id=1648, vol=3.194637e+08' 937 127 937 178 c16510_2ke1 1 552 'spec=cnoesyH2O, no=813, id=1651, vol=1.249471e+08' 939 127 939 178 c16510_2ke1 1 553 'spec=cnoesyH2O, no=810, id=1649, vol=2.237117e+08' 938 127 938 178 c16510_2ke1 1 554 'spec=cnoesyH2O, no=814, id=1652, vol=4.740933e+07' 942 127 942 178 c16510_2ke1 1 555 'spec=cnoesyH2O, no=815, id=1653, vol=2.746188e+08' 945 127 945 178 c16510_2ke1 1 556 'spec=cnoesyH2O, no=817, id=1655, vol=7.308324e+07' 946 127 946 178 c16510_2ke1 1 557 'spec=cnoesyH2O, no=823, id=1658, vol=1.675919e+08' 948 127 948 178 c16510_2ke1 1 558 'spec=cnoesyH2O, no=820, id=1657, vol=4.359683e+08' 947 127 947 178 c16510_2ke1 1 559 'spec=cnoesyH2O, no=829, id=1661, vol=1.207180e+08' 951 127 951 178 c16510_2ke1 1 560 'spec=cnoesyH2O, no=830, id=1662, vol=6.698849e+07' 954 127 954 178 c16510_2ke1 1 561 'spec=cnoesyH2O, no=831, id=1663, vol=7.235528e+07' 957 127 957 178 c16510_2ke1 1 562 'spec=cnoesyH2O, no=837, id=1666, vol=5.223909e+08' 960 127 960 178 c16510_2ke1 1 563 'spec=cnoesyH2O, no=838, id=1667, vol=3.788208e+08' 969 127 969 178 c16510_2ke1 1 564 'spec=cnoesyH2O, no=845, id=1670, vol=2.440870e+08' 971 127 971 178 c16510_2ke1 1 565 'spec=cnoesyH2O, no=839, id=1668, vol=2.440451e+08' 970 127 970 178 c16510_2ke1 1 566 'spec=cnoesyH2O, no=846, id=1671, vol=5.350778e+08' 974 127 974 178 c16510_2ke1 1 567 'spec=cnoesyH2O, no=864, id=1674, vol=1.992473e+08' 975 127 975 178 c16510_2ke1 1 568 'spec=cnoesyH2O, no=869, id=1678, vol=4.761901e+08' 976 127 976 178 c16510_2ke1 1 569 'spec=cnoesyH2O, no=870, id=1679, vol=2.587869e+08' 977 127 977 178 c16510_2ke1 1 570 'spec=cnoesyH2O, no=871, id=1680, vol=3.764806e+08' 978 127 978 178 c16510_2ke1 1 571 'spec=cnoesyH2O, no=875, id=1681, vol=1.139290e+09' 979 127 979 178 c16510_2ke1 1 572 'spec=cnoesyH2O, no=876, id=1682, vol=2.678773e+08' 980 127 980 178 c16510_2ke1 1 573 'spec=cnoesyH2O, no=879, id=1685, vol=6.597102e+07' 981 127 981 178 c16510_2ke1 1 574 'spec=cnoesyH2O, no=880, id=1686, vol=4.366153e+07' 982 127 982 178 c16510_2ke1 1 575 'spec=cnoesyH2O, no=881, id=1687, vol=3.526245e+08' 983 127 983 178 c16510_2ke1 1 576 'spec=cnoesyH2O, no=886, id=1690, vol=1.514483e+08' 984 127 984 178 c16510_2ke1 1 577 'spec=cnoesyH2O, no=890, id=1692, vol=3.728934e+07' 986 127 986 178 c16510_2ke1 1 578 'spec=cnoesyH2O, no=887, id=1691, vol=1.471279e+08' 985 127 985 178 c16510_2ke1 1 579 'spec=cnoesyH2O, no=891, id=1693, vol=1.151290e+08' 989 127 989 178 c16510_2ke1 1 580 'spec=cnoesyH2O, no=893, id=1695, vol=1.032857e+08' 992 127 992 178 c16510_2ke1 1 581 'spec=cnoesyH2O, no=895, id=1697, vol=4.260124e+08' 995 127 995 178 c16510_2ke1 1 582 'spec=cnoesyH2O, no=896, id=1698, vol=7.330940e+07' 998 127 998 178 c16510_2ke1 1 583 'spec=cnoesyH2O, no=900, id=1700, vol=1.722220e+08' 1001 127 1001 178 c16510_2ke1 1 584 'spec=cnoesyH2O, no=902, id=1701, vol=1.457308e+08' 1004 127 1004 178 c16510_2ke1 1 585 'spec=cnoesyH2O, no=913, id=1707, vol=3.062999e+08' 1007 127 1007 178 c16510_2ke1 1 586 'spec=cnoesyH2O, no=914, id=1708, vol=4.203645e+08' 1008 127 1008 178 c16510_2ke1 1 587 'spec=cnoesyH2O, no=917, id=1711, vol=1.222964e+08' 1009 127 1009 178 c16510_2ke1 1 588 'spec=cnoesyH2O, no=918, id=1712, vol=1.385824e+08' 1010 127 1010 178 c16510_2ke1 1 589 'spec=cnoesyH2O, no=919, id=1713, vol=1.686463e+09' 1011 127 1011 178 c16510_2ke1 1 590 'spec=cnoesyH2O, no=927, id=1715, vol=1.892413e+08' 1013 127 1013 178 c16510_2ke1 1 591 'spec=cnoesyH2O, no=926, id=1714, vol=4.918583e+08' 1012 127 1012 178 c16510_2ke1 1 592 'spec=cnoesyH2O, no=928, id=1716, vol=1.149556e+09' 1016 127 1016 178 c16510_2ke1 1 593 'spec=cnoesyH2O, no=943, id=1723, vol=2.121716e+08' 1018 127 1018 178 c16510_2ke1 1 594 'spec=cnoesyH2O, no=935, id=1720, vol=5.435790e+08' 1017 127 1017 178 c16510_2ke1 1 595 'spec=cnoesyH2O, no=946, id=1725, vol=2.300277e+08' 1021 127 1021 178 c16510_2ke1 1 596 'spec=cnoesyH2O, no=960, id=1726, vol=5.337777e+08' 1024 127 1024 178 c16510_2ke1 1 597 'spec=cnoesyH2O, no=961, id=1727, vol=1.487559e+09' 1025 127 1025 178 c16510_2ke1 1 598 'spec=cnoesyH2O, no=962, id=1728, vol=5.021671e+08' 1026 127 1026 178 c16510_2ke1 1 599 'spec=cnoesyH2O, no=967, id=1729, vol=2.277625e+08' 1027 127 1027 178 c16510_2ke1 1 600 'spec=cnoesyH2O, no=968, id=1730, vol=1.121386e+08' 1028 127 1028 178 c16510_2ke1 1 601 'spec=cnoesyH2O, no=974, id=1734, vol=1.295173e+08' 1030 127 1030 178 c16510_2ke1 1 602 'spec=cnoesyH2O, no=971, id=1732, vol=2.791518e+08' 1029 127 1029 178 c16510_2ke1 1 603 'spec=cnoesyH2O, no=980, id=1738, vol=1.281316e+09' 1033 127 1033 178 c16510_2ke1 1 604 'spec=cnoesyH2O, no=981, id=1739, vol=2.336051e+08' 1034 127 1034 178 c16510_2ke1 1 605 'spec=cnoesyH2O, no=988, id=1742, vol=6.931416e+08' 1036 127 1036 178 c16510_2ke1 1 606 'spec=cnoesyH2O, no=985, id=1740, vol=1.596184e+08' 1035 127 1035 178 c16510_2ke1 1 607 'spec=cnoesyH2O, no=990, id=1743, vol=5.150891e+08' 1039 127 1039 178 c16510_2ke1 1 608 'spec=cnoesyH2O, no=991, id=1744, vol=2.190438e+08' 1042 127 1042 178 c16510_2ke1 1 609 'spec=cnoesyH2O, no=1001, id=1748, vol=6.108347e+08' 1045 127 1045 179 c16510_2ke1 1 610 'spec=cnoesyH2O, no=1002, id=1749, vol=9.907205e+08' 1046 127 1046 179 c16510_2ke1 1 611 'spec=cnoesyH2O, no=1006, id=1752, vol=2.053978e+08' 1047 127 1047 179 c16510_2ke1 1 612 'spec=cnoesyH2O, no=1011, id=1754, vol=2.183167e+08' 1049 127 1049 179 c16510_2ke1 1 613 'spec=cnoesyH2O, no=1007, id=1753, vol=4.589094e+08' 1048 127 1048 179 c16510_2ke1 1 614 'spec=cnoesyH2O, no=1012, id=1755, vol=2.899617e+08' 1052 127 1052 179 c16510_2ke1 1 615 'spec=cnoesyH2O, no=1019, id=1756, vol=1.507028e+08' 1055 127 1055 179 c16510_2ke1 1 616 'spec=cnoesyH2O, no=1021, id=1758, vol=1.286630e+09' 1056 127 1056 179 c16510_2ke1 1 617 'spec=cnoesyH2O, no=1026, id=1763, vol=4.168036e+08' 1057 127 1057 179 c16510_2ke1 1 618 'spec=cnoesyH2O, no=1029, id=1764, vol=1.205382e+09' 1058 127 1058 179 c16510_2ke1 1 619 'spec=cnoesyH2O, no=1030, id=1765, vol=1.684738e+08' 1059 127 1059 179 c16510_2ke1 1 620 'spec=cnoesyH2O, no=1031, id=1766, vol=2.096090e+08' 1060 127 1060 179 c16510_2ke1 1 621 'spec=cnoesyH2O, no=1037, id=1771, vol=2.984590e+08' 1062 127 1062 179 c16510_2ke1 1 622 'spec=cnoesyH2O, no=1034, id=1768, vol=7.116454e+07' 1061 127 1061 179 c16510_2ke1 1 623 'spec=cnoesyH2O, no=1039, id=1772, vol=1.465994e+08' 1065 127 1065 179 c16510_2ke1 1 624 'spec=cnoesyH2O, no=1040, id=1773, vol=7.203749e+07' 1068 127 1068 179 c16510_2ke1 1 625 'spec=cnoesyH2O, no=1041, id=1774, vol=4.495748e+07' 1069 127 1069 179 c16510_2ke1 1 626 'spec=cnoesyH2O, no=1042, id=1775, vol=4.467459e+07' 1070 127 1070 179 c16510_2ke1 1 627 'spec=cnoesyH2O, no=1043, id=1776, vol=4.872871e+07' 1071 127 1071 179 c16510_2ke1 1 628 'spec=cnoesyH2O, no=1045, id=1778, vol=2.201361e+08' 1072 127 1072 179 c16510_2ke1 1 629 'spec=cnoesyH2O, no=1049, id=1781, vol=2.340308e+09' 1073 127 1073 179 c16510_2ke1 1 630 'spec=cnoesyH2O, no=1050, id=1782, vol=9.224968e+07' 1074 127 1074 179 c16510_2ke1 1 631 'spec=cnoesyH2O, no=1054, id=1784, vol=2.981214e+08' 1075 127 1075 179 c16510_2ke1 1 632 'spec=cnoesyH2O, no=1055, id=1785, vol=8.881644e+08' 1076 127 1076 179 c16510_2ke1 1 633 'spec=cnoesyH2O, no=1056, id=1786, vol=1.055712e+08' 1077 127 1077 179 c16510_2ke1 1 634 'spec=cnoesyH2O, no=1058, id=1788, vol=7.537506e+07' 1078 127 1078 179 c16510_2ke1 1 635 'spec=cnoesyH2O, no=1061, id=1790, vol=7.916231e+07' 1080 127 1080 179 c16510_2ke1 1 636 'spec=cnoesyH2O, no=1059, id=1789, vol=2.996884e+08' 1079 127 1079 179 c16510_2ke1 1 637 'spec=cnoesyH2O, no=1062, id=1791, vol=1.009379e+08' 1083 127 1083 179 c16510_2ke1 1 638 'spec=cnoesyH2O, no=1063, id=1792, vol=4.130217e+08' 1084 127 1084 179 c16510_2ke1 1 639 'spec=cnoesyH2O, no=1064, id=1793, vol=4.022243e+08' 1085 127 1085 179 c16510_2ke1 1 640 'spec=cnoesyH2O, no=1067, id=1796, vol=3.850692e+08' 1086 127 1086 179 c16510_2ke1 1 641 'spec=cnoesyH2O, no=1069, id=1798, vol=1.936393e+07' 1087 127 1087 179 c16510_2ke1 1 642 'spec=cnoesyH2O, no=1071, id=1800, vol=3.039878e+07' 1088 127 1088 179 c16510_2ke1 1 643 'spec=cnoesyH2O, no=1072, id=1801, vol=4.793046e+07' 1089 127 1089 179 c16510_2ke1 1 644 'spec=cnoesyH2O, no=1074, id=1802, vol=5.633869e+08' 1090 127 1090 179 c16510_2ke1 1 645 'spec=cnoesyH2O, no=1079, id=1805, vol=3.348399e+08' 1091 127 1091 179 c16510_2ke1 1 646 'spec=cnoesyH2O, no=1081, id=1806, vol=3.451692e+08' 1092 127 1092 179 c16510_2ke1 1 647 'spec=cnoesyH2O, no=1083, id=1807, vol=1.914180e+08' 1093 127 1093 179 c16510_2ke1 1 648 'spec=cnoesyH2O, no=1088, id=1812, vol=7.090455e+07' 1094 127 1094 179 c16510_2ke1 1 649 'spec=cnoesyH2O, no=1089, id=1813, vol=2.836503e+08' 1095 127 1095 179 c16510_2ke1 1 650 'spec=cnoesyH2O, no=1090, id=1814, vol=4.673962e+08' 1096 127 1096 179 c16510_2ke1 1 651 'spec=cnoesyH2O, no=1096, id=1817, vol=2.183225e+08' 1097 127 1097 179 c16510_2ke1 1 652 'spec=cnoesyH2O, no=1099, id=1819, vol=9.280198e+07' 1098 127 1098 179 c16510_2ke1 1 653 'spec=cnoesyH2O, no=1100, id=1820, vol=4.800431e+08' 1099 127 1099 179 c16510_2ke1 1 654 'spec=cnoesyH2O, no=1101, id=1821, vol=9.221184e+07' 1100 127 1100 179 c16510_2ke1 1 655 'spec=cnoesyH2O, no=1112, id=1823, vol=6.383544e+08' 1101 127 1101 179 c16510_2ke1 1 656 'spec=cnoesyH2O, no=1113, id=1824, vol=4.873014e+08' 1102 127 1102 179 c16510_2ke1 1 657 'spec=cnoesyH2O, no=1119, id=1827, vol=8.500593e+08' 1104 127 1104 179 c16510_2ke1 1 658 'spec=cnoesyH2O, no=1114, id=1825, vol=1.027565e+08' 1103 127 1103 179 c16510_2ke1 1 659 'spec=cnoesyH2O, no=1128, id=1830, vol=2.195611e+08' 1108 127 1108 179 c16510_2ke1 1 660 'spec=cnoesyH2O, no=1121, id=1828, vol=4.988382e+08' 1107 127 1107 179 c16510_2ke1 1 661 'spec=cnoesyH2O, no=1152, id=1838, vol=1.963105e+08' 1111 127 1111 179 c16510_2ke1 1 662 'spec=cnoesyH2O, no=1153, id=1839, vol=1.420100e+09' 1112 127 1112 179 c16510_2ke1 1 663 'spec=cnoesyH2O, no=1178, id=1843, vol=3.249867e+07' 1114 127 1114 179 c16510_2ke1 1 664 'spec=cnoesyH2O, no=1156, id=1841, vol=9.049228e+08' 1113 127 1113 179 c16510_2ke1 1 665 'spec=cnoesyH2O, no=1191, id=1845, vol=8.863931e+07' 1117 127 1117 179 c16510_2ke1 1 666 'spec=cnoesyH2O, no=1197, id=1847, vol=3.054659e+07' 1118 127 1118 179 c16510_2ke1 1 667 'spec=cnoesyH2O, no=1211, id=1850, vol=6.468346e+07' 1119 127 1119 179 c16510_2ke1 1 668 'spec=cnoesyH2O, no=1214, id=1851, vol=5.420413e+07' 1120 127 1120 179 c16510_2ke1 1 669 'spec=cnoesyH2O, no=1253, id=1859, vol=4.082434e+07' 1122 127 1122 179 c16510_2ke1 1 670 'spec=cnoesyH2O, no=1229, id=1855, vol=2.400534e+07' 1121 127 1121 179 c16510_2ke1 1 671 'spec=cnoesyH2O, no=1254, id=1860, vol=3.624811e+07' 1125 127 1125 179 c16510_2ke1 1 672 'spec=cnoesyH2O, no=1264, id=1863, vol=3.281018e+07' 1129 127 1129 179 c16510_2ke1 1 673 'spec=cnoesyH2O, no=1260, id=1862, vol=2.783245e+07' 1128 127 1128 179 c16510_2ke1 1 674 'spec=cnoesyH2O, no=1265, id=1864, vol=7.752290e+07' 1132 127 1132 179 c16510_2ke1 1 675 'spec=cnoesyH2O, no=1278, id=1867, vol=5.481915e+07' 1135 127 1135 179 c16510_2ke1 1 676 'spec=cnoesyH2O, no=1288, id=1868, vol=3.240336e+08' 1138 127 1138 179 c16510_2ke1 1 677 'spec=cnoesyH2O, no=1310, id=1874, vol=7.607669e+07' 1141 127 1141 179 c16510_2ke1 1 678 'spec=cnoesyH2O, no=1311, id=1875, vol=4.517654e+07' 1142 127 1142 179 c16510_2ke1 1 679 'spec=cnoesyH2O, no=1312, id=1876, vol=1.331176e+08' 1143 127 1143 179 c16510_2ke1 1 680 'spec=cnoesyH2O, no=1313, id=1877, vol=6.427982e+07' 1144 127 1144 179 c16510_2ke1 1 681 'spec=nnoesy, no=1, id=63, vol=9.083775e+08' 1145 127 1145 171 c16510_2ke1 1 682 'spec=nnoesy, no=2, id=64, vol=6.113461e+07' 1146 127 1146 171 c16510_2ke1 1 683 'spec=nnoesy, no=7, id=67, vol=7.931897e+08' 1147 127 1147 171 c16510_2ke1 1 684 'spec=nnoesy, no=8, id=68, vol=1.344866e+08' 1148 127 1148 171 c16510_2ke1 1 685 'spec=nnoesy, no=11, id=71, vol=3.481156e+07' 1150 127 1150 172 c16510_2ke1 1 686 'spec=nnoesy, no=10, id=70, vol=1.482011e+08' 1149 127 1149 172 c16510_2ke1 1 687 'spec=nnoesy, no=12, id=72, vol=1.476061e+08' 1153 127 1153 172 c16510_2ke1 1 688 'spec=nnoesy, no=13, id=73, vol=2.147753e+08' 1156 127 1156 172 c16510_2ke1 1 689 'spec=nnoesy, no=21, id=81, vol=1.383065e+08' 1157 127 1157 172 c16510_2ke1 1 690 'spec=nnoesy, no=24, id=84, vol=1.651617e+08' 1158 127 1158 172 c16510_2ke1 1 691 'spec=nnoesy, no=29, id=88, vol=2.363505e+08' 1159 127 1159 172 c16510_2ke1 1 692 'spec=nnoesy, no=31, id=90, vol=7.414328e+07' 1160 127 1160 172 c16510_2ke1 1 693 'spec=nnoesy, no=32, id=91, vol=7.066559e+08' 1161 127 1161 172 c16510_2ke1 1 694 'spec=nnoesy, no=33, id=92, vol=4.102670e+07' 1162 127 1162 172 c16510_2ke1 1 695 'spec=nnoesy, no=34, id=93, vol=4.550539e+07' 1163 127 1163 172 c16510_2ke1 1 696 'spec=nnoesy, no=36, id=95, vol=7.819945e+07' 1165 127 1165 172 c16510_2ke1 1 697 'spec=nnoesy, no=35, id=94, vol=1.329367e+08' 1164 127 1164 172 c16510_2ke1 1 698 'spec=nnoesy, no=40, id=99, vol=2.267136e+08' 1168 127 1168 172 c16510_2ke1 1 699 'spec=nnoesy, no=43, id=102, vol=2.223617e+08' 1170 127 1170 173 c16510_2ke1 1 700 'spec=nnoesy, no=41, id=100, vol=8.385736e+08' 1169 127 1169 173 c16510_2ke1 1 701 'spec=nnoesy, no=45, id=104, vol=3.931228e+07' 1173 127 1173 173 c16510_2ke1 1 702 'spec=nnoesy, no=47, id=105, vol=9.114287e+07' 1176 127 1176 173 c16510_2ke1 1 703 'spec=nnoesy, no=48, id=106, vol=4.917259e+07' 1177 127 1177 173 c16510_2ke1 1 704 'spec=nnoesy, no=49, id=107, vol=4.865998e+07' 1178 127 1178 173 c16510_2ke1 1 705 'spec=nnoesy, no=51, id=109, vol=6.341978e+07' 1179 127 1179 173 c16510_2ke1 1 706 'spec=nnoesy, no=52, id=110, vol=2.969326e+08' 1180 127 1180 173 c16510_2ke1 1 707 'spec=nnoesy, no=53, id=111, vol=3.514850e+08' 1181 127 1181 173 c16510_2ke1 1 708 'spec=nnoesy, no=55, id=113, vol=2.289275e+08' 1182 127 1182 173 c16510_2ke1 1 709 'spec=nnoesy, no=56, id=114, vol=2.383657e+08' 1183 127 1183 173 c16510_2ke1 1 710 'spec=nnoesy, no=58, id=116, vol=4.972652e+07' 1185 127 1185 173 c16510_2ke1 1 711 'spec=nnoesy, no=57, id=115, vol=3.968784e+07' 1184 127 1184 173 c16510_2ke1 1 712 'spec=nnoesy, no=59, id=117, vol=2.586926e+07' 1188 127 1188 173 c16510_2ke1 1 713 'spec=nnoesy, no=60, id=118, vol=1.726677e+08' 1189 127 1189 173 c16510_2ke1 1 714 'spec=nnoesy, no=63, id=119, vol=7.476565e+07' 1190 127 1190 173 c16510_2ke1 1 715 'spec=nnoesy, no=66, id=122, vol=1.571537e+08' 1191 127 1191 173 c16510_2ke1 1 716 'spec=nnoesy, no=67, id=123, vol=5.261992e+08' 1192 127 1192 173 c16510_2ke1 1 717 'spec=nnoesy, no=70, id=125, vol=6.983909e+07' 1193 127 1193 173 c16510_2ke1 1 718 'spec=nnoesy, no=73, id=126, vol=3.132744e+07' 1194 127 1194 173 c16510_2ke1 1 719 'spec=nnoesy, no=79, id=132, vol=3.256134e+07' 1195 127 1195 173 c16510_2ke1 1 720 'spec=nnoesy, no=80, id=133, vol=2.088249e+08' 1196 127 1196 173 c16510_2ke1 1 721 'spec=nnoesy, no=81, id=134, vol=8.510427e+08' 1197 127 1197 173 c16510_2ke1 1 722 'spec=nnoesy, no=84, id=137, vol=2.990231e+08' 1198 127 1198 173 c16510_2ke1 1 723 'spec=nnoesy, no=85, id=138, vol=3.009008e+07' 1199 127 1199 173 c16510_2ke1 1 724 'spec=nnoesy, no=91, id=143, vol=1.906617e+08' 1200 127 1200 173 c16510_2ke1 1 725 'spec=nnoesy, no=97, id=148, vol=4.291824e+08' 1202 127 1202 173 c16510_2ke1 1 726 'spec=nnoesy, no=93, id=145, vol=8.504278e+07' 1201 127 1201 173 c16510_2ke1 1 727 'spec=nnoesy, no=100, id=151, vol=5.110584e+08' 1205 127 1205 174 c16510_2ke1 1 728 'spec=nnoesy, no=106, id=155, vol=1.478965e+08' 1206 127 1206 174 c16510_2ke1 1 729 'spec=nnoesy, no=107, id=156, vol=1.462876e+08' 1207 127 1207 174 c16510_2ke1 1 730 'spec=nnoesy, no=108, id=157, vol=1.631118e+08' 1208 127 1208 174 c16510_2ke1 1 731 'spec=nnoesy, no=109, id=158, vol=6.948462e+07' 1209 127 1209 174 c16510_2ke1 1 732 'spec=nnoesy, no=110, id=159, vol=3.361757e+07' 1210 127 1210 174 c16510_2ke1 1 733 'spec=nnoesy, no=111, id=160, vol=4.519953e+07' 1211 127 1211 174 c16510_2ke1 1 734 'spec=nnoesy, no=114, id=163, vol=1.356925e+08' 1212 127 1212 174 c16510_2ke1 1 735 'spec=nnoesy, no=115, id=164, vol=2.157542e+08' 1213 127 1213 174 c16510_2ke1 1 736 'spec=nnoesy, no=116, id=165, vol=7.890952e+07' 1214 127 1214 174 c16510_2ke1 1 737 'spec=nnoesy, no=121, id=168, vol=7.741201e+07' 1215 127 1215 174 c16510_2ke1 1 738 'spec=nnoesy, no=123, id=169, vol=8.074453e+08' 1216 127 1216 174 c16510_2ke1 1 739 'spec=nnoesy, no=124, id=170, vol=3.768220e+08' 1217 127 1217 174 c16510_2ke1 1 740 'spec=nnoesy, no=127, id=173, vol=7.845360e+07' 1219 127 1219 174 c16510_2ke1 1 741 'spec=nnoesy, no=126, id=172, vol=2.667541e+08' 1218 127 1218 174 c16510_2ke1 1 742 'spec=nnoesy, no=129, id=175, vol=2.550249e+08' 1222 127 1222 174 c16510_2ke1 1 743 'spec=nnoesy, no=132, id=178, vol=1.481144e+08' 1223 127 1223 174 c16510_2ke1 1 744 'spec=nnoesy, no=134, id=180, vol=1.025412e+09' 1224 127 1224 174 c16510_2ke1 1 745 'spec=nnoesy, no=135, id=181, vol=4.872970e+08' 1225 127 1225 174 c16510_2ke1 1 746 'spec=nnoesy, no=137, id=183, vol=1.153783e+08' 1227 127 1227 174 c16510_2ke1 1 747 'spec=nnoesy, no=136, id=182, vol=6.820803e+08' 1226 127 1226 174 c16510_2ke1 1 748 'spec=nnoesy, no=138, id=184, vol=1.075116e+08' 1230 127 1230 174 c16510_2ke1 1 749 'spec=nnoesy, no=139, id=185, vol=3.285822e+07' 1233 127 1233 174 c16510_2ke1 1 750 'spec=nnoesy, no=140, id=186, vol=8.423127e+07' 1236 127 1236 174 c16510_2ke1 1 751 'spec=nnoesy, no=141, id=187, vol=4.908827e+07' 1237 127 1237 174 c16510_2ke1 1 752 'spec=nnoesy, no=147, id=193, vol=8.005535e+07' 1239 127 1239 174 c16510_2ke1 1 753 'spec=nnoesy, no=143, id=189, vol=2.162653e+08' 1238 127 1238 174 c16510_2ke1 1 754 'spec=nnoesy, no=148, id=194, vol=5.537915e+08' 1242 127 1242 174 c16510_2ke1 1 755 'spec=nnoesy, no=149, id=195, vol=1.229315e+08' 1243 127 1243 174 c16510_2ke1 1 756 'spec=nnoesy, no=151, id=197, vol=5.612292e+08' 1244 127 1244 174 c16510_2ke1 1 757 'spec=nnoesy, no=152, id=198, vol=6.789936e+08' 1245 127 1245 174 c16510_2ke1 1 758 'spec=nnoesy, no=154, id=200, vol=1.151251e+08' 1246 127 1246 174 c16510_2ke1 1 759 'spec=nnoesy, no=155, id=201, vol=1.759049e+08' 1247 127 1247 174 c16510_2ke1 1 760 'spec=nnoesy, no=156, id=202, vol=2.121601e+08' 1248 127 1248 174 c16510_2ke1 1 761 'spec=nnoesy, no=158, id=204, vol=2.590288e+08' 1249 127 1249 174 c16510_2ke1 1 762 'spec=nnoesy, no=159, id=205, vol=3.124068e+08' 1250 127 1250 174 c16510_2ke1 1 763 'spec=nnoesy, no=163, id=209, vol=1.394961e+08' 1251 127 1251 174 c16510_2ke1 1 764 'spec=nnoesy, no=165, id=210, vol=5.599743e+07' 1252 127 1252 174 c16510_2ke1 1 765 'spec=nnoesy, no=166, id=211, vol=1.131100e+08' 1253 127 1253 174 c16510_2ke1 1 766 'spec=nnoesy, no=167, id=212, vol=4.153040e+07' 1254 127 1254 174 c16510_2ke1 1 767 'spec=nnoesy, no=169, id=214, vol=8.847931e+07' 1255 127 1255 174 c16510_2ke1 1 768 'spec=nnoesy, no=170, id=215, vol=1.021617e+08' 1256 127 1256 174 c16510_2ke1 1 769 'spec=nnoesy, no=172, id=217, vol=3.675903e+07' 1257 127 1257 174 c16510_2ke1 1 770 'spec=nnoesy, no=175, id=220, vol=5.802822e+08' 1258 127 1258 174 c16510_2ke1 1 771 'spec=nnoesy, no=178, id=223, vol=7.710634e+07' 1259 127 1259 174 c16510_2ke1 1 772 'spec=nnoesy, no=180, id=225, vol=9.561256e+07' 1260 127 1260 174 c16510_2ke1 1 773 'spec=nnoesy, no=183, id=228, vol=5.109463e+07' 1262 127 1262 174 c16510_2ke1 1 774 'spec=nnoesy, no=182, id=227, vol=4.708925e+07' 1261 127 1261 174 c16510_2ke1 1 775 'spec=nnoesy, no=184, id=229, vol=2.546776e+08' 1265 127 1265 174 c16510_2ke1 1 776 'spec=nnoesy, no=188, id=233, vol=1.409649e+08' 1266 127 1266 174 c16510_2ke1 1 777 'spec=nnoesy, no=190, id=235, vol=1.452387e+08' 1268 127 1268 174 c16510_2ke1 1 778 'spec=nnoesy, no=189, id=234, vol=3.526228e+08' 1267 127 1267 174 c16510_2ke1 1 779 'spec=nnoesy, no=192, id=237, vol=1.554448e+08' 1271 127 1271 174 c16510_2ke1 1 780 'spec=nnoesy, no=196, id=241, vol=8.665716e+07' 1273 127 1273 174 c16510_2ke1 1 781 'spec=nnoesy, no=195, id=240, vol=4.694651e+08' 1272 127 1272 174 c16510_2ke1 1 782 'spec=nnoesy, no=197, id=242, vol=7.392404e+07' 1276 127 1276 174 c16510_2ke1 1 783 'spec=nnoesy, no=199, id=243, vol=2.556276e+08' 1277 127 1277 174 c16510_2ke1 1 784 'spec=nnoesy, no=200, id=244, vol=1.581065e+09' 1278 127 1278 174 c16510_2ke1 1 785 'spec=nnoesy, no=202, id=246, vol=1.437610e+08' 1279 127 1279 174 c16510_2ke1 1 786 'spec=nnoesy, no=207, id=251, vol=2.463448e+08' 1280 127 1280 174 c16510_2ke1 1 787 'spec=nnoesy, no=209, id=253, vol=2.736200e+08' 1281 127 1281 174 c16510_2ke1 1 788 'spec=nnoesy, no=211, id=255, vol=1.799432e+08' 1283 127 1283 174 c16510_2ke1 1 789 'spec=nnoesy, no=210, id=254, vol=6.400272e+07' 1282 127 1282 174 c16510_2ke1 1 790 'spec=nnoesy, no=221, id=263, vol=1.209130e+08' 1286 127 1286 174 c16510_2ke1 1 791 'spec=nnoesy, no=223, id=264, vol=7.542591e+07' 1287 127 1287 174 c16510_2ke1 1 792 'spec=nnoesy, no=227, id=268, vol=5.531601e+08' 1288 127 1288 174 c16510_2ke1 1 793 'spec=nnoesy, no=232, id=271, vol=5.776752e+08' 1289 127 1289 174 c16510_2ke1 1 794 'spec=nnoesy, no=234, id=273, vol=6.575362e+08' 1290 127 1290 174 c16510_2ke1 1 795 'spec=nnoesy, no=235, id=274, vol=1.153788e+09' 1291 127 1291 174 c16510_2ke1 1 796 'spec=nnoesy, no=236, id=275, vol=1.664382e+09' 1292 127 1292 174 c16510_2ke1 1 797 'spec=nnoesy, no=248, id=283, vol=8.443650e+07' 1294 127 1294 174 c16510_2ke1 1 798 'spec=nnoesy, no=245, id=281, vol=1.306737e+08' 1293 127 1293 174 c16510_2ke1 1 799 'spec=nnoesy, no=254, id=287, vol=2.223916e+08' 1296 127 1296 174 c16510_2ke1 1 800 'spec=nnoesy, no=255, id=288, vol=1.480823e+08' 1298 127 1298 174 c16510_2ke1 1 801 'spec=nnoesy, no=258, id=291, vol=2.639430e+08' 1299 127 1299 174 c16510_2ke1 1 802 'spec=nnoesy, no=261, id=294, vol=1.398605e+09' 1300 127 1300 174 c16510_2ke1 1 803 'spec=nnoesy, no=262, id=295, vol=1.846674e+09' 1301 127 1301 174 c16510_2ke1 1 804 'spec=nnoesy, no=263, id=296, vol=3.312264e+07' 1302 127 1302 174 c16510_2ke1 1 805 'spec=nnoesy, no=267, id=299, vol=9.310428e+08' 1303 127 1303 174 c16510_2ke1 1 806 'spec=nnoesy, no=268, id=300, vol=4.149107e+08' 1304 127 1304 174 c16510_2ke1 1 807 'spec=nnoesy, no=271, id=301, vol=2.370570e+08' 1305 127 1305 174 c16510_2ke1 1 808 'spec=nnoesy, no=272, id=302, vol=4.554740e+08' 1306 127 1306 174 c16510_2ke1 1 809 'spec=nnoesy, no=273, id=303, vol=4.839534e+08' 1307 127 1307 174 c16510_2ke1 1 810 'spec=nnoesy, no=275, id=304, vol=8.369428e+07' 1308 127 1308 174 c16510_2ke1 1 811 'spec=nnoesy, no=281, id=307, vol=3.536922e+08' 1310 127 1310 174 c16510_2ke1 1 812 'spec=nnoesy, no=280, id=306, vol=1.841138e+08' 1309 127 1309 174 c16510_2ke1 1 813 'spec=nnoesy, no=284, id=310, vol=4.174754e+08' 1313 127 1313 174 c16510_2ke1 1 814 'spec=nnoesy, no=291, id=315, vol=5.232651e+07' 1315 127 1315 174 c16510_2ke1 1 815 'spec=nnoesy, no=287, id=312, vol=4.907605e+08' 1314 127 1314 174 c16510_2ke1 1 816 'spec=nnoesy, no=292, id=316, vol=2.090943e+08' 1318 127 1318 174 c16510_2ke1 1 817 'spec=nnoesy, no=293, id=317, vol=7.549496e+08' 1319 127 1319 174 c16510_2ke1 1 818 'spec=nnoesy, no=295, id=319, vol=4.126830e+08' 1320 127 1320 174 c16510_2ke1 1 819 'spec=nnoesy, no=298, id=321, vol=1.487052e+08' 1321 127 1321 174 c16510_2ke1 1 820 'spec=nnoesy, no=299, id=322, vol=2.201447e+08' 1322 127 1322 174 c16510_2ke1 1 821 'spec=nnoesy, no=300, id=323, vol=1.381176e+08' 1323 127 1323 174 c16510_2ke1 1 822 'spec=nnoesy, no=303, id=326, vol=3.578819e+08' 1324 127 1324 174 c16510_2ke1 1 823 'spec=nnoesy, no=304, id=327, vol=4.077190e+07' 1325 127 1325 174 c16510_2ke1 1 824 'spec=nnoesy, no=305, id=328, vol=2.570589e+07' 1326 127 1326 174 c16510_2ke1 1 825 'spec=nnoesy, no=307, id=330, vol=1.209141e+08' 1327 127 1327 174 c16510_2ke1 1 826 'spec=nnoesy, no=309, id=332, vol=1.293330e+08' 1328 127 1328 174 c16510_2ke1 1 827 'spec=nnoesy, no=313, id=336, vol=2.636018e+07' 1330 127 1330 174 c16510_2ke1 1 828 'spec=nnoesy, no=312, id=335, vol=3.289851e+07' 1329 127 1329 174 c16510_2ke1 1 829 'spec=nnoesy, no=314, id=337, vol=7.396658e+08' 1333 127 1333 174 c16510_2ke1 1 830 'spec=nnoesy, no=315, id=338, vol=3.322560e+08' 1334 127 1334 174 c16510_2ke1 1 831 'spec=nnoesy, no=317, id=340, vol=2.175694e+08' 1335 127 1335 174 c16510_2ke1 1 832 'spec=nnoesy, no=319, id=342, vol=2.504757e+07' 1336 127 1336 174 c16510_2ke1 1 833 'spec=nnoesy, no=320, id=343, vol=3.137252e+07' 1337 127 1337 174 c16510_2ke1 1 834 'spec=nnoesy, no=322, id=345, vol=2.748179e+07' 1338 127 1338 174 c16510_2ke1 1 835 'spec=nnoesy, no=324, id=347, vol=2.793722e+08' 1339 127 1339 174 c16510_2ke1 1 836 'spec=nnoesy, no=325, id=348, vol=2.066674e+07' 1340 127 1340 174 c16510_2ke1 1 837 'spec=nnoesy, no=333, id=354, vol=7.816436e+07' 1341 127 1341 174 c16510_2ke1 1 838 'spec=nnoesy, no=334, id=355, vol=4.867617e+08' 1342 127 1342 174 c16510_2ke1 1 839 'spec=nnoesy, no=335, id=356, vol=6.113371e+07' 1343 127 1343 174 c16510_2ke1 1 840 'spec=nnoesy, no=336, id=357, vol=6.282593e+08' 1344 127 1344 174 c16510_2ke1 1 841 'spec=nnoesy, no=338, id=358, vol=3.127589e+08' 1345 127 1345 174 c16510_2ke1 1 842 'spec=nnoesy, no=339, id=359, vol=6.649139e+07' 1346 127 1346 174 c16510_2ke1 1 843 'spec=nnoesy, no=344, id=363, vol=1.991260e+07' 1348 127 1348 174 c16510_2ke1 1 844 'spec=nnoesy, no=341, id=361, vol=3.010680e+07' 1347 127 1347 174 c16510_2ke1 1 845 'spec=nnoesy, no=349, id=364, vol=3.718698e+07' 1351 127 1351 174 c16510_2ke1 1 846 'spec=nnoesy, no=350, id=365, vol=4.164020e+07' 1354 127 1354 174 c16510_2ke1 1 847 'spec=nnoesy, no=351, id=366, vol=2.952876e+07' 1355 127 1355 174 c16510_2ke1 1 848 'spec=nnoesy, no=353, id=368, vol=3.692860e+08' 1356 127 1356 174 c16510_2ke1 1 849 'spec=nnoesy, no=354, id=369, vol=7.682277e+07' 1357 127 1357 174 c16510_2ke1 1 850 'spec=nnoesy, no=355, id=370, vol=1.194209e+08' 1358 127 1358 174 c16510_2ke1 1 851 'spec=nnoesy, no=356, id=371, vol=2.925543e+07' 1359 127 1359 174 c16510_2ke1 1 852 'spec=nnoesy, no=357, id=372, vol=1.878341e+07' 1360 127 1360 174 c16510_2ke1 1 853 'spec=nnoesy, no=358, id=373, vol=2.402657e+07' 1361 127 1361 174 c16510_2ke1 1 854 'spec=nnoesy, no=359, id=374, vol=2.192386e+07' 1362 127 1362 174 c16510_2ke1 1 855 'spec=nnoesy, no=360, id=375, vol=2.420322e+07' 1363 127 1363 174 c16510_2ke1 1 856 'spec=nnoesy, no=366, id=380, vol=3.271329e+07' 1365 127 1365 174 c16510_2ke1 1 857 'spec=nnoesy, no=363, id=378, vol=3.096403e+07' 1364 127 1364 174 c16510_2ke1 1 858 'spec=nnoesy, no=368, id=382, vol=2.517728e+07' 1369 127 1369 174 c16510_2ke1 1 859 'spec=nnoesy, no=367, id=381, vol=2.897896e+07' 1368 127 1368 174 c16510_2ke1 1 860 'spec=nnoesy, no=369, id=383, vol=2.235384e+07' 1371 127 1371 174 c16510_2ke1 1 861 'spec=nnoesy, no=370, id=384, vol=4.619270e+07' 1374 127 1374 174 c16510_2ke1 1 862 'spec=nnoesy, no=371, id=385, vol=3.078812e+07' 1375 127 1375 174 c16510_2ke1 1 863 'spec=nnoesy, no=373, id=387, vol=2.814437e+07' 1376 127 1376 174 c16510_2ke1 1 864 'spec=nnoesy, no=374, id=388, vol=3.034148e+08' 1377 127 1377 174 c16510_2ke1 1 865 'spec=nnoesy, no=376, id=390, vol=9.265679e+08' 1379 127 1379 174 c16510_2ke1 1 866 'spec=nnoesy, no=375, id=389, vol=1.471238e+08' 1378 127 1378 174 c16510_2ke1 1 867 'spec=nnoesy, no=377, id=391, vol=3.256694e+07' 1382 127 1382 174 c16510_2ke1 1 868 'spec=nnoesy, no=379, id=393, vol=2.094613e+08' 1385 127 1385 174 c16510_2ke1 1 869 'spec=nnoesy, no=380, id=394, vol=2.070096e+08' 1386 127 1386 174 c16510_2ke1 1 870 'spec=nnoesy, no=381, id=395, vol=8.202781e+07' 1387 127 1387 174 c16510_2ke1 1 871 'spec=nnoesy, no=382, id=396, vol=2.244188e+07' 1388 127 1388 174 c16510_2ke1 1 872 'spec=nnoesy, no=383, id=397, vol=2.195940e+07' 1389 127 1389 174 c16510_2ke1 1 873 'spec=nnoesy, no=384, id=398, vol=3.499452e+07' 1390 127 1390 174 c16510_2ke1 1 874 'spec=nnoesy, no=386, id=400, vol=3.057181e+07' 1391 127 1391 174 c16510_2ke1 1 875 'spec=nnoesy, no=387, id=401, vol=3.176194e+07' 1392 127 1392 174 c16510_2ke1 1 876 'spec=nnoesy, no=390, id=403, vol=2.375200e+07' 1393 127 1393 174 c16510_2ke1 1 877 'spec=nnoesy, no=391, id=404, vol=1.290594e+08' 1394 127 1394 174 c16510_2ke1 1 878 'spec=nnoesy, no=392, id=405, vol=2.683276e+07' 1395 127 1395 174 c16510_2ke1 1 879 'spec=nnoesy, no=393, id=406, vol=2.483338e+07' 1396 127 1396 174 c16510_2ke1 1 880 'spec=nnoesy, no=398, id=410, vol=2.616423e+07' 1398 127 1398 174 c16510_2ke1 1 881 'spec=nnoesy, no=397, id=409, vol=3.402315e+07' 1397 127 1397 174 c16510_2ke1 1 882 'spec=nnoesy, no=399, id=411, vol=3.358825e+07' 1401 127 1401 174 c16510_2ke1 1 883 'spec=nnoesy, no=401, id=412, vol=1.516449e+08' 1404 127 1404 174 c16510_2ke1 1 884 'spec=nnoesy, no=402, id=413, vol=2.844834e+07' 1405 127 1405 174 c16510_2ke1 1 885 'spec=nnoesy, no=406, id=414, vol=1.806234e+07' 1406 127 1406 174 c16510_2ke1 1 886 'spec=nnoesy, no=407, id=415, vol=2.995921e+07' 1407 127 1407 174 c16510_2ke1 1 887 'spec=nnoesy, no=411, id=419, vol=1.046331e+08' 1408 127 1408 174 c16510_2ke1 1 888 'spec=nnoesy, no=413, id=421, vol=3.476250e+07' 1409 127 1409 174 c16510_2ke1 1 889 'spec=nnoesy, no=414, id=422, vol=2.865216e+07' 1410 127 1410 174 c16510_2ke1 1 890 'spec=nnoesy, no=415, id=423, vol=2.759779e+08' 1411 127 1411 174 c16510_2ke1 1 891 'spec=nnoesy, no=418, id=426, vol=2.539892e+08' 1412 127 1412 174 c16510_2ke1 1 892 'spec=nnoesy, no=421, id=428, vol=6.181886e+08' 1413 127 1413 174 c16510_2ke1 1 893 'spec=nnoesy, no=422, id=429, vol=2.091068e+08' 1414 127 1414 174 c16510_2ke1 1 894 'spec=nnoesy, no=423, id=430, vol=1.445598e+08' 1415 127 1415 174 c16510_2ke1 1 895 'spec=nnoesy, no=427, id=434, vol=7.217598e+08' 1416 127 1416 174 c16510_2ke1 1 896 'spec=nnoesy, no=428, id=435, vol=4.816629e+08' 1417 127 1417 174 c16510_2ke1 1 897 'spec=nnoesy, no=431, id=437, vol=6.535253e+08' 1418 127 1418 174 c16510_2ke1 1 898 'spec=nnoesy, no=432, id=438, vol=1.242132e+08' 1419 127 1419 174 c16510_2ke1 1 899 'spec=nnoesy, no=433, id=439, vol=3.299860e+08' 1420 127 1420 174 c16510_2ke1 1 900 'spec=nnoesy, no=435, id=441, vol=4.892803e+08' 1421 127 1421 174 c16510_2ke1 1 901 'spec=nnoesy, no=439, id=445, vol=4.921229e+07' 1423 127 1423 174 c16510_2ke1 1 902 'spec=nnoesy, no=438, id=444, vol=1.415437e+08' 1422 127 1422 174 c16510_2ke1 1 903 'spec=nnoesy, no=440, id=446, vol=2.801434e+08' 1426 127 1426 174 c16510_2ke1 1 904 'spec=nnoesy, no=446, id=451, vol=9.217030e+07' 1428 127 1428 174 c16510_2ke1 1 905 'spec=nnoesy, no=445, id=450, vol=6.600855e+07' 1427 127 1427 174 c16510_2ke1 1 906 'spec=nnoesy, no=447, id=452, vol=4.155296e+08' 1431 127 1431 174 c16510_2ke1 1 907 'spec=nnoesy, no=452, id=456, vol=3.005060e+07' 1433 127 1433 174 c16510_2ke1 1 908 'spec=nnoesy, no=448, id=453, vol=3.581352e+08' 1432 127 1432 174 c16510_2ke1 1 909 'spec=nnoesy, no=453, id=457, vol=4.758169e+07' 1436 127 1436 174 c16510_2ke1 1 910 'spec=nnoesy, no=457, id=458, vol=2.606383e+07' 1437 127 1437 174 c16510_2ke1 1 911 'spec=nnoesy, no=458, id=459, vol=1.304947e+07' 1438 127 1438 174 c16510_2ke1 1 912 'spec=nnoesy, no=462, id=461, vol=2.607265e+07' 1439 127 1439 174 c16510_2ke1 1 913 'spec=nnoesy, no=464, id=463, vol=1.955353e+07' 1440 127 1440 174 c16510_2ke1 1 914 'spec=nnoesy, no=465, id=464, vol=2.670578e+07' 1441 127 1441 174 c16510_2ke1 1 915 'spec=nnoesy, no=467, id=465, vol=2.853445e+07' 1442 127 1442 174 c16510_2ke1 1 916 'spec=nnoesy, no=469, id=467, vol=1.604910e+07' 1443 127 1443 174 c16510_2ke1 1 917 'spec=nnoesy, no=472, id=468, vol=2.062224e+07' 1444 127 1444 174 c16510_2ke1 1 918 'spec=nnoesy, no=474, id=470, vol=2.659923e+07' 1446 127 1446 174 c16510_2ke1 1 919 'spec=nnoesy, no=473, id=469, vol=1.880410e+07' 1445 127 1445 174 c16510_2ke1 1 920 'spec=nnoesy, no=476, id=472, vol=2.763891e+07' 1449 127 1449 174 c16510_2ke1 1 921 'spec=nnoesy, no=486, id=475, vol=3.189020e+07' 1450 127 1450 174 c16510_2ke1 1 922 'spec=nnoesy, no=487, id=476, vol=1.540355e+07' 1451 127 1451 174 c16510_2ke1 1 923 'spec=nnoesy, no=488, id=477, vol=1.623365e+07' 1452 127 1452 174 c16510_2ke1 1 924 'spec=nnoesy, no=497, id=480, vol=3.584400e+08' 1453 127 1453 174 c16510_2ke1 1 925 'spec=nnoesy, no=498, id=481, vol=1.937553e+07' 1454 127 1454 174 c16510_2ke1 1 926 'spec=nnoesy, no=499, id=482, vol=2.721415e+08' 1455 127 1455 174 c16510_2ke1 1 927 'spec=nnoesy, no=504, id=484, vol=3.718227e+07' 1456 127 1456 174 c16510_2ke1 1 928 'spec=nnoesy, no=509, id=485, vol=1.174504e+08' 1457 127 1457 174 c16510_2ke1 1 929 'spec=nnoesy, no=511, id=486, vol=2.745647e+07' 1458 127 1458 174 c16510_2ke1 1 930 'spec=nnoesy, no=512, id=487, vol=2.016728e+07' 1459 127 1459 174 c16510_2ke1 1 931 'spec=nnoesy, no=513, id=488, vol=6.873141e+06' 1460 127 1460 174 c16510_2ke1 1 932 'spec=nnoesy, no=516, id=489, vol=4.918855e+07' 1461 127 1461 174 c16510_2ke1 1 933 'spec=nnoesy, no=520, id=492, vol=2.416071e+07' 1463 127 1463 174 c16510_2ke1 1 934 'spec=nnoesy, no=519, id=491, vol=3.628070e+07' 1462 127 1462 174 c16510_2ke1 1 935 'spec=nnoesy, no=522, id=493, vol=1.070088e+08' 1465 127 1465 174 c16510_2ke1 1 936 'spec=nnoesy, no=523, id=494, vol=3.180424e+07' 1466 127 1466 174 c16510_2ke1 1 937 'spec=nnoesy, no=527, id=496, vol=2.773694e+07' 1468 127 1468 174 c16510_2ke1 1 938 'spec=nnoesy, no=524, id=495, vol=2.994606e+07' 1467 127 1467 174 c16510_2ke1 1 939 'spec=nnoesy, no=529, id=498, vol=2.744818e+07' 1471 127 1471 174 c16510_2ke1 1 940 'spec=nnoesy, no=530, id=499, vol=6.926294e+07' 1472 127 1472 174 c16510_2ke1 1 941 'spec=noes..._new, no=5, id=1879, vol=6.800000e+04' 1473 127 1473 178 c16510_2ke1 1 942 'spec=noes..._new, no=6, id=1880, vol=7.296200e+04' 1474 127 1474 178 c16510_2ke1 1 943 'spec=noes..._new, no=7, id=1881, vol=1.422000e+05' 1475 127 1475 178 c16510_2ke1 1 944 'spec=noes..._new, no=8, id=1882, vol=3.040550e+05' 1476 127 1476 178 c16510_2ke1 1 945 'spec=noes..._new, no=9, id=1883, vol=2.513440e+05' 1477 127 1477 178 c16510_2ke1 1 946 'spec=noes..._new, no=13, id=1887, vol=3.683280e+05' 1479 127 1479 179 c16510_2ke1 1 947 'spec=noes..._new, no=11, id=1885, vol=1.436160e+05' 1478 127 1478 179 c16510_2ke1 1 948 'spec=noes..._new, no=14, id=1888, vol=1.388010e+05' 1482 127 1482 179 c16510_2ke1 1 949 'spec=noes..._new, no=18, id=1889, vol=3.958480e+05' 1485 127 1485 179 c16510_2ke1 1 950 'spec=noes..._new, no=22, id=1892, vol=6.419250e+05' 1486 127 1486 179 c16510_2ke1 1 951 'spec=noes..._new, no=32, id=1901, vol=3.600300e+04' 1487 127 1487 179 c16510_2ke1 1 952 'spec=noes..._new, no=34, id=1902, vol=6.445400e+04' 1488 127 1488 179 c16510_2ke1 1 953 'spec=noes..._new, no=35, id=1903, vol=5.881600e+04' 1489 127 1489 179 c16510_2ke1 1 954 'spec=noes..._new, no=57, id=1906, vol=1.566000e+05' 1490 127 1490 179 c16510_2ke1 1 955 'spec=noes..._new, no=76, id=1912, vol=3.630950e+05' 1492 127 1492 179 c16510_2ke1 1 956 'spec=noes..._new, no=66, id=1910, vol=1.410510e+05' 1491 127 1491 179 c16510_2ke1 1 957 'spec=noes..._new, no=78, id=1913, vol=3.186510e+05' 1495 127 1495 179 c16510_2ke1 1 958 'spec=noes..._new, no=83, id=1915, vol=1.536260e+05' 1498 127 1498 179 c16510_2ke1 1 959 'spec=noes..._new, no=94, id=1917, vol=6.039300e+04' 1501 127 1501 179 c16510_2ke1 1 960 'spec=noes..._new, no=103, id=1919, vol=6.787300e+04' 1504 127 1504 180 c16510_2ke1 1 961 'spec=noes..._new, no=110, id=1921, vol=1.325030e+05' 1507 127 1507 180 c16510_2ke1 1 962 'spec=noes..._new, no=116, id=1922, vol=4.322000e+04' 1510 127 1510 180 c16510_2ke1 1 963 'spec=noes..._new, no=131, id=1927, vol=3.027610e+05' 1512 127 1512 180 c16510_2ke1 1 964 'spec=noes..._new, no=122, id=1924, vol=9.491290e+05' 1511 127 1511 180 c16510_2ke1 1 965 'spec=noes..._new, no=132, id=1928, vol=3.195930e+05' 1515 127 1515 180 c16510_2ke1 1 966 'spec=noes..._new, no=137, id=1929, vol=2.102890e+05' 1516 127 1516 180 c16510_2ke1 1 967 'spec=noesy2dxf, no=1, id=2027, vol=6.491339e+07' 1517 127 1517 176 c16510_2ke1 1 968 'spec=noesy2dxf, no=4, id=2030, vol=2.010487e+08' 1519 127 1519 176 c16510_2ke1 1 969 'spec=noesy2dxf, no=2, id=2028, vol=2.894413e+08' 1518 127 1518 176 c16510_2ke1 1 970 'spec=noesy2dxf, no=11, id=2037, vol=7.969140e+07' 1522 127 1522 177 c16510_2ke1 1 971 'spec=noesy2dxf, no=18, id=2041, vol=3.540542e+07' 1523 127 1523 177 c16510_2ke1 1 972 'spec=noesy2dxf, no=19, id=2042, vol=1.174248e+08' 1524 127 1524 177 c16510_2ke1 1 973 'spec=noesy2dxf, no=27, id=2048, vol=1.487167e+08' 1526 127 1526 177 c16510_2ke1 1 974 'spec=noesy2dxf, no=24, id=2046, vol=6.332208e+07' 1525 127 1525 177 c16510_2ke1 1 975 'spec=noesy2dxf, no=28, id=2049, vol=3.063003e+08' 1529 127 1529 177 c16510_2ke1 1 976 'spec=noesy2dxf, no=41, id=2053, vol=5.974373e+08' 1532 127 1532 177 c16510_2ke1 1 977 'spec=noesy2dxf, no=49, id=2057, vol=3.782345e+07' 1533 127 1533 177 c16510_2ke1 1 978 'spec=xf-l...ot_C, no=5, id=1937, vol=5.411870e+07' 1535 127 1535 178 c16510_2ke1 1 979 'spec=noesy2dxf, no=57, id=2060, vol=5.354317e+07' 1534 127 1534 177 c16510_2ke1 1 980 'spec=xf-l...ot_C, no=6, id=1938, vol=7.816153e+07' 1538 127 1538 178 c16510_2ke1 1 981 'spec=xf-l...ot_C, no=29, id=1945, vol=4.632460e+07' 1541 127 1541 179 c16510_2ke1 1 982 'spec=xf_l...ot_N, no=6, id=1948, vol=5.210978e+06' 1543 127 1543 178 c16510_2ke1 1 983 'spec=xf_l...ot_N, no=2, id=1947, vol=2.651568e+06' 1542 127 1542 178 c16510_2ke1 1 984 'spec=xf_l...ot_N, no=9, id=1949, vol=2.154077e+06' 1546 127 1546 178 c16510_2ke1 1 985 'spec=xf_l...ot_N, no=14, id=1950, vol=2.026139e+06' 1547 127 1547 179 c16510_2ke1 1 986 'spec=xf_n..._D2O, no=5, id=1984, vol=4.152724e+07' 1548 127 1548 178 c16510_2ke1 1 987 'spec=xf_n..._D2O, no=12, id=1986, vol=5.281506e+07' 1550 127 1550 179 c16510_2ke1 1 988 'spec=xf_n..._D2O, no=6, id=1985, vol=3.258741e+07' 1549 127 1549 178 c16510_2ke1 1 989 'spec=xf_n..._D2O, no=42, id=1993, vol=4.843319e+08' 1553 127 1553 179 c16510_2ke1 1 990 'spec=xf_n..._D2O, no=50, id=1994, vol=2.263075e+08' 1562 127 1562 179 c16510_2ke1 1 991 'spec=xf_n..._D2O, no=55, id=1997, vol=1.243597e+08' 1572 127 1572 179 c16510_2ke1 1 992 'spec=xf_n..._D2O, no=53, id=1995, vol=6.415276e+07' 1571 127 1571 179 c16510_2ke1 1 993 'spec=xf_n..._D2O, no=58, id=1999, vol=3.776091e+07' 1575 127 1575 179 c16510_2ke1 1 994 'spec=xf_n..._D2O, no=61, id=2001, vol=2.947824e+07' 1584 127 1584 179 c16510_2ke1 1 995 'spec=xf_n..._D2O, no=70, id=2002, vol=6.818258e+07' 1587 127 1587 179 c16510_2ke1 1 996 'spec=xf_n..._D2O, no=78, id=2004, vol=1.442899e+08' 1591 127 1591 179 c16510_2ke1 1 997 'spec=xf_n..._D2O, no=71, id=2003, vol=6.400907e+07' 1590 127 1590 179 c16510_2ke1 1 998 'spec=xf_n..._D2O, no=101, id=2008, vol=9.987208e+08' 1594 127 1594 180 c16510_2ke1 1 999 'spec=xf_n..._D2O, no=102, id=2009, vol=2.563097e+08' 1603 127 1603 180 c16510_2ke1 1 1000 'spec=xf_n..._D2O, no=103, id=2010, vol=1.869198e+08' 1606 127 1606 180 c16510_2ke1 1 1001 'spec=xf_p..._new, no=1, id=2011, vol=1.158378e+07' 1615 127 1615 178 c16510_2ke1 1 1002 'spec=xf_p..._new, no=8, id=2017, vol=3.465054e+07' 1624 127 1624 178 c16510_2ke1 1 1003 'spec=xf_p..._new, no=10, id=2019, vol=4.383907e+07' 1627 127 1627 179 c16510_2ke1 1 1004 'spec=xf_p..._new, no=11, id=2020, vol=1.658742e+07' 1630 127 1630 179 c16510_2ke1 1 1005 'spec=xf_p..._new, no=12, id=2021, vol=1.248985e+07' 1633 127 1633 179 c16510_2ke1 1 1006 'spec=xf_p..._new, no=14, id=2023, vol=1.142706e+07' 1636 127 1636 179 c16510_2ke1 1 1007 'spec=xf_p..._new, no=16, id=2024, vol=9.959310e+06' 1637 127 1637 179 c16510_2ke1 1 1008 'spec=xf_p..._new, no=19, id=2026, vol=9.003002e+06' 1638 127 1638 179 c16510_2ke1 1 1009 'spec=xf_p...new2, no=4, id=1978, vol=4.936407e+07' 1640 127 1640 178 c16510_2ke1 1 1010 'spec=xf_p...new2, no=2, id=1976, vol=5.480520e+07' 1639 127 1639 178 c16510_2ke1 1 1011 'spec=xf_p...new2, no=5, id=1979, vol=4.238067e+07' 1643 127 1643 178 c16510_2ke1 1 1012 'spec=xf_p...new2, no=7, id=1980, vol=2.440758e+08' 1646 127 1646 178 c16510_2ke1 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.19.HN' (nmrStar names),'B.76.HG1' (nmrStar names) not linked" c16510_2ke1 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.31.HE2' (nmrStar names) not linked" c16510_2ke1 1 3 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.20.HN' (nmrStar names),'B.74.HN' (nmrStar names) not linked" c16510_2ke1 1 4 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.22.HN' (nmrStar names),'B.72.HN' (nmrStar names) not linked" c16510_2ke1 1 5 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.22.HN' (nmrStar names),'B.70.HB2' (nmrStar names) not linked" c16510_2ke1 1 6 2 6 1 "Not handling restraint 6, item 2, resonance(s) 'A.18.HN' (nmrStar names),'B.74.HG22' (nmrStar names) not linked" c16510_2ke1 1 7 2 6 1 "Not handling restraint 6, item 3, resonance(s) 'A.18.HN' (nmrStar names),'B.74.HG21' (nmrStar names) not linked" c16510_2ke1 1 8 2 6 1 "Not handling restraint 6, item 4, resonance(s) 'A.18.HN' (nmrStar names),'B.74.HG23' (nmrStar names) not linked" c16510_2ke1 1 9 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.18.HN' (nmrStar names),'B.76.HB1' (nmrStar names) not linked" c16510_2ke1 1 10 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'B.76.HB1' (nmrStar names),'A.17.HN' (nmrStar names) not linked" c16510_2ke1 1 11 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.77.HG1' (nmrStar names) not linked" c16510_2ke1 1 12 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HG2' (nmrStar names) not linked" c16510_2ke1 1 13 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HE22' (nmrStar names) not linked" c16510_2ke1 1 14 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HE21' (nmrStar names) not linked" c16510_2ke1 1 15 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.7.HD21' (nmrStar names),'A.7.HB1' (nmrStar names) not linked" c16510_2ke1 1 16 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HD22' (nmrStar names) not linked" c16510_2ke1 1 17 2 15 1 "Not handling restraint 15, item 2, resonance(s) 'A.31.HE1' (nmrStar names),'A.20.HD21' (nmrStar names) not linked" c16510_2ke1 1 18 2 15 1 "Not handling restraint 15, item 3, resonance(s) 'A.31.HE1' (nmrStar names),'A.20.HD23' (nmrStar names) not linked" c16510_2ke1 1 19 2 15 1 "Not handling restraint 15, item 4, resonance(s) 'A.31.HE1' (nmrStar names),'A.20.HD22' (nmrStar names) not linked" c16510_2ke1 1 20 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.17.HA1' (nmrStar names) not linked" c16510_2ke1 1 21 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.16.HB2' (nmrStar names) not linked" c16510_2ke1 1 22 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.16.HB1' (nmrStar names) not linked" c16510_2ke1 1 23 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.11.HB1' (nmrStar names) not linked" c16510_2ke1 1 24 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.28.HB2' (nmrStar names) not linked" c16510_2ke1 1 25 2 21 1 "Not handling restraint 21, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.28.HG2' (nmrStar names) not linked" c16510_2ke1 1 26 2 22 1 "Not handling restraint 22, item 2, resonance(s) 'A.30.HZ' (nmrStar names),'A.12.HB2' (nmrStar names) not linked" c16510_2ke1 1 27 2 22 1 "Not handling restraint 22, item 3, resonance(s) 'A.30.HZ' (nmrStar names),'A.12.HB3' (nmrStar names) not linked" c16510_2ke1 1 28 2 22 1 "Not handling restraint 22, item 4, resonance(s) 'A.30.HZ' (nmrStar names),'A.12.HB1' (nmrStar names) not linked" c16510_2ke1 1 29 2 23 1 "Not handling restraint 23, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.47.HB2' (nmrStar names) not linked" c16510_2ke1 1 30 2 24 1 "Not handling restraint 24, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.47.HB1' (nmrStar names) not linked" c16510_2ke1 1 31 2 25 1 "Not handling restraint 25, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.43.HD2' (nmrStar names) not linked" c16510_2ke1 1 32 2 26 1 "Not handling restraint 26, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.21.HG12' (nmrStar names) not linked" c16510_2ke1 1 33 2 27 1 "Not handling restraint 27, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.43.HB2' (nmrStar names) not linked" c16510_2ke1 1 34 2 28 1 "Not handling restraint 28, item 1, resonance(s) 'A.47.HH2' (nmrStar names),'A.49.HB2' (nmrStar names) not linked" c16510_2ke1 1 35 2 29 1 "Not handling restraint 29, item 2, resonance(s) 'A.47.HH2' (nmrStar names),'A.35.HD13' (nmrStar names) not linked" c16510_2ke1 1 36 2 29 1 "Not handling restraint 29, item 3, resonance(s) 'A.47.HH2' (nmrStar names),'A.35.HD11' (nmrStar names) not linked" c16510_2ke1 1 37 2 29 1 "Not handling restraint 29, item 4, resonance(s) 'A.47.HH2' (nmrStar names),'A.35.HD12' (nmrStar names) not linked" c16510_2ke1 1 38 2 30 1 "Not handling restraint 30, item 2, resonance(s) 'A.47.HH2' (nmrStar names),'A.35.HD21' (nmrStar names) not linked" c16510_2ke1 1 39 2 30 1 "Not handling restraint 30, item 3, resonance(s) 'A.47.HH2' (nmrStar names),'A.35.HD23' (nmrStar names) not linked" c16510_2ke1 1 40 2 30 1 "Not handling restraint 30, item 4, resonance(s) 'A.47.HH2' (nmrStar names),'A.35.HD22' (nmrStar names) not linked" c16510_2ke1 1 41 2 31 1 "Not handling restraint 31, item 1, resonance(s) 'A.21.HG12' (nmrStar names),'A.47.HE3' (nmrStar names) not linked" c16510_2ke1 1 42 2 32 1 "Not handling restraint 32, item 2, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HG22' (nmrStar names) not linked" c16510_2ke1 1 43 2 32 1 "Not handling restraint 32, item 3, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HG23' (nmrStar names) not linked" c16510_2ke1 1 44 2 32 1 "Not handling restraint 32, item 4, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HG21' (nmrStar names) not linked" c16510_2ke1 1 45 2 33 1 "Not handling restraint 33, item 1, resonance(s) 'A.31.HD2' (nmrStar names),'A.31.HB1' (nmrStar names) not linked" c16510_2ke1 1 46 2 34 1 "Not handling restraint 34, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.31.HD2' (nmrStar names) not linked" c16510_2ke1 1 47 2 34 1 "Not handling restraint 34, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.31.HD2' (nmrStar names) not linked" c16510_2ke1 1 48 2 34 1 "Not handling restraint 34, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.31.HD2' (nmrStar names) not linked" c16510_2ke1 1 49 2 35 1 "Not handling restraint 35, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 50 2 35 1 "Not handling restraint 35, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 51 2 35 1 "Not handling restraint 35, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 52 2 36 1 "Not handling restraint 36, item 2, resonance(s) 'A.47.HH2' (nmrStar names),'A.30.HE1' (nmrStar names) not linked" c16510_2ke1 1 53 2 36 1 "Not handling restraint 36, item 3, resonance(s) 'A.47.HH2' (nmrStar names),'A.30.HE2' (nmrStar names) not linked" c16510_2ke1 1 54 2 37 1 "Not handling restraint 37, item 1, resonance(s) 'A.47.HH2' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 55 2 38 1 "Not handling restraint 38, item 1, resonance(s) 'A.47.HH2' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 56 2 39 1 "Not handling restraint 39, item 1, resonance(s) 'A.47.HE3' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 57 2 40 1 "Not handling restraint 40, item 2, resonance(s) 'A.30.HE1' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 58 2 40 1 "Not handling restraint 40, item 3, resonance(s) 'A.30.HE2' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 59 2 41 1 "Not handling restraint 41, item 1, resonance(s) 'A.31.HE2' (nmrStar names),'A.31.HE1' (nmrStar names) not linked" c16510_2ke1 1 60 2 42 1 "Not handling restraint 42, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.11.HN' (nmrStar names) not linked" c16510_2ke1 1 61 2 43 1 "Not handling restraint 43, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.47.HE1' (nmrStar names) not linked" c16510_2ke1 1 62 2 44 1 "Not handling restraint 44, item 1, resonance(s) 'A.31.HD2' (nmrStar names),'A.32.HN' (nmrStar names) not linked" c16510_2ke1 1 63 2 45 1 "Not handling restraint 45, item 1, resonance(s) 'A.31.HE2' (nmrStar names),'A.31.HD2' (nmrStar names) not linked" c16510_2ke1 1 64 2 46 1 "Not handling restraint 46, item 1, resonance(s) 'A.47.HZ2' (nmrStar names),'A.47.HE1' (nmrStar names) not linked" c16510_2ke1 1 65 2 47 1 "Not handling restraint 47, item 1, resonance(s) 'A.47.HB1' (nmrStar names),'A.47.HE3' (nmrStar names) not linked" c16510_2ke1 1 66 2 48 1 "Not handling restraint 48, item 2, resonance(s) 'A.47.HZ3' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 67 2 48 1 "Not handling restraint 48, item 3, resonance(s) 'A.47.HZ3' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 68 2 49 1 "Not handling restraint 49, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.48.HA' (nmrStar names) not linked" c16510_2ke1 1 69 2 50 1 "Not handling restraint 50, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.23.HN' (nmrStar names) not linked" c16510_2ke1 1 70 2 51 1 "Not handling restraint 51, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.48.HN' (nmrStar names) not linked" c16510_2ke1 1 71 2 52 1 "Not handling restraint 52, item 1, resonance(s) 'A.47.HE3' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" c16510_2ke1 1 72 2 53 1 "Not handling restraint 53, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HD1' (nmrStar names) not linked" c16510_2ke1 1 73 2 54 1 "Not handling restraint 54, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HA' (nmrStar names) not linked" c16510_2ke1 1 74 2 55 1 "Not handling restraint 55, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HB2' (nmrStar names) not linked" c16510_2ke1 1 75 2 56 1 "Not handling restraint 56, item 2, resonance(s) 'A.29.HA' (nmrStar names),'A.29.HB2' (nmrStar names) not linked" c16510_2ke1 1 76 2 56 1 "Not handling restraint 56, item 3, resonance(s) 'A.29.HA' (nmrStar names),'A.29.HB3' (nmrStar names) not linked" c16510_2ke1 1 77 2 56 1 "Not handling restraint 56, item 4, resonance(s) 'A.29.HA' (nmrStar names),'A.29.HB1' (nmrStar names) not linked" c16510_2ke1 1 78 2 57 1 "Not handling restraint 57, item 1, resonance(s) 'A.46.HA' (nmrStar names),'A.46.HB' (nmrStar names) not linked" c16510_2ke1 1 79 2 58 1 "Not handling restraint 58, item 1, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HB1' (nmrStar names) not linked" c16510_2ke1 1 80 2 59 1 "Not handling restraint 59, item 1, resonance(s) 'A.62.HA' (nmrStar names),'A.62.HB1' (nmrStar names) not linked" c16510_2ke1 1 81 2 60 1 "Not handling restraint 60, item 1, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HG' (nmrStar names) not linked" c16510_2ke1 1 82 2 61 1 "Not handling restraint 61, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 83 2 62 1 "Not handling restraint 62, item 1, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HG1' (nmrStar names) not linked" c16510_2ke1 1 84 2 63 1 "Not handling restraint 63, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 85 2 64 1 "Not handling restraint 64, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.35.HA' (nmrStar names) not linked" c16510_2ke1 1 86 2 64 1 "Not handling restraint 64, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.35.HA' (nmrStar names) not linked" c16510_2ke1 1 87 2 64 1 "Not handling restraint 64, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.35.HA' (nmrStar names) not linked" c16510_2ke1 1 88 2 65 1 "Not handling restraint 65, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.12.HA' (nmrStar names) not linked" c16510_2ke1 1 89 2 65 1 "Not handling restraint 65, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.12.HA' (nmrStar names) not linked" c16510_2ke1 1 90 2 65 1 "Not handling restraint 65, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.12.HA' (nmrStar names) not linked" c16510_2ke1 1 91 2 66 1 "Not handling restraint 66, item 1, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HB1' (nmrStar names) not linked" c16510_2ke1 1 92 2 67 1 "Not handling restraint 67, item 1, resonance(s) 'A.43.HB2' (nmrStar names),'A.43.HB1' (nmrStar names) not linked" c16510_2ke1 1 93 2 68 1 "Not handling restraint 68, item 1, resonance(s) 'A.62.HB1' (nmrStar names),'A.62.HB2' (nmrStar names) not linked" c16510_2ke1 1 94 2 69 1 "Not handling restraint 69, item 2, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HG21' (nmrStar names) not linked" c16510_2ke1 1 95 2 69 1 "Not handling restraint 69, item 3, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HG22' (nmrStar names) not linked" c16510_2ke1 1 96 2 69 1 "Not handling restraint 69, item 4, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HG23' (nmrStar names) not linked" c16510_2ke1 1 97 2 70 1 "Not handling restraint 70, item 2, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 1 98 2 70 1 "Not handling restraint 70, item 3, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 1 99 2 70 1 "Not handling restraint 70, item 4, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 1 100 2 71 1 "Not handling restraint 71, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HA' (nmrStar names) not linked" c16510_2ke1 1 101 2 71 1 "Not handling restraint 71, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HA' (nmrStar names) not linked" c16510_2ke1 1 102 2 71 1 "Not handling restraint 71, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HA' (nmrStar names) not linked" c16510_2ke1 1 103 2 72 1 "Not handling restraint 72, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.20.HB1' (nmrStar names) not linked" c16510_2ke1 1 104 2 72 1 "Not handling restraint 72, item 3, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 105 2 72 1 "Not handling restraint 72, item 4, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 106 2 73 1 "Not handling restraint 73, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HB1' (nmrStar names) not linked" c16510_2ke1 1 107 2 73 1 "Not handling restraint 73, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HB1' (nmrStar names) not linked" c16510_2ke1 1 108 2 73 1 "Not handling restraint 73, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HB1' (nmrStar names) not linked" c16510_2ke1 1 109 2 74 1 "Not handling restraint 74, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 110 2 74 1 "Not handling restraint 74, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 111 2 74 1 "Not handling restraint 74, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 112 2 75 1 "Not handling restraint 75, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 113 2 75 1 "Not handling restraint 75, item 3, resonance(s) 'A.21.HG11' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 114 2 75 1 "Not handling restraint 75, item 4, resonance(s) 'A.21.HG11' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 115 2 76 1 "Not handling restraint 76, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 116 2 76 1 "Not handling restraint 76, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 117 2 76 1 "Not handling restraint 76, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 118 2 77 1 "Not handling restraint 77, item 10, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HD22' (nmrStar names) not linked" c16510_2ke1 1 119 2 77 1 "Not handling restraint 77, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HD21' (nmrStar names) not linked" c16510_2ke1 1 120 2 77 1 "Not handling restraint 77, item 3, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HD23' (nmrStar names) not linked" c16510_2ke1 1 121 2 77 1 "Not handling restraint 77, item 4, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HD22' (nmrStar names) not linked" c16510_2ke1 1 122 2 77 1 "Not handling restraint 77, item 5, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HD21' (nmrStar names) not linked" c16510_2ke1 1 123 2 77 1 "Not handling restraint 77, item 6, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HD23' (nmrStar names) not linked" c16510_2ke1 1 124 2 77 1 "Not handling restraint 77, item 7, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HD22' (nmrStar names) not linked" c16510_2ke1 1 125 2 77 1 "Not handling restraint 77, item 8, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HD21' (nmrStar names) not linked" c16510_2ke1 1 126 2 77 1 "Not handling restraint 77, item 9, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HD23' (nmrStar names) not linked" c16510_2ke1 1 127 2 78 1 "Not handling restraint 78, item 10, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 128 2 78 1 "Not handling restraint 78, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 129 2 78 1 "Not handling restraint 78, item 3, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 130 2 78 1 "Not handling restraint 78, item 4, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 131 2 78 1 "Not handling restraint 78, item 5, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 132 2 78 1 "Not handling restraint 78, item 6, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 133 2 78 1 "Not handling restraint 78, item 7, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 134 2 78 1 "Not handling restraint 78, item 8, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 135 2 78 1 "Not handling restraint 78, item 9, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 136 2 79 1 "Not handling restraint 79, item 10, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 137 2 79 1 "Not handling restraint 79, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 138 2 79 1 "Not handling restraint 79, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 139 2 79 1 "Not handling restraint 79, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 140 2 79 1 "Not handling restraint 79, item 5, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 141 2 79 1 "Not handling restraint 79, item 6, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 142 2 79 1 "Not handling restraint 79, item 7, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 143 2 79 1 "Not handling restraint 79, item 8, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 144 2 79 1 "Not handling restraint 79, item 9, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 145 2 80 1 "Not handling restraint 80, item 2, resonance(s) 'A.46.HA' (nmrStar names),'A.46.HG22' (nmrStar names) not linked" c16510_2ke1 1 146 2 80 1 "Not handling restraint 80, item 3, resonance(s) 'A.46.HA' (nmrStar names),'A.46.HG21' (nmrStar names) not linked" c16510_2ke1 1 147 2 80 1 "Not handling restraint 80, item 4, resonance(s) 'A.46.HA' (nmrStar names),'A.46.HG23' (nmrStar names) not linked" c16510_2ke1 1 148 2 81 1 "Not handling restraint 81, item 2, resonance(s) 'A.56.HG22' (nmrStar names),'A.56.HA' (nmrStar names) not linked" c16510_2ke1 1 149 2 81 1 "Not handling restraint 81, item 3, resonance(s) 'A.56.HA' (nmrStar names),'A.56.HG21' (nmrStar names) not linked" c16510_2ke1 1 150 2 81 1 "Not handling restraint 81, item 4, resonance(s) 'A.56.HA' (nmrStar names),'A.56.HG23' (nmrStar names) not linked" c16510_2ke1 1 151 2 82 1 "Not handling restraint 82, item 1, resonance(s) 'A.52.HA' (nmrStar names),'A.52.HB2' (nmrStar names) not linked" c16510_2ke1 1 152 2 83 1 "Not handling restraint 83, item 1, resonance(s) 'A.62.HA' (nmrStar names),'A.62.HB2' (nmrStar names) not linked" c16510_2ke1 1 153 2 84 1 "Not handling restraint 84, item 1, resonance(s) 'A.22.HB2' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 154 2 85 1 "Not handling restraint 85, item 1, resonance(s) 'A.26.HB1' (nmrStar names),'A.26.HA' (nmrStar names) not linked" c16510_2ke1 1 155 2 86 1 "Not handling restraint 86, item 1, resonance(s) 'A.3.HG1' (nmrStar names),'A.3.HA' (nmrStar names) not linked" c16510_2ke1 1 156 2 87 1 "Not handling restraint 87, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 157 2 88 1 "Not handling restraint 88, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 1 158 2 89 1 "Not handling restraint 89, item 1, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HG1' (nmrStar names) not linked" c16510_2ke1 1 159 2 90 1 "Not handling restraint 90, item 1, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HG2' (nmrStar names) not linked" c16510_2ke1 1 160 2 91 1 "Not handling restraint 91, item 1, resonance(s) 'A.6.HB1' (nmrStar names),'A.6.HG1' (nmrStar names) not linked" c16510_2ke1 1 161 2 92 1 "Not handling restraint 92, item 1, resonance(s) 'A.14.HB2' (nmrStar names),'A.14.HA' (nmrStar names) not linked" c16510_2ke1 1 162 2 93 1 "Not handling restraint 93, item 1, resonance(s) 'A.14.HA' (nmrStar names),'A.14.HB1' (nmrStar names) not linked" c16510_2ke1 1 163 2 94 1 "Not handling restraint 94, item 1, resonance(s) 'A.16.HB2' (nmrStar names),'A.16.HA' (nmrStar names) not linked" c16510_2ke1 1 164 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 165 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB2' (nmrStar names) not linked" c16510_2ke1 1 166 2 97 1 "Not handling restraint 97, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 167 2 97 1 "Not handling restraint 97, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 168 2 97 1 "Not handling restraint 97, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 169 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'A.28.HG2' (nmrStar names),'A.28.HG1' (nmrStar names) not linked" c16510_2ke1 1 170 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'A.28.HD1' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 171 2 100 1 "Not handling restraint 100, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 172 2 100 1 "Not handling restraint 100, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 173 2 100 1 "Not handling restraint 100, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 174 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'A.43.HD2' (nmrStar names),'A.43.HB1' (nmrStar names) not linked" c16510_2ke1 1 175 2 102 1 "Not handling restraint 102, item 2, resonance(s) 'A.33.HA' (nmrStar names),'A.33.HB2' (nmrStar names) not linked" c16510_2ke1 1 176 2 102 1 "Not handling restraint 102, item 3, resonance(s) 'A.33.HA' (nmrStar names),'A.33.HB3' (nmrStar names) not linked" c16510_2ke1 1 177 2 102 1 "Not handling restraint 102, item 4, resonance(s) 'A.33.HA' (nmrStar names),'A.33.HB1' (nmrStar names) not linked" c16510_2ke1 1 178 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HB1' (nmrStar names) not linked" c16510_2ke1 1 179 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HB2' (nmrStar names) not linked" c16510_2ke1 1 180 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'A.15.HB2' (nmrStar names),'A.15.HG2' (nmrStar names) not linked" c16510_2ke1 1 181 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HB' (nmrStar names) not linked" c16510_2ke1 1 182 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'A.16.HB2' (nmrStar names),'A.16.HB1' (nmrStar names) not linked" c16510_2ke1 1 183 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HG1' (nmrStar names) not linked" c16510_2ke1 1 184 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HA' (nmrStar names) not linked" c16510_2ke1 1 185 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'A.28.HB2' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 186 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'A.10.HG1' (nmrStar names),'A.10.HB2' (nmrStar names) not linked" c16510_2ke1 1 187 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 188 2 113 1 "Not handling restraint 113, item 1, resonance(s) 'A.15.HB2' (nmrStar names),'A.15.HA' (nmrStar names) not linked" c16510_2ke1 1 189 2 114 1 "Not handling restraint 114, item 1, resonance(s) 'A.17.HA1' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 190 2 115 1 "Not handling restraint 115, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB1' (nmrStar names) not linked" c16510_2ke1 1 191 2 116 1 "Not handling restraint 116, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HG1' (nmrStar names) not linked" c16510_2ke1 1 192 2 117 1 "Not handling restraint 117, item 10, resonance(s) 'A.20.HD22' (nmrStar names),'A.29.HB1' (nmrStar names) not linked" c16510_2ke1 1 193 2 117 1 "Not handling restraint 117, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.29.HB2' (nmrStar names) not linked" c16510_2ke1 1 194 2 117 1 "Not handling restraint 117, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.29.HB2' (nmrStar names) not linked" c16510_2ke1 1 195 2 117 1 "Not handling restraint 117, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.29.HB2' (nmrStar names) not linked" c16510_2ke1 1 196 2 117 1 "Not handling restraint 117, item 5, resonance(s) 'A.20.HD21' (nmrStar names),'A.29.HB3' (nmrStar names) not linked" c16510_2ke1 1 197 2 117 1 "Not handling restraint 117, item 6, resonance(s) 'A.20.HD23' (nmrStar names),'A.29.HB3' (nmrStar names) not linked" c16510_2ke1 1 198 2 117 1 "Not handling restraint 117, item 7, resonance(s) 'A.20.HD22' (nmrStar names),'A.29.HB3' (nmrStar names) not linked" c16510_2ke1 1 199 2 117 1 "Not handling restraint 117, item 8, resonance(s) 'A.20.HD21' (nmrStar names),'A.29.HB1' (nmrStar names) not linked" c16510_2ke1 1 200 2 117 1 "Not handling restraint 117, item 9, resonance(s) 'A.20.HD23' (nmrStar names),'A.29.HB1' (nmrStar names) not linked" c16510_2ke1 1 201 2 118 1 "Not handling restraint 118, item 1, resonance(s) 'A.21.HG11' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 202 2 119 1 "Not handling restraint 119, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 203 2 119 1 "Not handling restraint 119, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 204 2 119 1 "Not handling restraint 119, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 205 2 120 1 "Not handling restraint 120, item 1, resonance(s) 'A.36.HA' (nmrStar names),'A.36.HB1' (nmrStar names) not linked" c16510_2ke1 1 206 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'A.36.HA' (nmrStar names),'A.36.HB2' (nmrStar names) not linked" c16510_2ke1 1 207 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'A.37.HD2' (nmrStar names),'A.37.HG1' (nmrStar names) not linked" c16510_2ke1 1 208 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'A.37.HD2' (nmrStar names),'A.37.HG2' (nmrStar names) not linked" c16510_2ke1 1 209 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'A.37.HG2' (nmrStar names),'A.37.HB2' (nmrStar names) not linked" c16510_2ke1 1 210 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'A.43.HD1' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 211 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'A.43.HB2' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 212 2 127 1 "Not handling restraint 127, item 1, resonance(s) 'A.43.HB2' (nmrStar names),'A.43.HG1' (nmrStar names) not linked" c16510_2ke1 1 213 2 128 1 "Not handling restraint 128, item 1, resonance(s) 'A.43.HD1' (nmrStar names),'A.43.HG1' (nmrStar names) not linked" c16510_2ke1 1 214 2 129 1 "Not handling restraint 129, item 1, resonance(s) 'A.43.HG1' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 1 215 2 130 1 "Not handling restraint 130, item 1, resonance(s) 'A.43.HG2' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 1 216 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'A.43.HD1' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 1 217 2 132 1 "Not handling restraint 132, item 1, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HB1' (nmrStar names) not linked" c16510_2ke1 1 218 2 133 1 "Not handling restraint 133, item 1, resonance(s) 'A.48.HG1' (nmrStar names),'A.48.HD2' (nmrStar names) not linked" c16510_2ke1 1 219 2 134 1 "Not handling restraint 134, item 2, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HD13' (nmrStar names) not linked" c16510_2ke1 1 220 2 134 1 "Not handling restraint 134, item 3, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HD11' (nmrStar names) not linked" c16510_2ke1 1 221 2 134 1 "Not handling restraint 134, item 4, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HD12' (nmrStar names) not linked" c16510_2ke1 1 222 2 135 1 "Not handling restraint 135, item 1, resonance(s) 'A.54.HG2' (nmrStar names),'A.54.HA' (nmrStar names) not linked" c16510_2ke1 1 223 2 136 1 "Not handling restraint 136, item 1, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HG1' (nmrStar names) not linked" c16510_2ke1 1 224 2 137 1 "Not handling restraint 137, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.61.HG2' (nmrStar names) not linked" c16510_2ke1 1 225 2 138 1 "Not handling restraint 138, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.61.HG1' (nmrStar names) not linked" c16510_2ke1 1 226 2 139 1 "Not handling restraint 139, item 1, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HB1' (nmrStar names) not linked" c16510_2ke1 1 227 2 140 1 "Not handling restraint 140, item 1, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HB2' (nmrStar names) not linked" c16510_2ke1 1 228 2 141 1 "Not handling restraint 141, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 229 2 141 1 "Not handling restraint 141, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 230 2 141 1 "Not handling restraint 141, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 231 2 142 1 "Not handling restraint 142, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 232 2 142 1 "Not handling restraint 142, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 233 2 142 1 "Not handling restraint 142, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 234 2 143 1 "Not handling restraint 143, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 235 2 143 1 "Not handling restraint 143, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 236 2 143 1 "Not handling restraint 143, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 237 2 144 1 "Not handling restraint 144, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 238 2 145 1 "Not handling restraint 145, item 1, resonance(s) 'A.12.HA' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 239 2 146 1 "Not handling restraint 146, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 240 2 146 1 "Not handling restraint 146, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 241 2 146 1 "Not handling restraint 146, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 242 2 147 1 "Not handling restraint 147, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 243 2 147 1 "Not handling restraint 147, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 244 2 147 1 "Not handling restraint 147, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 245 2 148 1 "Not handling restraint 148, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.28.HG1' (nmrStar names) not linked" c16510_2ke1 1 246 2 148 1 "Not handling restraint 148, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.28.HG1' (nmrStar names) not linked" c16510_2ke1 1 247 2 148 1 "Not handling restraint 148, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.28.HG1' (nmrStar names) not linked" c16510_2ke1 1 248 2 149 1 "Not handling restraint 149, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 249 2 150 1 "Not handling restraint 150, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 250 2 150 1 "Not handling restraint 150, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 251 2 150 1 "Not handling restraint 150, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 252 2 151 1 "Not handling restraint 151, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 253 2 151 1 "Not handling restraint 151, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 254 2 151 1 "Not handling restraint 151, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 255 2 152 1 "Not handling restraint 152, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.17.HA1' (nmrStar names) not linked" c16510_2ke1 1 256 2 152 1 "Not handling restraint 152, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.17.HA1' (nmrStar names) not linked" c16510_2ke1 1 257 2 152 1 "Not handling restraint 152, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.17.HA1' (nmrStar names) not linked" c16510_2ke1 1 258 2 153 1 "Not handling restraint 153, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 259 2 153 1 "Not handling restraint 153, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 260 2 153 1 "Not handling restraint 153, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 261 2 154 1 "Not handling restraint 154, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.11.HB1' (nmrStar names) not linked" c16510_2ke1 1 262 2 154 1 "Not handling restraint 154, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.11.HB1' (nmrStar names) not linked" c16510_2ke1 1 263 2 154 1 "Not handling restraint 154, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.11.HB1' (nmrStar names) not linked" c16510_2ke1 1 264 2 155 1 "Not handling restraint 155, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 265 2 155 1 "Not handling restraint 155, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 266 2 155 1 "Not handling restraint 155, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 267 2 156 1 "Not handling restraint 156, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.29.HA' (nmrStar names) not linked" c16510_2ke1 1 268 2 156 1 "Not handling restraint 156, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.29.HA' (nmrStar names) not linked" c16510_2ke1 1 269 2 156 1 "Not handling restraint 156, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.29.HA' (nmrStar names) not linked" c16510_2ke1 1 270 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HB2' (nmrStar names) not linked" c16510_2ke1 1 271 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'A.10.HA' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 272 2 159 1 "Not handling restraint 159, item 1, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HB2' (nmrStar names) not linked" c16510_2ke1 1 273 2 160 1 "Not handling restraint 160, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 274 2 160 1 "Not handling restraint 160, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 275 2 160 1 "Not handling restraint 160, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 276 2 161 1 "Not handling restraint 161, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 277 2 161 1 "Not handling restraint 161, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 278 2 161 1 "Not handling restraint 161, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 279 2 162 1 "Not handling restraint 162, item 2, resonance(s) 'A.47.HB2' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 280 2 162 1 "Not handling restraint 162, item 3, resonance(s) 'A.47.HB2' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 281 2 162 1 "Not handling restraint 162, item 4, resonance(s) 'A.47.HB2' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 282 2 163 1 "Not handling restraint 163, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 283 2 163 1 "Not handling restraint 163, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 284 2 163 1 "Not handling restraint 163, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 285 2 164 1 "Not handling restraint 164, item 2, resonance(s) 'A.47.HD1' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 286 2 164 1 "Not handling restraint 164, item 3, resonance(s) 'A.47.HD1' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 287 2 164 1 "Not handling restraint 164, item 4, resonance(s) 'A.47.HD1' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 288 2 165 1 "Not handling restraint 165, item 2, resonance(s) 'A.47.HB1' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 289 2 165 1 "Not handling restraint 165, item 3, resonance(s) 'A.47.HB1' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 290 2 165 1 "Not handling restraint 165, item 4, resonance(s) 'A.47.HB1' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 291 2 166 1 "Not handling restraint 166, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 292 2 166 1 "Not handling restraint 166, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 293 2 166 1 "Not handling restraint 166, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 294 2 166 1 "Not handling restraint 166, item 5, resonance(s) 'A.21.HG22' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 295 2 166 1 "Not handling restraint 166, item 6, resonance(s) 'A.21.HG23' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 296 2 166 1 "Not handling restraint 166, item 7, resonance(s) 'A.21.HG21' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 297 2 167 1 "Not handling restraint 167, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 298 2 167 1 "Not handling restraint 167, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 299 2 167 1 "Not handling restraint 167, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 300 2 168 1 "Not handling restraint 168, item 2, resonance(s) 'A.47.HH2' (nmrStar names),'A.21.HG22' (nmrStar names) not linked" c16510_2ke1 1 301 2 168 1 "Not handling restraint 168, item 3, resonance(s) 'A.47.HH2' (nmrStar names),'A.21.HG23' (nmrStar names) not linked" c16510_2ke1 1 302 2 168 1 "Not handling restraint 168, item 4, resonance(s) 'A.47.HH2' (nmrStar names),'A.21.HG21' (nmrStar names) not linked" c16510_2ke1 1 303 2 169 1 "Not handling restraint 169, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 304 2 169 1 "Not handling restraint 169, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 305 2 169 1 "Not handling restraint 169, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 306 2 170 1 "Not handling restraint 170, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 307 2 170 1 "Not handling restraint 170, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 308 2 170 1 "Not handling restraint 170, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 309 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" c16510_2ke1 1 310 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'A.26.HA' (nmrStar names),'A.27.HD1' (nmrStar names) not linked" c16510_2ke1 1 311 2 173 1 "Not handling restraint 173, item 1, resonance(s) 'A.26.HA' (nmrStar names),'A.27.HD2' (nmrStar names) not linked" c16510_2ke1 1 312 2 174 1 "Not handling restraint 174, item 1, resonance(s) 'A.27.HB2' (nmrStar names),'A.27.HA' (nmrStar names) not linked" c16510_2ke1 1 313 2 175 1 "Not handling restraint 175, item 1, resonance(s) 'A.26.HB1' (nmrStar names),'A.27.HD1' (nmrStar names) not linked" c16510_2ke1 1 314 2 176 1 "Not handling restraint 176, item 1, resonance(s) 'A.27.HD1' (nmrStar names),'A.27.HB2' (nmrStar names) not linked" c16510_2ke1 1 315 2 177 1 "Not handling restraint 177, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.27.HB2' (nmrStar names) not linked" c16510_2ke1 1 316 2 178 1 "Not handling restraint 178, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.27.HA' (nmrStar names) not linked" c16510_2ke1 1 317 2 179 1 "Not handling restraint 179, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 318 2 180 1 "Not handling restraint 180, item 1, resonance(s) 'A.28.HG1' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 319 2 181 1 "Not handling restraint 181, item 1, resonance(s) 'A.28.HB2' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 320 2 182 1 "Not handling restraint 182, item 1, resonance(s) 'A.29.HA' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 321 2 183 1 "Not handling restraint 183, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 322 2 183 1 "Not handling restraint 183, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 323 2 183 1 "Not handling restraint 183, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 324 2 184 1 "Not handling restraint 184, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 325 2 184 1 "Not handling restraint 184, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 326 2 184 1 "Not handling restraint 184, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 327 2 185 1 "Not handling restraint 185, item 10, resonance(s) 'A.29.HB1' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 328 2 185 1 "Not handling restraint 185, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 329 2 185 1 "Not handling restraint 185, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 330 2 185 1 "Not handling restraint 185, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 331 2 185 1 "Not handling restraint 185, item 5, resonance(s) 'A.29.HB2' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 332 2 185 1 "Not handling restraint 185, item 6, resonance(s) 'A.29.HB3' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 333 2 185 1 "Not handling restraint 185, item 7, resonance(s) 'A.29.HB1' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 334 2 185 1 "Not handling restraint 185, item 8, resonance(s) 'A.29.HB2' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 335 2 185 1 "Not handling restraint 185, item 9, resonance(s) 'A.29.HB3' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 336 2 186 1 "Not handling restraint 186, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 337 2 186 1 "Not handling restraint 186, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 338 2 187 1 "Not handling restraint 187, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 339 2 187 1 "Not handling restraint 187, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 340 2 187 1 "Not handling restraint 187, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 341 2 188 1 "Not handling restraint 188, item 1, resonance(s) 'A.35.HG' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 342 2 189 1 "Not handling restraint 189, item 1, resonance(s) 'A.31.HD2' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 343 2 190 1 "Not handling restraint 190, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 344 2 190 1 "Not handling restraint 190, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 345 2 190 1 "Not handling restraint 190, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 346 2 191 1 "Not handling restraint 191, item 2, resonance(s) 'A.41.HA' (nmrStar names),'A.32.HD13' (nmrStar names) not linked" c16510_2ke1 1 347 2 191 1 "Not handling restraint 191, item 3, resonance(s) 'A.41.HA' (nmrStar names),'A.32.HD11' (nmrStar names) not linked" c16510_2ke1 1 348 2 191 1 "Not handling restraint 191, item 4, resonance(s) 'A.41.HA' (nmrStar names),'A.32.HD12' (nmrStar names) not linked" c16510_2ke1 1 349 2 192 1 "Not handling restraint 192, item 2, resonance(s) 'A.41.HA' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 350 2 192 1 "Not handling restraint 192, item 3, resonance(s) 'A.41.HA' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 351 2 192 1 "Not handling restraint 192, item 4, resonance(s) 'A.41.HA' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 352 2 193 1 "Not handling restraint 193, item 2, resonance(s) 'A.43.HD1' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 353 2 193 1 "Not handling restraint 193, item 3, resonance(s) 'A.43.HD1' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 354 2 193 1 "Not handling restraint 193, item 4, resonance(s) 'A.43.HD1' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 355 2 194 1 "Not handling restraint 194, item 2, resonance(s) 'A.32.HD21' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 356 2 194 1 "Not handling restraint 194, item 3, resonance(s) 'A.32.HD23' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 357 2 194 1 "Not handling restraint 194, item 4, resonance(s) 'A.32.HD22' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 358 2 195 1 "Not handling restraint 195, item 2, resonance(s) 'A.33.HB2' (nmrStar names),'A.38.HB2' (nmrStar names) not linked" c16510_2ke1 1 359 2 195 1 "Not handling restraint 195, item 3, resonance(s) 'A.33.HB3' (nmrStar names),'A.38.HB2' (nmrStar names) not linked" c16510_2ke1 1 360 2 195 1 "Not handling restraint 195, item 4, resonance(s) 'A.33.HB1' (nmrStar names),'A.38.HB2' (nmrStar names) not linked" c16510_2ke1 1 361 2 196 1 "Not handling restraint 196, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 362 2 196 1 "Not handling restraint 196, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 363 2 196 1 "Not handling restraint 196, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 364 2 197 1 "Not handling restraint 197, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 365 2 197 1 "Not handling restraint 197, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 366 2 197 1 "Not handling restraint 197, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 367 2 198 1 "Not handling restraint 198, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 368 2 198 1 "Not handling restraint 198, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 369 2 198 1 "Not handling restraint 198, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 370 2 199 1 "Not handling restraint 199, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 371 2 199 1 "Not handling restraint 199, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 372 2 199 1 "Not handling restraint 199, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 373 2 200 1 "Not handling restraint 200, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 374 2 200 1 "Not handling restraint 200, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 375 2 200 1 "Not handling restraint 200, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 376 2 201 1 "Not handling restraint 201, item 1, resonance(s) 'A.36.HB1' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 377 2 202 1 "Not handling restraint 202, item 1, resonance(s) 'A.36.HB2' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 378 2 203 1 "Not handling restraint 203, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 1 379 2 204 1 "Not handling restraint 204, item 2, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HD21' (nmrStar names) not linked" c16510_2ke1 1 380 2 204 1 "Not handling restraint 204, item 3, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HD23' (nmrStar names) not linked" c16510_2ke1 1 381 2 204 1 "Not handling restraint 204, item 4, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HD22' (nmrStar names) not linked" c16510_2ke1 1 382 2 205 1 "Not handling restraint 205, item 10, resonance(s) 'A.21.HD13' (nmrStar names),'A.42.HG21' (nmrStar names) not linked" c16510_2ke1 1 383 2 205 1 "Not handling restraint 205, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.42.HG22' (nmrStar names) not linked" c16510_2ke1 1 384 2 205 1 "Not handling restraint 205, item 3, resonance(s) 'A.21.HD11' (nmrStar names),'A.42.HG23' (nmrStar names) not linked" c16510_2ke1 1 385 2 205 1 "Not handling restraint 205, item 4, resonance(s) 'A.21.HD11' (nmrStar names),'A.42.HG21' (nmrStar names) not linked" c16510_2ke1 1 386 2 205 1 "Not handling restraint 205, item 5, resonance(s) 'A.21.HD12' (nmrStar names),'A.42.HG22' (nmrStar names) not linked" c16510_2ke1 1 387 2 205 1 "Not handling restraint 205, item 6, resonance(s) 'A.21.HD12' (nmrStar names),'A.42.HG23' (nmrStar names) not linked" c16510_2ke1 1 388 2 205 1 "Not handling restraint 205, item 7, resonance(s) 'A.21.HD12' (nmrStar names),'A.42.HG21' (nmrStar names) not linked" c16510_2ke1 1 389 2 205 1 "Not handling restraint 205, item 8, resonance(s) 'A.21.HD13' (nmrStar names),'A.42.HG22' (nmrStar names) not linked" c16510_2ke1 1 390 2 205 1 "Not handling restraint 205, item 9, resonance(s) 'A.21.HD13' (nmrStar names),'A.42.HG23' (nmrStar names) not linked" c16510_2ke1 1 391 2 206 1 "Not handling restraint 206, item 2, resonance(s) 'A.43.HD2' (nmrStar names),'A.42.HD11' (nmrStar names) not linked" c16510_2ke1 1 392 2 206 1 "Not handling restraint 206, item 3, resonance(s) 'A.43.HD2' (nmrStar names),'A.42.HD12' (nmrStar names) not linked" c16510_2ke1 1 393 2 206 1 "Not handling restraint 206, item 4, resonance(s) 'A.43.HD2' (nmrStar names),'A.42.HD13' (nmrStar names) not linked" c16510_2ke1 1 394 2 207 1 "Not handling restraint 207, item 1, resonance(s) 'A.46.HB' (nmrStar names),'A.24.HB2' (nmrStar names) not linked" c16510_2ke1 1 395 2 208 1 "Not handling restraint 208, item 1, resonance(s) 'A.46.HB' (nmrStar names),'A.24.HB1' (nmrStar names) not linked" c16510_2ke1 1 396 2 209 1 "Not handling restraint 209, item 2, resonance(s) 'A.46.HG22' (nmrStar names),'A.24.HB2' (nmrStar names) not linked" c16510_2ke1 1 397 2 209 1 "Not handling restraint 209, item 3, resonance(s) 'A.46.HG21' (nmrStar names),'A.24.HB2' (nmrStar names) not linked" c16510_2ke1 1 398 2 209 1 "Not handling restraint 209, item 4, resonance(s) 'A.46.HG23' (nmrStar names),'A.24.HB2' (nmrStar names) not linked" c16510_2ke1 1 399 2 210 1 "Not handling restraint 210, item 2, resonance(s) 'A.46.HG22' (nmrStar names),'A.24.HB1' (nmrStar names) not linked" c16510_2ke1 1 400 2 210 1 "Not handling restraint 210, item 3, resonance(s) 'A.46.HG21' (nmrStar names),'A.24.HB1' (nmrStar names) not linked" c16510_2ke1 1 401 2 210 1 "Not handling restraint 210, item 4, resonance(s) 'A.46.HG23' (nmrStar names),'A.24.HB1' (nmrStar names) not linked" c16510_2ke1 1 402 2 211 1 "Not handling restraint 211, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.47.HA' (nmrStar names) not linked" c16510_2ke1 1 403 2 212 1 "Not handling restraint 212, item 1, resonance(s) 'A.47.HB2' (nmrStar names),'A.47.HE3' (nmrStar names) not linked" c16510_2ke1 1 404 2 213 1 "Not handling restraint 213, item 1, resonance(s) 'A.47.HE3' (nmrStar names),'A.48.HA' (nmrStar names) not linked" c16510_2ke1 1 405 2 214 1 "Not handling restraint 214, item 2, resonance(s) 'A.48.HD2' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 406 2 214 1 "Not handling restraint 214, item 3, resonance(s) 'A.48.HD2' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 407 2 214 1 "Not handling restraint 214, item 4, resonance(s) 'A.48.HD2' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 408 2 215 1 "Not handling restraint 215, item 1, resonance(s) 'A.47.HZ2' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 409 2 216 1 "Not handling restraint 216, item 1, resonance(s) 'A.47.HH2' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 1 410 2 217 1 "Not handling restraint 217, item 2, resonance(s) 'A.53.HD13' (nmrStar names),'A.50.HA' (nmrStar names) not linked" c16510_2ke1 1 411 2 217 1 "Not handling restraint 217, item 3, resonance(s) 'A.53.HD11' (nmrStar names),'A.50.HA' (nmrStar names) not linked" c16510_2ke1 1 412 2 217 1 "Not handling restraint 217, item 4, resonance(s) 'A.53.HD12' (nmrStar names),'A.50.HA' (nmrStar names) not linked" c16510_2ke1 1 413 2 218 1 "Not handling restraint 218, item 2, resonance(s) 'A.48.HD1' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 414 2 218 1 "Not handling restraint 218, item 3, resonance(s) 'A.48.HD1' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 415 2 218 1 "Not handling restraint 218, item 4, resonance(s) 'A.48.HD1' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 416 2 219 1 "Not handling restraint 219, item 2, resonance(s) 'A.55.HA' (nmrStar names),'A.55.HB2' (nmrStar names) not linked" c16510_2ke1 1 417 2 219 1 "Not handling restraint 219, item 3, resonance(s) 'A.55.HA' (nmrStar names),'A.55.HB3' (nmrStar names) not linked" c16510_2ke1 1 418 2 219 1 "Not handling restraint 219, item 4, resonance(s) 'A.55.HA' (nmrStar names),'A.55.HB1' (nmrStar names) not linked" c16510_2ke1 1 419 2 220 1 "Not handling restraint 220, item 2, resonance(s) 'A.52.HA' (nmrStar names),'A.55.HB2' (nmrStar names) not linked" c16510_2ke1 1 420 2 220 1 "Not handling restraint 220, item 3, resonance(s) 'A.52.HA' (nmrStar names),'A.55.HB3' (nmrStar names) not linked" c16510_2ke1 1 421 2 220 1 "Not handling restraint 220, item 4, resonance(s) 'A.52.HA' (nmrStar names),'A.55.HB1' (nmrStar names) not linked" c16510_2ke1 1 422 2 221 1 "Not handling restraint 221, item 2, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG12' (nmrStar names) not linked" c16510_2ke1 1 423 2 221 1 "Not handling restraint 221, item 3, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG11' (nmrStar names) not linked" c16510_2ke1 1 424 2 221 1 "Not handling restraint 221, item 4, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG13' (nmrStar names) not linked" c16510_2ke1 1 425 2 222 1 "Not handling restraint 222, item 1, resonance(s) 'A.58.HA' (nmrStar names),'A.57.HB' (nmrStar names) not linked" c16510_2ke1 1 426 2 223 1 "Not handling restraint 223, item 1, resonance(s) 'A.59.HA' (nmrStar names),'A.59.HG1' (nmrStar names) not linked" c16510_2ke1 1 427 2 224 1 "Not handling restraint 224, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.61.HB2' (nmrStar names) not linked" c16510_2ke1 1 428 2 225 1 "Not handling restraint 225, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" c16510_2ke1 1 429 2 226 1 "Not handling restraint 226, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB1' (nmrStar names) not linked" c16510_2ke1 1 430 2 227 1 "Not handling restraint 227, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" c16510_2ke1 1 431 2 228 1 "Not handling restraint 228, item 1, resonance(s) 'A.10.HG2' (nmrStar names),'A.10.HB1' (nmrStar names) not linked" c16510_2ke1 1 432 2 229 1 "Not handling restraint 229, item 1, resonance(s) 'A.10.HG1' (nmrStar names),'A.10.HG2' (nmrStar names) not linked" c16510_2ke1 1 433 2 230 1 "Not handling restraint 230, item 1, resonance(s) 'A.10.HG2' (nmrStar names),'A.10.HB2' (nmrStar names) not linked" c16510_2ke1 1 434 2 231 1 "Not handling restraint 231, item 2, resonance(s) 'A.28.HB2' (nmrStar names),'A.12.HB2' (nmrStar names) not linked" c16510_2ke1 1 435 2 231 1 "Not handling restraint 231, item 3, resonance(s) 'A.28.HB2' (nmrStar names),'A.12.HB3' (nmrStar names) not linked" c16510_2ke1 1 436 2 231 1 "Not handling restraint 231, item 4, resonance(s) 'A.28.HB2' (nmrStar names),'A.12.HB1' (nmrStar names) not linked" c16510_2ke1 1 437 2 232 1 "Not handling restraint 232, item 2, resonance(s) 'A.28.HG2' (nmrStar names),'A.12.HB2' (nmrStar names) not linked" c16510_2ke1 1 438 2 232 1 "Not handling restraint 232, item 3, resonance(s) 'A.28.HG2' (nmrStar names),'A.12.HB3' (nmrStar names) not linked" c16510_2ke1 1 439 2 232 1 "Not handling restraint 232, item 4, resonance(s) 'A.28.HG2' (nmrStar names),'A.12.HB1' (nmrStar names) not linked" c16510_2ke1 1 440 2 233 1 "Not handling restraint 233, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 441 2 233 1 "Not handling restraint 233, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 442 2 233 1 "Not handling restraint 233, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 443 2 234 1 "Not handling restraint 234, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 444 2 234 1 "Not handling restraint 234, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 445 2 234 1 "Not handling restraint 234, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 446 2 235 1 "Not handling restraint 235, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 447 2 235 1 "Not handling restraint 235, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 448 2 235 1 "Not handling restraint 235, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 449 2 236 1 "Not handling restraint 236, item 10, resonance(s) 'A.13.HG23' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 1 450 2 236 1 "Not handling restraint 236, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 1 451 2 236 1 "Not handling restraint 236, item 3, resonance(s) 'A.13.HG21' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 1 452 2 236 1 "Not handling restraint 236, item 4, resonance(s) 'A.13.HG21' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 1 453 2 236 1 "Not handling restraint 236, item 5, resonance(s) 'A.13.HG22' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 1 454 2 236 1 "Not handling restraint 236, item 6, resonance(s) 'A.13.HG22' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 1 455 2 236 1 "Not handling restraint 236, item 7, resonance(s) 'A.13.HG22' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 1 456 2 236 1 "Not handling restraint 236, item 8, resonance(s) 'A.13.HG23' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 1 457 2 236 1 "Not handling restraint 236, item 9, resonance(s) 'A.13.HG23' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 1 458 2 237 1 "Not handling restraint 237, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.14.HA' (nmrStar names) not linked" c16510_2ke1 1 459 2 237 1 "Not handling restraint 237, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.14.HA' (nmrStar names) not linked" c16510_2ke1 1 460 2 237 1 "Not handling restraint 237, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.14.HA' (nmrStar names) not linked" c16510_2ke1 1 461 2 238 1 "Not handling restraint 238, item 1, resonance(s) 'A.19.HA' (nmrStar names),'B.73.HA' (nmrStar names) not linked" c16510_2ke1 1 462 2 239 1 "Not handling restraint 239, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 463 2 240 1 "Not handling restraint 240, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 464 2 240 1 "Not handling restraint 240, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 465 2 240 1 "Not handling restraint 240, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 466 2 241 1 "Not handling restraint 241, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 467 2 241 1 "Not handling restraint 241, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 468 2 241 1 "Not handling restraint 241, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 469 2 242 1 "Not handling restraint 242, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 470 2 242 1 "Not handling restraint 242, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 471 2 242 1 "Not handling restraint 242, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 472 2 243 1 "Not handling restraint 243, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 473 2 243 1 "Not handling restraint 243, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 474 2 243 1 "Not handling restraint 243, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 475 2 244 1 "Not handling restraint 244, item 1, resonance(s) 'A.21.HA' (nmrStar names),'B.71.HA' (nmrStar names) not linked" c16510_2ke1 1 476 2 245 1 "Not handling restraint 245, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 477 2 246 1 "Not handling restraint 246, item 1, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 478 2 247 1 "Not handling restraint 247, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 479 2 247 1 "Not handling restraint 247, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 480 2 247 1 "Not handling restraint 247, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 481 2 248 1 "Not handling restraint 248, item 2, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HG22' (nmrStar names) not linked" c16510_2ke1 1 482 2 248 1 "Not handling restraint 248, item 3, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HG23' (nmrStar names) not linked" c16510_2ke1 1 483 2 248 1 "Not handling restraint 248, item 4, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HG21' (nmrStar names) not linked" c16510_2ke1 1 484 2 249 1 "Not handling restraint 249, item 1, resonance(s) 'A.22.HA' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 1 485 2 250 1 "Not handling restraint 250, item 1, resonance(s) 'A.47.HE3' (nmrStar names),'A.23.HA' (nmrStar names) not linked" c16510_2ke1 1 486 2 251 1 "Not handling restraint 251, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" c16510_2ke1 1 487 2 252 1 "Not handling restraint 252, item 1, resonance(s) 'A.23.HB2' (nmrStar names),'A.23.HA' (nmrStar names) not linked" c16510_2ke1 1 488 2 253 1 "Not handling restraint 253, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.23.HA' (nmrStar names) not linked" c16510_2ke1 1 489 2 254 1 "Not handling restraint 254, item 1, resonance(s) 'A.24.HB2' (nmrStar names),'A.24.HA' (nmrStar names) not linked" c16510_2ke1 1 490 2 255 1 "Not handling restraint 255, item 1, resonance(s) 'A.24.HB1' (nmrStar names),'A.24.HA' (nmrStar names) not linked" c16510_2ke1 1 491 2 256 1 "Not handling restraint 256, item 1, resonance(s) 'A.28.HG2' (nmrStar names),'A.28.HA' (nmrStar names) not linked" c16510_2ke1 1 492 2 257 1 "Not handling restraint 257, item 1, resonance(s) 'A.28.HG1' (nmrStar names),'A.28.HA' (nmrStar names) not linked" c16510_2ke1 1 493 2 258 1 "Not handling restraint 258, item 1, resonance(s) 'A.28.HD2' (nmrStar names),'A.28.HA' (nmrStar names) not linked" c16510_2ke1 1 494 2 259 1 "Not handling restraint 259, item 1, resonance(s) 'A.28.HD2' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 495 2 260 1 "Not handling restraint 260, item 2, resonance(s) 'A.32.HD13' (nmrStar names),'A.40.HA' (nmrStar names) not linked" c16510_2ke1 1 496 2 260 1 "Not handling restraint 260, item 3, resonance(s) 'A.32.HD11' (nmrStar names),'A.40.HA' (nmrStar names) not linked" c16510_2ke1 1 497 2 260 1 "Not handling restraint 260, item 4, resonance(s) 'A.32.HD12' (nmrStar names),'A.40.HA' (nmrStar names) not linked" c16510_2ke1 1 498 2 261 1 "Not handling restraint 261, item 2, resonance(s) 'A.32.HD21' (nmrStar names),'A.32.HG' (nmrStar names) not linked" c16510_2ke1 1 499 2 261 1 "Not handling restraint 261, item 3, resonance(s) 'A.32.HD23' (nmrStar names),'A.32.HG' (nmrStar names) not linked" c16510_2ke1 1 500 2 261 1 "Not handling restraint 261, item 4, resonance(s) 'A.32.HD22' (nmrStar names),'A.32.HG' (nmrStar names) not linked" c16510_2ke1 1 501 2 262 1 "Not handling restraint 262, item 1, resonance(s) 'A.33.HA' (nmrStar names),'A.38.HB2' (nmrStar names) not linked" c16510_2ke1 1 502 2 263 1 "Not handling restraint 263, item 1, resonance(s) 'A.33.HA' (nmrStar names),'A.38.HB1' (nmrStar names) not linked" c16510_2ke1 1 503 2 264 1 "Not handling restraint 264, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 504 2 264 1 "Not handling restraint 264, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 505 2 264 1 "Not handling restraint 264, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 506 2 264 1 "Not handling restraint 264, item 5, resonance(s) 'A.35.HD21' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 507 2 264 1 "Not handling restraint 264, item 6, resonance(s) 'A.35.HD23' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 508 2 264 1 "Not handling restraint 264, item 7, resonance(s) 'A.35.HD22' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 509 2 265 1 "Not handling restraint 265, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 510 2 265 1 "Not handling restraint 265, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 511 2 265 1 "Not handling restraint 265, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.47.HZ2' (nmrStar names) not linked" c16510_2ke1 1 512 2 266 1 "Not handling restraint 266, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.37.HD2' (nmrStar names) not linked" c16510_2ke1 1 513 2 266 1 "Not handling restraint 266, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.37.HD2' (nmrStar names) not linked" c16510_2ke1 1 514 2 266 1 "Not handling restraint 266, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.37.HD2' (nmrStar names) not linked" c16510_2ke1 1 515 2 267 1 "Not handling restraint 267, item 1, resonance(s) 'A.36.HA' (nmrStar names),'A.37.HB2' (nmrStar names) not linked" c16510_2ke1 1 516 2 268 1 "Not handling restraint 268, item 1, resonance(s) 'A.37.HA' (nmrStar names),'A.38.HD2' (nmrStar names) not linked" c16510_2ke1 1 517 2 269 1 "Not handling restraint 269, item 1, resonance(s) 'A.37.HG2' (nmrStar names),'A.37.HD1' (nmrStar names) not linked" c16510_2ke1 1 518 2 270 1 "Not handling restraint 270, item 1, resonance(s) 'A.37.HG1' (nmrStar names),'A.37.HD1' (nmrStar names) not linked" c16510_2ke1 1 519 2 271 1 "Not handling restraint 271, item 1, resonance(s) 'A.37.HD2' (nmrStar names),'A.37.HD1' (nmrStar names) not linked" c16510_2ke1 1 520 2 272 1 "Not handling restraint 272, item 1, resonance(s) 'A.38.HB1' (nmrStar names),'A.38.HD2' (nmrStar names) not linked" c16510_2ke1 1 521 2 273 1 "Not handling restraint 273, item 1, resonance(s) 'A.36.HA' (nmrStar names),'A.38.HD2' (nmrStar names) not linked" c16510_2ke1 1 522 2 274 1 "Not handling restraint 274, item 1, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HD1' (nmrStar names) not linked" c16510_2ke1 1 523 2 275 1 "Not handling restraint 275, item 2, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HD13' (nmrStar names) not linked" c16510_2ke1 1 524 2 275 1 "Not handling restraint 275, item 3, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HD11' (nmrStar names) not linked" c16510_2ke1 1 525 2 275 1 "Not handling restraint 275, item 4, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HD12' (nmrStar names) not linked" c16510_2ke1 1 526 2 276 1 "Not handling restraint 276, item 2, resonance(s) 'A.43.HD1' (nmrStar names),'A.39.HD13' (nmrStar names) not linked" c16510_2ke1 1 527 2 276 1 "Not handling restraint 276, item 3, resonance(s) 'A.43.HD1' (nmrStar names),'A.39.HD11' (nmrStar names) not linked" c16510_2ke1 1 528 2 276 1 "Not handling restraint 276, item 4, resonance(s) 'A.43.HD1' (nmrStar names),'A.39.HD12' (nmrStar names) not linked" c16510_2ke1 1 529 2 277 1 "Not handling restraint 277, item 2, resonance(s) 'A.39.HD13' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 1 530 2 277 1 "Not handling restraint 277, item 3, resonance(s) 'A.39.HD11' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 1 531 2 277 1 "Not handling restraint 277, item 4, resonance(s) 'A.39.HD12' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 1 532 2 278 1 "Not handling restraint 278, item 1, resonance(s) 'A.62.HD2' (nmrStar names),'A.63.HA' (nmrStar names) not linked" c16510_2ke1 1 533 2 279 1 "Not handling restraint 279, item 1, resonance(s) 'A.41.HB2' (nmrStar names),'A.41.HB1' (nmrStar names) not linked" c16510_2ke1 1 534 2 280 1 "Not handling restraint 280, item 1, resonance(s) 'A.42.HA' (nmrStar names),'A.42.HG12' (nmrStar names) not linked" c16510_2ke1 1 535 2 281 1 "Not handling restraint 281, item 1, resonance(s) 'A.42.HA' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 536 2 282 1 "Not handling restraint 282, item 2, resonance(s) 'A.32.HD21' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 537 2 282 1 "Not handling restraint 282, item 3, resonance(s) 'A.32.HD23' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 538 2 282 1 "Not handling restraint 282, item 4, resonance(s) 'A.32.HD22' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 539 2 283 1 "Not handling restraint 283, item 1, resonance(s) 'A.43.HB1' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 1 540 2 284 1 "Not handling restraint 284, item 2, resonance(s) 'A.46.HB' (nmrStar names),'A.46.HG22' (nmrStar names) not linked" c16510_2ke1 1 541 2 284 1 "Not handling restraint 284, item 3, resonance(s) 'A.46.HB' (nmrStar names),'A.46.HG21' (nmrStar names) not linked" c16510_2ke1 1 542 2 284 1 "Not handling restraint 284, item 4, resonance(s) 'A.46.HB' (nmrStar names),'A.46.HG23' (nmrStar names) not linked" c16510_2ke1 1 543 2 285 1 "Not handling restraint 285, item 2, resonance(s) 'A.56.HG22' (nmrStar names),'A.56.HB' (nmrStar names) not linked" c16510_2ke1 1 544 2 285 1 "Not handling restraint 285, item 3, resonance(s) 'A.56.HG21' (nmrStar names),'A.56.HB' (nmrStar names) not linked" c16510_2ke1 1 545 2 285 1 "Not handling restraint 285, item 4, resonance(s) 'A.56.HG23' (nmrStar names),'A.56.HB' (nmrStar names) not linked" c16510_2ke1 1 546 2 286 1 "Not handling restraint 286, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 1 547 2 287 1 "Not handling restraint 287, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HB1' (nmrStar names) not linked" c16510_2ke1 1 548 2 288 1 "Not handling restraint 288, item 1, resonance(s) 'A.48.HB2' (nmrStar names),'A.52.HB1' (nmrStar names) not linked" c16510_2ke1 1 549 2 289 1 "Not handling restraint 289, item 1, resonance(s) 'A.48.HB1' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 1 550 2 290 1 "Not handling restraint 290, item 1, resonance(s) 'A.48.HB2' (nmrStar names),'A.48.HB1' (nmrStar names) not linked" c16510_2ke1 1 551 2 291 1 "Not handling restraint 291, item 1, resonance(s) 'A.48.HB2' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 1 552 2 292 1 "Not handling restraint 292, item 1, resonance(s) 'A.52.HB2' (nmrStar names),'A.52.HB1' (nmrStar names) not linked" c16510_2ke1 1 553 2 293 1 "Not handling restraint 293, item 1, resonance(s) 'A.52.HB2' (nmrStar names),'A.48.HB1' (nmrStar names) not linked" c16510_2ke1 1 554 2 294 1 "Not handling restraint 294, item 1, resonance(s) 'A.48.HB1' (nmrStar names),'A.52.HB1' (nmrStar names) not linked" c16510_2ke1 1 555 2 295 1 "Not handling restraint 295, item 1, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HA' (nmrStar names) not linked" c16510_2ke1 1 556 2 296 1 "Not handling restraint 296, item 1, resonance(s) 'A.59.HA' (nmrStar names),'A.59.HG2' (nmrStar names) not linked" c16510_2ke1 1 557 2 297 1 "Not handling restraint 297, item 1, resonance(s) 'A.59.HB2' (nmrStar names),'A.59.HB1' (nmrStar names) not linked" c16510_2ke1 1 558 2 298 1 "Not handling restraint 298, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.62.HD1' (nmrStar names) not linked" c16510_2ke1 1 559 2 299 1 "Not handling restraint 299, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.61.HB1' (nmrStar names) not linked" c16510_2ke1 1 560 2 300 1 "Not handling restraint 300, item 1, resonance(s) 'A.62.HB1' (nmrStar names),'A.62.HD2' (nmrStar names) not linked" c16510_2ke1 1 561 2 301 1 "Not handling restraint 301, item 1, resonance(s) 'A.62.HB1' (nmrStar names),'A.62.HD1' (nmrStar names) not linked" c16510_2ke1 1 562 2 302 1 "Not handling restraint 302, item 1, resonance(s) 'A.28.HG1' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 563 2 303 1 "Not handling restraint 303, item 1, resonance(s) 'A.28.HB2' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 564 2 304 1 "Not handling restraint 304, item 1, resonance(s) 'A.28.HG2' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 565 2 305 1 "Not handling restraint 305, item 1, resonance(s) 'A.28.HD1' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 566 2 306 1 "Not handling restraint 306, item 1, resonance(s) 'A.28.HG1' (nmrStar names),'A.28.HB1' (nmrStar names) not linked" c16510_2ke1 1 567 2 307 1 "Not handling restraint 307, item 1, resonance(s) 'A.47.HB2' (nmrStar names),'A.47.HB1' (nmrStar names) not linked" c16510_2ke1 1 568 2 308 1 "Not handling restraint 308, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 569 2 309 1 "Not handling restraint 309, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'A.9.HA' (nmrStar names) not linked" c16510_2ke1 1 570 2 309 1 "Not handling restraint 309, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'A.9.HA' (nmrStar names) not linked" c16510_2ke1 1 571 2 309 1 "Not handling restraint 309, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'A.9.HA' (nmrStar names) not linked" c16510_2ke1 1 572 2 310 1 "Not handling restraint 310, item 1, resonance(s) 'B.70.HB2' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 1 573 2 311 1 "Not handling restraint 311, item 1, resonance(s) 'A.27.HA' (nmrStar names),'A.27.HB1' (nmrStar names) not linked" c16510_2ke1 1 574 2 312 1 "Not handling restraint 312, item 1, resonance(s) 'A.53.HB1' (nmrStar names),'A.50.HA' (nmrStar names) not linked" c16510_2ke1 1 575 2 313 1 "Not handling restraint 313, item 1, resonance(s) 'A.50.HA' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 1 576 2 314 1 "Not handling restraint 314, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 577 2 314 1 "Not handling restraint 314, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 578 2 314 1 "Not handling restraint 314, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 579 2 315 1 "Not handling restraint 315, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 1 580 2 315 1 "Not handling restraint 315, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 1 581 2 315 1 "Not handling restraint 315, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 1 582 2 316 1 "Not handling restraint 316, item 2, resonance(s) 'A.7.HB1' (nmrStar names),'A.29.HB2' (nmrStar names) not linked" c16510_2ke1 1 583 2 316 1 "Not handling restraint 316, item 3, resonance(s) 'A.7.HB1' (nmrStar names),'A.29.HB3' (nmrStar names) not linked" c16510_2ke1 1 584 2 316 1 "Not handling restraint 316, item 4, resonance(s) 'A.7.HB1' (nmrStar names),'A.29.HB1' (nmrStar names) not linked" c16510_2ke1 1 585 2 317 1 "Not handling restraint 317, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 586 2 317 1 "Not handling restraint 317, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 587 2 317 1 "Not handling restraint 317, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 588 2 318 1 "Not handling restraint 318, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 589 2 318 1 "Not handling restraint 318, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 590 2 318 1 "Not handling restraint 318, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 591 2 319 1 "Not handling restraint 319, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 592 2 319 1 "Not handling restraint 319, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 593 2 319 1 "Not handling restraint 319, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 594 2 320 1 "Not handling restraint 320, item 10, resonance(s) 'A.56.HG23' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 595 2 320 1 "Not handling restraint 320, item 2, resonance(s) 'A.56.HG22' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 596 2 320 1 "Not handling restraint 320, item 3, resonance(s) 'A.56.HG22' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 597 2 320 1 "Not handling restraint 320, item 4, resonance(s) 'A.56.HG22' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 598 2 320 1 "Not handling restraint 320, item 5, resonance(s) 'A.56.HG21' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 599 2 320 1 "Not handling restraint 320, item 6, resonance(s) 'A.56.HG21' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 600 2 320 1 "Not handling restraint 320, item 7, resonance(s) 'A.56.HG21' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 601 2 320 1 "Not handling restraint 320, item 8, resonance(s) 'A.56.HG23' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 602 2 320 1 "Not handling restraint 320, item 9, resonance(s) 'A.56.HG23' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 603 2 321 1 "Not handling restraint 321, item 1, resonance(s) 'A.48.HD1' (nmrStar names),'A.53.HA' (nmrStar names) not linked" c16510_2ke1 1 604 2 322 1 "Not handling restraint 322, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 605 2 322 1 "Not handling restraint 322, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 606 2 322 1 "Not handling restraint 322, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.30.HD1' (nmrStar names) not linked" c16510_2ke1 1 607 2 322 1 "Not handling restraint 322, item 5, resonance(s) 'A.12.HB2' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 608 2 322 1 "Not handling restraint 322, item 6, resonance(s) 'A.12.HB3' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 609 2 322 1 "Not handling restraint 322, item 7, resonance(s) 'A.12.HB1' (nmrStar names),'A.30.HD2' (nmrStar names) not linked" c16510_2ke1 1 610 2 323 1 "Not handling restraint 323, item 1, resonance(s) 'A.37.HD2' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 611 2 324 1 "Not handling restraint 324, item 1, resonance(s) 'A.16.HB1' (nmrStar names),'A.16.HA' (nmrStar names) not linked" c16510_2ke1 1 612 2 325 1 "Not handling restraint 325, item 1, resonance(s) 'A.53.HA' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 1 613 2 326 1 "Not handling restraint 326, item 1, resonance(s) 'A.52.HA' (nmrStar names),'A.52.HB1' (nmrStar names) not linked" c16510_2ke1 1 614 2 327 1 "Not handling restraint 327, item 1, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HA' (nmrStar names) not linked" c16510_2ke1 1 615 2 328 1 "Not handling restraint 328, item 1, resonance(s) 'A.42.HA' (nmrStar names),'A.42.HB' (nmrStar names) not linked" c16510_2ke1 1 616 2 329 1 "Not handling restraint 329, item 1, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HG' (nmrStar names) not linked" c16510_2ke1 1 617 2 330 1 "Not handling restraint 330, item 2, resonance(s) 'A.42.HG22' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 618 2 330 1 "Not handling restraint 330, item 3, resonance(s) 'A.42.HG23' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 619 2 330 1 "Not handling restraint 330, item 4, resonance(s) 'A.42.HG21' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 620 2 331 1 "Not handling restraint 331, item 1, resonance(s) 'A.37.HB2' (nmrStar names),'A.37.HB1' (nmrStar names) not linked" c16510_2ke1 1 621 2 332 1 "Not handling restraint 332, item 1, resonance(s) 'A.38.HB2' (nmrStar names),'A.38.HB1' (nmrStar names) not linked" c16510_2ke1 1 622 2 333 1 "Not handling restraint 333, item 2, resonance(s) 'A.39.HG' (nmrStar names),'A.39.HD13' (nmrStar names) not linked" c16510_2ke1 1 623 2 333 1 "Not handling restraint 333, item 3, resonance(s) 'A.39.HG' (nmrStar names),'A.39.HD11' (nmrStar names) not linked" c16510_2ke1 1 624 2 333 1 "Not handling restraint 333, item 4, resonance(s) 'A.39.HG' (nmrStar names),'A.39.HD12' (nmrStar names) not linked" c16510_2ke1 1 625 2 334 1 "Not handling restraint 334, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 626 2 334 1 "Not handling restraint 334, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 627 2 334 1 "Not handling restraint 334, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 628 2 335 1 "Not handling restraint 335, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 629 2 335 1 "Not handling restraint 335, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 630 2 335 1 "Not handling restraint 335, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 631 2 336 1 "Not handling restraint 336, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 632 2 336 1 "Not handling restraint 336, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 633 2 336 1 "Not handling restraint 336, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 1 634 2 337 1 "Not handling restraint 337, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 635 2 337 1 "Not handling restraint 337, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 636 2 337 1 "Not handling restraint 337, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 637 2 338 1 "Not handling restraint 338, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 638 2 338 1 "Not handling restraint 338, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 639 2 338 1 "Not handling restraint 338, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 640 2 339 1 "Not handling restraint 339, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 641 2 339 1 "Not handling restraint 339, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 642 2 339 1 "Not handling restraint 339, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 643 2 340 1 "Not handling restraint 340, item 2, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 644 2 340 1 "Not handling restraint 340, item 3, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 645 2 340 1 "Not handling restraint 340, item 4, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 646 2 341 1 "Not handling restraint 341, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 647 2 341 1 "Not handling restraint 341, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 648 2 341 1 "Not handling restraint 341, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 649 2 342 1 "Not handling restraint 342, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 650 2 342 1 "Not handling restraint 342, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 651 2 342 1 "Not handling restraint 342, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 652 2 343 1 "Not handling restraint 343, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HA' (nmrStar names) not linked" c16510_2ke1 1 653 2 344 1 "Not handling restraint 344, item 1, resonance(s) 'A.43.HB2' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 1 654 2 345 1 "Not handling restraint 345, item 1, resonance(s) 'A.37.HB2' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 655 2 346 1 "Not handling restraint 346, item 1, resonance(s) 'A.28.HB1' (nmrStar names),'A.28.HA' (nmrStar names) not linked" c16510_2ke1 1 656 2 347 1 "Not handling restraint 347, item 1, resonance(s) 'A.49.HA' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 1 657 2 348 1 "Not handling restraint 348, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 658 2 349 1 "Not handling restraint 349, item 1, resonance(s) 'A.30.HA' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 659 2 350 1 "Not handling restraint 350, item 1, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HG2' (nmrStar names) not linked" c16510_2ke1 1 660 2 351 1 "Not handling restraint 351, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 661 2 352 1 "Not handling restraint 352, item 1, resonance(s) 'A.43.HB2' (nmrStar names),'A.43.HD1' (nmrStar names) not linked" c16510_2ke1 1 662 2 353 1 "Not handling restraint 353, item 1, resonance(s) 'A.37.HD2' (nmrStar names),'A.37.HB2' (nmrStar names) not linked" c16510_2ke1 1 663 2 354 1 "Not handling restraint 354, item 1, resonance(s) 'A.37.HB2' (nmrStar names),'A.37.HD1' (nmrStar names) not linked" c16510_2ke1 1 664 2 355 1 "Not handling restraint 355, item 1, resonance(s) 'A.10.HG1' (nmrStar names),'A.10.HB1' (nmrStar names) not linked" c16510_2ke1 1 665 2 356 1 "Not handling restraint 356, item 1, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HG2' (nmrStar names) not linked" c16510_2ke1 1 666 2 357 1 "Not handling restraint 357, item 1, resonance(s) 'A.34.HB2' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 667 2 358 1 "Not handling restraint 358, item 1, resonance(s) 'A.34.HB1' (nmrStar names),'A.34.HA' (nmrStar names) not linked" c16510_2ke1 1 668 2 359 1 "Not handling restraint 359, item 1, resonance(s) 'A.26.HA' (nmrStar names),'A.26.HB2' (nmrStar names) not linked" c16510_2ke1 1 669 2 360 1 "Not handling restraint 360, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 670 2 361 1 "Not handling restraint 361, item 1, resonance(s) 'A.30.HA' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 671 2 362 1 "Not handling restraint 362, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 672 2 363 1 "Not handling restraint 363, item 1, resonance(s) 'A.31.HB1' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 673 2 364 1 "Not handling restraint 364, item 1, resonance(s) 'A.25.HA1' (nmrStar names),'A.25.HA2' (nmrStar names) not linked" c16510_2ke1 1 674 2 365 1 "Not handling restraint 365, item 1, resonance(s) 'A.20.HA' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 675 2 366 1 "Not handling restraint 366, item 1, resonance(s) 'A.20.HA' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 676 2 367 1 "Not handling restraint 367, item 1, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 677 2 368 1 "Not handling restraint 368, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 678 2 368 1 "Not handling restraint 368, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 679 2 368 1 "Not handling restraint 368, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 680 2 369 1 "Not handling restraint 369, item 1, resonance(s) 'A.28.HG2' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 681 2 370 1 "Not handling restraint 370, item 1, resonance(s) 'A.30.HB2' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 682 2 371 1 "Not handling restraint 371, item 1, resonance(s) 'A.32.HB1' (nmrStar names),'A.32.HB2' (nmrStar names) not linked" c16510_2ke1 1 683 2 372 1 "Not handling restraint 372, item 1, resonance(s) 'A.34.HB2' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 684 2 373 1 "Not handling restraint 373, item 1, resonance(s) 'A.35.HB1' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 685 2 374 1 "Not handling restraint 374, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.10.HB1' (nmrStar names) not linked" c16510_2ke1 1 686 2 375 1 "Not handling restraint 375, item 1, resonance(s) 'A.8.HG1' (nmrStar names),'A.8.HG2' (nmrStar names) not linked" c16510_2ke1 1 687 2 376 1 "Not handling restraint 376, item 1, resonance(s) 'A.23.HB2' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" c16510_2ke1 1 688 2 377 1 "Not handling restraint 377, item 1, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HE2' (nmrStar names) not linked" c16510_2ke1 1 689 2 378 1 "Not handling restraint 378, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 1 690 2 379 1 "Not handling restraint 379, item 1, resonance(s) 'A.9.HB1' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 691 2 380 1 "Not handling restraint 380, item 1, resonance(s) 'A.14.HB2' (nmrStar names),'A.14.HB1' (nmrStar names) not linked" c16510_2ke1 1 692 2 381 1 "Not handling restraint 381, item 1, resonance(s) 'A.15.HB1' (nmrStar names),'A.15.HA' (nmrStar names) not linked" c16510_2ke1 1 693 2 382 1 "Not handling restraint 382, item 1, resonance(s) 'A.18.HA2' (nmrStar names),'A.18.HA1' (nmrStar names) not linked" c16510_2ke1 1 694 2 383 1 "Not handling restraint 383, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HG2' (nmrStar names) not linked" c16510_2ke1 1 695 2 384 1 "Not handling restraint 384, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 696 2 385 1 "Not handling restraint 385, item 1, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 697 2 386 1 "Not handling restraint 386, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 698 2 386 1 "Not handling restraint 386, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 699 2 386 1 "Not handling restraint 386, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 700 2 387 1 "Not handling restraint 387, item 1, resonance(s) 'A.24.HB2' (nmrStar names),'A.24.HB1' (nmrStar names) not linked" c16510_2ke1 1 701 2 388 1 "Not handling restraint 388, item 1, resonance(s) 'A.26.HB1' (nmrStar names),'A.26.HB2' (nmrStar names) not linked" c16510_2ke1 1 702 2 389 1 "Not handling restraint 389, item 1, resonance(s) 'A.31.HB2' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 703 2 390 1 "Not handling restraint 390, item 2, resonance(s) 'A.32.HB1' (nmrStar names),'A.32.HD13' (nmrStar names) not linked" c16510_2ke1 1 704 2 390 1 "Not handling restraint 390, item 3, resonance(s) 'A.32.HB1' (nmrStar names),'A.32.HD11' (nmrStar names) not linked" c16510_2ke1 1 705 2 390 1 "Not handling restraint 390, item 4, resonance(s) 'A.32.HB1' (nmrStar names),'A.32.HD12' (nmrStar names) not linked" c16510_2ke1 1 706 2 391 1 "Not handling restraint 391, item 2, resonance(s) 'A.32.HD13' (nmrStar names),'A.32.HB2' (nmrStar names) not linked" c16510_2ke1 1 707 2 391 1 "Not handling restraint 391, item 3, resonance(s) 'A.32.HD11' (nmrStar names),'A.32.HB2' (nmrStar names) not linked" c16510_2ke1 1 708 2 391 1 "Not handling restraint 391, item 4, resonance(s) 'A.32.HD12' (nmrStar names),'A.32.HB2' (nmrStar names) not linked" c16510_2ke1 1 709 2 392 1 "Not handling restraint 392, item 1, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HB2' (nmrStar names) not linked" c16510_2ke1 1 710 2 393 1 "Not handling restraint 393, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 711 2 394 1 "Not handling restraint 394, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 1 712 2 395 1 "Not handling restraint 395, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 713 2 395 1 "Not handling restraint 395, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 714 2 395 1 "Not handling restraint 395, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HB1' (nmrStar names) not linked" c16510_2ke1 1 715 2 396 1 "Not handling restraint 396, item 1, resonance(s) 'A.37.HA' (nmrStar names),'A.37.HB1' (nmrStar names) not linked" c16510_2ke1 1 716 2 397 1 "Not handling restraint 397, item 1, resonance(s) 'A.37.HG1' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 717 2 398 1 "Not handling restraint 398, item 1, resonance(s) 'A.37.HG2' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 718 2 399 1 "Not handling restraint 399, item 1, resonance(s) 'A.37.HG1' (nmrStar names),'A.37.HB2' (nmrStar names) not linked" c16510_2ke1 1 719 2 400 1 "Not handling restraint 400, item 1, resonance(s) 'A.37.HA' (nmrStar names),'A.38.HD1' (nmrStar names) not linked" c16510_2ke1 1 720 2 401 1 "Not handling restraint 401, item 1, resonance(s) 'A.41.HA' (nmrStar names),'A.41.HB2' (nmrStar names) not linked" c16510_2ke1 1 721 2 402 1 "Not handling restraint 402, item 1, resonance(s) 'A.41.HA' (nmrStar names),'A.41.HB1' (nmrStar names) not linked" c16510_2ke1 1 722 2 403 1 "Not handling restraint 403, item 2, resonance(s) 'A.42.HG22' (nmrStar names),'A.42.HB' (nmrStar names) not linked" c16510_2ke1 1 723 2 403 1 "Not handling restraint 403, item 3, resonance(s) 'A.42.HG23' (nmrStar names),'A.42.HB' (nmrStar names) not linked" c16510_2ke1 1 724 2 403 1 "Not handling restraint 403, item 4, resonance(s) 'A.42.HG21' (nmrStar names),'A.42.HB' (nmrStar names) not linked" c16510_2ke1 1 725 2 404 1 "Not handling restraint 404, item 1, resonance(s) 'A.42.HG12' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 726 2 405 1 "Not handling restraint 405, item 1, resonance(s) 'A.43.HD2' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 1 727 2 406 1 "Not handling restraint 406, item 2, resonance(s) 'A.42.HD11' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 728 2 406 1 "Not handling restraint 406, item 3, resonance(s) 'A.42.HD12' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 729 2 406 1 "Not handling restraint 406, item 4, resonance(s) 'A.42.HD13' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 730 2 407 1 "Not handling restraint 407, item 2, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 731 2 407 1 "Not handling restraint 407, item 3, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 732 2 407 1 "Not handling restraint 407, item 4, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 733 2 408 1 "Not handling restraint 408, item 1, resonance(s) 'A.43.HD2' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 734 2 409 1 "Not handling restraint 409, item 1, resonance(s) 'A.43.HD2' (nmrStar names),'A.43.HG1' (nmrStar names) not linked" c16510_2ke1 1 735 2 410 1 "Not handling restraint 410, item 1, resonance(s) 'A.43.HD1' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 736 2 411 1 "Not handling restraint 411, item 1, resonance(s) 'A.43.HD2' (nmrStar names),'A.43.HD1' (nmrStar names) not linked" c16510_2ke1 1 737 2 412 1 "Not handling restraint 412, item 1, resonance(s) 'A.43.HD2' (nmrStar names),'A.43.HB2' (nmrStar names) not linked" c16510_2ke1 1 738 2 413 1 "Not handling restraint 413, item 1, resonance(s) 'A.47.HB2' (nmrStar names),'A.47.HA' (nmrStar names) not linked" c16510_2ke1 1 739 2 414 1 "Not handling restraint 414, item 1, resonance(s) 'A.47.HB1' (nmrStar names),'A.47.HA' (nmrStar names) not linked" c16510_2ke1 1 740 2 415 1 "Not handling restraint 415, item 1, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HB2' (nmrStar names) not linked" c16510_2ke1 1 741 2 416 1 "Not handling restraint 416, item 1, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 1 742 2 417 1 "Not handling restraint 417, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 1 743 2 418 1 "Not handling restraint 418, item 1, resonance(s) 'A.51.HB1' (nmrStar names),'A.51.HA' (nmrStar names) not linked" c16510_2ke1 1 744 2 419 1 "Not handling restraint 419, item 1, resonance(s) 'A.51.HA' (nmrStar names),'A.51.HB2' (nmrStar names) not linked" c16510_2ke1 1 745 2 420 1 "Not handling restraint 420, item 2, resonance(s) 'A.53.HD21' (nmrStar names),'A.53.HA' (nmrStar names) not linked" c16510_2ke1 1 746 2 420 1 "Not handling restraint 420, item 3, resonance(s) 'A.53.HD23' (nmrStar names),'A.53.HA' (nmrStar names) not linked" c16510_2ke1 1 747 2 420 1 "Not handling restraint 420, item 4, resonance(s) 'A.53.HD22' (nmrStar names),'A.53.HA' (nmrStar names) not linked" c16510_2ke1 1 748 2 421 1 "Not handling restraint 421, item 1, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HB2' (nmrStar names) not linked" c16510_2ke1 1 749 2 422 1 "Not handling restraint 422, item 1, resonance(s) 'A.27.HD1' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 750 2 423 1 "Not handling restraint 423, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.27.HB1' (nmrStar names) not linked" c16510_2ke1 1 751 2 424 1 "Not handling restraint 424, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HN' (nmrStar names) not linked" c16510_2ke1 1 752 2 425 1 "Not handling restraint 425, item 1, resonance(s) 'A.6.HA' (nmrStar names),'A.7.HN' (nmrStar names) not linked" c16510_2ke1 1 753 2 426 1 "Not handling restraint 426, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HB2' (nmrStar names) not linked" c16510_2ke1 1 754 2 427 1 "Not handling restraint 427, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HG1' (nmrStar names) not linked" c16510_2ke1 1 755 2 428 1 "Not handling restraint 428, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HG2' (nmrStar names) not linked" c16510_2ke1 1 756 2 429 1 "Not handling restraint 429, item 1, resonance(s) 'A.8.HB1' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 757 2 430 1 "Not handling restraint 430, item 1, resonance(s) 'A.8.HB2' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 758 2 431 1 "Not handling restraint 431, item 1, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 759 2 432 1 "Not handling restraint 432, item 1, resonance(s) 'A.8.HG2' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 760 2 433 1 "Not handling restraint 433, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.9.HA' (nmrStar names) not linked" c16510_2ke1 1 761 2 433 1 "Not handling restraint 433, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.9.HA' (nmrStar names) not linked" c16510_2ke1 1 762 2 433 1 "Not handling restraint 433, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.9.HA' (nmrStar names) not linked" c16510_2ke1 1 763 2 434 1 "Not handling restraint 434, item 1, resonance(s) 'A.9.HB1' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 764 2 435 1 "Not handling restraint 435, item 1, resonance(s) 'A.17.HA1' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 765 2 436 1 "Not handling restraint 436, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.11.HN' (nmrStar names) not linked" c16510_2ke1 1 766 2 437 1 "Not handling restraint 437, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.13.HB' (nmrStar names) not linked" c16510_2ke1 1 767 2 438 1 "Not handling restraint 438, item 1, resonance(s) 'A.12.HA' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 768 2 439 1 "Not handling restraint 439, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 769 2 439 1 "Not handling restraint 439, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 770 2 439 1 "Not handling restraint 439, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 771 2 440 1 "Not handling restraint 440, item 1, resonance(s) 'A.13.HA' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 772 2 441 1 "Not handling restraint 441, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 773 2 442 1 "Not handling restraint 442, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 774 2 442 1 "Not handling restraint 442, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 775 2 442 1 "Not handling restraint 442, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 776 2 443 1 "Not handling restraint 443, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 777 2 443 1 "Not handling restraint 443, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 778 2 443 1 "Not handling restraint 443, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 779 2 444 1 "Not handling restraint 444, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 780 2 444 1 "Not handling restraint 444, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 781 2 444 1 "Not handling restraint 444, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 1 782 2 445 1 "Not handling restraint 445, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.14.HB1' (nmrStar names) not linked" c16510_2ke1 1 783 2 445 1 "Not handling restraint 445, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.14.HB1' (nmrStar names) not linked" c16510_2ke1 1 784 2 445 1 "Not handling restraint 445, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.14.HB1' (nmrStar names) not linked" c16510_2ke1 1 785 2 446 1 "Not handling restraint 446, item 1, resonance(s) 'A.14.HA' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 786 2 447 1 "Not handling restraint 447, item 1, resonance(s) 'A.14.HB1' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 787 2 448 1 "Not handling restraint 448, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.14.HB1' (nmrStar names) not linked" c16510_2ke1 1 788 2 449 1 "Not handling restraint 449, item 1, resonance(s) 'A.14.HB2' (nmrStar names),'A.15.HG2' (nmrStar names) not linked" c16510_2ke1 1 789 2 450 1 "Not handling restraint 450, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 1 790 2 450 1 "Not handling restraint 450, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 1 791 2 450 1 "Not handling restraint 450, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 1 792 2 451 1 "Not handling restraint 451, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 793 2 452 1 "Not handling restraint 452, item 1, resonance(s) 'A.8.HA' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 794 2 453 1 "Not handling restraint 453, item 1, resonance(s) 'A.15.HB2' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 795 2 454 1 "Not handling restraint 454, item 1, resonance(s) 'A.16.HA' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 796 2 455 1 "Not handling restraint 455, item 1, resonance(s) 'A.17.HN' (nmrStar names),'A.16.HA' (nmrStar names) not linked" c16510_2ke1 1 797 2 456 1 "Not handling restraint 456, item 1, resonance(s) 'A.16.HB2' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 798 2 457 1 "Not handling restraint 457, item 1, resonance(s) 'A.17.HN' (nmrStar names),'A.16.HB1' (nmrStar names) not linked" c16510_2ke1 1 799 2 458 1 "Not handling restraint 458, item 1, resonance(s) 'A.17.HN' (nmrStar names),'A.16.HB2' (nmrStar names) not linked" c16510_2ke1 1 800 2 459 1 "Not handling restraint 459, item 1, resonance(s) 'A.17.HN' (nmrStar names),'A.17.HA1' (nmrStar names) not linked" c16510_2ke1 1 801 2 460 1 "Not handling restraint 460, item 1, resonance(s) 'A.17.HN' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 802 2 461 1 "Not handling restraint 461, item 2, resonance(s) 'A.17.HA1' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 803 2 461 1 "Not handling restraint 461, item 3, resonance(s) 'A.17.HA1' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 804 2 461 1 "Not handling restraint 461, item 4, resonance(s) 'A.17.HA1' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 805 2 462 1 "Not handling restraint 462, item 1, resonance(s) 'A.18.HN' (nmrStar names),'A.18.HA2' (nmrStar names) not linked" c16510_2ke1 1 806 2 463 1 "Not handling restraint 463, item 1, resonance(s) 'A.18.HN' (nmrStar names),'A.18.HA1' (nmrStar names) not linked" c16510_2ke1 1 807 2 464 1 "Not handling restraint 464, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HA' (nmrStar names) not linked" c16510_2ke1 1 808 2 465 1 "Not handling restraint 465, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HG1' (nmrStar names) not linked" c16510_2ke1 1 809 2 466 1 "Not handling restraint 466, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HG2' (nmrStar names) not linked" c16510_2ke1 1 810 2 467 1 "Not handling restraint 467, item 1, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HB1' (nmrStar names) not linked" c16510_2ke1 1 811 2 468 1 "Not handling restraint 468, item 1, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 812 2 469 1 "Not handling restraint 469, item 2, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 813 2 469 1 "Not handling restraint 469, item 3, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 814 2 469 1 "Not handling restraint 469, item 4, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 815 2 470 1 "Not handling restraint 470, item 2, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HD21' (nmrStar names) not linked" c16510_2ke1 1 816 2 470 1 "Not handling restraint 470, item 3, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HD23' (nmrStar names) not linked" c16510_2ke1 1 817 2 470 1 "Not handling restraint 470, item 4, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HD22' (nmrStar names) not linked" c16510_2ke1 1 818 2 471 1 "Not handling restraint 471, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HA' (nmrStar names) not linked" c16510_2ke1 1 819 2 472 1 "Not handling restraint 472, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 1 820 2 473 1 "Not handling restraint 473, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 821 2 474 1 "Not handling restraint 474, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 822 2 475 1 "Not handling restraint 475, item 1, resonance(s) 'A.8.HB1' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 823 2 476 1 "Not handling restraint 476, item 1, resonance(s) 'A.8.HB2' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 824 2 477 1 "Not handling restraint 477, item 1, resonance(s) 'A.8.HB1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 825 2 478 1 "Not handling restraint 478, item 1, resonance(s) 'A.8.HB2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 826 2 479 1 "Not handling restraint 479, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 827 2 480 1 "Not handling restraint 480, item 1, resonance(s) 'A.11.HN' (nmrStar names),'A.10.HB2' (nmrStar names) not linked" c16510_2ke1 1 828 2 481 1 "Not handling restraint 481, item 1, resonance(s) 'A.10.HB1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 829 2 482 1 "Not handling restraint 482, item 1, resonance(s) 'A.10.HB2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 830 2 483 1 "Not handling restraint 483, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 831 2 483 1 "Not handling restraint 483, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 832 2 483 1 "Not handling restraint 483, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 833 2 484 1 "Not handling restraint 484, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HG21' (nmrStar names) not linked" c16510_2ke1 1 834 2 484 1 "Not handling restraint 484, item 3, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HG22' (nmrStar names) not linked" c16510_2ke1 1 835 2 484 1 "Not handling restraint 484, item 4, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HG23' (nmrStar names) not linked" c16510_2ke1 1 836 2 484 1 "Not handling restraint 484, item 5, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HG21' (nmrStar names) not linked" c16510_2ke1 1 837 2 484 1 "Not handling restraint 484, item 6, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HG22' (nmrStar names) not linked" c16510_2ke1 1 838 2 484 1 "Not handling restraint 484, item 7, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HG23' (nmrStar names) not linked" c16510_2ke1 1 839 2 485 1 "Not handling restraint 485, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 840 2 485 1 "Not handling restraint 485, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 841 2 485 1 "Not handling restraint 485, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 842 2 486 1 "Not handling restraint 486, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 1 843 2 487 1 "Not handling restraint 487, item 1, resonance(s) 'A.14.HB1' (nmrStar names),'A.15.HB1' (nmrStar names) not linked" c16510_2ke1 1 844 2 488 1 "Not handling restraint 488, item 1, resonance(s) 'A.16.HB1' (nmrStar names),'A.15.HA' (nmrStar names) not linked" c16510_2ke1 1 845 2 489 1 "Not handling restraint 489, item 1, resonance(s) 'A.18.HN' (nmrStar names),'A.17.HA2' (nmrStar names) not linked" c16510_2ke1 1 846 2 490 1 "Not handling restraint 490, item 1, resonance(s) 'A.18.HN' (nmrStar names),'A.17.HA1' (nmrStar names) not linked" c16510_2ke1 1 847 2 491 1 "Not handling restraint 491, item 1, resonance(s) 'A.31.HE2' (nmrStar names),'A.18.HA1' (nmrStar names) not linked" c16510_2ke1 1 848 2 492 1 "Not handling restraint 492, item 1, resonance(s) 'A.31.HE2' (nmrStar names),'A.18.HA2' (nmrStar names) not linked" c16510_2ke1 1 849 2 493 1 "Not handling restraint 493, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.18.HA2' (nmrStar names) not linked" c16510_2ke1 1 850 2 494 1 "Not handling restraint 494, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 1 851 2 495 1 "Not handling restraint 495, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 852 2 495 1 "Not handling restraint 495, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 853 2 495 1 "Not handling restraint 495, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 854 2 496 1 "Not handling restraint 496, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.11.HN' (nmrStar names) not linked" c16510_2ke1 1 855 2 496 1 "Not handling restraint 496, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.11.HN' (nmrStar names) not linked" c16510_2ke1 1 856 2 496 1 "Not handling restraint 496, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.11.HN' (nmrStar names) not linked" c16510_2ke1 1 857 2 497 1 "Not handling restraint 497, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.19.HA' (nmrStar names) not linked" c16510_2ke1 1 858 2 497 1 "Not handling restraint 497, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.19.HA' (nmrStar names) not linked" c16510_2ke1 1 859 2 497 1 "Not handling restraint 497, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.19.HA' (nmrStar names) not linked" c16510_2ke1 1 860 2 498 1 "Not handling restraint 498, item 1, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 861 2 499 1 "Not handling restraint 499, item 2, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 862 2 499 1 "Not handling restraint 499, item 3, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 863 2 499 1 "Not handling restraint 499, item 4, resonance(s) 'A.47.HE3' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 864 2 500 1 "Not handling restraint 500, item 2, resonance(s) 'A.47.HZ3' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 865 2 500 1 "Not handling restraint 500, item 3, resonance(s) 'A.47.HZ3' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 866 2 500 1 "Not handling restraint 500, item 4, resonance(s) 'A.47.HZ3' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 867 2 501 1 "Not handling restraint 501, item 2, resonance(s) 'A.47.HH2' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 868 2 501 1 "Not handling restraint 501, item 3, resonance(s) 'A.47.HH2' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 869 2 501 1 "Not handling restraint 501, item 4, resonance(s) 'A.47.HH2' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 870 2 502 1 "Not handling restraint 502, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 871 2 502 1 "Not handling restraint 502, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 872 2 502 1 "Not handling restraint 502, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 873 2 503 1 "Not handling restraint 503, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 874 2 503 1 "Not handling restraint 503, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 875 2 503 1 "Not handling restraint 503, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 876 2 504 1 "Not handling restraint 504, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 877 2 504 1 "Not handling restraint 504, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 878 2 504 1 "Not handling restraint 504, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 1 879 2 505 1 "Not handling restraint 505, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 880 2 506 1 "Not handling restraint 506, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 1 881 2 507 1 "Not handling restraint 507, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 1 882 2 508 1 "Not handling restraint 508, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.22.HB2' (nmrStar names) not linked" c16510_2ke1 1 883 2 509 1 "Not handling restraint 509, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 884 2 510 1 "Not handling restraint 510, item 1, resonance(s) 'A.23.HB2' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 885 2 511 1 "Not handling restraint 511, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" c16510_2ke1 1 886 2 512 1 "Not handling restraint 512, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" c16510_2ke1 1 887 2 513 1 "Not handling restraint 513, item 2, resonance(s) 'A.30.HE1' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" c16510_2ke1 1 888 2 513 1 "Not handling restraint 513, item 3, resonance(s) 'A.30.HE2' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" c16510_2ke1 1 889 2 514 1 "Not handling restraint 514, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" c16510_2ke1 1 890 2 515 1 "Not handling restraint 515, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" c16510_2ke1 1 891 2 516 1 "Not handling restraint 516, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" c16510_2ke1 1 892 2 517 1 "Not handling restraint 517, item 1, resonance(s) 'A.24.HB1' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 893 2 518 1 "Not handling restraint 518, item 1, resonance(s) 'A.25.HA2' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 894 2 519 1 "Not handling restraint 519, item 1, resonance(s) 'A.25.HA1' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 895 2 520 1 "Not handling restraint 520, item 1, resonance(s) 'A.25.HA1' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 896 2 521 1 "Not handling restraint 521, item 1, resonance(s) 'A.26.HA' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 897 2 522 1 "Not handling restraint 522, item 1, resonance(s) 'A.26.HB1' (nmrStar names),'A.27.HD2' (nmrStar names) not linked" c16510_2ke1 1 898 2 523 1 "Not handling restraint 523, item 1, resonance(s) 'A.27.HD1' (nmrStar names),'A.26.HB2' (nmrStar names) not linked" c16510_2ke1 1 899 2 524 1 "Not handling restraint 524, item 1, resonance(s) 'A.27.HD2' (nmrStar names),'A.26.HB2' (nmrStar names) not linked" c16510_2ke1 1 900 2 525 1 "Not handling restraint 525, item 1, resonance(s) 'A.27.HD1' (nmrStar names),'A.27.HD2' (nmrStar names) not linked" c16510_2ke1 1 901 2 526 1 "Not handling restraint 526, item 1, resonance(s) 'A.28.HA' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 902 2 527 1 "Not handling restraint 527, item 1, resonance(s) 'A.28.HB1' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 903 2 528 1 "Not handling restraint 528, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.28.HD1' (nmrStar names) not linked" c16510_2ke1 1 904 2 529 1 "Not handling restraint 529, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.28.HD2' (nmrStar names) not linked" c16510_2ke1 1 905 2 530 1 "Not handling restraint 530, item 1, resonance(s) 'A.29.HA' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 906 2 531 1 "Not handling restraint 531, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.29.HA' (nmrStar names) not linked" c16510_2ke1 1 907 2 532 1 "Not handling restraint 532, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.29.HA' (nmrStar names) not linked" c16510_2ke1 1 908 2 532 1 "Not handling restraint 532, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.29.HA' (nmrStar names) not linked" c16510_2ke1 1 909 2 533 1 "Not handling restraint 533, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 910 2 533 1 "Not handling restraint 533, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 911 2 533 1 "Not handling restraint 533, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 912 2 534 1 "Not handling restraint 534, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 913 2 534 1 "Not handling restraint 534, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 914 2 534 1 "Not handling restraint 534, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 1 915 2 535 1 "Not handling restraint 535, item 1, resonance(s) 'A.30.HA' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 916 2 536 1 "Not handling restraint 536, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 917 2 537 1 "Not handling restraint 537, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 918 2 538 1 "Not handling restraint 538, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 919 2 539 1 "Not handling restraint 539, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 920 2 539 1 "Not handling restraint 539, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 921 2 539 1 "Not handling restraint 539, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.30.HA' (nmrStar names) not linked" c16510_2ke1 1 922 2 540 1 "Not handling restraint 540, item 1, resonance(s) 'A.30.HB1' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 923 2 541 1 "Not handling restraint 541, item 1, resonance(s) 'A.30.HB2' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 924 2 542 1 "Not handling restraint 542, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 925 2 542 1 "Not handling restraint 542, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.30.HB2' (nmrStar names) not linked" c16510_2ke1 1 926 2 543 1 "Not handling restraint 543, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 927 2 543 1 "Not handling restraint 543, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 928 2 544 1 "Not handling restraint 544, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.31.HA' (nmrStar names) not linked" c16510_2ke1 1 929 2 545 1 "Not handling restraint 545, item 1, resonance(s) 'A.31.HA' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 930 2 546 1 "Not handling restraint 546, item 1, resonance(s) 'A.31.HA' (nmrStar names),'A.32.HG' (nmrStar names) not linked" c16510_2ke1 1 931 2 547 1 "Not handling restraint 547, item 2, resonance(s) 'A.31.HA' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 932 2 547 1 "Not handling restraint 547, item 3, resonance(s) 'A.31.HA' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 933 2 547 1 "Not handling restraint 547, item 4, resonance(s) 'A.31.HA' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 934 2 548 1 "Not handling restraint 548, item 1, resonance(s) 'A.31.HB1' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 935 2 549 1 "Not handling restraint 549, item 1, resonance(s) 'A.31.HB2' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 936 2 550 1 "Not handling restraint 550, item 1, resonance(s) 'A.31.HB2' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 937 2 551 1 "Not handling restraint 551, item 1, resonance(s) 'A.31.HB1' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 938 2 552 1 "Not handling restraint 552, item 1, resonance(s) 'A.34.HB1' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 939 2 553 1 "Not handling restraint 553, item 2, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HB2' (nmrStar names) not linked" c16510_2ke1 1 940 2 553 1 "Not handling restraint 553, item 3, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HB3' (nmrStar names) not linked" c16510_2ke1 1 941 2 553 1 "Not handling restraint 553, item 4, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HB1' (nmrStar names) not linked" c16510_2ke1 1 942 2 554 1 "Not handling restraint 554, item 2, resonance(s) 'A.33.HB2' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 943 2 554 1 "Not handling restraint 554, item 3, resonance(s) 'A.33.HB3' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 944 2 554 1 "Not handling restraint 554, item 4, resonance(s) 'A.33.HB1' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 945 2 555 1 "Not handling restraint 555, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HB1' (nmrStar names) not linked" c16510_2ke1 1 946 2 556 1 "Not handling restraint 556, item 1, resonance(s) 'A.32.HB1' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 947 2 557 1 "Not handling restraint 557, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HG' (nmrStar names) not linked" c16510_2ke1 1 948 2 558 1 "Not handling restraint 558, item 2, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HD13' (nmrStar names) not linked" c16510_2ke1 1 949 2 558 1 "Not handling restraint 558, item 3, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HD11' (nmrStar names) not linked" c16510_2ke1 1 950 2 558 1 "Not handling restraint 558, item 4, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HD12' (nmrStar names) not linked" c16510_2ke1 1 951 2 559 1 "Not handling restraint 559, item 2, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 952 2 559 1 "Not handling restraint 559, item 3, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 953 2 559 1 "Not handling restraint 559, item 4, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 954 2 560 1 "Not handling restraint 560, item 2, resonance(s) 'A.32.HD21' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 955 2 560 1 "Not handling restraint 560, item 3, resonance(s) 'A.32.HD23' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 956 2 560 1 "Not handling restraint 560, item 4, resonance(s) 'A.32.HD22' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 957 2 561 1 "Not handling restraint 561, item 2, resonance(s) 'A.32.HD21' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 958 2 561 1 "Not handling restraint 561, item 3, resonance(s) 'A.32.HD23' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 959 2 561 1 "Not handling restraint 561, item 4, resonance(s) 'A.32.HD22' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 960 2 562 1 "Not handling restraint 562, item 10, resonance(s) 'A.21.HD13' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 961 2 562 1 "Not handling restraint 562, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 962 2 562 1 "Not handling restraint 562, item 3, resonance(s) 'A.21.HD11' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 963 2 562 1 "Not handling restraint 562, item 4, resonance(s) 'A.21.HD11' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 964 2 562 1 "Not handling restraint 562, item 5, resonance(s) 'A.21.HD12' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 965 2 562 1 "Not handling restraint 562, item 6, resonance(s) 'A.21.HD12' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 966 2 562 1 "Not handling restraint 562, item 7, resonance(s) 'A.21.HD12' (nmrStar names),'A.32.HD22' (nmrStar names) not linked" c16510_2ke1 1 967 2 562 1 "Not handling restraint 562, item 8, resonance(s) 'A.21.HD13' (nmrStar names),'A.32.HD21' (nmrStar names) not linked" c16510_2ke1 1 968 2 562 1 "Not handling restraint 562, item 9, resonance(s) 'A.21.HD13' (nmrStar names),'A.32.HD23' (nmrStar names) not linked" c16510_2ke1 1 969 2 563 1 "Not handling restraint 563, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 970 2 564 1 "Not handling restraint 564, item 1, resonance(s) 'A.42.HA' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 971 2 565 1 "Not handling restraint 565, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 972 2 565 1 "Not handling restraint 565, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 973 2 565 1 "Not handling restraint 565, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 1 974 2 566 1 "Not handling restraint 566, item 1, resonance(s) 'A.33.HA' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 975 2 567 1 "Not handling restraint 567, item 1, resonance(s) 'A.34.HB1' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 976 2 568 1 "Not handling restraint 568, item 1, resonance(s) 'A.31.HB1' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 977 2 569 1 "Not handling restraint 569, item 1, resonance(s) 'A.34.HB2' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 1 978 2 570 1 "Not handling restraint 570, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.34.HB1' (nmrStar names) not linked" c16510_2ke1 1 979 2 571 1 "Not handling restraint 571, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 980 2 572 1 "Not handling restraint 572, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 981 2 573 1 "Not handling restraint 573, item 1, resonance(s) 'A.35.HB1' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 982 2 574 1 "Not handling restraint 574, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 983 2 575 1 "Not handling restraint 575, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 984 2 576 1 "Not handling restraint 576, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.43.HG1' (nmrStar names) not linked" c16510_2ke1 1 985 2 577 1 "Not handling restraint 577, item 1, resonance(s) 'A.35.HG' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 986 2 578 1 "Not handling restraint 578, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 987 2 578 1 "Not handling restraint 578, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 988 2 578 1 "Not handling restraint 578, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 989 2 579 1 "Not handling restraint 579, item 2, resonance(s) 'A.30.HZ' (nmrStar names),'A.35.HD13' (nmrStar names) not linked" c16510_2ke1 1 990 2 579 1 "Not handling restraint 579, item 3, resonance(s) 'A.30.HZ' (nmrStar names),'A.35.HD11' (nmrStar names) not linked" c16510_2ke1 1 991 2 579 1 "Not handling restraint 579, item 4, resonance(s) 'A.30.HZ' (nmrStar names),'A.35.HD12' (nmrStar names) not linked" c16510_2ke1 1 992 2 580 1 "Not handling restraint 580, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 993 2 580 1 "Not handling restraint 580, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 994 2 580 1 "Not handling restraint 580, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 995 2 581 1 "Not handling restraint 581, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 996 2 581 1 "Not handling restraint 581, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 997 2 581 1 "Not handling restraint 581, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 998 2 582 1 "Not handling restraint 582, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 999 2 582 1 "Not handling restraint 582, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 1000 2 582 1 "Not handling restraint 582, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 1 1001 2 583 1 "Not handling restraint 583, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1002 2 583 1 "Not handling restraint 583, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1003 2 583 1 "Not handling restraint 583, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1004 2 584 1 "Not handling restraint 584, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 1005 2 584 1 "Not handling restraint 584, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 1006 2 584 1 "Not handling restraint 584, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 1007 2 585 1 "Not handling restraint 585, item 1, resonance(s) 'A.36.HB1' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1008 2 586 1 "Not handling restraint 586, item 1, resonance(s) 'A.36.HB2' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1009 2 587 1 "Not handling restraint 587, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.36.HB1' (nmrStar names) not linked" c16510_2ke1 1 1010 2 588 1 "Not handling restraint 588, item 1, resonance(s) 'A.35.HA' (nmrStar names),'A.36.HB2' (nmrStar names) not linked" c16510_2ke1 1 1011 2 589 1 "Not handling restraint 589, item 1, resonance(s) 'A.36.HA' (nmrStar names),'A.37.HA' (nmrStar names) not linked" c16510_2ke1 1 1012 2 590 1 "Not handling restraint 590, item 1, resonance(s) 'A.35.HB1' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 1 1013 2 591 1 "Not handling restraint 591, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 1 1014 2 591 1 "Not handling restraint 591, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 1 1015 2 591 1 "Not handling restraint 591, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 1 1016 2 592 1 "Not handling restraint 592, item 1, resonance(s) 'A.38.HB2' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 1 1017 2 593 1 "Not handling restraint 593, item 1, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1018 2 594 1 "Not handling restraint 594, item 2, resonance(s) 'A.39.HD13' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1019 2 594 1 "Not handling restraint 594, item 3, resonance(s) 'A.39.HD11' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1020 2 594 1 "Not handling restraint 594, item 4, resonance(s) 'A.39.HD12' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1021 2 595 1 "Not handling restraint 595, item 2, resonance(s) 'A.43.HD2' (nmrStar names),'A.39.HD13' (nmrStar names) not linked" c16510_2ke1 1 1022 2 595 1 "Not handling restraint 595, item 3, resonance(s) 'A.43.HD2' (nmrStar names),'A.39.HD11' (nmrStar names) not linked" c16510_2ke1 1 1023 2 595 1 "Not handling restraint 595, item 4, resonance(s) 'A.43.HD2' (nmrStar names),'A.39.HD12' (nmrStar names) not linked" c16510_2ke1 1 1024 2 596 1 "Not handling restraint 596, item 1, resonance(s) 'A.42.HG11' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1025 2 597 1 "Not handling restraint 597, item 1, resonance(s) 'A.41.HA' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1026 2 598 1 "Not handling restraint 598, item 1, resonance(s) 'A.41.HA' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1027 2 599 1 "Not handling restraint 599, item 1, resonance(s) 'A.41.HB1' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1028 2 600 1 "Not handling restraint 600, item 1, resonance(s) 'A.41.HB1' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1029 2 601 1 "Not handling restraint 601, item 1, resonance(s) 'A.42.HG12' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1030 2 602 1 "Not handling restraint 602, item 2, resonance(s) 'A.42.HG22' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1031 2 602 1 "Not handling restraint 602, item 3, resonance(s) 'A.42.HG23' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1032 2 602 1 "Not handling restraint 602, item 4, resonance(s) 'A.42.HG21' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1033 2 603 1 "Not handling restraint 603, item 1, resonance(s) 'A.43.HA' (nmrStar names),'A.44.HN' (nmrStar names) not linked" c16510_2ke1 1 1034 2 604 1 "Not handling restraint 604, item 1, resonance(s) 'A.43.HB2' (nmrStar names),'A.44.HN' (nmrStar names) not linked" c16510_2ke1 1 1035 2 605 1 "Not handling restraint 605, item 1, resonance(s) 'A.47.HD1' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 1036 2 606 1 "Not handling restraint 606, item 2, resonance(s) 'A.43.HD1' (nmrStar names),'A.42.HG22' (nmrStar names) not linked" c16510_2ke1 1 1037 2 606 1 "Not handling restraint 606, item 3, resonance(s) 'A.43.HD1' (nmrStar names),'A.42.HG23' (nmrStar names) not linked" c16510_2ke1 1 1038 2 606 1 "Not handling restraint 606, item 4, resonance(s) 'A.43.HD1' (nmrStar names),'A.42.HG21' (nmrStar names) not linked" c16510_2ke1 1 1039 2 607 1 "Not handling restraint 607, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.43.HD1' (nmrStar names) not linked" c16510_2ke1 1 1040 2 607 1 "Not handling restraint 607, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.43.HD1' (nmrStar names) not linked" c16510_2ke1 1 1041 2 607 1 "Not handling restraint 607, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.43.HD1' (nmrStar names) not linked" c16510_2ke1 1 1042 2 608 1 "Not handling restraint 608, item 2, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 1 1043 2 608 1 "Not handling restraint 608, item 3, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 1 1044 2 608 1 "Not handling restraint 608, item 4, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 1 1045 2 609 1 "Not handling restraint 609, item 1, resonance(s) 'A.45.HN' (nmrStar names),'A.45.HA2' (nmrStar names) not linked" c16510_2ke1 1 1046 2 610 1 "Not handling restraint 610, item 1, resonance(s) 'A.45.HA2' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1047 2 611 1 "Not handling restraint 611, item 1, resonance(s) 'A.46.HB' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1048 2 612 1 "Not handling restraint 612, item 1, resonance(s) 'A.46.HB' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1049 2 613 1 "Not handling restraint 613, item 2, resonance(s) 'A.46.HG22' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1050 2 613 1 "Not handling restraint 613, item 3, resonance(s) 'A.46.HG21' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1051 2 613 1 "Not handling restraint 613, item 4, resonance(s) 'A.46.HG23' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1052 2 614 1 "Not handling restraint 614, item 2, resonance(s) 'A.46.HG22' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1053 2 614 1 "Not handling restraint 614, item 3, resonance(s) 'A.46.HG21' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1054 2 614 1 "Not handling restraint 614, item 4, resonance(s) 'A.46.HG23' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1055 2 615 1 "Not handling restraint 615, item 1, resonance(s) 'A.47.HA' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1056 2 616 1 "Not handling restraint 616, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.47.HA' (nmrStar names) not linked" c16510_2ke1 1 1057 2 617 1 "Not handling restraint 617, item 1, resonance(s) 'A.47.HB1' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 1 1058 2 618 1 "Not handling restraint 618, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1059 2 619 1 "Not handling restraint 619, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HN' (nmrStar names) not linked" c16510_2ke1 1 1060 2 620 1 "Not handling restraint 620, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.23.HA' (nmrStar names) not linked" c16510_2ke1 1 1061 2 621 1 "Not handling restraint 621, item 1, resonance(s) 'A.48.HB2' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1062 2 622 1 "Not handling restraint 622, item 2, resonance(s) 'A.48.HB1' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 1063 2 622 1 "Not handling restraint 622, item 3, resonance(s) 'A.48.HB1' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 1064 2 622 1 "Not handling restraint 622, item 4, resonance(s) 'A.48.HB1' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 1065 2 623 1 "Not handling restraint 623, item 2, resonance(s) 'A.48.HB2' (nmrStar names),'A.53.HD21' (nmrStar names) not linked" c16510_2ke1 1 1066 2 623 1 "Not handling restraint 623, item 3, resonance(s) 'A.48.HB2' (nmrStar names),'A.53.HD23' (nmrStar names) not linked" c16510_2ke1 1 1067 2 623 1 "Not handling restraint 623, item 4, resonance(s) 'A.48.HB2' (nmrStar names),'A.53.HD22' (nmrStar names) not linked" c16510_2ke1 1 1068 2 624 1 "Not handling restraint 624, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 1 1069 2 625 1 "Not handling restraint 625, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 1 1070 2 626 1 "Not handling restraint 626, item 1, resonance(s) 'A.49.HN' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 1 1071 2 627 1 "Not handling restraint 627, item 1, resonance(s) 'A.48.HG1' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1072 2 628 1 "Not handling restraint 628, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 1 1073 2 629 1 "Not handling restraint 629, item 1, resonance(s) 'A.48.HG1' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 1 1074 2 630 1 "Not handling restraint 630, item 1, resonance(s) 'A.48.HG1' (nmrStar names),'A.52.HB1' (nmrStar names) not linked" c16510_2ke1 1 1075 2 631 1 "Not handling restraint 631, item 1, resonance(s) 'A.49.HA' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1076 2 632 1 "Not handling restraint 632, item 1, resonance(s) 'A.49.HA' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1077 2 633 1 "Not handling restraint 633, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 1078 2 634 1 "Not handling restraint 634, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 1079 2 635 1 "Not handling restraint 635, item 1, resonance(s) 'A.47.HH2' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 1080 2 636 1 "Not handling restraint 636, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 1081 2 636 1 "Not handling restraint 636, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 1082 2 636 1 "Not handling restraint 636, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.49.HA' (nmrStar names) not linked" c16510_2ke1 1 1083 2 637 1 "Not handling restraint 637, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1084 2 638 1 "Not handling restraint 638, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1085 2 639 1 "Not handling restraint 639, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.49.HB2' (nmrStar names) not linked" c16510_2ke1 1 1086 2 640 1 "Not handling restraint 640, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 1 1087 2 641 1 "Not handling restraint 641, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 1 1088 2 642 1 "Not handling restraint 642, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.47.HZ3' (nmrStar names) not linked" c16510_2ke1 1 1089 2 643 1 "Not handling restraint 643, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 1 1090 2 644 1 "Not handling restraint 644, item 1, resonance(s) 'A.50.HA' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1091 2 645 1 "Not handling restraint 645, item 1, resonance(s) 'A.51.HB2' (nmrStar names),'A.51.HN' (nmrStar names) not linked" c16510_2ke1 1 1092 2 646 1 "Not handling restraint 646, item 1, resonance(s) 'A.52.HA' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1093 2 647 1 "Not handling restraint 647, item 1, resonance(s) 'A.52.HA' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 1 1094 2 648 1 "Not handling restraint 648, item 1, resonance(s) 'A.52.HB1' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1095 2 649 1 "Not handling restraint 649, item 1, resonance(s) 'A.52.HB1' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1096 2 650 1 "Not handling restraint 650, item 1, resonance(s) 'A.52.HB1' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 1 1097 2 651 1 "Not handling restraint 651, item 1, resonance(s) 'A.53.HA' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1098 2 652 1 "Not handling restraint 652, item 1, resonance(s) 'A.53.HB1' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1099 2 653 1 "Not handling restraint 653, item 1, resonance(s) 'A.53.HB2' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1100 2 654 1 "Not handling restraint 654, item 1, resonance(s) 'A.53.HB2' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1101 2 655 1 "Not handling restraint 655, item 1, resonance(s) 'A.54.HN' (nmrStar names),'A.54.HB1' (nmrStar names) not linked" c16510_2ke1 1 1102 2 656 1 "Not handling restraint 656, item 1, resonance(s) 'A.54.HB2' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1103 2 657 1 "Not handling restraint 657, item 1, resonance(s) 'A.53.HB1' (nmrStar names),'A.54.HB2' (nmrStar names) not linked" c16510_2ke1 1 1104 2 658 1 "Not handling restraint 658, item 2, resonance(s) 'A.55.HB2' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 1 1105 2 658 1 "Not handling restraint 658, item 3, resonance(s) 'A.55.HB3' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 1 1106 2 658 1 "Not handling restraint 658, item 4, resonance(s) 'A.55.HB1' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 1 1107 2 659 1 "Not handling restraint 659, item 1, resonance(s) 'A.55.HA' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 1 1108 2 660 1 "Not handling restraint 660, item 2, resonance(s) 'A.56.HG22' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1109 2 660 1 "Not handling restraint 660, item 3, resonance(s) 'A.56.HG21' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1110 2 660 1 "Not handling restraint 660, item 4, resonance(s) 'A.56.HG23' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1111 2 661 1 "Not handling restraint 661, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.61.HN' (nmrStar names) not linked" c16510_2ke1 1 1112 2 662 1 "Not handling restraint 662, item 1, resonance(s) 'A.61.HA' (nmrStar names),'A.62.HD2' (nmrStar names) not linked" c16510_2ke1 1 1113 2 663 1 "Not handling restraint 663, item 1, resonance(s) 'A.62.HA' (nmrStar names),'A.63.HN' (nmrStar names) not linked" c16510_2ke1 1 1114 2 664 1 "Not handling restraint 664, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1115 2 664 1 "Not handling restraint 664, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1116 2 664 1 "Not handling restraint 664, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1117 2 665 1 "Not handling restraint 665, item 1, resonance(s) 'A.38.HA' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1118 2 666 1 "Not handling restraint 666, item 1, resonance(s) 'A.20.HB2' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1119 2 667 1 "Not handling restraint 667, item 1, resonance(s) 'B.76.HG1' (nmrStar names),'A.18.HA2' (nmrStar names) not linked" c16510_2ke1 1 1120 2 668 1 "Not handling restraint 668, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 1 1121 2 669 1 "Not handling restraint 669, item 1, resonance(s) 'A.48.HB1' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1122 2 670 1 "Not handling restraint 670, item 2, resonance(s) 'A.18.HN' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 1123 2 670 1 "Not handling restraint 670, item 3, resonance(s) 'A.18.HN' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 1124 2 670 1 "Not handling restraint 670, item 4, resonance(s) 'A.18.HN' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 1125 2 671 1 "Not handling restraint 671, item 2, resonance(s) 'A.31.HD2' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 1126 2 671 1 "Not handling restraint 671, item 3, resonance(s) 'A.31.HD2' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 1127 2 671 1 "Not handling restraint 671, item 4, resonance(s) 'A.31.HD2' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 1128 2 672 1 "Not handling restraint 672, item 1, resonance(s) 'A.18.HN' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 1129 2 673 1 "Not handling restraint 673, item 2, resonance(s) 'A.32.HD21' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1130 2 673 1 "Not handling restraint 673, item 3, resonance(s) 'A.32.HD23' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1131 2 673 1 "Not handling restraint 673, item 4, resonance(s) 'A.32.HD22' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1132 2 674 1 "Not handling restraint 674, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1133 2 674 1 "Not handling restraint 674, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1134 2 674 1 "Not handling restraint 674, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1135 2 675 1 "Not handling restraint 675, item 2, resonance(s) 'A.32.HN' (nmrStar names),'A.33.HB2' (nmrStar names) not linked" c16510_2ke1 1 1136 2 675 1 "Not handling restraint 675, item 3, resonance(s) 'A.32.HN' (nmrStar names),'A.33.HB3' (nmrStar names) not linked" c16510_2ke1 1 1137 2 675 1 "Not handling restraint 675, item 4, resonance(s) 'A.32.HN' (nmrStar names),'A.33.HB1' (nmrStar names) not linked" c16510_2ke1 1 1138 2 676 1 "Not handling restraint 676, item 2, resonance(s) 'A.21.HB' (nmrStar names),'A.42.HD11' (nmrStar names) not linked" c16510_2ke1 1 1139 2 676 1 "Not handling restraint 676, item 3, resonance(s) 'A.21.HB' (nmrStar names),'A.42.HD12' (nmrStar names) not linked" c16510_2ke1 1 1140 2 676 1 "Not handling restraint 676, item 4, resonance(s) 'A.21.HB' (nmrStar names),'A.42.HD13' (nmrStar names) not linked" c16510_2ke1 1 1141 2 677 1 "Not handling restraint 677, item 1, resonance(s) 'A.24.HB2' (nmrStar names),'A.25.HA2' (nmrStar names) not linked" c16510_2ke1 1 1142 2 678 1 "Not handling restraint 678, item 1, resonance(s) 'A.24.HB1' (nmrStar names),'A.25.HA2' (nmrStar names) not linked" c16510_2ke1 1 1143 2 679 1 "Not handling restraint 679, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'B.70.HE' (nmrStar names) not linked" c16510_2ke1 1 1144 2 680 1 "Not handling restraint 680, item 1, resonance(s) 'A.7.HA' (nmrStar names),'B.70.HE' (nmrStar names) not linked" c16510_2ke1 1 1145 2 681 1 "Not handling restraint 681, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 1146 2 682 1 "Not handling restraint 682, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 1147 2 683 1 "Not handling restraint 683, item 1, resonance(s) 'A.46.HA' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1148 2 684 1 "Not handling restraint 684, item 1, resonance(s) 'A.47.HB1' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1149 2 685 1 "Not handling restraint 685, item 1, resonance(s) 'A.47.HB2' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1150 2 686 1 "Not handling restraint 686, item 2, resonance(s) 'A.47.HE1' (nmrStar names),'A.39.HD13' (nmrStar names) not linked" c16510_2ke1 1 1151 2 686 1 "Not handling restraint 686, item 3, resonance(s) 'A.47.HE1' (nmrStar names),'A.39.HD11' (nmrStar names) not linked" c16510_2ke1 1 1152 2 686 1 "Not handling restraint 686, item 4, resonance(s) 'A.47.HE1' (nmrStar names),'A.39.HD12' (nmrStar names) not linked" c16510_2ke1 1 1153 2 687 1 "Not handling restraint 687, item 2, resonance(s) 'A.47.HE1' (nmrStar names),'A.39.HD21' (nmrStar names) not linked" c16510_2ke1 1 1154 2 687 1 "Not handling restraint 687, item 3, resonance(s) 'A.47.HE1' (nmrStar names),'A.39.HD23' (nmrStar names) not linked" c16510_2ke1 1 1155 2 687 1 "Not handling restraint 687, item 4, resonance(s) 'A.47.HE1' (nmrStar names),'A.39.HD22' (nmrStar names) not linked" c16510_2ke1 1 1156 2 688 1 "Not handling restraint 688, item 1, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 1 1157 2 689 1 "Not handling restraint 689, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.32.HB2' (nmrStar names) not linked" c16510_2ke1 1 1158 2 690 1 "Not handling restraint 690, item 1, resonance(s) 'A.31.HB1' (nmrStar names),'A.32.HN' (nmrStar names) not linked" c16510_2ke1 1 1159 2 691 1 "Not handling restraint 691, item 1, resonance(s) 'A.49.HB1' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1160 2 692 1 "Not handling restraint 692, item 1, resonance(s) 'A.52.HB2' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1161 2 693 1 "Not handling restraint 693, item 1, resonance(s) 'A.28.HA' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1162 2 694 1 "Not handling restraint 694, item 1, resonance(s) 'A.28.HG1' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1163 2 695 1 "Not handling restraint 695, item 1, resonance(s) 'A.28.HB2' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1164 2 696 1 "Not handling restraint 696, item 1, resonance(s) 'A.28.HB1' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1165 2 697 1 "Not handling restraint 697, item 2, resonance(s) 'A.12.HB2' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1166 2 697 1 "Not handling restraint 697, item 3, resonance(s) 'A.12.HB3' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1167 2 697 1 "Not handling restraint 697, item 4, resonance(s) 'A.12.HB1' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1168 2 698 1 "Not handling restraint 698, item 1, resonance(s) 'A.41.HB2' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1169 2 699 1 "Not handling restraint 699, item 1, resonance(s) 'A.42.HB' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1170 2 700 1 "Not handling restraint 700, item 2, resonance(s) 'A.42.HD11' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1171 2 700 1 "Not handling restraint 700, item 3, resonance(s) 'A.42.HD12' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1172 2 700 1 "Not handling restraint 700, item 4, resonance(s) 'A.42.HD13' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1173 2 701 1 "Not handling restraint 701, item 2, resonance(s) 'A.32.HD13' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1174 2 701 1 "Not handling restraint 701, item 3, resonance(s) 'A.32.HD11' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1175 2 701 1 "Not handling restraint 701, item 4, resonance(s) 'A.32.HD12' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 1 1176 2 702 1 "Not handling restraint 702, item 1, resonance(s) 'A.28.HG2' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 1177 2 703 1 "Not handling restraint 703, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1178 2 704 1 "Not handling restraint 704, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1179 2 705 1 "Not handling restraint 705, item 1, resonance(s) 'A.28.HD1' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 1180 2 706 1 "Not handling restraint 706, item 1, resonance(s) 'A.28.HG1' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 1181 2 707 1 "Not handling restraint 707, item 1, resonance(s) 'A.28.HB2' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 1182 2 708 1 "Not handling restraint 708, item 1, resonance(s) 'A.31.HB2' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1183 2 709 1 "Not handling restraint 709, item 1, resonance(s) 'A.30.HB2' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1184 2 710 1 "Not handling restraint 710, item 1, resonance(s) 'A.30.HB1' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1185 2 711 1 "Not handling restraint 711, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1186 2 711 1 "Not handling restraint 711, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1187 2 711 1 "Not handling restraint 711, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1188 2 712 1 "Not handling restraint 712, item 1, resonance(s) 'A.23.HB2' (nmrStar names),'A.28.HN' (nmrStar names) not linked" c16510_2ke1 1 1189 2 713 1 "Not handling restraint 713, item 1, resonance(s) 'A.21.HB' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1190 2 714 1 "Not handling restraint 714, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1191 2 715 1 "Not handling restraint 715, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 1192 2 716 1 "Not handling restraint 716, item 1, resonance(s) 'A.8.HG1' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 1193 2 717 1 "Not handling restraint 717, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 1194 2 718 1 "Not handling restraint 718, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 1195 2 719 1 "Not handling restraint 719, item 1, resonance(s) 'A.41.HA' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1196 2 720 1 "Not handling restraint 720, item 1, resonance(s) 'A.40.HA' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1197 2 721 1 "Not handling restraint 721, item 1, resonance(s) 'A.39.HA' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1198 2 722 1 "Not handling restraint 722, item 1, resonance(s) 'A.39.HB1' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1199 2 723 1 "Not handling restraint 723, item 1, resonance(s) 'A.43.HG2' (nmrStar names),'A.44.HN' (nmrStar names) not linked" c16510_2ke1 1 1200 2 724 1 "Not handling restraint 724, item 1, resonance(s) 'A.44.HN' (nmrStar names),'A.44.HA' (nmrStar names) not linked" c16510_2ke1 1 1201 2 725 1 "Not handling restraint 725, item 1, resonance(s) 'A.43.HB1' (nmrStar names),'A.44.HN' (nmrStar names) not linked" c16510_2ke1 1 1202 2 726 1 "Not handling restraint 726, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1203 2 726 1 "Not handling restraint 726, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1204 2 726 1 "Not handling restraint 726, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1205 2 727 1 "Not handling restraint 727, item 1, resonance(s) 'A.45.HN' (nmrStar names),'A.44.HA' (nmrStar names) not linked" c16510_2ke1 1 1206 2 728 1 "Not handling restraint 728, item 1, resonance(s) 'A.66.HN' (nmrStar names),'A.66.HA' (nmrStar names) not linked" c16510_2ke1 1 1207 2 729 1 "Not handling restraint 729, item 1, resonance(s) 'A.25.HA2' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1208 2 730 1 "Not handling restraint 730, item 1, resonance(s) 'A.23.HB2' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1209 2 731 1 "Not handling restraint 731, item 1, resonance(s) 'A.26.HB1' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1210 2 732 1 "Not handling restraint 732, item 1, resonance(s) 'A.26.HB2' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1211 2 733 1 "Not handling restraint 733, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1212 2 734 1 "Not handling restraint 734, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.48.HB2' (nmrStar names) not linked" c16510_2ke1 1 1213 2 735 1 "Not handling restraint 735, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.48.HB1' (nmrStar names) not linked" c16510_2ke1 1 1214 2 736 1 "Not handling restraint 736, item 1, resonance(s) 'A.47.HB1' (nmrStar names),'A.48.HN' (nmrStar names) not linked" c16510_2ke1 1 1215 2 737 1 "Not handling restraint 737, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HG12' (nmrStar names) not linked" c16510_2ke1 1 1216 2 738 1 "Not handling restraint 738, item 1, resonance(s) 'A.56.HA' (nmrStar names),'A.57.HN' (nmrStar names) not linked" c16510_2ke1 1 1217 2 739 1 "Not handling restraint 739, item 1, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HN' (nmrStar names) not linked" c16510_2ke1 1 1218 2 740 1 "Not handling restraint 740, item 1, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HN' (nmrStar names) not linked" c16510_2ke1 1 1219 2 741 1 "Not handling restraint 741, item 2, resonance(s) 'A.56.HG22' (nmrStar names),'A.57.HN' (nmrStar names) not linked" c16510_2ke1 1 1220 2 741 1 "Not handling restraint 741, item 3, resonance(s) 'A.56.HG21' (nmrStar names),'A.57.HN' (nmrStar names) not linked" c16510_2ke1 1 1221 2 741 1 "Not handling restraint 741, item 4, resonance(s) 'A.56.HG23' (nmrStar names),'A.57.HN' (nmrStar names) not linked" c16510_2ke1 1 1222 2 742 1 "Not handling restraint 742, item 1, resonance(s) 'A.54.HA' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 1 1223 2 743 1 "Not handling restraint 743, item 1, resonance(s) 'A.55.HN' (nmrStar names),'A.54.HB1' (nmrStar names) not linked" c16510_2ke1 1 1224 2 744 1 "Not handling restraint 744, item 1, resonance(s) 'A.38.HA' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1225 2 745 1 "Not handling restraint 745, item 1, resonance(s) 'A.39.HG' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1226 2 746 1 "Not handling restraint 746, item 1, resonance(s) 'A.39.HN' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 1 1227 2 747 1 "Not handling restraint 747, item 2, resonance(s) 'A.39.HD13' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1228 2 747 1 "Not handling restraint 747, item 3, resonance(s) 'A.39.HD11' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1229 2 747 1 "Not handling restraint 747, item 4, resonance(s) 'A.39.HD12' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1230 2 748 1 "Not handling restraint 748, item 2, resonance(s) 'A.39.HD21' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1231 2 748 1 "Not handling restraint 748, item 3, resonance(s) 'A.39.HD23' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1232 2 748 1 "Not handling restraint 748, item 4, resonance(s) 'A.39.HD22' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1233 2 749 1 "Not handling restraint 749, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1234 2 749 1 "Not handling restraint 749, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1235 2 749 1 "Not handling restraint 749, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1236 2 750 1 "Not handling restraint 750, item 1, resonance(s) 'A.38.HB2' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1237 2 751 1 "Not handling restraint 751, item 1, resonance(s) 'A.34.HB1' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1238 2 752 1 "Not handling restraint 752, item 1, resonance(s) 'A.35.HB1' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1239 2 753 1 "Not handling restraint 753, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1240 2 753 1 "Not handling restraint 753, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1241 2 753 1 "Not handling restraint 753, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1242 2 754 1 "Not handling restraint 754, item 1, resonance(s) 'A.53.HA' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1243 2 755 1 "Not handling restraint 755, item 1, resonance(s) 'A.52.HB2' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1244 2 756 1 "Not handling restraint 756, item 1, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1245 2 757 1 "Not handling restraint 757, item 1, resonance(s) 'A.53.HG' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1246 2 758 1 "Not handling restraint 758, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 1247 2 759 1 "Not handling restraint 759, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 1248 2 760 1 "Not handling restraint 760, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 1249 2 761 1 "Not handling restraint 761, item 1, resonance(s) 'A.16.HB1' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 1250 2 762 1 "Not handling restraint 762, item 1, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1251 2 763 1 "Not handling restraint 763, item 1, resonance(s) 'A.53.HG' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1252 2 764 1 "Not handling restraint 764, item 1, resonance(s) 'A.51.HA' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1253 2 765 1 "Not handling restraint 765, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 1254 2 766 1 "Not handling restraint 766, item 1, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 1255 2 767 1 "Not handling restraint 767, item 1, resonance(s) 'A.15.HB1' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 1256 2 768 1 "Not handling restraint 768, item 1, resonance(s) 'A.13.HA' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 1257 2 769 1 "Not handling restraint 769, item 1, resonance(s) 'A.34.HB1' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 1258 2 770 1 "Not handling restraint 770, item 1, resonance(s) 'A.13.HB' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 1259 2 771 1 "Not handling restraint 771, item 1, resonance(s) 'A.15.HG2' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 1260 2 772 1 "Not handling restraint 772, item 1, resonance(s) 'A.10.HG1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1261 2 773 1 "Not handling restraint 773, item 1, resonance(s) 'A.9.HB1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1262 2 774 1 "Not handling restraint 774, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1263 2 774 1 "Not handling restraint 774, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1264 2 774 1 "Not handling restraint 774, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1265 2 775 1 "Not handling restraint 775, item 1, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1266 2 776 1 "Not handling restraint 776, item 1, resonance(s) 'A.34.HB2' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1267 2 777 1 "Not handling restraint 777, item 1, resonance(s) 'A.34.HB1' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1268 2 778 1 "Not handling restraint 778, item 2, resonance(s) 'A.33.HB2' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1269 2 778 1 "Not handling restraint 778, item 3, resonance(s) 'A.33.HB3' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1270 2 778 1 "Not handling restraint 778, item 4, resonance(s) 'A.33.HB1' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1271 2 779 1 "Not handling restraint 779, item 1, resonance(s) 'A.40.HA' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1272 2 780 1 "Not handling restraint 780, item 1, resonance(s) 'A.39.HB1' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1273 2 781 1 "Not handling restraint 781, item 2, resonance(s) 'A.32.HD13' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1274 2 781 1 "Not handling restraint 781, item 3, resonance(s) 'A.32.HD11' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1275 2 781 1 "Not handling restraint 781, item 4, resonance(s) 'A.32.HD12' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1276 2 782 1 "Not handling restraint 782, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1277 2 783 1 "Not handling restraint 783, item 1, resonance(s) 'A.46.HA' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1278 2 784 1 "Not handling restraint 784, item 1, resonance(s) 'A.46.HN' (nmrStar names),'A.45.HA1' (nmrStar names) not linked" c16510_2ke1 1 1279 2 785 1 "Not handling restraint 785, item 1, resonance(s) 'A.35.HB2' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1280 2 786 1 "Not handling restraint 786, item 1, resonance(s) 'A.35.HB1' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1281 2 787 1 "Not handling restraint 787, item 1, resonance(s) 'A.54.HA' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1282 2 788 1 "Not handling restraint 788, item 1, resonance(s) 'A.53.HA' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1283 2 789 1 "Not handling restraint 789, item 2, resonance(s) 'A.55.HB2' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1284 2 789 1 "Not handling restraint 789, item 3, resonance(s) 'A.55.HB3' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1285 2 789 1 "Not handling restraint 789, item 4, resonance(s) 'A.55.HB1' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1286 2 790 1 "Not handling restraint 790, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HN' (nmrStar names) not linked" c16510_2ke1 1 1287 2 791 1 "Not handling restraint 791, item 1, resonance(s) 'A.30.HA' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 1288 2 792 1 "Not handling restraint 792, item 1, resonance(s) 'A.30.HA' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1289 2 793 1 "Not handling restraint 793, item 1, resonance(s) 'A.29.HA' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1290 2 794 1 "Not handling restraint 794, item 1, resonance(s) 'A.34.HN' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1291 2 795 1 "Not handling restraint 795, item 1, resonance(s) 'A.7.HD21' (nmrStar names),'A.7.HD22' (nmrStar names) not linked" c16510_2ke1 1 1292 2 796 1 "Not handling restraint 796, item 1, resonance(s) 'A.58.HE21' (nmrStar names),'A.58.HE22' (nmrStar names) not linked" c16510_2ke1 1 1293 2 797 1 "Not handling restraint 797, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.31.HD2' (nmrStar names) not linked" c16510_2ke1 1 1294 2 798 1 "Not handling restraint 798, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 1295 2 798 1 "Not handling restraint 798, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 1 1296 2 799 1 "Not handling restraint 799, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1297 2 799 1 "Not handling restraint 799, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1298 2 800 1 "Not handling restraint 800, item 1, resonance(s) 'A.21.HN' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1299 2 801 1 "Not handling restraint 801, item 1, resonance(s) 'A.9.HN' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1300 2 802 1 "Not handling restraint 802, item 1, resonance(s) 'A.5.HE22' (nmrStar names),'A.5.HE21' (nmrStar names) not linked" c16510_2ke1 1 1301 2 803 1 "Not handling restraint 803, item 1, resonance(s) 'A.54.HE21' (nmrStar names),'A.54.HE22' (nmrStar names) not linked" c16510_2ke1 1 1302 2 804 1 "Not handling restraint 804, item 1, resonance(s) 'A.55.HN' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1303 2 805 1 "Not handling restraint 805, item 1, resonance(s) 'A.41.HN' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1304 2 806 1 "Not handling restraint 806, item 1, resonance(s) 'A.25.HN' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1305 2 807 1 "Not handling restraint 807, item 1, resonance(s) 'A.57.HN' (nmrStar names),'A.58.HN' (nmrStar names) not linked" c16510_2ke1 1 1306 2 808 1 "Not handling restraint 808, item 1, resonance(s) 'A.52.HN' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1307 2 809 1 "Not handling restraint 809, item 1, resonance(s) 'A.13.HN' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 1308 2 810 1 "Not handling restraint 810, item 1, resonance(s) 'A.24.HN' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 1309 2 811 1 "Not handling restraint 811, item 1, resonance(s) 'A.4.HN' (nmrStar names),'A.4.HA' (nmrStar names) not linked" c16510_2ke1 1 1310 2 812 1 "Not handling restraint 812, item 2, resonance(s) 'A.4.HN' (nmrStar names),'A.4.HB2' (nmrStar names) not linked" c16510_2ke1 1 1311 2 812 1 "Not handling restraint 812, item 3, resonance(s) 'A.4.HN' (nmrStar names),'A.4.HB3' (nmrStar names) not linked" c16510_2ke1 1 1312 2 812 1 "Not handling restraint 812, item 4, resonance(s) 'A.4.HN' (nmrStar names),'A.4.HB1' (nmrStar names) not linked" c16510_2ke1 1 1313 2 813 1 "Not handling restraint 813, item 1, resonance(s) 'A.52.HB2' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1314 2 814 1 "Not handling restraint 814, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.4.HN' (nmrStar names) not linked" c16510_2ke1 1 1315 2 815 1 "Not handling restraint 815, item 2, resonance(s) 'A.4.HB2' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 1 1316 2 815 1 "Not handling restraint 815, item 3, resonance(s) 'A.4.HB3' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 1 1317 2 815 1 "Not handling restraint 815, item 4, resonance(s) 'A.4.HB1' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 1 1318 2 816 1 "Not handling restraint 816, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HA' (nmrStar names) not linked" c16510_2ke1 1 1319 2 817 1 "Not handling restraint 817, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HA' (nmrStar names) not linked" c16510_2ke1 1 1320 2 818 1 "Not handling restraint 818, item 1, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HB1' (nmrStar names) not linked" c16510_2ke1 1 1321 2 819 1 "Not handling restraint 819, item 1, resonance(s) 'A.6.HB2' (nmrStar names),'A.7.HN' (nmrStar names) not linked" c16510_2ke1 1 1322 2 820 1 "Not handling restraint 820, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HN' (nmrStar names) not linked" c16510_2ke1 1 1323 2 821 1 "Not handling restraint 821, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HN' (nmrStar names) not linked" c16510_2ke1 1 1324 2 822 1 "Not handling restraint 822, item 1, resonance(s) 'A.51.HA' (nmrStar names),'A.51.HN' (nmrStar names) not linked" c16510_2ke1 1 1325 2 823 1 "Not handling restraint 823, item 1, resonance(s) 'A.27.HB1' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 1326 2 824 1 "Not handling restraint 824, item 1, resonance(s) 'A.8.HN' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 1327 2 825 1 "Not handling restraint 825, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 1328 2 826 1 "Not handling restraint 826, item 1, resonance(s) 'A.9.HB2' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 1329 2 827 1 "Not handling restraint 827, item 1, resonance(s) 'A.10.HG2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1330 2 828 1 "Not handling restraint 828, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1331 2 828 1 "Not handling restraint 828, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1332 2 828 1 "Not handling restraint 828, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1333 2 829 1 "Not handling restraint 829, item 1, resonance(s) 'A.11.HN' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 1 1334 2 830 1 "Not handling restraint 830, item 1, resonance(s) 'A.11.HN' (nmrStar names),'A.11.HB2' (nmrStar names) not linked" c16510_2ke1 1 1335 2 831 1 "Not handling restraint 831, item 1, resonance(s) 'A.11.HN' (nmrStar names),'A.10.HB1' (nmrStar names) not linked" c16510_2ke1 1 1336 2 832 1 "Not handling restraint 832, item 1, resonance(s) 'A.11.HB2' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 1337 2 833 1 "Not handling restraint 833, item 1, resonance(s) 'A.13.HN' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 1338 2 834 1 "Not handling restraint 834, item 1, resonance(s) 'A.11.HB1' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 1 1339 2 835 1 "Not handling restraint 835, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.2.HA' (nmrStar names) not linked" c16510_2ke1 1 1340 2 836 1 "Not handling restraint 836, item 1, resonance(s) 'A.14.HA' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 1 1341 2 837 1 "Not handling restraint 837, item 1, resonance(s) 'A.20.HN' (nmrStar names),'A.19.HB1' (nmrStar names) not linked" c16510_2ke1 1 1342 2 838 1 "Not handling restraint 838, item 1, resonance(s) 'A.20.HN' (nmrStar names),'A.19.HA' (nmrStar names) not linked" c16510_2ke1 1 1343 2 839 1 "Not handling restraint 839, item 1, resonance(s) 'A.20.HN' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 1 1344 2 840 1 "Not handling restraint 840, item 1, resonance(s) 'A.19.HN' (nmrStar names),'A.18.HA1' (nmrStar names) not linked" c16510_2ke1 1 1345 2 841 1 "Not handling restraint 841, item 1, resonance(s) 'A.20.HA' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1346 2 842 1 "Not handling restraint 842, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1347 2 843 1 "Not handling restraint 843, item 1, resonance(s) 'A.21.HG12' (nmrStar names),'A.21.HN' (nmrStar names) not linked" c16510_2ke1 1 1348 2 844 1 "Not handling restraint 844, item 2, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HG22' (nmrStar names) not linked" c16510_2ke1 1 1349 2 844 1 "Not handling restraint 844, item 3, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HG23' (nmrStar names) not linked" c16510_2ke1 1 1350 2 844 1 "Not handling restraint 844, item 4, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HG21' (nmrStar names) not linked" c16510_2ke1 1 1351 2 845 1 "Not handling restraint 845, item 2, resonance(s) 'A.23.HN' (nmrStar names),'A.29.HB2' (nmrStar names) not linked" c16510_2ke1 1 1352 2 845 1 "Not handling restraint 845, item 3, resonance(s) 'A.23.HN' (nmrStar names),'A.29.HB3' (nmrStar names) not linked" c16510_2ke1 1 1353 2 845 1 "Not handling restraint 845, item 4, resonance(s) 'A.23.HN' (nmrStar names),'A.29.HB1' (nmrStar names) not linked" c16510_2ke1 1 1354 2 846 1 "Not handling restraint 846, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HA' (nmrStar names) not linked" c16510_2ke1 1 1355 2 847 1 "Not handling restraint 847, item 1, resonance(s) 'A.28.HG2' (nmrStar names),'A.29.HN' (nmrStar names) not linked" c16510_2ke1 1 1356 2 848 1 "Not handling restraint 848, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1357 2 849 1 "Not handling restraint 849, item 1, resonance(s) 'A.24.HA' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1358 2 850 1 "Not handling restraint 850, item 1, resonance(s) 'A.24.HB2' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1359 2 851 1 "Not handling restraint 851, item 1, resonance(s) 'A.25.HN' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 1 1360 2 852 1 "Not handling restraint 852, item 1, resonance(s) 'A.24.HB1' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 1361 2 853 1 "Not handling restraint 853, item 1, resonance(s) 'A.24.HB2' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 1362 2 854 1 "Not handling restraint 854, item 1, resonance(s) 'A.23.HB2' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 1363 2 855 1 "Not handling restraint 855, item 1, resonance(s) 'A.24.HA' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 1364 2 856 1 "Not handling restraint 856, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1365 2 857 1 "Not handling restraint 857, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1366 2 857 1 "Not handling restraint 857, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1367 2 857 1 "Not handling restraint 857, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1368 2 858 1 "Not handling restraint 858, item 1, resonance(s) 'A.22.HA' (nmrStar names),'A.30.HN' (nmrStar names) not linked" c16510_2ke1 1 1369 2 859 1 "Not handling restraint 859, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1370 2 859 1 "Not handling restraint 859, item 3, resonance(s) 'A.30.HD2' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1371 2 860 1 "Not handling restraint 860, item 2, resonance(s) 'A.13.HG21' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1372 2 860 1 "Not handling restraint 860, item 3, resonance(s) 'A.13.HG22' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1373 2 860 1 "Not handling restraint 860, item 4, resonance(s) 'A.13.HG23' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1374 2 861 1 "Not handling restraint 861, item 1, resonance(s) 'A.31.HA' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1375 2 862 1 "Not handling restraint 862, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.31.HN' (nmrStar names) not linked" c16510_2ke1 1 1376 2 863 1 "Not handling restraint 863, item 1, resonance(s) 'A.31.HA' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1377 2 864 1 "Not handling restraint 864, item 1, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1378 2 865 1 "Not handling restraint 865, item 1, resonance(s) 'A.32.HB2' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1379 2 866 1 "Not handling restraint 866, item 2, resonance(s) 'A.33.HB2' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1380 2 866 1 "Not handling restraint 866, item 3, resonance(s) 'A.33.HB3' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1381 2 866 1 "Not handling restraint 866, item 4, resonance(s) 'A.33.HB1' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1382 2 867 1 "Not handling restraint 867, item 2, resonance(s) 'A.32.HD13' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1383 2 867 1 "Not handling restraint 867, item 3, resonance(s) 'A.32.HD11' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1384 2 867 1 "Not handling restraint 867, item 4, resonance(s) 'A.32.HD12' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1385 2 868 1 "Not handling restraint 868, item 1, resonance(s) 'A.33.HN' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1386 2 869 1 "Not handling restraint 869, item 1, resonance(s) 'A.32.HN' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1387 2 870 1 "Not handling restraint 870, item 1, resonance(s) 'A.32.HA' (nmrStar names),'A.33.HN' (nmrStar names) not linked" c16510_2ke1 1 1388 2 871 1 "Not handling restraint 871, item 1, resonance(s) 'A.32.HA' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1389 2 872 1 "Not handling restraint 872, item 1, resonance(s) 'A.33.HN' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1390 2 873 1 "Not handling restraint 873, item 1, resonance(s) 'A.31.HN' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 1 1391 2 874 1 "Not handling restraint 874, item 1, resonance(s) 'A.36.HN' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1392 2 875 1 "Not handling restraint 875, item 1, resonance(s) 'A.35.HN' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1393 2 876 1 "Not handling restraint 876, item 1, resonance(s) 'A.38.HB2' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 1 1394 2 877 1 "Not handling restraint 877, item 1, resonance(s) 'A.36.HA' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1395 2 878 1 "Not handling restraint 878, item 1, resonance(s) 'A.37.HA' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1396 2 879 1 "Not handling restraint 879, item 1, resonance(s) 'A.38.HA' (nmrStar names),'A.36.HN' (nmrStar names) not linked" c16510_2ke1 1 1397 2 880 1 "Not handling restraint 880, item 1, resonance(s) 'A.38.HD2' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 1 1398 2 881 1 "Not handling restraint 881, item 2, resonance(s) 'A.39.HD21' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1399 2 881 1 "Not handling restraint 881, item 3, resonance(s) 'A.39.HD23' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1400 2 881 1 "Not handling restraint 881, item 4, resonance(s) 'A.39.HD22' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 1 1401 2 882 1 "Not handling restraint 882, item 2, resonance(s) 'A.39.HD13' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1402 2 882 1 "Not handling restraint 882, item 3, resonance(s) 'A.39.HD11' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1403 2 882 1 "Not handling restraint 882, item 4, resonance(s) 'A.39.HD12' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1404 2 883 1 "Not handling restraint 883, item 1, resonance(s) 'A.39.HA' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1405 2 884 1 "Not handling restraint 884, item 1, resonance(s) 'A.42.HN' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 1 1406 2 885 1 "Not handling restraint 885, item 1, resonance(s) 'A.46.HN' (nmrStar names),'A.47.HN' (nmrStar names) not linked" c16510_2ke1 1 1407 2 886 1 "Not handling restraint 886, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1408 2 887 1 "Not handling restraint 887, item 1, resonance(s) 'A.49.HB1' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1409 2 888 1 "Not handling restraint 888, item 1, resonance(s) 'A.48.HB1' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1410 2 889 1 "Not handling restraint 889, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.51.HN' (nmrStar names) not linked" c16510_2ke1 1 1411 2 890 1 "Not handling restraint 890, item 1, resonance(s) 'A.53.HN' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1412 2 891 1 "Not handling restraint 891, item 1, resonance(s) 'A.55.HN' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 1 1413 2 892 1 "Not handling restraint 892, item 1, resonance(s) 'A.57.HA' (nmrStar names),'A.58.HN' (nmrStar names) not linked" c16510_2ke1 1 1414 2 893 1 "Not handling restraint 893, item 1, resonance(s) 'A.57.HB' (nmrStar names),'A.58.HN' (nmrStar names) not linked" c16510_2ke1 1 1415 2 894 1 "Not handling restraint 894, item 1, resonance(s) 'A.58.HA' (nmrStar names),'A.58.HN' (nmrStar names) not linked" c16510_2ke1 1 1416 2 895 1 "Not handling restraint 895, item 1, resonance(s) 'A.59.HA' (nmrStar names),'A.59.HN' (nmrStar names) not linked" c16510_2ke1 1 1417 2 896 1 "Not handling restraint 896, item 1, resonance(s) 'A.59.HB1' (nmrStar names),'A.59.HN' (nmrStar names) not linked" c16510_2ke1 1 1418 2 897 1 "Not handling restraint 897, item 1, resonance(s) 'A.59.HA' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 1 1419 2 898 1 "Not handling restraint 898, item 1, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 1 1420 2 899 1 "Not handling restraint 899, item 1, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 1 1421 2 900 1 "Not handling restraint 900, item 1, resonance(s) 'A.60.HA' (nmrStar names),'A.61.HN' (nmrStar names) not linked" c16510_2ke1 1 1422 2 901 1 "Not handling restraint 901, item 1, resonance(s) 'A.61.HB1' (nmrStar names),'A.61.HN' (nmrStar names) not linked" c16510_2ke1 1 1423 2 902 1 "Not handling restraint 902, item 2, resonance(s) 'A.61.HN' (nmrStar names),'A.60.HG21' (nmrStar names) not linked" c16510_2ke1 1 1424 2 902 1 "Not handling restraint 902, item 3, resonance(s) 'A.61.HN' (nmrStar names),'A.60.HG22' (nmrStar names) not linked" c16510_2ke1 1 1425 2 902 1 "Not handling restraint 902, item 4, resonance(s) 'A.61.HN' (nmrStar names),'A.60.HG23' (nmrStar names) not linked" c16510_2ke1 1 1426 2 903 1 "Not handling restraint 903, item 1, resonance(s) 'A.61.HN' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 1 1427 2 904 1 "Not handling restraint 904, item 1, resonance(s) 'A.63.HA' (nmrStar names),'A.63.HN' (nmrStar names) not linked" c16510_2ke1 1 1428 2 905 1 "Not handling restraint 905, item 2, resonance(s) 'A.64.HN' (nmrStar names),'A.64.HB2' (nmrStar names) not linked" c16510_2ke1 1 1429 2 905 1 "Not handling restraint 905, item 3, resonance(s) 'A.64.HN' (nmrStar names),'A.64.HB3' (nmrStar names) not linked" c16510_2ke1 1 1430 2 905 1 "Not handling restraint 905, item 4, resonance(s) 'A.64.HN' (nmrStar names),'A.64.HB1' (nmrStar names) not linked" c16510_2ke1 1 1431 2 906 1 "Not handling restraint 906, item 1, resonance(s) 'A.64.HN' (nmrStar names),'A.64.HA' (nmrStar names) not linked" c16510_2ke1 1 1432 2 907 1 "Not handling restraint 907, item 1, resonance(s) 'A.65.HN' (nmrStar names),'A.65.HA' (nmrStar names) not linked" c16510_2ke1 1 1433 2 908 1 "Not handling restraint 908, item 2, resonance(s) 'A.11.HN' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 1434 2 908 1 "Not handling restraint 908, item 3, resonance(s) 'A.11.HN' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 1435 2 908 1 "Not handling restraint 908, item 4, resonance(s) 'A.11.HN' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 1436 2 909 1 "Not handling restraint 909, item 1, resonance(s) 'A.31.HE1' (nmrStar names),'A.16.HN' (nmrStar names) not linked" c16510_2ke1 1 1437 2 910 1 "Not handling restraint 910, item 1, resonance(s) 'A.18.HN' (nmrStar names),'B.77.HN' (nmrStar names) not linked" c16510_2ke1 1 1438 2 911 1 "Not handling restraint 911, item 1, resonance(s) 'A.48.HA' (nmrStar names),'A.25.HN' (nmrStar names) not linked" c16510_2ke1 1 1439 2 912 1 "Not handling restraint 912, item 1, resonance(s) 'A.45.HN' (nmrStar names),'A.46.HN' (nmrStar names) not linked" c16510_2ke1 1 1440 2 913 1 "Not handling restraint 913, item 1, resonance(s) 'A.47.HB2' (nmrStar names),'A.48.HN' (nmrStar names) not linked" c16510_2ke1 1 1441 2 914 1 "Not handling restraint 914, item 1, resonance(s) 'A.49.HB2' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1442 2 915 1 "Not handling restraint 915, item 1, resonance(s) 'A.52.HN' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 1 1443 2 916 1 "Not handling restraint 916, item 1, resonance(s) 'A.62.HB2' (nmrStar names),'A.63.HN' (nmrStar names) not linked" c16510_2ke1 1 1444 2 917 1 "Not handling restraint 917, item 1, resonance(s) 'A.9.HB2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 1 1445 2 918 1 "Not handling restraint 918, item 1, resonance(s) 'A.49.HN' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 1 1446 2 919 1 "Not handling restraint 919, item 2, resonance(s) 'A.53.HD13' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1447 2 919 1 "Not handling restraint 919, item 3, resonance(s) 'A.53.HD11' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1448 2 919 1 "Not handling restraint 919, item 4, resonance(s) 'A.53.HD12' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1449 2 920 1 "Not handling restraint 920, item 1, resonance(s) 'A.47.HE1' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 1 1450 2 921 1 "Not handling restraint 921, item 1, resonance(s) 'A.47.HE3' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1451 2 922 1 "Not handling restraint 922, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1452 2 923 1 "Not handling restraint 923, item 1, resonance(s) 'A.47.HZ3' (nmrStar names),'A.24.HN' (nmrStar names) not linked" c16510_2ke1 1 1453 2 924 1 "Not handling restraint 924, item 1, resonance(s) 'A.4.HA' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 1 1454 2 925 1 "Not handling restraint 925, item 1, resonance(s) 'A.49.HN' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 1 1455 2 926 1 "Not handling restraint 926, item 1, resonance(s) 'A.51.HN' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1456 2 927 1 "Not handling restraint 927, item 1, resonance(s) 'A.24.HN' (nmrStar names),'A.26.HN' (nmrStar names) not linked" c16510_2ke1 1 1457 2 928 1 "Not handling restraint 928, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.76.HA' (nmrStar names) not linked" c16510_2ke1 1 1458 2 929 1 "Not handling restraint 929, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.76.HG2' (nmrStar names) not linked" c16510_2ke1 1 1459 2 930 1 "Not handling restraint 930, item 1, resonance(s) 'B.76.HG1' (nmrStar names),'A.17.HN' (nmrStar names) not linked" c16510_2ke1 1 1460 2 931 1 "Not handling restraint 931, item 1, resonance(s) 'A.48.HN' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 1 1461 2 932 1 "Not handling restraint 932, item 1, resonance(s) 'A.51.HA' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1462 2 933 1 "Not handling restraint 933, item 1, resonance(s) 'A.49.HN' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 1 1463 2 934 1 "Not handling restraint 934, item 2, resonance(s) 'A.30.HE1' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 1464 2 934 1 "Not handling restraint 934, item 3, resonance(s) 'A.30.HE2' (nmrStar names),'A.12.HN' (nmrStar names) not linked" c16510_2ke1 1 1465 2 935 1 "Not handling restraint 935, item 1, resonance(s) 'A.22.HN' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 1 1466 2 936 1 "Not handling restraint 936, item 1, resonance(s) 'A.22.HN' (nmrStar names),'B.69.HA' (nmrStar names) not linked" c16510_2ke1 1 1467 2 937 1 "Not handling restraint 937, item 1, resonance(s) 'A.27.HA' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 1468 2 938 1 "Not handling restraint 938, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 1469 2 938 1 "Not handling restraint 938, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 1470 2 938 1 "Not handling restraint 938, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 1 1471 2 939 1 "Not handling restraint 939, item 1, resonance(s) 'A.7.HN' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 1 1472 2 940 1 "Not handling restraint 940, item 1, resonance(s) 'A.23.HN' (nmrStar names),'B.70.HE' (nmrStar names) not linked" c16510_2ke1 1 1473 2 941 1 "Not handling restraint 941, item 1, resonance(s) 'B.70.HB2' (nmrStar names),'B.70.HN' (nmrStar names) not linked" c16510_2ke1 1 1474 2 942 1 "Not handling restraint 942, item 1, resonance(s) 'B.70.HN' (nmrStar names),'B.70.HB1' (nmrStar names) not linked" c16510_2ke1 1 1475 2 943 1 "Not handling restraint 943, item 1, resonance(s) 'B.76.HB1' (nmrStar names),'B.76.HN' (nmrStar names) not linked" c16510_2ke1 1 1476 2 944 1 "Not handling restraint 944, item 1, resonance(s) 'B.73.HN' (nmrStar names),'B.73.HB2' (nmrStar names) not linked" c16510_2ke1 1 1477 2 945 1 "Not handling restraint 945, item 1, resonance(s) 'B.73.HN' (nmrStar names),'B.72.HB1' (nmrStar names) not linked" c16510_2ke1 1 1478 2 946 1 "Not handling restraint 946, item 1, resonance(s) 'B.76.HG2' (nmrStar names),'B.76.HN' (nmrStar names) not linked" c16510_2ke1 1 1479 2 947 1 "Not handling restraint 947, item 2, resonance(s) 'B.76.HN' (nmrStar names),'B.75.HB2' (nmrStar names) not linked" c16510_2ke1 1 1480 2 947 1 "Not handling restraint 947, item 3, resonance(s) 'B.76.HN' (nmrStar names),'B.75.HB3' (nmrStar names) not linked" c16510_2ke1 1 1481 2 947 1 "Not handling restraint 947, item 4, resonance(s) 'B.76.HN' (nmrStar names),'B.75.HB1' (nmrStar names) not linked" c16510_2ke1 1 1482 2 948 1 "Not handling restraint 948, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'B.75.HN' (nmrStar names) not linked" c16510_2ke1 1 1483 2 948 1 "Not handling restraint 948, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'B.75.HN' (nmrStar names) not linked" c16510_2ke1 1 1484 2 948 1 "Not handling restraint 948, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'B.75.HN' (nmrStar names) not linked" c16510_2ke1 1 1485 2 949 1 "Not handling restraint 949, item 1, resonance(s) 'B.75.HN' (nmrStar names),'B.74.HA' (nmrStar names) not linked" c16510_2ke1 1 1486 2 950 1 "Not handling restraint 950, item 1, resonance(s) 'B.78.HN' (nmrStar names),'B.78.HA' (nmrStar names) not linked" c16510_2ke1 1 1487 2 951 1 "Not handling restraint 951, item 1, resonance(s) 'B.74.HN' (nmrStar names),'B.73.HA' (nmrStar names) not linked" c16510_2ke1 1 1488 2 952 1 "Not handling restraint 952, item 1, resonance(s) 'B.72.HN' (nmrStar names),'B.71.HA' (nmrStar names) not linked" c16510_2ke1 1 1489 2 953 1 "Not handling restraint 953, item 1, resonance(s) 'B.73.HA' (nmrStar names),'B.73.HN' (nmrStar names) not linked" c16510_2ke1 1 1490 2 954 1 "Not handling restraint 954, item 1, resonance(s) 'B.76.HB1' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 1 1491 2 955 1 "Not handling restraint 955, item 1, resonance(s) 'B.76.HB1' (nmrStar names),'B.76.HA' (nmrStar names) not linked" c16510_2ke1 1 1492 2 956 1 "Not handling restraint 956, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'B.74.HA' (nmrStar names) not linked" c16510_2ke1 1 1493 2 956 1 "Not handling restraint 956, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'B.74.HA' (nmrStar names) not linked" c16510_2ke1 1 1494 2 956 1 "Not handling restraint 956, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'B.74.HA' (nmrStar names) not linked" c16510_2ke1 1 1495 2 957 1 "Not handling restraint 957, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'B.74.HB' (nmrStar names) not linked" c16510_2ke1 1 1496 2 957 1 "Not handling restraint 957, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'B.74.HB' (nmrStar names) not linked" c16510_2ke1 1 1497 2 957 1 "Not handling restraint 957, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'B.74.HB' (nmrStar names) not linked" c16510_2ke1 1 1498 2 958 1 "Not handling restraint 958, item 2, resonance(s) 'B.71.HA' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1499 2 958 1 "Not handling restraint 958, item 3, resonance(s) 'B.71.HA' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1500 2 958 1 "Not handling restraint 958, item 4, resonance(s) 'B.71.HA' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1501 2 959 1 "Not handling restraint 959, item 2, resonance(s) 'B.71.HG22' (nmrStar names),'B.71.HN' (nmrStar names) not linked" c16510_2ke1 1 1502 2 959 1 "Not handling restraint 959, item 3, resonance(s) 'B.71.HG21' (nmrStar names),'B.71.HN' (nmrStar names) not linked" c16510_2ke1 1 1503 2 959 1 "Not handling restraint 959, item 4, resonance(s) 'B.71.HG23' (nmrStar names),'B.71.HN' (nmrStar names) not linked" c16510_2ke1 1 1504 2 960 1 "Not handling restraint 960, item 2, resonance(s) 'B.74.HN' (nmrStar names),'B.74.HG22' (nmrStar names) not linked" c16510_2ke1 1 1505 2 960 1 "Not handling restraint 960, item 3, resonance(s) 'B.74.HN' (nmrStar names),'B.74.HG21' (nmrStar names) not linked" c16510_2ke1 1 1506 2 960 1 "Not handling restraint 960, item 4, resonance(s) 'B.74.HN' (nmrStar names),'B.74.HG23' (nmrStar names) not linked" c16510_2ke1 1 1507 2 961 1 "Not handling restraint 961, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'B.72.HB1' (nmrStar names) not linked" c16510_2ke1 1 1508 2 961 1 "Not handling restraint 961, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'B.72.HB1' (nmrStar names) not linked" c16510_2ke1 1 1509 2 961 1 "Not handling restraint 961, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'B.72.HB1' (nmrStar names) not linked" c16510_2ke1 1 1510 2 962 1 "Not handling restraint 962, item 1, resonance(s) 'B.78.HN' (nmrStar names),'B.77.HB2' (nmrStar names) not linked" c16510_2ke1 1 1511 2 963 1 "Not handling restraint 963, item 1, resonance(s) 'B.70.HD1' (nmrStar names),'B.70.HG1' (nmrStar names) not linked" c16510_2ke1 1 1512 2 964 1 "Not handling restraint 964, item 2, resonance(s) 'B.69.HA' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1513 2 964 1 "Not handling restraint 964, item 3, resonance(s) 'B.69.HA' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1514 2 964 1 "Not handling restraint 964, item 4, resonance(s) 'B.69.HA' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1515 2 965 1 "Not handling restraint 965, item 1, resonance(s) 'B.71.HN' (nmrStar names),'B.71.HG1' (nmrStar names) not linked" c16510_2ke1 1 1516 2 966 1 "Not handling restraint 966, item 1, resonance(s) 'B.70.HB2' (nmrStar names),'B.70.HA' (nmrStar names) not linked" c16510_2ke1 1 1517 2 967 1 "Not handling restraint 967, item 1, resonance(s) 'B.75.HN' (nmrStar names),'B.75.HA' (nmrStar names) not linked" c16510_2ke1 1 1518 2 968 1 "Not handling restraint 968, item 1, resonance(s) 'B.76.HN' (nmrStar names),'B.75.HA' (nmrStar names) not linked" c16510_2ke1 1 1519 2 969 1 "Not handling restraint 969, item 2, resonance(s) 'B.75.HB2' (nmrStar names),'B.75.HN' (nmrStar names) not linked" c16510_2ke1 1 1520 2 969 1 "Not handling restraint 969, item 3, resonance(s) 'B.75.HB3' (nmrStar names),'B.75.HN' (nmrStar names) not linked" c16510_2ke1 1 1521 2 969 1 "Not handling restraint 969, item 4, resonance(s) 'B.75.HB1' (nmrStar names),'B.75.HN' (nmrStar names) not linked" c16510_2ke1 1 1522 2 970 1 "Not handling restraint 970, item 1, resonance(s) 'B.75.HN' (nmrStar names),'B.74.HB' (nmrStar names) not linked" c16510_2ke1 1 1523 2 971 1 "Not handling restraint 971, item 1, resonance(s) 'B.72.HN' (nmrStar names),'B.71.HB' (nmrStar names) not linked" c16510_2ke1 1 1524 2 972 1 "Not handling restraint 972, item 1, resonance(s) 'B.73.HN' (nmrStar names),'B.72.HA' (nmrStar names) not linked" c16510_2ke1 1 1525 2 973 1 "Not handling restraint 973, item 1, resonance(s) 'B.70.HN' (nmrStar names),'B.70.HA' (nmrStar names) not linked" c16510_2ke1 1 1526 2 974 1 "Not handling restraint 974, item 2, resonance(s) 'B.71.HG22' (nmrStar names),'B.71.HB' (nmrStar names) not linked" c16510_2ke1 1 1527 2 974 1 "Not handling restraint 974, item 3, resonance(s) 'B.71.HG21' (nmrStar names),'B.71.HB' (nmrStar names) not linked" c16510_2ke1 1 1528 2 974 1 "Not handling restraint 974, item 4, resonance(s) 'B.71.HG23' (nmrStar names),'B.71.HB' (nmrStar names) not linked" c16510_2ke1 1 1529 2 975 1 "Not handling restraint 975, item 2, resonance(s) 'B.75.HB2' (nmrStar names),'B.75.HA' (nmrStar names) not linked" c16510_2ke1 1 1530 2 975 1 "Not handling restraint 975, item 3, resonance(s) 'B.75.HB3' (nmrStar names),'B.75.HA' (nmrStar names) not linked" c16510_2ke1 1 1531 2 975 1 "Not handling restraint 975, item 4, resonance(s) 'B.75.HB1' (nmrStar names),'B.75.HA' (nmrStar names) not linked" c16510_2ke1 1 1532 2 976 1 "Not handling restraint 976, item 1, resonance(s) 'B.73.HE21' (nmrStar names),'B.73.HE22' (nmrStar names) not linked" c16510_2ke1 1 1533 2 977 1 "Not handling restraint 977, item 1, resonance(s) 'B.71.HN' (nmrStar names),'B.70.HA' (nmrStar names) not linked" c16510_2ke1 1 1534 2 978 1 "Not handling restraint 978, item 1, resonance(s) 'B.72.HB1' (nmrStar names),'B.72.HE1' (nmrStar names) not linked" c16510_2ke1 1 1535 2 979 1 "Not handling restraint 979, item 2, resonance(s) 'A.43.HG1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1536 2 979 1 "Not handling restraint 979, item 3, resonance(s) 'A.43.HG1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1537 2 979 1 "Not handling restraint 979, item 4, resonance(s) 'A.43.HG1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1538 2 980 1 "Not handling restraint 980, item 2, resonance(s) 'A.42.HB' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1539 2 980 1 "Not handling restraint 980, item 3, resonance(s) 'A.42.HB' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1540 2 980 1 "Not handling restraint 980, item 4, resonance(s) 'A.42.HB' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1541 2 981 1 "Not handling restraint 981, item 1, resonance(s) 'A.16.HB1' (nmrStar names),'B.77.HB2' (nmrStar names) not linked" c16510_2ke1 1 1542 2 982 1 "Not handling restraint 982, item 1, resonance(s) 'A.22.HN' (nmrStar names),'B.71.HA' (nmrStar names) not linked" c16510_2ke1 1 1543 2 983 1 "Not handling restraint 983, item 2, resonance(s) 'A.47.HN' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1544 2 983 1 "Not handling restraint 983, item 3, resonance(s) 'A.47.HN' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1545 2 983 1 "Not handling restraint 983, item 4, resonance(s) 'A.47.HN' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1546 2 984 1 "Not handling restraint 984, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.76.HB2' (nmrStar names) not linked" c16510_2ke1 1 1547 2 985 1 "Not handling restraint 985, item 1, resonance(s) 'A.20.HN' (nmrStar names),'B.73.HA' (nmrStar names) not linked" c16510_2ke1 1 1548 2 986 1 "Not handling restraint 986, item 1, resonance(s) 'A.7.HA' (nmrStar names),'B.72.HD2' (nmrStar names) not linked" c16510_2ke1 1 1549 2 987 1 "Not handling restraint 987, item 1, resonance(s) 'A.7.HA' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 1 1550 2 988 1 "Not handling restraint 988, item 2, resonance(s) 'A.47.HD1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1551 2 988 1 "Not handling restraint 988, item 3, resonance(s) 'A.47.HD1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1552 2 988 1 "Not handling restraint 988, item 4, resonance(s) 'A.47.HD1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1553 2 989 1 "Not handling restraint 989, item 10, resonance(s) 'A.21.HD13' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1554 2 989 1 "Not handling restraint 989, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1555 2 989 1 "Not handling restraint 989, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1556 2 989 1 "Not handling restraint 989, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1557 2 989 1 "Not handling restraint 989, item 5, resonance(s) 'A.21.HD11' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1558 2 989 1 "Not handling restraint 989, item 6, resonance(s) 'A.21.HD12' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1559 2 989 1 "Not handling restraint 989, item 7, resonance(s) 'A.21.HD13' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1560 2 989 1 "Not handling restraint 989, item 8, resonance(s) 'A.21.HD11' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1561 2 989 1 "Not handling restraint 989, item 9, resonance(s) 'A.21.HD12' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1562 2 990 1 "Not handling restraint 990, item 10, resonance(s) 'B.74.HG23' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 1563 2 990 1 "Not handling restraint 990, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 1564 2 990 1 "Not handling restraint 990, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 1565 2 990 1 "Not handling restraint 990, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 1 1566 2 990 1 "Not handling restraint 990, item 5, resonance(s) 'B.74.HG22' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 1567 2 990 1 "Not handling restraint 990, item 6, resonance(s) 'B.74.HG21' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 1568 2 990 1 "Not handling restraint 990, item 7, resonance(s) 'B.74.HG23' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 1 1569 2 990 1 "Not handling restraint 990, item 8, resonance(s) 'B.74.HG22' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 1570 2 990 1 "Not handling restraint 990, item 9, resonance(s) 'B.74.HG21' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 1 1571 2 991 1 "Not handling restraint 991, item 1, resonance(s) 'A.18.HA1' (nmrStar names),'B.76.HG2' (nmrStar names) not linked" c16510_2ke1 1 1572 2 992 1 "Not handling restraint 992, item 2, resonance(s) 'A.43.HD1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1573 2 992 1 "Not handling restraint 992, item 3, resonance(s) 'A.43.HD1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1574 2 992 1 "Not handling restraint 992, item 4, resonance(s) 'A.43.HD1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1575 2 993 1 "Not handling restraint 993, item 10, resonance(s) 'A.21.HG21' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1576 2 993 1 "Not handling restraint 993, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1577 2 993 1 "Not handling restraint 993, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1578 2 993 1 "Not handling restraint 993, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1579 2 993 1 "Not handling restraint 993, item 5, resonance(s) 'A.21.HG22' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1580 2 993 1 "Not handling restraint 993, item 6, resonance(s) 'A.21.HG23' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1581 2 993 1 "Not handling restraint 993, item 7, resonance(s) 'A.21.HG21' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1582 2 993 1 "Not handling restraint 993, item 8, resonance(s) 'A.21.HG22' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1583 2 993 1 "Not handling restraint 993, item 9, resonance(s) 'A.21.HG23' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1584 2 994 1 "Not handling restraint 994, item 2, resonance(s) 'A.42.HG11' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1585 2 994 1 "Not handling restraint 994, item 3, resonance(s) 'A.42.HG11' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1586 2 994 1 "Not handling restraint 994, item 4, resonance(s) 'A.42.HG11' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1587 2 995 1 "Not handling restraint 995, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1588 2 995 1 "Not handling restraint 995, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1589 2 995 1 "Not handling restraint 995, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1590 2 996 1 "Not handling restraint 996, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 1 1591 2 997 1 "Not handling restraint 997, item 2, resonance(s) 'A.43.HB1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1592 2 997 1 "Not handling restraint 997, item 3, resonance(s) 'A.43.HB1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1593 2 997 1 "Not handling restraint 997, item 4, resonance(s) 'A.43.HB1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1594 2 998 1 "Not handling restraint 998, item 10, resonance(s) 'A.42.HG21' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1595 2 998 1 "Not handling restraint 998, item 2, resonance(s) 'A.42.HG22' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1596 2 998 1 "Not handling restraint 998, item 3, resonance(s) 'A.42.HG22' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1597 2 998 1 "Not handling restraint 998, item 4, resonance(s) 'A.42.HG22' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1598 2 998 1 "Not handling restraint 998, item 5, resonance(s) 'A.42.HG23' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1599 2 998 1 "Not handling restraint 998, item 6, resonance(s) 'A.42.HG23' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1600 2 998 1 "Not handling restraint 998, item 7, resonance(s) 'A.42.HG23' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1601 2 998 1 "Not handling restraint 998, item 8, resonance(s) 'A.42.HG21' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1602 2 998 1 "Not handling restraint 998, item 9, resonance(s) 'A.42.HG21' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1603 2 999 1 "Not handling restraint 999, item 2, resonance(s) 'A.21.HG12' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1604 2 999 1 "Not handling restraint 999, item 3, resonance(s) 'A.21.HG12' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1605 2 999 1 "Not handling restraint 999, item 4, resonance(s) 'A.21.HG12' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1606 2 1000 1 "Not handling restraint 1000, item 10, resonance(s) 'A.21.HG21' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1607 2 1000 1 "Not handling restraint 1000, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1608 2 1000 1 "Not handling restraint 1000, item 3, resonance(s) 'A.21.HG22' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1609 2 1000 1 "Not handling restraint 1000, item 4, resonance(s) 'A.21.HG22' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1610 2 1000 1 "Not handling restraint 1000, item 5, resonance(s) 'A.21.HG23' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1611 2 1000 1 "Not handling restraint 1000, item 6, resonance(s) 'A.21.HG23' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1612 2 1000 1 "Not handling restraint 1000, item 7, resonance(s) 'A.21.HG23' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1613 2 1000 1 "Not handling restraint 1000, item 8, resonance(s) 'A.21.HG21' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1614 2 1000 1 "Not handling restraint 1000, item 9, resonance(s) 'A.21.HG21' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1615 2 1001 1 "Not handling restraint 1001, item 10, resonance(s) 'A.21.HD13' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1616 2 1001 1 "Not handling restraint 1001, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1617 2 1001 1 "Not handling restraint 1001, item 3, resonance(s) 'A.21.HD11' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1618 2 1001 1 "Not handling restraint 1001, item 4, resonance(s) 'A.21.HD11' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1619 2 1001 1 "Not handling restraint 1001, item 5, resonance(s) 'A.21.HD12' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1620 2 1001 1 "Not handling restraint 1001, item 6, resonance(s) 'A.21.HD12' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1621 2 1001 1 "Not handling restraint 1001, item 7, resonance(s) 'A.21.HD12' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 1 1622 2 1001 1 "Not handling restraint 1001, item 8, resonance(s) 'A.21.HD13' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 1 1623 2 1001 1 "Not handling restraint 1001, item 9, resonance(s) 'A.21.HD13' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 1 1624 2 1002 1 "Not handling restraint 1002, item 2, resonance(s) 'A.47.HB2' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1625 2 1002 1 "Not handling restraint 1002, item 3, resonance(s) 'A.47.HB2' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1626 2 1002 1 "Not handling restraint 1002, item 4, resonance(s) 'A.47.HB2' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1627 2 1003 1 "Not handling restraint 1003, item 2, resonance(s) 'A.47.HB1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1628 2 1003 1 "Not handling restraint 1003, item 3, resonance(s) 'A.47.HB1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1629 2 1003 1 "Not handling restraint 1003, item 4, resonance(s) 'A.47.HB1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1630 2 1004 1 "Not handling restraint 1004, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 1631 2 1004 1 "Not handling restraint 1004, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 1632 2 1004 1 "Not handling restraint 1004, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'A.9.HB2' (nmrStar names) not linked" c16510_2ke1 1 1633 2 1005 1 "Not handling restraint 1005, item 2, resonance(s) 'B.74.HG22' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 1634 2 1005 1 "Not handling restraint 1005, item 3, resonance(s) 'B.74.HG21' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 1635 2 1005 1 "Not handling restraint 1005, item 4, resonance(s) 'B.74.HG23' (nmrStar names),'A.9.HB1' (nmrStar names) not linked" c16510_2ke1 1 1636 2 1006 1 "Not handling restraint 1006, item 1, resonance(s) 'A.20.HB1' (nmrStar names),'B.72.HG1' (nmrStar names) not linked" c16510_2ke1 1 1637 2 1007 1 "Not handling restraint 1007, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 1 1638 2 1008 1 "Not handling restraint 1008, item 1, resonance(s) 'A.18.HA2' (nmrStar names),'B.76.HG2' (nmrStar names) not linked" c16510_2ke1 1 1639 2 1009 1 "Not handling restraint 1009, item 1, resonance(s) 'A.24.HN' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 1 1640 2 1010 1 "Not handling restraint 1010, item 2, resonance(s) 'A.47.HE1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 1 1641 2 1010 1 "Not handling restraint 1010, item 3, resonance(s) 'A.47.HE1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 1 1642 2 1010 1 "Not handling restraint 1010, item 4, resonance(s) 'A.47.HE1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 1 1643 2 1011 1 "Not handling restraint 1011, item 2, resonance(s) 'A.20.HN' (nmrStar names),'B.74.HG22' (nmrStar names) not linked" c16510_2ke1 1 1644 2 1011 1 "Not handling restraint 1011, item 3, resonance(s) 'A.20.HN' (nmrStar names),'B.74.HG21' (nmrStar names) not linked" c16510_2ke1 1 1645 2 1011 1 "Not handling restraint 1011, item 4, resonance(s) 'A.20.HN' (nmrStar names),'B.74.HG23' (nmrStar names) not linked" c16510_2ke1 1 1646 2 1012 1 "Not handling restraint 1012, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.78.HA' (nmrStar names) not linked" c16510_2ke1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c16510_2ke1 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16510_2ke1 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 3 3 1 1 ZN ZN Zn . . . 1 1 11 11 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 355 ZN ZN . . A . 299 CYS SG . . . 67 . ZN . . . . . 11 . SG . . c16510_2ke1 2 2 1 . . 3 3 1 1 ZN ZN Zn . . . 1 1 14 14 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 355 ZN ZN . . A . 302 CYS SG . . . 67 . ZN . . . . . 14 . SG . . c16510_2ke1 2 3 1 . . 3 3 1 1 ZN ZN Zn . . . 1 1 34 34 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 355 ZN ZN . . A . 322 CYS SG . . . 67 . ZN . . . . . 34 . SG . . c16510_2ke1 2 4 1 . . 3 3 1 1 ZN ZN Zn . . . 1 1 31 31 HIS ND1 N . . . . . 2.0 1.5 2.5 . . . . . A . 355 ZN ZN . . A . 319 HIS ND1 . . . 67 . ZN . . . . . 31 . ND1 . . c16510_2ke1 2 5 1 . . 4 3 1 1 ZN ZN Zn . . . 1 1 23 23 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 356 ZN ZN . . A . 311 CYS SG . . . 68 . ZN . . . . . 23 . SG . . c16510_2ke1 2 6 1 . . 4 3 1 1 ZN ZN Zn . . . 1 1 26 26 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 356 ZN ZN . . A . 314 CYS SG . . . 68 . ZN . . . . . 26 . SG . . c16510_2ke1 2 7 1 . . 4 3 1 1 ZN ZN Zn . . . 1 1 49 49 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 356 ZN ZN . . A . 337 CYS SG . . . 68 . ZN . . . . . 49 . SG . . c16510_2ke1 2 8 1 . . 4 3 1 1 ZN ZN Zn . . . 1 1 52 52 CYS SG S . . . . . 2.0 1.5 2.5 . . . . . A . 356 ZN ZN . . A . 340 CYS SG . . . 68 . ZN . . . . . 52 . SG . . c16510_2ke1 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; define distances to cys to make sure that the zinc atoms stay "close" to the protein... use double quotes for "ZN" since + is a wild card and CNS will not read the restraint otherwise !!! ; 1 1 2 103 c16510_2ke1 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .69.HT#' (nmrStar names) not linked" c16510_2ke1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c16510_2ke1 _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 5 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16510_2ke1 3 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'spec=15N_...spin, no=5, id=1954, vol=1.641501e+06' 1 127 1 178 c16510_2ke1 3 2 'spec=15N_...spin, no=6, id=1955, vol=3.978898e+07' 3 127 3 178 c16510_2ke1 3 3 'spec=15N_...spin, no=23, id=1961, vol=5.311207e+06' 5 127 5 179 c16510_2ke1 3 4 'spec=15N_...spin, no=39, id=1963, vol=4.932868e+06' 7 127 7 179 c16510_2ke1 3 5 'spec=15N_...spin, no=40, id=1964, vol=2.242180e+06' 9 127 9 179 c16510_2ke1 3 6 'spec=15N_...spin, no=53, id=1968, vol=6.916218e+06' 12 127 12 179 c16510_2ke1 3 7 'spec=aronoesy, no=48, id=18, vol=6.834361e+07' 14 127 14 174 c16510_2ke1 3 8 'spec=aronoesy, no=68, id=34, vol=9.582485e+06' 16 127 16 174 c16510_2ke1 3 9 'spec=cnoesy, no=17, id=516, vol=1.012101e+09' 18 127 18 173 c16510_2ke1 3 10 'spec=cnoesy, no=69, id=559, vol=2.750949e+09' 20 127 20 173 c16510_2ke1 3 11 'spec=cnoesy, no=112, id=597, vol=3.192115e+08' 29 127 29 174 c16510_2ke1 3 12 'spec=cnoesy, no=114, id=599, vol=3.592844e+08' 31 127 31 174 c16510_2ke1 3 13 'spec=cnoesy, no=124, id=607, vol=8.411969e+08' 33 127 33 174 c16510_2ke1 3 14 'spec=cnoesy, no=125, id=608, vol=3.554831e+08' 35 127 35 174 c16510_2ke1 3 15 'spec=cnoesy, no=127, id=609, vol=1.717643e+08' 37 127 37 174 c16510_2ke1 3 16 'spec=cnoesy, no=128, id=610, vol=2.655534e+08' 39 127 39 174 c16510_2ke1 3 17 'spec=cnoesy, no=175, id=652, vol=1.255350e+09' 41 127 41 174 c16510_2ke1 3 18 'spec=cnoesy, no=180, id=656, vol=1.920375e+08' 43 127 43 174 c16510_2ke1 3 19 'spec=cnoesy, no=184, id=659, vol=1.540011e+09' 45 127 45 174 c16510_2ke1 3 20 'spec=cnoesy, no=185, id=660, vol=7.801374e+08' 47 127 47 174 c16510_2ke1 3 21 'spec=cnoesy, no=190, id=664, vol=1.580008e+09' 49 127 49 174 c16510_2ke1 3 22 'spec=cnoesy, no=205, id=678, vol=2.558508e+08' 52 127 52 174 c16510_2ke1 3 23 'spec=cnoesy, no=217, id=688, vol=9.102429e+08' 54 127 54 174 c16510_2ke1 3 24 'spec=cnoesy, no=219, id=690, vol=9.270774e+08' 60 127 60 174 c16510_2ke1 3 25 'spec=cnoesy, no=242, id=707, vol=4.144977e+08' 66 127 66 174 c16510_2ke1 3 26 'spec=cnoesy, no=288, id=742, vol=5.909824e+08' 68 127 68 174 c16510_2ke1 3 27 'spec=cnoesy, no=290, id=744, vol=5.508855e+08' 70 127 70 174 c16510_2ke1 3 28 'spec=cnoesy, no=300, id=751, vol=5.382229e+08' 72 127 72 174 c16510_2ke1 3 29 'spec=cnoesy, no=301, id=752, vol=4.135683e+08' 78 127 78 174 c16510_2ke1 3 30 'spec=cnoesy, no=302, id=753, vol=9.209978e+08' 80 127 80 174 c16510_2ke1 3 31 'spec=cnoesy, no=307, id=757, vol=2.043796e+09' 82 127 82 174 c16510_2ke1 3 32 'spec=cnoesy, no=308, id=758, vol=6.304713e+08' 88 127 88 174 c16510_2ke1 3 33 'spec=cnoesy, no=309, id=759, vol=1.152305e+09' 90 127 90 174 c16510_2ke1 3 34 'spec=cnoesy, no=317, id=762, vol=1.603243e+09' 102 127 102 174 c16510_2ke1 3 35 'spec=cnoesy, no=343, id=782, vol=3.609141e+08' 104 127 104 174 c16510_2ke1 3 36 'spec=cnoesy, no=355, id=790, vol=4.715950e+08' 110 127 110 174 c16510_2ke1 3 37 'spec=cnoesy, no=370, id=798, vol=5.739995e+08' 116 127 116 174 c16510_2ke1 3 38 'spec=cnoesy, no=389, id=805, vol=3.125807e+08' 118 127 118 174 c16510_2ke1 3 39 'spec=cnoesy, no=400, id=813, vol=7.511942e+07' 124 127 124 174 c16510_2ke1 3 40 'spec=cnoesy, no=463, id=862, vol=2.404151e+08' 130 127 130 174 c16510_2ke1 3 41 'spec=cnoesy, no=507, id=899, vol=6.746647e+08' 136 127 136 174 c16510_2ke1 3 42 'spec=cnoesy, no=509, id=901, vol=8.795460e+07' 138 127 138 174 c16510_2ke1 3 43 'spec=cnoesy, no=543, id=926, vol=3.222106e+08' 141 127 141 174 c16510_2ke1 3 44 'spec=cnoesy, no=573, id=947, vol=1.071707e+09' 143 127 143 174 c16510_2ke1 3 45 'spec=cnoesy, no=575, id=949, vol=3.839150e+08' 149 127 149 174 c16510_2ke1 3 46 'spec=cnoesy, no=583, id=953, vol=1.205422e+08' 151 127 151 174 c16510_2ke1 3 47 'spec=cnoesy, no=588, id=956, vol=5.395651e+08' 153 127 153 174 c16510_2ke1 3 48 'spec=cnoesy, no=592, id=958, vol=1.119621e+08' 155 127 155 174 c16510_2ke1 3 49 'spec=cnoesy, no=593, id=959, vol=1.306182e+08' 157 127 157 174 c16510_2ke1 3 50 'spec=cnoesy, no=594, id=960, vol=1.329790e+09' 159 127 159 174 c16510_2ke1 3 51 'spec=cnoesy, no=595, id=961, vol=3.592792e+08' 168 127 168 174 c16510_2ke1 3 52 'spec=cnoesy, no=596, id=962, vol=8.759281e+08' 170 127 170 174 c16510_2ke1 3 53 'spec=cnoesy, no=605, id=965, vol=2.709426e+09' 172 127 172 174 c16510_2ke1 3 54 'spec=cnoesy, no=610, id=966, vol=1.063376e+08' 175 127 175 174 c16510_2ke1 3 55 'spec=cnoesy, no=648, id=983, vol=3.239184e+08' 177 127 177 174 c16510_2ke1 3 56 'spec=cnoesy, no=649, id=984, vol=2.672671e+08' 179 127 179 174 c16510_2ke1 3 57 'spec=cnoesy, no=658, id=992, vol=3.286148e+08' 183 127 183 174 c16510_2ke1 3 58 'spec=cnoesy, no=704, id=1010, vol=4.497742e+07' 189 127 189 175 c16510_2ke1 3 59 'spec=cnoesy, no=741, id=1030, vol=1.615346e+08' 191 127 191 175 c16510_2ke1 3 60 'spec=cnoesy, no=753, id=1038, vol=3.488658e+08' 194 127 194 175 c16510_2ke1 3 61 'spec=cnoesy, no=758, id=1041, vol=4.145093e+07' 196 127 196 175 c16510_2ke1 3 62 'spec=cnoesy, no=759, id=1042, vol=1.992417e+08' 198 127 198 175 c16510_2ke1 3 63 'spec=cnoesy, no=818, id=1065, vol=6.771891e+08' 200 127 200 175 c16510_2ke1 3 64 'spec=cnoesy, no=845, id=1077, vol=6.762095e+08' 202 127 202 175 c16510_2ke1 3 65 'spec=cnoesy, no=846, id=1078, vol=1.478001e+09' 204 127 204 175 c16510_2ke1 3 66 'spec=cnoesy, no=854, id=1081, vol=2.206698e+09' 206 127 206 175 c16510_2ke1 3 67 'spec=cnoesy, no=866, id=1090, vol=1.666062e+09' 218 127 218 175 c16510_2ke1 3 68 'spec=cnoesy, no=872, id=1091, vol=1.144737e+09' 220 127 220 175 c16510_2ke1 3 69 'spec=cnoesy, no=912, id=1114, vol=6.984139e+07' 223 127 223 175 c16510_2ke1 3 70 'spec=cnoesy, no=924, id=1120, vol=4.317663e+08' 225 127 225 175 c16510_2ke1 3 71 'spec=cnoesy, no=936, id=1123, vol=4.925953e+07' 229 127 229 175 c16510_2ke1 3 72 'spec=cnoesyH2O, no=31, id=1153, vol=2.809192e+08' 231 127 231 177 c16510_2ke1 3 73 'spec=cnoesyH2O, no=76, id=1182, vol=8.052035e+07' 233 127 233 177 c16510_2ke1 3 74 'spec=cnoesyH2O, no=77, id=1183, vol=1.195344e+08' 235 127 235 177 c16510_2ke1 3 75 'spec=cnoesyH2O, no=153, id=1240, vol=4.434132e+08' 237 127 237 178 c16510_2ke1 3 76 'spec=cnoesyH2O, no=157, id=1241, vol=7.978284e+08' 239 127 239 178 c16510_2ke1 3 77 'spec=cnoesyH2O, no=170, id=1249, vol=1.018839e+09' 241 127 241 178 c16510_2ke1 3 78 'spec=cnoesyH2O, no=225, id=1290, vol=1.078607e+09' 243 127 243 178 c16510_2ke1 3 79 'spec=cnoesyH2O, no=243, id=1298, vol=7.486996e+08' 245 127 245 178 c16510_2ke1 3 80 'spec=cnoesyH2O, no=274, id=1316, vol=5.890686e+08' 249 127 249 178 c16510_2ke1 3 81 'spec=cnoesyH2O, no=283, id=1322, vol=1.322363e+09' 251 127 251 178 c16510_2ke1 3 82 'spec=cnoesyH2O, no=289, id=1327, vol=1.296827e+09' 253 127 253 178 c16510_2ke1 3 83 'spec=cnoesyH2O, no=301, id=1333, vol=1.118081e+09' 257 127 257 178 c16510_2ke1 3 84 'spec=cnoesyH2O, no=318, id=1348, vol=1.482081e+09' 263 127 263 178 c16510_2ke1 3 85 'spec=cnoesyH2O, no=327, id=1354, vol=1.647072e+09' 265 127 265 178 c16510_2ke1 3 86 'spec=cnoesyH2O, no=349, id=1366, vol=1.502554e+09' 271 127 271 178 c16510_2ke1 3 87 'spec=cnoesyH2O, no=362, id=1375, vol=9.051771e+08' 274 127 274 178 c16510_2ke1 3 88 'spec=cnoesyH2O, no=378, id=1385, vol=9.339043e+08' 276 127 276 178 c16510_2ke1 3 89 'spec=cnoesyH2O, no=398, id=1401, vol=8.292704e+08' 278 127 278 178 c16510_2ke1 3 90 'spec=cnoesyH2O, no=404, id=1406, vol=8.369777e+08' 280 127 280 178 c16510_2ke1 3 91 'spec=cnoesyH2O, no=424, id=1418, vol=1.652282e+09' 286 127 286 178 c16510_2ke1 3 92 'spec=cnoesyH2O, no=425, id=1419, vol=4.373945e+08' 288 127 288 178 c16510_2ke1 3 93 'spec=cnoesyH2O, no=443, id=1425, vol=1.296805e+09' 290 127 290 178 c16510_2ke1 3 94 'spec=cnoesyH2O, no=496, id=1464, vol=5.138835e+07' 292 127 292 178 c16510_2ke1 3 95 'spec=cnoesyH2O, no=509, id=1475, vol=3.202269e+08' 304 127 304 178 c16510_2ke1 3 96 'spec=cnoesyH2O, no=565, id=1511, vol=3.832445e+07' 306 127 306 178 c16510_2ke1 3 97 'spec=cnoesyH2O, no=671, id=1572, vol=9.292173e+07' 308 127 308 178 c16510_2ke1 3 98 'spec=cnoesyH2O, no=772, id=1621, vol=2.910824e+08' 312 127 312 178 c16510_2ke1 3 99 'spec=cnoesyH2O, no=824, id=1659, vol=1.191143e+08' 318 127 318 178 c16510_2ke1 3 100 'spec=cnoesyH2O, no=852, id=1673, vol=1.870952e+08' 324 127 324 178 c16510_2ke1 3 101 'spec=cnoesyH2O, no=938, id=1721, vol=8.028369e+08' 330 127 330 178 c16510_2ke1 3 102 'spec=cnoesyH2O, no=944, id=1724, vol=1.638272e+08' 332 127 332 178 c16510_2ke1 3 103 'spec=cnoesyH2O, no=978, id=1736, vol=9.293635e+08' 338 127 338 178 c16510_2ke1 3 104 'spec=cnoesyH2O, no=986, id=1741, vol=3.722467e+08' 344 127 344 178 c16510_2ke1 3 105 'spec=cnoesyH2O, no=996, id=1746, vol=6.654481e+08' 346 127 346 178 c16510_2ke1 3 106 'spec=cnoesyH2O, no=1046, id=1779, vol=5.726807e+08' 348 127 348 179 c16510_2ke1 3 107 'spec=cnoesyH2O, no=1091, id=1815, vol=4.241555e+08' 350 127 350 179 c16510_2ke1 3 108 'spec=cnoesyH2O, no=1110, id=1822, vol=1.147514e+09' 352 127 352 179 c16510_2ke1 3 109 'spec=cnoesyH2O, no=1146, id=1834, vol=2.209440e+08' 354 127 354 179 c16510_2ke1 3 110 'spec=cnoesyH2O, no=1209, id=1849, vol=5.440244e+07' 356 127 356 179 c16510_2ke1 3 111 'spec=cnoesyH2O, no=1292, id=1869, vol=3.605188e+07' 358 127 358 179 c16510_2ke1 3 112 'spec=nnoesy, no=16, id=76, vol=8.856065e+07' 360 127 360 172 c16510_2ke1 3 113 'spec=nnoesy, no=20, id=80, vol=8.552383e+08' 362 127 362 172 c16510_2ke1 3 114 'spec=nnoesy, no=30, id=89, vol=8.420613e+07' 365 127 365 172 c16510_2ke1 3 115 'spec=nnoesy, no=68, id=124, vol=3.968193e+08' 367 127 367 173 c16510_2ke1 3 116 'spec=nnoesy, no=74, id=127, vol=2.488777e+08' 369 127 369 173 c16510_2ke1 3 117 'spec=nnoesy, no=82, id=135, vol=1.409595e+08' 371 127 371 173 c16510_2ke1 3 118 'spec=nnoesy, no=83, id=136, vol=4.085845e+08' 373 127 373 173 c16510_2ke1 3 119 'spec=nnoesy, no=92, id=144, vol=5.538810e+08' 375 127 375 173 c16510_2ke1 3 120 'spec=nnoesy, no=99, id=150, vol=1.030192e+08' 377 127 377 173 c16510_2ke1 3 121 'spec=nnoesy, no=101, id=152, vol=7.224693e+08' 379 127 379 174 c16510_2ke1 3 122 'spec=nnoesy, no=119, id=167, vol=2.676370e+08' 381 127 381 174 c16510_2ke1 3 123 'spec=nnoesy, no=125, id=171, vol=4.114500e+08' 383 127 383 174 c16510_2ke1 3 124 'spec=nnoesy, no=142, id=188, vol=9.655452e+08' 389 127 389 174 c16510_2ke1 3 125 'spec=nnoesy, no=145, id=191, vol=2.425753e+08' 391 127 391 174 c16510_2ke1 3 126 'spec=nnoesy, no=153, id=199, vol=1.318819e+08' 393 127 393 174 c16510_2ke1 3 127 'spec=nnoesy, no=161, id=207, vol=1.336684e+08' 399 127 399 174 c16510_2ke1 3 128 'spec=nnoesy, no=162, id=208, vol=7.028489e+08' 401 127 401 174 c16510_2ke1 3 129 'spec=nnoesy, no=171, id=216, vol=2.299013e+08' 403 127 403 174 c16510_2ke1 3 130 'spec=nnoesy, no=177, id=222, vol=1.557644e+08' 405 127 405 174 c16510_2ke1 3 131 'spec=nnoesy, no=181, id=226, vol=3.617306e+08' 407 127 407 174 c16510_2ke1 3 132 'spec=nnoesy, no=185, id=230, vol=1.949752e+08' 409 127 409 174 c16510_2ke1 3 133 'spec=nnoesy, no=186, id=231, vol=1.759690e+08' 411 127 411 174 c16510_2ke1 3 134 'spec=nnoesy, no=187, id=232, vol=3.493608e+08' 413 127 413 174 c16510_2ke1 3 135 'spec=nnoesy, no=193, id=238, vol=1.674524e+08' 415 127 415 174 c16510_2ke1 3 136 'spec=nnoesy, no=194, id=239, vol=3.786596e+08' 417 127 417 174 c16510_2ke1 3 137 'spec=nnoesy, no=208, id=252, vol=7.665890e+08' 419 127 419 174 c16510_2ke1 3 138 'spec=nnoesy, no=215, id=257, vol=1.361231e+08' 421 127 421 174 c16510_2ke1 3 139 'spec=nnoesy, no=282, id=308, vol=6.238806e+07' 423 127 423 174 c16510_2ke1 3 140 'spec=nnoesy, no=288, id=313, vol=3.727548e+08' 425 127 425 174 c16510_2ke1 3 141 'spec=nnoesy, no=290, id=314, vol=7.906995e+07' 427 127 427 174 c16510_2ke1 3 142 'spec=nnoesy, no=294, id=318, vol=1.086976e+08' 429 127 429 174 c16510_2ke1 3 143 'spec=nnoesy, no=296, id=320, vol=1.254363e+08' 431 127 431 174 c16510_2ke1 3 144 'spec=nnoesy, no=302, id=325, vol=7.510528e+08' 433 127 433 174 c16510_2ke1 3 145 'spec=nnoesy, no=311, id=334, vol=3.237850e+08' 435 127 435 174 c16510_2ke1 3 146 'spec=nnoesy, no=323, id=346, vol=8.432970e+07' 437 127 437 174 c16510_2ke1 3 147 'spec=nnoesy, no=395, id=408, vol=2.306573e+08' 439 127 439 174 c16510_2ke1 3 148 'spec=nnoesy, no=408, id=416, vol=7.510895e+08' 441 127 441 174 c16510_2ke1 3 149 'spec=nnoesy, no=416, id=424, vol=3.492810e+07' 443 127 443 174 c16510_2ke1 3 150 'spec=nnoesy, no=417, id=425, vol=3.023223e+07' 449 127 449 174 c16510_2ke1 3 151 'spec=nnoesy, no=424, id=431, vol=1.256795e+08' 451 127 451 174 c16510_2ke1 3 152 'spec=nnoesy, no=426, id=433, vol=2.170402e+08' 457 127 457 174 c16510_2ke1 3 153 'spec=nnoesy, no=429, id=436, vol=8.647165e+07' 459 127 459 174 c16510_2ke1 3 154 'spec=nnoesy, no=434, id=440, vol=1.890511e+08' 461 127 461 174 c16510_2ke1 3 155 'spec=nnoesy, no=437, id=443, vol=1.030833e+08' 467 127 467 174 c16510_2ke1 3 156 'spec=nnoesy, no=443, id=448, vol=2.779736e+08' 469 127 469 174 c16510_2ke1 3 157 'spec=nnoesy, no=449, id=454, vol=8.241977e+07' 471 127 471 174 c16510_2ke1 3 158 'spec=nnoesy, no=450, id=455, vol=3.260589e+07' 473 127 473 174 c16510_2ke1 3 159 'spec=nnoesy, no=468, id=466, vol=2.106852e+07' 475 127 475 174 c16510_2ke1 3 160 'spec=nnoesy, no=475, id=471, vol=3.283933e+07' 477 127 477 174 c16510_2ke1 3 161 'spec=nnoesy, no=479, id=473, vol=2.760979e+07' 479 127 479 174 c16510_2ke1 3 162 'spec=nnoesy, no=483, id=474, vol=2.254674e+08' 481 127 481 174 c16510_2ke1 3 163 'spec=nnoesy, no=517, id=490, vol=2.100966e+08' 483 127 483 174 c16510_2ke1 3 164 'spec=noes..._new, no=10, id=1884, vol=4.307130e+05' 485 127 485 179 c16510_2ke1 3 165 'spec=noes..._new, no=27, id=1896, vol=1.465150e+05' 487 127 487 179 c16510_2ke1 3 166 'spec=noes..._new, no=29, id=1898, vol=1.131110e+05' 489 127 489 179 c16510_2ke1 3 167 'spec=noes..._new, no=30, id=1899, vol=4.062700e+04' 491 127 491 179 c16510_2ke1 3 168 'spec=noes..._new, no=31, id=1900, vol=6.840400e+04' 493 127 493 179 c16510_2ke1 3 169 'spec=noes..._new, no=60, id=1908, vol=1.930948e+06' 495 127 495 179 c16510_2ke1 3 170 'spec=noes..._new, no=63, id=1909, vol=1.947840e+05' 497 127 497 179 c16510_2ke1 3 171 'spec=noes..._new, no=73, id=1911, vol=1.417120e+05' 499 127 499 179 c16510_2ke1 3 172 'spec=noes..._new, no=81, id=1914, vol=8.199400e+04' 501 127 501 179 c16510_2ke1 3 173 'spec=noes..._new, no=106, id=1920, vol=5.269700e+04' 503 127 503 180 c16510_2ke1 3 174 'spec=noes..._new, no=123, id=1925, vol=4.350300e+04' 505 127 505 180 c16510_2ke1 3 175 'spec=noes..._new, no=139, id=1930, vol=3.129170e+05' 507 127 507 180 c16510_2ke1 3 176 'spec=noes..._new, no=140, id=1931, vol=8.759400e+04' 510 127 510 180 c16510_2ke1 3 177 'spec=noes..._new, no=141, id=1932, vol=2.471140e+05' 513 127 513 180 c16510_2ke1 3 178 'spec=noesy2dxf, no=16, id=2040, vol=5.487505e+07' 515 127 515 177 c16510_2ke1 3 179 'spec=noesy2dxf, no=26, id=2047, vol=5.500551e+07' 517 127 517 177 c16510_2ke1 3 180 'spec=noesy2dxf, no=39, id=2051, vol=2.914507e+07' 519 127 519 177 c16510_2ke1 3 181 'spec=noesy2dxf, no=46, id=2054, vol=1.421450e+08' 521 127 521 177 c16510_2ke1 3 182 'spec=xf_n..._D2O, no=1, id=1983, vol=7.693955e+07' 524 127 524 178 c16510_2ke1 3 183 'spec=xf_n..._D2O, no=14, id=1987, vol=3.836468e+07' 526 127 526 179 c16510_2ke1 3 184 'spec=xf_n..._D2O, no=15, id=1988, vol=5.115531e+07' 530 127 530 179 c16510_2ke1 3 185 'spec=xf_n..._D2O, no=17, id=1989, vol=2.809413e+07' 536 127 536 179 c16510_2ke1 3 186 'spec=xf_n..._D2O, no=23, id=1992, vol=5.880526e+07' 538 127 538 179 c16510_2ke1 3 187 'spec=xf_n..._D2O, no=54, id=1996, vol=1.457106e+08' 544 127 544 179 c16510_2ke1 3 188 'spec=xf_n..._D2O, no=56, id=1998, vol=9.159562e+07' 548 127 548 179 c16510_2ke1 3 189 'spec=xf_p..._new, no=3, id=2013, vol=1.024420e+08' 552 127 552 178 c16510_2ke1 3 190 'spec=xf_p..._new, no=13, id=2022, vol=1.218314e+07' 570 127 570 179 c16510_2ke1 3 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 5 1 1 "Not handling restraint 1, item 2, resonance(s) 'A.19.HN' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 2 5 1 1 "Not handling restraint 1, item 3, resonance(s) 'A.19.HN' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 3 5 2 1 "Not handling restraint 2, item 2, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HB1' (nmrStar names) not linked" c16510_2ke1 3 4 5 2 1 "Not handling restraint 2, item 3, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HG1' (nmrStar names) not linked" c16510_2ke1 3 5 5 3 1 "Not handling restraint 3, item 2, resonance(s) 'A.22.HN' (nmrStar names),'B.72.HG1' (nmrStar names) not linked" c16510_2ke1 3 6 5 3 1 "Not handling restraint 3, item 3, resonance(s) 'A.22.HN' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 3 7 5 4 1 "Not handling restraint 4, item 2, resonance(s) 'A.18.HN' (nmrStar names),'B.77.HN' (nmrStar names) not linked" c16510_2ke1 3 8 5 4 1 "Not handling restraint 4, item 3, resonance(s) 'A.18.HN' (nmrStar names),'B.76.HN' (nmrStar names) not linked" c16510_2ke1 3 9 5 5 1 "Not handling restraint 5, item 2, resonance(s) 'B.76.HG1' (nmrStar names),'A.18.HN' (nmrStar names) not linked" c16510_2ke1 3 10 5 5 1 "Not handling restraint 5, item 3, resonance(s) 'A.18.HN' (nmrStar names),'B.72.HB1' (nmrStar names) not linked" c16510_2ke1 3 11 5 5 1 "Not handling restraint 5, item 4, resonance(s) 'A.18.HN' (nmrStar names),'B.72.HB2' (nmrStar names) not linked" c16510_2ke1 3 12 5 6 1 "Not handling restraint 6, item 2, resonance(s) 'A.7.HN' (nmrStar names),'A.6.HG2' (nmrStar names) not linked" c16510_2ke1 3 13 5 6 1 "Not handling restraint 6, item 3, resonance(s) 'A.6.HG1' (nmrStar names),'A.7.HN' (nmrStar names) not linked" c16510_2ke1 3 14 5 7 1 "Not handling restraint 7, item 2, resonance(s) 'A.47.HD1' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 3 15 5 7 1 "Not handling restraint 7, item 3, resonance(s) 'A.47.HD1' (nmrStar names),'A.43.HG1' (nmrStar names) not linked" c16510_2ke1 3 16 5 8 1 "Not handling restraint 8, item 2, resonance(s) 'A.31.HD2' (nmrStar names),'A.19.HA' (nmrStar names) not linked" c16510_2ke1 3 17 5 8 1 "Not handling restraint 8, item 3, resonance(s) 'A.31.HD2' (nmrStar names),'A.18.HA1' (nmrStar names) not linked" c16510_2ke1 3 18 5 9 1 "Not handling restraint 9, item 2, resonance(s) 'A.44.HA' (nmrStar names),'A.44.HB1' (nmrStar names) not linked" c16510_2ke1 3 19 5 9 1 "Not handling restraint 9, item 3, resonance(s) 'A.44.HA' (nmrStar names),'A.44.HB2' (nmrStar names) not linked" c16510_2ke1 3 20 5 10 1 "Not handling restraint 10, item 10, resonance(s) 'A.39.HD22' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 21 5 10 1 "Not handling restraint 10, item 2, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HD13' (nmrStar names) not linked" c16510_2ke1 3 22 5 10 1 "Not handling restraint 10, item 3, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HD11' (nmrStar names) not linked" c16510_2ke1 3 23 5 10 1 "Not handling restraint 10, item 4, resonance(s) 'A.53.HB1' (nmrStar names),'A.53.HD12' (nmrStar names) not linked" c16510_2ke1 3 24 5 10 1 "Not handling restraint 10, item 5, resonance(s) 'A.53.HD13' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 25 5 10 1 "Not handling restraint 10, item 6, resonance(s) 'A.53.HD11' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 26 5 10 1 "Not handling restraint 10, item 7, resonance(s) 'A.53.HD12' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 27 5 10 1 "Not handling restraint 10, item 8, resonance(s) 'A.39.HD21' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 28 5 10 1 "Not handling restraint 10, item 9, resonance(s) 'A.39.HD23' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 29 5 11 1 "Not handling restraint 11, item 2, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HG1' (nmrStar names) not linked" c16510_2ke1 3 30 5 11 1 "Not handling restraint 11, item 3, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HG2' (nmrStar names) not linked" c16510_2ke1 3 31 5 12 1 "Not handling restraint 12, item 2, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" c16510_2ke1 3 32 5 12 1 "Not handling restraint 12, item 3, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" c16510_2ke1 3 33 5 13 1 "Not handling restraint 13, item 2, resonance(s) 'A.15.HG2' (nmrStar names),'A.15.HD1' (nmrStar names) not linked" c16510_2ke1 3 34 5 13 1 "Not handling restraint 13, item 3, resonance(s) 'A.15.HG2' (nmrStar names),'A.15.HD2' (nmrStar names) not linked" c16510_2ke1 3 35 5 14 1 "Not handling restraint 14, item 2, resonance(s) 'A.6.HG1' (nmrStar names),'A.6.HE2' (nmrStar names) not linked" c16510_2ke1 3 36 5 14 1 "Not handling restraint 14, item 3, resonance(s) 'A.6.HG1' (nmrStar names),'A.6.HE1' (nmrStar names) not linked" c16510_2ke1 3 37 5 15 1 "Not handling restraint 15, item 2, resonance(s) 'A.38.HB1' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 38 5 15 1 "Not handling restraint 15, item 3, resonance(s) 'A.38.HB1' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 39 5 16 1 "Not handling restraint 16, item 2, resonance(s) 'A.6.HB2' (nmrStar names),'A.6.HG2' (nmrStar names) not linked" c16510_2ke1 3 40 5 16 1 "Not handling restraint 16, item 3, resonance(s) 'A.6.HG1' (nmrStar names),'A.6.HB2' (nmrStar names) not linked" c16510_2ke1 3 41 5 17 1 "Not handling restraint 17, item 2, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HD1' (nmrStar names) not linked" c16510_2ke1 3 42 5 17 1 "Not handling restraint 17, item 3, resonance(s) 'A.15.HG1' (nmrStar names),'A.15.HD2' (nmrStar names) not linked" c16510_2ke1 3 43 5 18 1 "Not handling restraint 18, item 2, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 44 5 18 1 "Not handling restraint 18, item 3, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 45 5 19 1 "Not handling restraint 19, item 2, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" c16510_2ke1 3 46 5 19 1 "Not handling restraint 19, item 3, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HB1' (nmrStar names) not linked" c16510_2ke1 3 47 5 20 1 "Not handling restraint 20, item 2, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HB2' (nmrStar names) not linked" c16510_2ke1 3 48 5 20 1 "Not handling restraint 20, item 3, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HB1' (nmrStar names) not linked" c16510_2ke1 3 49 5 21 1 "Not handling restraint 21, item 2, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HB2' (nmrStar names) not linked" c16510_2ke1 3 50 5 21 1 "Not handling restraint 21, item 3, resonance(s) 'A.15.HB2' (nmrStar names),'A.15.HA' (nmrStar names) not linked" c16510_2ke1 3 51 5 21 1 "Not handling restraint 21, item 4, resonance(s) 'A.8.HA' (nmrStar names),'A.8.HB1' (nmrStar names) not linked" c16510_2ke1 3 52 5 22 1 "Not handling restraint 22, item 2, resonance(s) 'A.15.HG2' (nmrStar names),'A.15.HA' (nmrStar names) not linked" c16510_2ke1 3 53 5 22 1 "Not handling restraint 22, item 3, resonance(s) 'A.53.HG' (nmrStar names),'A.53.HA' (nmrStar names) not linked" c16510_2ke1 3 54 5 23 1 "Not handling restraint 23, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 55 5 23 1 "Not handling restraint 23, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 56 5 23 1 "Not handling restraint 23, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 57 5 23 1 "Not handling restraint 23, item 5, resonance(s) 'A.20.HD13' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 58 5 23 1 "Not handling restraint 23, item 6, resonance(s) 'A.20.HD11' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 59 5 23 1 "Not handling restraint 23, item 7, resonance(s) 'A.20.HD12' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 60 5 24 1 "Not handling restraint 24, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 61 5 24 1 "Not handling restraint 24, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 62 5 24 1 "Not handling restraint 24, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 63 5 24 1 "Not handling restraint 24, item 5, resonance(s) 'A.20.HD21' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 64 5 24 1 "Not handling restraint 24, item 6, resonance(s) 'A.20.HD23' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 65 5 24 1 "Not handling restraint 24, item 7, resonance(s) 'A.20.HD22' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 66 5 25 1 "Not handling restraint 25, item 2, resonance(s) 'A.35.HA' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 3 67 5 25 1 "Not handling restraint 25, item 3, resonance(s) 'A.35.HA' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 3 68 5 26 1 "Not handling restraint 26, item 2, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 69 5 26 1 "Not handling restraint 26, item 3, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HB2' (nmrStar names) not linked" c16510_2ke1 3 70 5 27 1 "Not handling restraint 27, item 2, resonance(s) 'A.48.HD2' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 71 5 27 1 "Not handling restraint 27, item 3, resonance(s) 'A.48.HB2' (nmrStar names),'A.48.HD2' (nmrStar names) not linked" c16510_2ke1 3 72 5 28 1 "Not handling restraint 28, item 2, resonance(s) 'A.53.HD13' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 3 73 5 28 1 "Not handling restraint 28, item 3, resonance(s) 'A.53.HD11' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 3 74 5 28 1 "Not handling restraint 28, item 4, resonance(s) 'A.53.HD12' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 3 75 5 28 1 "Not handling restraint 28, item 5, resonance(s) 'A.53.HD21' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 3 76 5 28 1 "Not handling restraint 28, item 6, resonance(s) 'A.53.HD23' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 3 77 5 28 1 "Not handling restraint 28, item 7, resonance(s) 'A.53.HD22' (nmrStar names),'A.53.HG' (nmrStar names) not linked" c16510_2ke1 3 78 5 29 1 "Not handling restraint 29, item 2, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HG1' (nmrStar names) not linked" c16510_2ke1 3 79 5 29 1 "Not handling restraint 29, item 3, resonance(s) 'A.54.HG2' (nmrStar names),'A.54.HA' (nmrStar names) not linked" c16510_2ke1 3 80 5 30 1 "Not handling restraint 30, item 2, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HB1' (nmrStar names) not linked" c16510_2ke1 3 81 5 30 1 "Not handling restraint 30, item 3, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HB2' (nmrStar names) not linked" c16510_2ke1 3 82 5 31 1 "Not handling restraint 31, item 2, resonance(s) 'A.56.HG22' (nmrStar names),'A.56.HB' (nmrStar names) not linked" c16510_2ke1 3 83 5 31 1 "Not handling restraint 31, item 3, resonance(s) 'A.56.HG21' (nmrStar names),'A.56.HB' (nmrStar names) not linked" c16510_2ke1 3 84 5 31 1 "Not handling restraint 31, item 4, resonance(s) 'A.56.HG23' (nmrStar names),'A.56.HB' (nmrStar names) not linked" c16510_2ke1 3 85 5 31 1 "Not handling restraint 31, item 5, resonance(s) 'A.56.HG22' (nmrStar names),'A.56.HA' (nmrStar names) not linked" c16510_2ke1 3 86 5 31 1 "Not handling restraint 31, item 6, resonance(s) 'A.56.HA' (nmrStar names),'A.56.HG21' (nmrStar names) not linked" c16510_2ke1 3 87 5 31 1 "Not handling restraint 31, item 7, resonance(s) 'A.56.HA' (nmrStar names),'A.56.HG23' (nmrStar names) not linked" c16510_2ke1 3 88 5 32 1 "Not handling restraint 32, item 2, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HB' (nmrStar names) not linked" c16510_2ke1 3 89 5 32 1 "Not handling restraint 32, item 3, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HA' (nmrStar names) not linked" c16510_2ke1 3 90 5 33 1 "Not handling restraint 33, item 10, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HG13' (nmrStar names) not linked" c16510_2ke1 3 91 5 33 1 "Not handling restraint 33, item 11, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HG21' (nmrStar names) not linked" c16510_2ke1 3 92 5 33 1 "Not handling restraint 33, item 12, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HG22' (nmrStar names) not linked" c16510_2ke1 3 93 5 33 1 "Not handling restraint 33, item 13, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HG23' (nmrStar names) not linked" c16510_2ke1 3 94 5 33 1 "Not handling restraint 33, item 2, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HG12' (nmrStar names) not linked" c16510_2ke1 3 95 5 33 1 "Not handling restraint 33, item 3, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HG11' (nmrStar names) not linked" c16510_2ke1 3 96 5 33 1 "Not handling restraint 33, item 4, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HG13' (nmrStar names) not linked" c16510_2ke1 3 97 5 33 1 "Not handling restraint 33, item 5, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HG21' (nmrStar names) not linked" c16510_2ke1 3 98 5 33 1 "Not handling restraint 33, item 6, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HG22' (nmrStar names) not linked" c16510_2ke1 3 99 5 33 1 "Not handling restraint 33, item 7, resonance(s) 'A.60.HA' (nmrStar names),'A.60.HG23' (nmrStar names) not linked" c16510_2ke1 3 100 5 33 1 "Not handling restraint 33, item 8, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HG12' (nmrStar names) not linked" c16510_2ke1 3 101 5 33 1 "Not handling restraint 33, item 9, resonance(s) 'A.57.HA' (nmrStar names),'A.57.HG11' (nmrStar names) not linked" c16510_2ke1 3 102 5 34 1 "Not handling restraint 34, item 2, resonance(s) 'A.65.HA' (nmrStar names),'A.65.HB1' (nmrStar names) not linked" c16510_2ke1 3 103 5 34 1 "Not handling restraint 34, item 3, resonance(s) 'A.65.HA' (nmrStar names),'A.65.HB2' (nmrStar names) not linked" c16510_2ke1 3 104 5 35 1 "Not handling restraint 35, item 2, resonance(s) 'A.13.HG12' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 3 105 5 35 1 "Not handling restraint 35, item 3, resonance(s) 'A.13.HG11' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 3 106 5 35 1 "Not handling restraint 35, item 4, resonance(s) 'A.13.HG13' (nmrStar names),'A.34.HB2' (nmrStar names) not linked" c16510_2ke1 3 107 5 35 1 "Not handling restraint 35, item 5, resonance(s) 'A.13.HG12' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 3 108 5 35 1 "Not handling restraint 35, item 6, resonance(s) 'A.13.HG11' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 3 109 5 35 1 "Not handling restraint 35, item 7, resonance(s) 'A.13.HG13' (nmrStar names),'A.14.HB2' (nmrStar names) not linked" c16510_2ke1 3 110 5 36 1 "Not handling restraint 36, item 2, resonance(s) 'A.20.HD21' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 3 111 5 36 1 "Not handling restraint 36, item 3, resonance(s) 'A.20.HD23' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 3 112 5 36 1 "Not handling restraint 36, item 4, resonance(s) 'A.20.HD22' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 3 113 5 36 1 "Not handling restraint 36, item 5, resonance(s) 'A.20.HD21' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 3 114 5 36 1 "Not handling restraint 36, item 6, resonance(s) 'A.20.HD23' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 3 115 5 36 1 "Not handling restraint 36, item 7, resonance(s) 'A.20.HD22' (nmrStar names),'A.11.HA' (nmrStar names) not linked" c16510_2ke1 3 116 5 37 1 "Not handling restraint 37, item 2, resonance(s) 'A.28.HB1' (nmrStar names),'A.28.HA' (nmrStar names) not linked" c16510_2ke1 3 117 5 37 1 "Not handling restraint 37, item 3, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HB1' (nmrStar names) not linked" c16510_2ke1 3 118 5 38 1 "Not handling restraint 38, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 3 119 5 38 1 "Not handling restraint 38, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 3 120 5 38 1 "Not handling restraint 38, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 3 121 5 38 1 "Not handling restraint 38, item 5, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HD11' (nmrStar names) not linked" c16510_2ke1 3 122 5 38 1 "Not handling restraint 38, item 6, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 3 123 5 38 1 "Not handling restraint 38, item 7, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 3 124 5 39 1 "Not handling restraint 39, item 2, resonance(s) 'A.21.HG22' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 3 125 5 39 1 "Not handling restraint 39, item 3, resonance(s) 'A.21.HG23' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 3 126 5 39 1 "Not handling restraint 39, item 4, resonance(s) 'A.21.HG21' (nmrStar names),'A.32.HA' (nmrStar names) not linked" c16510_2ke1 3 127 5 39 1 "Not handling restraint 39, item 5, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HG22' (nmrStar names) not linked" c16510_2ke1 3 128 5 39 1 "Not handling restraint 39, item 6, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HG23' (nmrStar names) not linked" c16510_2ke1 3 129 5 39 1 "Not handling restraint 39, item 7, resonance(s) 'A.43.HD2' (nmrStar names),'A.21.HG21' (nmrStar names) not linked" c16510_2ke1 3 130 5 40 1 "Not handling restraint 40, item 2, resonance(s) 'A.35.HD21' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 3 131 5 40 1 "Not handling restraint 40, item 3, resonance(s) 'A.35.HD23' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 3 132 5 40 1 "Not handling restraint 40, item 4, resonance(s) 'A.35.HD22' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 3 133 5 40 1 "Not handling restraint 40, item 5, resonance(s) 'A.21.HG22' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 3 134 5 40 1 "Not handling restraint 40, item 6, resonance(s) 'A.21.HG23' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 3 135 5 40 1 "Not handling restraint 40, item 7, resonance(s) 'A.21.HG21' (nmrStar names),'A.30.HB1' (nmrStar names) not linked" c16510_2ke1 3 136 5 41 1 "Not handling restraint 41, item 2, resonance(s) 'A.33.HA' (nmrStar names),'A.38.HB1' (nmrStar names) not linked" c16510_2ke1 3 137 5 41 1 "Not handling restraint 41, item 3, resonance(s) 'A.38.HA' (nmrStar names),'A.38.HB1' (nmrStar names) not linked" c16510_2ke1 3 138 5 42 1 "Not handling restraint 42, item 2, resonance(s) 'A.32.HA' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 139 5 42 1 "Not handling restraint 42, item 3, resonance(s) 'A.43.HD2' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 3 140 5 42 1 "Not handling restraint 42, item 4, resonance(s) 'A.39.HB1' (nmrStar names),'A.42.HA' (nmrStar names) not linked" c16510_2ke1 3 141 5 43 1 "Not handling restraint 43, item 2, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 142 5 43 1 "Not handling restraint 43, item 3, resonance(s) 'A.48.HD2' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 143 5 44 1 "Not handling restraint 44, item 2, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG12' (nmrStar names) not linked" c16510_2ke1 3 144 5 44 1 "Not handling restraint 44, item 3, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG11' (nmrStar names) not linked" c16510_2ke1 3 145 5 44 1 "Not handling restraint 44, item 4, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG13' (nmrStar names) not linked" c16510_2ke1 3 146 5 44 1 "Not handling restraint 44, item 5, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG21' (nmrStar names) not linked" c16510_2ke1 3 147 5 44 1 "Not handling restraint 44, item 6, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG22' (nmrStar names) not linked" c16510_2ke1 3 148 5 44 1 "Not handling restraint 44, item 7, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG23' (nmrStar names) not linked" c16510_2ke1 3 149 5 45 1 "Not handling restraint 45, item 2, resonance(s) 'A.58.HA' (nmrStar names),'A.58.HG1' (nmrStar names) not linked" c16510_2ke1 3 150 5 45 1 "Not handling restraint 45, item 3, resonance(s) 'A.58.HA' (nmrStar names),'A.58.HG2' (nmrStar names) not linked" c16510_2ke1 3 151 5 46 1 "Not handling restraint 46, item 2, resonance(s) 'A.62.HA' (nmrStar names),'A.62.HD1' (nmrStar names) not linked" c16510_2ke1 3 152 5 46 1 "Not handling restraint 46, item 3, resonance(s) 'A.38.HA' (nmrStar names),'A.38.HD1' (nmrStar names) not linked" c16510_2ke1 3 153 5 47 1 "Not handling restraint 47, item 2, resonance(s) 'A.63.HA' (nmrStar names),'A.63.HD1' (nmrStar names) not linked" c16510_2ke1 3 154 5 47 1 "Not handling restraint 47, item 3, resonance(s) 'A.63.HA' (nmrStar names),'A.63.HD2' (nmrStar names) not linked" c16510_2ke1 3 155 5 48 1 "Not handling restraint 48, item 2, resonance(s) 'A.3.HG1' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" c16510_2ke1 3 156 5 48 1 "Not handling restraint 48, item 3, resonance(s) 'A.3.HG1' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" c16510_2ke1 3 157 5 49 1 "Not handling restraint 49, item 2, resonance(s) 'A.3.HB2' (nmrStar names),'A.3.HG2' (nmrStar names) not linked" c16510_2ke1 3 158 5 49 1 "Not handling restraint 49, item 3, resonance(s) 'A.3.HB1' (nmrStar names),'A.3.HG2' (nmrStar names) not linked" c16510_2ke1 3 159 5 50 1 "Not handling restraint 50, item 10, resonance(s) 'A.4.HA' (nmrStar names),'A.4.HB1' (nmrStar names) not linked" c16510_2ke1 3 160 5 50 1 "Not handling restraint 50, item 2, resonance(s) 'A.2.HA' (nmrStar names),'A.2.HB2' (nmrStar names) not linked" c16510_2ke1 3 161 5 50 1 "Not handling restraint 50, item 3, resonance(s) 'A.2.HA' (nmrStar names),'A.2.HB3' (nmrStar names) not linked" c16510_2ke1 3 162 5 50 1 "Not handling restraint 50, item 4, resonance(s) 'A.2.HA' (nmrStar names),'A.2.HB1' (nmrStar names) not linked" c16510_2ke1 3 163 5 50 1 "Not handling restraint 50, item 5, resonance(s) 'A.64.HB2' (nmrStar names),'A.64.HA' (nmrStar names) not linked" c16510_2ke1 3 164 5 50 1 "Not handling restraint 50, item 6, resonance(s) 'A.64.HB3' (nmrStar names),'A.64.HA' (nmrStar names) not linked" c16510_2ke1 3 165 5 50 1 "Not handling restraint 50, item 7, resonance(s) 'A.64.HB1' (nmrStar names),'A.64.HA' (nmrStar names) not linked" c16510_2ke1 3 166 5 50 1 "Not handling restraint 50, item 8, resonance(s) 'A.4.HA' (nmrStar names),'A.4.HB2' (nmrStar names) not linked" c16510_2ke1 3 167 5 50 1 "Not handling restraint 50, item 9, resonance(s) 'A.4.HA' (nmrStar names),'A.4.HB3' (nmrStar names) not linked" c16510_2ke1 3 168 5 51 1 "Not handling restraint 51, item 2, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HG1' (nmrStar names) not linked" c16510_2ke1 3 169 5 51 1 "Not handling restraint 51, item 3, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HA' (nmrStar names) not linked" c16510_2ke1 3 170 5 52 1 "Not handling restraint 52, item 2, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" c16510_2ke1 3 171 5 52 1 "Not handling restraint 52, item 3, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB1' (nmrStar names) not linked" c16510_2ke1 3 172 5 53 1 "Not handling restraint 53, item 2, resonance(s) 'A.6.HG2' (nmrStar names),'A.6.HD1' (nmrStar names) not linked" c16510_2ke1 3 173 5 53 1 "Not handling restraint 53, item 3, resonance(s) 'A.6.HB1' (nmrStar names),'A.6.HG2' (nmrStar names) not linked" c16510_2ke1 3 174 5 53 1 "Not handling restraint 53, item 4, resonance(s) 'A.6.HB1' (nmrStar names),'A.6.HG1' (nmrStar names) not linked" c16510_2ke1 3 175 5 54 1 "Not handling restraint 54, item 2, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HD2' (nmrStar names) not linked" c16510_2ke1 3 176 5 54 1 "Not handling restraint 54, item 3, resonance(s) 'A.6.HA' (nmrStar names),'A.6.HD1' (nmrStar names) not linked" c16510_2ke1 3 177 5 55 1 "Not handling restraint 55, item 2, resonance(s) 'A.20.HA' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 178 5 55 1 "Not handling restraint 55, item 3, resonance(s) 'A.20.HA' (nmrStar names),'A.20.HG' (nmrStar names) not linked" c16510_2ke1 3 179 5 56 1 "Not handling restraint 56, item 2, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 3 180 5 56 1 "Not handling restraint 56, item 3, resonance(s) 'A.29.HB2' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 3 181 5 56 1 "Not handling restraint 56, item 4, resonance(s) 'A.29.HB3' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 3 182 5 56 1 "Not handling restraint 56, item 5, resonance(s) 'A.29.HB1' (nmrStar names),'A.20.HA' (nmrStar names) not linked" c16510_2ke1 3 183 5 57 1 "Not handling restraint 57, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 3 184 5 57 1 "Not handling restraint 57, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 3 185 5 57 1 "Not handling restraint 57, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'A.10.HA' (nmrStar names) not linked" c16510_2ke1 3 186 5 57 1 "Not handling restraint 57, item 5, resonance(s) 'A.17.HA1' (nmrStar names),'A.20.HD13' (nmrStar names) not linked" c16510_2ke1 3 187 5 57 1 "Not handling restraint 57, item 6, resonance(s) 'A.17.HA1' (nmrStar names),'A.20.HD11' (nmrStar names) not linked" c16510_2ke1 3 188 5 57 1 "Not handling restraint 57, item 7, resonance(s) 'A.17.HA1' (nmrStar names),'A.20.HD12' (nmrStar names) not linked" c16510_2ke1 3 189 5 58 1 "Not handling restraint 58, item 2, resonance(s) 'A.23.HB2' (nmrStar names),'A.26.HB1' (nmrStar names) not linked" c16510_2ke1 3 190 5 58 1 "Not handling restraint 58, item 3, resonance(s) 'A.23.HB2' (nmrStar names),'A.49.HB1' (nmrStar names) not linked" c16510_2ke1 3 191 5 59 1 "Not handling restraint 59, item 2, resonance(s) 'A.36.HA' (nmrStar names),'A.37.HB1' (nmrStar names) not linked" c16510_2ke1 3 192 5 59 1 "Not handling restraint 59, item 3, resonance(s) 'A.36.HA' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 193 5 59 1 "Not handling restraint 59, item 4, resonance(s) 'A.36.HA' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 194 5 60 1 "Not handling restraint 60, item 2, resonance(s) 'A.38.HA' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 195 5 60 1 "Not handling restraint 60, item 3, resonance(s) 'A.38.HA' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 196 5 61 1 "Not handling restraint 61, item 2, resonance(s) 'A.37.HA' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 197 5 61 1 "Not handling restraint 61, item 3, resonance(s) 'A.37.HA' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 198 5 62 1 "Not handling restraint 62, item 2, resonance(s) 'A.38.HD1' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 199 5 62 1 "Not handling restraint 62, item 3, resonance(s) 'A.38.HD1' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 200 5 63 1 "Not handling restraint 63, item 2, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 201 5 63 1 "Not handling restraint 63, item 3, resonance(s) 'A.48.HA' (nmrStar names),'A.48.HB2' (nmrStar names) not linked" c16510_2ke1 3 202 5 64 1 "Not handling restraint 64, item 2, resonance(s) 'A.54.HG1' (nmrStar names),'A.54.HB1' (nmrStar names) not linked" c16510_2ke1 3 203 5 64 1 "Not handling restraint 64, item 3, resonance(s) 'A.54.HG1' (nmrStar names),'A.54.HB2' (nmrStar names) not linked" c16510_2ke1 3 204 5 65 1 "Not handling restraint 65, item 2, resonance(s) 'A.54.HG2' (nmrStar names),'A.54.HB1' (nmrStar names) not linked" c16510_2ke1 3 205 5 65 1 "Not handling restraint 65, item 3, resonance(s) 'A.54.HG2' (nmrStar names),'A.54.HB2' (nmrStar names) not linked" c16510_2ke1 3 206 5 66 1 "Not handling restraint 66, item 10, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG13' (nmrStar names) not linked" c16510_2ke1 3 207 5 66 1 "Not handling restraint 66, item 11, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG21' (nmrStar names) not linked" c16510_2ke1 3 208 5 66 1 "Not handling restraint 66, item 12, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG22' (nmrStar names) not linked" c16510_2ke1 3 209 5 66 1 "Not handling restraint 66, item 13, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG23' (nmrStar names) not linked" c16510_2ke1 3 210 5 66 1 "Not handling restraint 66, item 2, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG12' (nmrStar names) not linked" c16510_2ke1 3 211 5 66 1 "Not handling restraint 66, item 3, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG11' (nmrStar names) not linked" c16510_2ke1 3 212 5 66 1 "Not handling restraint 66, item 4, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG13' (nmrStar names) not linked" c16510_2ke1 3 213 5 66 1 "Not handling restraint 66, item 5, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG21' (nmrStar names) not linked" c16510_2ke1 3 214 5 66 1 "Not handling restraint 66, item 6, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG22' (nmrStar names) not linked" c16510_2ke1 3 215 5 66 1 "Not handling restraint 66, item 7, resonance(s) 'A.57.HB' (nmrStar names),'A.57.HG23' (nmrStar names) not linked" c16510_2ke1 3 216 5 66 1 "Not handling restraint 66, item 8, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG12' (nmrStar names) not linked" c16510_2ke1 3 217 5 66 1 "Not handling restraint 66, item 9, resonance(s) 'A.60.HB' (nmrStar names),'A.60.HG11' (nmrStar names) not linked" c16510_2ke1 3 218 5 67 1 "Not handling restraint 67, item 2, resonance(s) 'A.62.HB2' (nmrStar names),'A.62.HG1' (nmrStar names) not linked" c16510_2ke1 3 219 5 67 1 "Not handling restraint 67, item 3, resonance(s) 'A.62.HB2' (nmrStar names),'A.62.HG2' (nmrStar names) not linked" c16510_2ke1 3 220 5 68 1 "Not handling restraint 68, item 2, resonance(s) 'A.62.HD2' (nmrStar names),'A.62.HG2' (nmrStar names) not linked" c16510_2ke1 3 221 5 68 1 "Not handling restraint 68, item 3, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 222 5 68 1 "Not handling restraint 68, item 4, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 223 5 69 1 "Not handling restraint 69, item 2, resonance(s) 'A.26.HA' (nmrStar names),'A.27.HG1' (nmrStar names) not linked" c16510_2ke1 3 224 5 69 1 "Not handling restraint 69, item 3, resonance(s) 'A.26.HA' (nmrStar names),'A.27.HG2' (nmrStar names) not linked" c16510_2ke1 3 225 5 70 1 "Not handling restraint 70, item 2, resonance(s) 'A.6.HE2' (nmrStar names),'A.6.HD1' (nmrStar names) not linked" c16510_2ke1 3 226 5 70 1 "Not handling restraint 70, item 3, resonance(s) 'A.6.HE1' (nmrStar names),'A.6.HD1' (nmrStar names) not linked" c16510_2ke1 3 227 5 70 1 "Not handling restraint 70, item 4, resonance(s) 'A.6.HE2' (nmrStar names),'A.6.HD2' (nmrStar names) not linked" c16510_2ke1 3 228 5 70 1 "Not handling restraint 70, item 5, resonance(s) 'A.6.HE1' (nmrStar names),'A.6.HD2' (nmrStar names) not linked" c16510_2ke1 3 229 5 71 1 "Not handling restraint 71, item 2, resonance(s) 'A.18.HA1' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 230 5 71 1 "Not handling restraint 71, item 3, resonance(s) 'A.18.HA1' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 231 5 72 1 "Not handling restraint 72, item 2, resonance(s) 'A.62.HA' (nmrStar names),'A.62.HG2' (nmrStar names) not linked" c16510_2ke1 3 232 5 72 1 "Not handling restraint 72, item 3, resonance(s) 'A.62.HA' (nmrStar names),'A.62.HG1' (nmrStar names) not linked" c16510_2ke1 3 233 5 73 1 "Not handling restraint 73, item 2, resonance(s) 'A.15.HB2' (nmrStar names),'A.15.HD1' (nmrStar names) not linked" c16510_2ke1 3 234 5 73 1 "Not handling restraint 73, item 3, resonance(s) 'A.15.HB2' (nmrStar names),'A.15.HD2' (nmrStar names) not linked" c16510_2ke1 3 235 5 74 1 "Not handling restraint 74, item 2, resonance(s) 'A.15.HB1' (nmrStar names),'A.15.HD2' (nmrStar names) not linked" c16510_2ke1 3 236 5 74 1 "Not handling restraint 74, item 3, resonance(s) 'A.15.HB1' (nmrStar names),'A.15.HD1' (nmrStar names) not linked" c16510_2ke1 3 237 5 75 1 "Not handling restraint 75, item 2, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HA' (nmrStar names) not linked" c16510_2ke1 3 238 5 75 1 "Not handling restraint 75, item 3, resonance(s) 'A.7.HA' (nmrStar names),'A.27.HB2' (nmrStar names) not linked" c16510_2ke1 3 239 5 76 1 "Not handling restraint 76, item 2, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HB2' (nmrStar names) not linked" c16510_2ke1 3 240 5 76 1 "Not handling restraint 76, item 3, resonance(s) 'A.10.HA' (nmrStar names),'A.10.HB1' (nmrStar names) not linked" c16510_2ke1 3 241 5 77 1 "Not handling restraint 77, item 2, resonance(s) 'A.39.HG' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 3 242 5 77 1 "Not handling restraint 77, item 3, resonance(s) 'A.39.HG' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 243 5 78 1 "Not handling restraint 78, item 2, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 3 244 5 78 1 "Not handling restraint 78, item 3, resonance(s) 'A.39.HA' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 245 5 79 1 "Not handling restraint 79, item 2, resonance(s) 'A.38.HD1' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 246 5 79 1 "Not handling restraint 79, item 3, resonance(s) 'A.38.HD1' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 247 5 79 1 "Not handling restraint 79, item 4, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HG2' (nmrStar names) not linked" c16510_2ke1 3 248 5 79 1 "Not handling restraint 79, item 5, resonance(s) 'A.38.HD2' (nmrStar names),'A.38.HG1' (nmrStar names) not linked" c16510_2ke1 3 249 5 80 1 "Not handling restraint 80, item 2, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HD1' (nmrStar names) not linked" c16510_2ke1 3 250 5 80 1 "Not handling restraint 80, item 3, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HD2' (nmrStar names) not linked" c16510_2ke1 3 251 5 81 1 "Not handling restraint 81, item 2, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HG1' (nmrStar names) not linked" c16510_2ke1 3 252 5 81 1 "Not handling restraint 81, item 3, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB1' (nmrStar names) not linked" c16510_2ke1 3 253 5 82 1 "Not handling restraint 82, item 2, resonance(s) 'A.20.HB1' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 254 5 82 1 "Not handling restraint 82, item 3, resonance(s) 'A.29.HB2' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 255 5 82 1 "Not handling restraint 82, item 4, resonance(s) 'A.29.HB3' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 256 5 82 1 "Not handling restraint 82, item 5, resonance(s) 'A.29.HB1' (nmrStar names),'A.20.HB2' (nmrStar names) not linked" c16510_2ke1 3 257 5 83 1 "Not handling restraint 83, item 2, resonance(s) 'A.21.HD11' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 3 258 5 83 1 "Not handling restraint 83, item 3, resonance(s) 'A.21.HD12' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 3 259 5 83 1 "Not handling restraint 83, item 4, resonance(s) 'A.21.HD13' (nmrStar names),'A.21.HB' (nmrStar names) not linked" c16510_2ke1 3 260 5 83 1 "Not handling restraint 83, item 5, resonance(s) 'A.21.HD11' (nmrStar names),'A.21.HG11' (nmrStar names) not linked" c16510_2ke1 3 261 5 83 1 "Not handling restraint 83, item 6, resonance(s) 'A.21.HG11' (nmrStar names),'A.21.HD12' (nmrStar names) not linked" c16510_2ke1 3 262 5 83 1 "Not handling restraint 83, item 7, resonance(s) 'A.21.HG11' (nmrStar names),'A.21.HD13' (nmrStar names) not linked" c16510_2ke1 3 263 5 84 1 "Not handling restraint 84, item 2, resonance(s) 'A.42.HA' (nmrStar names),'A.42.HG11' (nmrStar names) not linked" c16510_2ke1 3 264 5 84 1 "Not handling restraint 84, item 3, resonance(s) 'A.32.HA' (nmrStar names),'A.32.HB1' (nmrStar names) not linked" c16510_2ke1 3 265 5 85 1 "Not handling restraint 85, item 2, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 3 266 5 85 1 "Not handling restraint 85, item 3, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 3 267 5 85 1 "Not handling restraint 85, item 4, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HG' (nmrStar names) not linked" c16510_2ke1 3 268 5 85 1 "Not handling restraint 85, item 5, resonance(s) 'A.35.HD13' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 3 269 5 85 1 "Not handling restraint 85, item 6, resonance(s) 'A.35.HD11' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 3 270 5 85 1 "Not handling restraint 85, item 7, resonance(s) 'A.35.HD12' (nmrStar names),'A.35.HB2' (nmrStar names) not linked" c16510_2ke1 3 271 5 86 1 "Not handling restraint 86, item 2, resonance(s) 'A.40.HA' (nmrStar names),'A.40.HG1' (nmrStar names) not linked" c16510_2ke1 3 272 5 86 1 "Not handling restraint 86, item 3, resonance(s) 'A.63.HA' (nmrStar names),'A.63.HG2' (nmrStar names) not linked" c16510_2ke1 3 273 5 86 1 "Not handling restraint 86, item 4, resonance(s) 'A.63.HA' (nmrStar names),'A.63.HG1' (nmrStar names) not linked" c16510_2ke1 3 274 5 87 1 "Not handling restraint 87, item 2, resonance(s) 'A.43.HB1' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 3 275 5 87 1 "Not handling restraint 87, item 3, resonance(s) 'A.43.HG1' (nmrStar names),'A.43.HA' (nmrStar names) not linked" c16510_2ke1 3 276 5 88 1 "Not handling restraint 88, item 2, resonance(s) 'A.43.HD1' (nmrStar names),'A.43.HG2' (nmrStar names) not linked" c16510_2ke1 3 277 5 88 1 "Not handling restraint 88, item 3, resonance(s) 'A.43.HD1' (nmrStar names),'A.43.HG1' (nmrStar names) not linked" c16510_2ke1 3 278 5 89 1 "Not handling restraint 89, item 2, resonance(s) 'A.51.HB1' (nmrStar names),'A.51.HA' (nmrStar names) not linked" c16510_2ke1 3 279 5 89 1 "Not handling restraint 89, item 3, resonance(s) 'A.51.HA' (nmrStar names),'A.51.HB2' (nmrStar names) not linked" c16510_2ke1 3 280 5 90 1 "Not handling restraint 90, item 2, resonance(s) 'A.53.HD13' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 281 5 90 1 "Not handling restraint 90, item 3, resonance(s) 'A.53.HD11' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 282 5 90 1 "Not handling restraint 90, item 4, resonance(s) 'A.53.HD12' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 283 5 90 1 "Not handling restraint 90, item 5, resonance(s) 'A.53.HD21' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 284 5 90 1 "Not handling restraint 90, item 6, resonance(s) 'A.53.HD23' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 285 5 90 1 "Not handling restraint 90, item 7, resonance(s) 'A.53.HD22' (nmrStar names),'A.53.HB2' (nmrStar names) not linked" c16510_2ke1 3 286 5 91 1 "Not handling restraint 91, item 2, resonance(s) 'A.33.HA' (nmrStar names),'A.38.HB2' (nmrStar names) not linked" c16510_2ke1 3 287 5 91 1 "Not handling restraint 91, item 3, resonance(s) 'A.38.HB2' (nmrStar names),'A.38.HA' (nmrStar names) not linked" c16510_2ke1 3 288 5 92 1 "Not handling restraint 92, item 2, resonance(s) 'A.38.HB2' (nmrStar names),'A.38.HD2' (nmrStar names) not linked" c16510_2ke1 3 289 5 92 1 "Not handling restraint 92, item 3, resonance(s) 'A.62.HB2' (nmrStar names),'A.62.HD2' (nmrStar names) not linked" c16510_2ke1 3 290 5 93 1 "Not handling restraint 93, item 2, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 3 291 5 93 1 "Not handling restraint 93, item 3, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HA' (nmrStar names) not linked" c16510_2ke1 3 292 5 94 1 "Not handling restraint 94, item 10, resonance(s) 'A.30.HE1' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 3 293 5 94 1 "Not handling restraint 94, item 11, resonance(s) 'A.30.HE2' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 3 294 5 94 1 "Not handling restraint 94, item 12, resonance(s) 'A.30.HE2' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 3 295 5 94 1 "Not handling restraint 94, item 13, resonance(s) 'A.30.HE2' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 3 296 5 94 1 "Not handling restraint 94, item 2, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 3 297 5 94 1 "Not handling restraint 94, item 3, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 3 298 5 94 1 "Not handling restraint 94, item 4, resonance(s) 'A.30.HD1' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 3 299 5 94 1 "Not handling restraint 94, item 5, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 3 300 5 94 1 "Not handling restraint 94, item 6, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 3 301 5 94 1 "Not handling restraint 94, item 7, resonance(s) 'A.30.HD2' (nmrStar names),'A.13.HG13' (nmrStar names) not linked" c16510_2ke1 3 302 5 94 1 "Not handling restraint 94, item 8, resonance(s) 'A.30.HE1' (nmrStar names),'A.13.HG12' (nmrStar names) not linked" c16510_2ke1 3 303 5 94 1 "Not handling restraint 94, item 9, resonance(s) 'A.30.HE1' (nmrStar names),'A.13.HG11' (nmrStar names) not linked" c16510_2ke1 3 304 5 95 1 "Not handling restraint 95, item 2, resonance(s) 'A.15.HG2' (nmrStar names),'A.15.HN' (nmrStar names) not linked" c16510_2ke1 3 305 5 95 1 "Not handling restraint 95, item 3, resonance(s) 'A.53.HG' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 306 5 96 1 "Not handling restraint 96, item 2, resonance(s) 'A.6.HB1' (nmrStar names),'A.6.HE2' (nmrStar names) not linked" c16510_2ke1 3 307 5 96 1 "Not handling restraint 96, item 3, resonance(s) 'A.6.HB1' (nmrStar names),'A.6.HE1' (nmrStar names) not linked" c16510_2ke1 3 308 5 97 1 "Not handling restraint 97, item 2, resonance(s) 'A.30.HE1' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 3 309 5 97 1 "Not handling restraint 97, item 3, resonance(s) 'A.30.HE2' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 3 310 5 97 1 "Not handling restraint 97, item 4, resonance(s) 'A.30.HD1' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 3 311 5 97 1 "Not handling restraint 97, item 5, resonance(s) 'A.30.HD2' (nmrStar names),'A.22.HA' (nmrStar names) not linked" c16510_2ke1 3 312 5 98 1 "Not handling restraint 98, item 2, resonance(s) 'A.29.HB2' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 3 313 5 98 1 "Not handling restraint 98, item 3, resonance(s) 'A.29.HB3' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 3 314 5 98 1 "Not handling restraint 98, item 4, resonance(s) 'A.29.HB1' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" c16510_2ke1 3 315 5 98 1 "Not handling restraint 98, item 5, resonance(s) 'A.29.HB2' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 3 316 5 98 1 "Not handling restraint 98, item 6, resonance(s) 'A.29.HB3' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 3 317 5 98 1 "Not handling restraint 98, item 7, resonance(s) 'A.29.HB1' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 3 318 5 99 1 "Not handling restraint 99, item 2, resonance(s) 'A.32.HD13' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 3 319 5 99 1 "Not handling restraint 99, item 3, resonance(s) 'A.32.HD11' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 3 320 5 99 1 "Not handling restraint 99, item 4, resonance(s) 'A.32.HD12' (nmrStar names),'A.42.HN' (nmrStar names) not linked" c16510_2ke1 3 321 5 99 1 "Not handling restraint 99, item 5, resonance(s) 'A.32.HD13' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 3 322 5 99 1 "Not handling restraint 99, item 6, resonance(s) 'A.32.HD11' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 3 323 5 99 1 "Not handling restraint 99, item 7, resonance(s) 'A.32.HD12' (nmrStar names),'A.40.HN' (nmrStar names) not linked" c16510_2ke1 3 324 5 100 1 "Not handling restraint 100, item 2, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HB2' (nmrStar names) not linked" c16510_2ke1 3 325 5 100 1 "Not handling restraint 100, item 3, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HB3' (nmrStar names) not linked" c16510_2ke1 3 326 5 100 1 "Not handling restraint 100, item 4, resonance(s) 'A.31.HB1' (nmrStar names),'A.33.HB1' (nmrStar names) not linked" c16510_2ke1 3 327 5 100 1 "Not handling restraint 100, item 5, resonance(s) 'A.33.HB2' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 3 328 5 100 1 "Not handling restraint 100, item 6, resonance(s) 'A.33.HB3' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 3 329 5 100 1 "Not handling restraint 100, item 7, resonance(s) 'A.33.HB1' (nmrStar names),'A.31.HB2' (nmrStar names) not linked" c16510_2ke1 3 330 5 101 1 "Not handling restraint 101, item 2, resonance(s) 'A.39.HB1' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 3 331 5 101 1 "Not handling restraint 101, item 3, resonance(s) 'A.39.HB1' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 3 332 5 102 1 "Not handling restraint 102, item 2, resonance(s) 'A.39.HD13' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 3 333 5 102 1 "Not handling restraint 102, item 3, resonance(s) 'A.39.HD11' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 3 334 5 102 1 "Not handling restraint 102, item 4, resonance(s) 'A.39.HD12' (nmrStar names),'A.41.HN' (nmrStar names) not linked" c16510_2ke1 3 335 5 102 1 "Not handling restraint 102, item 5, resonance(s) 'A.39.HD13' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 3 336 5 102 1 "Not handling restraint 102, item 6, resonance(s) 'A.39.HD11' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 3 337 5 102 1 "Not handling restraint 102, item 7, resonance(s) 'A.39.HD12' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 3 338 5 103 1 "Not handling restraint 103, item 2, resonance(s) 'A.21.HB' (nmrStar names),'A.42.HG22' (nmrStar names) not linked" c16510_2ke1 3 339 5 103 1 "Not handling restraint 103, item 3, resonance(s) 'A.21.HB' (nmrStar names),'A.42.HG23' (nmrStar names) not linked" c16510_2ke1 3 340 5 103 1 "Not handling restraint 103, item 4, resonance(s) 'A.21.HB' (nmrStar names),'A.42.HG21' (nmrStar names) not linked" c16510_2ke1 3 341 5 103 1 "Not handling restraint 103, item 5, resonance(s) 'A.21.HG11' (nmrStar names),'A.42.HG22' (nmrStar names) not linked" c16510_2ke1 3 342 5 103 1 "Not handling restraint 103, item 6, resonance(s) 'A.21.HG11' (nmrStar names),'A.42.HG23' (nmrStar names) not linked" c16510_2ke1 3 343 5 103 1 "Not handling restraint 103, item 7, resonance(s) 'A.21.HG11' (nmrStar names),'A.42.HG21' (nmrStar names) not linked" c16510_2ke1 3 344 5 104 1 "Not handling restraint 104, item 2, resonance(s) 'A.43.HD1' (nmrStar names),'A.39.HB2' (nmrStar names) not linked" c16510_2ke1 3 345 5 104 1 "Not handling restraint 104, item 3, resonance(s) 'A.43.HD1' (nmrStar names),'A.39.HB1' (nmrStar names) not linked" c16510_2ke1 3 346 5 105 1 "Not handling restraint 105, item 2, resonance(s) 'A.44.HN' (nmrStar names),'A.44.HA' (nmrStar names) not linked" c16510_2ke1 3 347 5 105 1 "Not handling restraint 105, item 3, resonance(s) 'A.45.HN' (nmrStar names),'A.44.HA' (nmrStar names) not linked" c16510_2ke1 3 348 5 106 1 "Not handling restraint 106, item 2, resonance(s) 'A.48.HG1' (nmrStar names),'A.48.HD2' (nmrStar names) not linked" c16510_2ke1 3 349 5 106 1 "Not handling restraint 106, item 3, resonance(s) 'A.48.HD1' (nmrStar names),'A.48.HG1' (nmrStar names) not linked" c16510_2ke1 3 350 5 107 1 "Not handling restraint 107, item 2, resonance(s) 'A.52.HB2' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 351 5 107 1 "Not handling restraint 107, item 3, resonance(s) 'A.48.HB2' (nmrStar names),'A.52.HB2' (nmrStar names) not linked" c16510_2ke1 3 352 5 108 1 "Not handling restraint 108, item 2, resonance(s) 'A.54.HA' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 353 5 108 1 "Not handling restraint 108, item 3, resonance(s) 'A.54.HA' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 3 354 5 109 1 "Not handling restraint 109, item 2, resonance(s) 'A.58.HN' (nmrStar names),'A.58.HG2' (nmrStar names) not linked" c16510_2ke1 3 355 5 109 1 "Not handling restraint 109, item 3, resonance(s) 'A.58.HN' (nmrStar names),'A.58.HG1' (nmrStar names) not linked" c16510_2ke1 3 356 5 110 1 "Not handling restraint 110, item 2, resonance(s) 'A.18.HA2' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 357 5 110 1 "Not handling restraint 110, item 3, resonance(s) 'A.18.HA2' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 358 5 111 1 "Not handling restraint 111, item 2, resonance(s) 'A.7.HB2' (nmrStar names),'B.70.HG1' (nmrStar names) not linked" c16510_2ke1 3 359 5 111 1 "Not handling restraint 111, item 3, resonance(s) 'A.7.HB2' (nmrStar names),'B.70.HB1' (nmrStar names) not linked" c16510_2ke1 3 360 5 112 1 "Not handling restraint 112, item 2, resonance(s) 'A.23.HN' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 3 361 5 112 1 "Not handling restraint 112, item 3, resonance(s) 'A.23.HN' (nmrStar names),'A.22.HB2' (nmrStar names) not linked" c16510_2ke1 3 362 5 113 1 "Not handling restraint 113, item 2, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HB2' (nmrStar names) not linked" c16510_2ke1 3 363 5 113 1 "Not handling restraint 113, item 3, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HG2' (nmrStar names) not linked" c16510_2ke1 3 364 5 113 1 "Not handling restraint 113, item 4, resonance(s) 'A.19.HN' (nmrStar names),'A.19.HG1' (nmrStar names) not linked" c16510_2ke1 3 365 5 114 1 "Not handling restraint 114, item 2, resonance(s) 'A.48.HB2' (nmrStar names),'A.49.HN' (nmrStar names) not linked" c16510_2ke1 3 366 5 114 1 "Not handling restraint 114, item 3, resonance(s) 'A.49.HN' (nmrStar names),'A.48.HG2' (nmrStar names) not linked" c16510_2ke1 3 367 5 115 1 "Not handling restraint 115, item 2, resonance(s) 'A.8.HB1' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 3 368 5 115 1 "Not handling restraint 115, item 3, resonance(s) 'A.8.HB2' (nmrStar names),'A.8.HN' (nmrStar names) not linked" c16510_2ke1 3 369 5 116 1 "Not handling restraint 116, item 2, resonance(s) 'A.13.HA' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 3 370 5 116 1 "Not handling restraint 116, item 3, resonance(s) 'A.12.HA' (nmrStar names),'A.13.HN' (nmrStar names) not linked" c16510_2ke1 3 371 5 117 1 "Not handling restraint 117, item 2, resonance(s) 'A.40.HN' (nmrStar names),'A.40.HB1' (nmrStar names) not linked" c16510_2ke1 3 372 5 117 1 "Not handling restraint 117, item 3, resonance(s) 'A.40.HN' (nmrStar names),'A.40.HB2' (nmrStar names) not linked" c16510_2ke1 3 373 5 118 1 "Not handling restraint 118, item 2, resonance(s) 'A.40.HN' (nmrStar names),'A.40.HG2' (nmrStar names) not linked" c16510_2ke1 3 374 5 118 1 "Not handling restraint 118, item 3, resonance(s) 'A.40.HN' (nmrStar names),'A.40.HG1' (nmrStar names) not linked" c16510_2ke1 3 375 5 119 1 "Not handling restraint 119, item 2, resonance(s) 'A.44.HN' (nmrStar names),'A.44.HB1' (nmrStar names) not linked" c16510_2ke1 3 376 5 119 1 "Not handling restraint 119, item 3, resonance(s) 'A.44.HN' (nmrStar names),'A.44.HB2' (nmrStar names) not linked" c16510_2ke1 3 377 5 120 1 "Not handling restraint 120, item 2, resonance(s) 'A.45.HN' (nmrStar names),'A.44.HB1' (nmrStar names) not linked" c16510_2ke1 3 378 5 120 1 "Not handling restraint 120, item 3, resonance(s) 'A.45.HN' (nmrStar names),'A.44.HB2' (nmrStar names) not linked" c16510_2ke1 3 379 5 121 1 "Not handling restraint 121, item 2, resonance(s) 'A.45.HN' (nmrStar names),'A.45.HA1' (nmrStar names) not linked" c16510_2ke1 3 380 5 121 1 "Not handling restraint 121, item 3, resonance(s) 'A.45.HN' (nmrStar names),'A.45.HA2' (nmrStar names) not linked" c16510_2ke1 3 381 5 122 1 "Not handling restraint 122, item 2, resonance(s) 'A.22.HN' (nmrStar names),'A.22.HB1' (nmrStar names) not linked" c16510_2ke1 3 382 5 122 1 "Not handling restraint 122, item 3, resonance(s) 'A.22.HN' (nmrStar names),'A.22.HB2' (nmrStar names) not linked" c16510_2ke1 3 383 5 123 1 "Not handling restraint 123, item 2, resonance(s) 'A.57.HN' (nmrStar names),'A.57.HG21' (nmrStar names) not linked" c16510_2ke1 3 384 5 123 1 "Not handling restraint 123, item 3, resonance(s) 'A.57.HN' (nmrStar names),'A.57.HG22' (nmrStar names) not linked" c16510_2ke1 3 385 5 123 1 "Not handling restraint 123, item 4, resonance(s) 'A.57.HN' (nmrStar names),'A.57.HG23' (nmrStar names) not linked" c16510_2ke1 3 386 5 123 1 "Not handling restraint 123, item 5, resonance(s) 'A.57.HN' (nmrStar names),'A.57.HG12' (nmrStar names) not linked" c16510_2ke1 3 387 5 123 1 "Not handling restraint 123, item 6, resonance(s) 'A.57.HN' (nmrStar names),'A.57.HG11' (nmrStar names) not linked" c16510_2ke1 3 388 5 123 1 "Not handling restraint 123, item 7, resonance(s) 'A.57.HN' (nmrStar names),'A.57.HG13' (nmrStar names) not linked" c16510_2ke1 3 389 5 124 1 "Not handling restraint 124, item 2, resonance(s) 'A.35.HG' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 3 390 5 124 1 "Not handling restraint 124, item 3, resonance(s) 'A.35.HB2' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 3 391 5 125 1 "Not handling restraint 125, item 2, resonance(s) 'A.38.HA' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 3 392 5 125 1 "Not handling restraint 125, item 3, resonance(s) 'A.33.HA' (nmrStar names),'A.35.HN' (nmrStar names) not linked" c16510_2ke1 3 393 5 126 1 "Not handling restraint 126, item 2, resonance(s) 'A.53.HD21' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 394 5 126 1 "Not handling restraint 126, item 3, resonance(s) 'A.53.HD23' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 395 5 126 1 "Not handling restraint 126, item 4, resonance(s) 'A.53.HD22' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 396 5 126 1 "Not handling restraint 126, item 5, resonance(s) 'A.53.HD13' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 397 5 126 1 "Not handling restraint 126, item 6, resonance(s) 'A.53.HD11' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 398 5 126 1 "Not handling restraint 126, item 7, resonance(s) 'A.53.HD12' (nmrStar names),'A.53.HN' (nmrStar names) not linked" c16510_2ke1 3 399 5 127 1 "Not handling restraint 127, item 2, resonance(s) 'A.54.HG2' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 400 5 127 1 "Not handling restraint 127, item 3, resonance(s) 'A.54.HG1' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 401 5 128 1 "Not handling restraint 128, item 2, resonance(s) 'A.54.HN' (nmrStar names),'A.54.HB1' (nmrStar names) not linked" c16510_2ke1 3 402 5 128 1 "Not handling restraint 128, item 3, resonance(s) 'A.54.HB2' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 403 5 129 1 "Not handling restraint 129, item 2, resonance(s) 'A.14.HB2' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 3 404 5 129 1 "Not handling restraint 129, item 3, resonance(s) 'A.11.HB2' (nmrStar names),'A.14.HN' (nmrStar names) not linked" c16510_2ke1 3 405 5 130 1 "Not handling restraint 130, item 2, resonance(s) 'A.15.HN' (nmrStar names),'A.15.HD1' (nmrStar names) not linked" c16510_2ke1 3 406 5 130 1 "Not handling restraint 130, item 3, resonance(s) 'A.15.HN' (nmrStar names),'A.15.HD2' (nmrStar names) not linked" c16510_2ke1 3 407 5 131 1 "Not handling restraint 131, item 2, resonance(s) 'A.8.HB1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 3 408 5 131 1 "Not handling restraint 131, item 3, resonance(s) 'A.8.HB2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 3 409 5 132 1 "Not handling restraint 132, item 2, resonance(s) 'A.10.HB1' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 3 410 5 132 1 "Not handling restraint 132, item 3, resonance(s) 'A.10.HB2' (nmrStar names),'A.10.HN' (nmrStar names) not linked" c16510_2ke1 3 411 5 133 1 "Not handling restraint 133, item 2, resonance(s) 'A.33.HA' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 3 412 5 133 1 "Not handling restraint 133, item 3, resonance(s) 'A.34.HA' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 3 413 5 134 1 "Not handling restraint 134, item 2, resonance(s) 'A.31.HB1' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 3 414 5 134 1 "Not handling restraint 134, item 3, resonance(s) 'A.31.HB2' (nmrStar names),'A.34.HN' (nmrStar names) not linked" c16510_2ke1 3 415 5 135 1 "Not handling restraint 135, item 2, resonance(s) 'A.41.HN' (nmrStar names),'A.41.HG2' (nmrStar names) not linked" c16510_2ke1 3 416 5 135 1 "Not handling restraint 135, item 3, resonance(s) 'A.41.HN' (nmrStar names),'A.41.HG1' (nmrStar names) not linked" c16510_2ke1 3 417 5 136 1 "Not handling restraint 136, item 2, resonance(s) 'A.41.HN' (nmrStar names),'A.40.HG1' (nmrStar names) not linked" c16510_2ke1 3 418 5 136 1 "Not handling restraint 136, item 3, resonance(s) 'A.41.HN' (nmrStar names),'A.40.HG2' (nmrStar names) not linked" c16510_2ke1 3 419 5 137 1 "Not handling restraint 137, item 2, resonance(s) 'A.56.HA' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 3 420 5 137 1 "Not handling restraint 137, item 3, resonance(s) 'A.55.HA' (nmrStar names),'A.56.HN' (nmrStar names) not linked" c16510_2ke1 3 421 5 138 1 "Not handling restraint 138, item 2, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HE21' (nmrStar names) not linked" c16510_2ke1 3 422 5 138 1 "Not handling restraint 138, item 3, resonance(s) 'A.5.HE21' (nmrStar names),'A.5.HG1' (nmrStar names) not linked" c16510_2ke1 3 423 5 139 1 "Not handling restraint 139, item 2, resonance(s) 'A.4.HN' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" c16510_2ke1 3 424 5 139 1 "Not handling restraint 139, item 3, resonance(s) 'A.3.HB2' (nmrStar names),'A.4.HN' (nmrStar names) not linked" c16510_2ke1 3 425 5 140 1 "Not handling restraint 140, item 2, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 3 426 5 140 1 "Not handling restraint 140, item 3, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 3 427 5 141 1 "Not handling restraint 141, item 2, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 3 428 5 141 1 "Not handling restraint 141, item 3, resonance(s) 'A.5.HG1' (nmrStar names),'A.5.HN' (nmrStar names) not linked" c16510_2ke1 3 429 5 142 1 "Not handling restraint 142, item 2, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HB1' (nmrStar names) not linked" c16510_2ke1 3 430 5 142 1 "Not handling restraint 142, item 3, resonance(s) 'A.6.HN' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" c16510_2ke1 3 431 5 143 1 "Not handling restraint 143, item 2, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HG2' (nmrStar names) not linked" c16510_2ke1 3 432 5 143 1 "Not handling restraint 143, item 3, resonance(s) 'A.6.HN' (nmrStar names),'A.6.HG1' (nmrStar names) not linked" c16510_2ke1 3 433 5 144 1 "Not handling restraint 144, item 2, resonance(s) 'A.51.HB1' (nmrStar names),'A.51.HN' (nmrStar names) not linked" c16510_2ke1 3 434 5 144 1 "Not handling restraint 144, item 3, resonance(s) 'A.51.HB2' (nmrStar names),'A.51.HN' (nmrStar names) not linked" c16510_2ke1 3 435 5 145 1 "Not handling restraint 145, item 2, resonance(s) 'A.8.HB1' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 3 436 5 145 1 "Not handling restraint 145, item 3, resonance(s) 'A.8.HB2' (nmrStar names),'A.9.HN' (nmrStar names) not linked" c16510_2ke1 3 437 5 146 1 "Not handling restraint 146, item 2, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" c16510_2ke1 3 438 5 146 1 "Not handling restraint 146, item 3, resonance(s) 'A.3.HB2' (nmrStar names),'A.3.HN' (nmrStar names) not linked" c16510_2ke1 3 439 5 147 1 "Not handling restraint 147, item 2, resonance(s) 'A.38.HB1' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 3 440 5 147 1 "Not handling restraint 147, item 3, resonance(s) 'A.32.HB2' (nmrStar names),'A.39.HN' (nmrStar names) not linked" c16510_2ke1 3 441 5 148 1 "Not handling restraint 148, item 2, resonance(s) 'A.50.HA' (nmrStar names),'A.50.HN' (nmrStar names) not linked" c16510_2ke1 3 442 5 148 1 "Not handling restraint 148, item 3, resonance(s) 'A.50.HN' (nmrStar names),'A.50.HB1' (nmrStar names) not linked" c16510_2ke1 3 443 5 149 1 "Not handling restraint 149, item 2, resonance(s) 'A.53.HD13' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 444 5 149 1 "Not handling restraint 149, item 3, resonance(s) 'A.53.HD11' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 445 5 149 1 "Not handling restraint 149, item 4, resonance(s) 'A.53.HD12' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 446 5 149 1 "Not handling restraint 149, item 5, resonance(s) 'A.53.HD21' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 447 5 149 1 "Not handling restraint 149, item 6, resonance(s) 'A.53.HD23' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 448 5 149 1 "Not handling restraint 149, item 7, resonance(s) 'A.53.HD22' (nmrStar names),'A.54.HN' (nmrStar names) not linked" c16510_2ke1 3 449 5 150 1 "Not handling restraint 150, item 2, resonance(s) 'A.54.HG1' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 3 450 5 150 1 "Not handling restraint 150, item 3, resonance(s) 'A.54.HG2' (nmrStar names),'A.55.HN' (nmrStar names) not linked" c16510_2ke1 3 451 5 151 1 "Not handling restraint 151, item 2, resonance(s) 'A.58.HN' (nmrStar names),'A.57.HG12' (nmrStar names) not linked" c16510_2ke1 3 452 5 151 1 "Not handling restraint 151, item 3, resonance(s) 'A.58.HN' (nmrStar names),'A.57.HG11' (nmrStar names) not linked" c16510_2ke1 3 453 5 151 1 "Not handling restraint 151, item 4, resonance(s) 'A.58.HN' (nmrStar names),'A.57.HG13' (nmrStar names) not linked" c16510_2ke1 3 454 5 151 1 "Not handling restraint 151, item 5, resonance(s) 'A.58.HN' (nmrStar names),'A.57.HG21' (nmrStar names) not linked" c16510_2ke1 3 455 5 151 1 "Not handling restraint 151, item 6, resonance(s) 'A.58.HN' (nmrStar names),'A.57.HG22' (nmrStar names) not linked" c16510_2ke1 3 456 5 151 1 "Not handling restraint 151, item 7, resonance(s) 'A.58.HN' (nmrStar names),'A.57.HG23' (nmrStar names) not linked" c16510_2ke1 3 457 5 152 1 "Not handling restraint 152, item 2, resonance(s) 'A.58.HN' (nmrStar names),'A.58.HB1' (nmrStar names) not linked" c16510_2ke1 3 458 5 152 1 "Not handling restraint 152, item 3, resonance(s) 'A.58.HN' (nmrStar names),'A.58.HB2' (nmrStar names) not linked" c16510_2ke1 3 459 5 153 1 "Not handling restraint 153, item 2, resonance(s) 'A.59.HB2' (nmrStar names),'A.59.HN' (nmrStar names) not linked" c16510_2ke1 3 460 5 153 1 "Not handling restraint 153, item 3, resonance(s) 'A.59.HG2' (nmrStar names),'A.59.HN' (nmrStar names) not linked" c16510_2ke1 3 461 5 154 1 "Not handling restraint 154, item 2, resonance(s) 'A.60.HN' (nmrStar names),'A.60.HG21' (nmrStar names) not linked" c16510_2ke1 3 462 5 154 1 "Not handling restraint 154, item 3, resonance(s) 'A.60.HN' (nmrStar names),'A.60.HG22' (nmrStar names) not linked" c16510_2ke1 3 463 5 154 1 "Not handling restraint 154, item 4, resonance(s) 'A.60.HN' (nmrStar names),'A.60.HG23' (nmrStar names) not linked" c16510_2ke1 3 464 5 154 1 "Not handling restraint 154, item 5, resonance(s) 'A.60.HG12' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 3 465 5 154 1 "Not handling restraint 154, item 6, resonance(s) 'A.60.HG11' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 3 466 5 154 1 "Not handling restraint 154, item 7, resonance(s) 'A.60.HG13' (nmrStar names),'A.60.HN' (nmrStar names) not linked" c16510_2ke1 3 467 5 155 1 "Not handling restraint 155, item 2, resonance(s) 'A.61.HB2' (nmrStar names),'A.61.HN' (nmrStar names) not linked" c16510_2ke1 3 468 5 155 1 "Not handling restraint 155, item 3, resonance(s) 'A.60.HB' (nmrStar names),'A.61.HN' (nmrStar names) not linked" c16510_2ke1 3 469 5 156 1 "Not handling restraint 156, item 2, resonance(s) 'A.63.HN' (nmrStar names),'A.63.HB1' (nmrStar names) not linked" c16510_2ke1 3 470 5 156 1 "Not handling restraint 156, item 3, resonance(s) 'A.63.HN' (nmrStar names),'A.63.HB2' (nmrStar names) not linked" c16510_2ke1 3 471 5 157 1 "Not handling restraint 157, item 2, resonance(s) 'A.65.HN' (nmrStar names),'A.65.HB1' (nmrStar names) not linked" c16510_2ke1 3 472 5 157 1 "Not handling restraint 157, item 3, resonance(s) 'A.65.HN' (nmrStar names),'A.65.HB2' (nmrStar names) not linked" c16510_2ke1 3 473 5 158 1 "Not handling restraint 158, item 2, resonance(s) 'A.65.HN' (nmrStar names),'A.65.HG2' (nmrStar names) not linked" c16510_2ke1 3 474 5 158 1 "Not handling restraint 158, item 3, resonance(s) 'A.65.HN' (nmrStar names),'A.65.HG1' (nmrStar names) not linked" c16510_2ke1 3 475 5 159 1 "Not handling restraint 159, item 2, resonance(s) 'A.63.HN' (nmrStar names),'A.62.HG2' (nmrStar names) not linked" c16510_2ke1 3 476 5 159 1 "Not handling restraint 159, item 3, resonance(s) 'A.63.HN' (nmrStar names),'A.62.HG1' (nmrStar names) not linked" c16510_2ke1 3 477 5 160 1 "Not handling restraint 160, item 2, resonance(s) 'A.5.HG2' (nmrStar names),'A.5.HE22' (nmrStar names) not linked" c16510_2ke1 3 478 5 160 1 "Not handling restraint 160, item 3, resonance(s) 'A.5.HE22' (nmrStar names),'A.5.HG1' (nmrStar names) not linked" c16510_2ke1 3 479 5 161 1 "Not handling restraint 161, item 2, resonance(s) 'A.54.HG2' (nmrStar names),'A.54.HE21' (nmrStar names) not linked" c16510_2ke1 3 480 5 161 1 "Not handling restraint 161, item 3, resonance(s) 'A.54.HG1' (nmrStar names),'A.54.HE21' (nmrStar names) not linked" c16510_2ke1 3 481 5 162 1 "Not handling restraint 162, item 2, resonance(s) 'A.41.HN' (nmrStar names),'A.40.HB1' (nmrStar names) not linked" c16510_2ke1 3 482 5 162 1 "Not handling restraint 162, item 3, resonance(s) 'A.41.HN' (nmrStar names),'A.40.HB2' (nmrStar names) not linked" c16510_2ke1 3 483 5 163 1 "Not handling restraint 163, item 2, resonance(s) 'A.51.HB2' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 3 484 5 163 1 "Not handling restraint 163, item 3, resonance(s) 'A.51.HB1' (nmrStar names),'A.52.HN' (nmrStar names) not linked" c16510_2ke1 3 485 5 164 1 "Not handling restraint 164, item 2, resonance(s) 'B.76.HN' (nmrStar names),'B.76.HB2' (nmrStar names) not linked" c16510_2ke1 3 486 5 164 1 "Not handling restraint 164, item 3, resonance(s) 'B.76.HG1' (nmrStar names),'B.76.HN' (nmrStar names) not linked" c16510_2ke1 3 487 5 165 1 "Not handling restraint 165, item 2, resonance(s) 'B.78.HN' (nmrStar names),'B.78.HB1' (nmrStar names) not linked" c16510_2ke1 3 488 5 165 1 "Not handling restraint 165, item 3, resonance(s) 'B.78.HN' (nmrStar names),'B.78.HB2' (nmrStar names) not linked" c16510_2ke1 3 489 5 166 1 "Not handling restraint 166, item 2, resonance(s) 'B.73.HE21' (nmrStar names),'B.73.HG1' (nmrStar names) not linked" c16510_2ke1 3 490 5 166 1 "Not handling restraint 166, item 3, resonance(s) 'B.73.HE21' (nmrStar names),'B.73.HG2' (nmrStar names) not linked" c16510_2ke1 3 491 5 167 1 "Not handling restraint 167, item 2, resonance(s) 'B.76.HN' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 492 5 167 1 "Not handling restraint 167, item 3, resonance(s) 'B.76.HN' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 493 5 168 1 "Not handling restraint 168, item 2, resonance(s) 'B.73.HN' (nmrStar names),'B.73.HG2' (nmrStar names) not linked" c16510_2ke1 3 494 5 168 1 "Not handling restraint 168, item 3, resonance(s) 'B.73.HN' (nmrStar names),'B.73.HG1' (nmrStar names) not linked" c16510_2ke1 3 495 5 169 1 "Not handling restraint 169, item 2, resonance(s) 'B.70.HB1' (nmrStar names),'B.70.HD2' (nmrStar names) not linked" c16510_2ke1 3 496 5 169 1 "Not handling restraint 169, item 3, resonance(s) 'B.70.HD1' (nmrStar names),'B.70.HG1' (nmrStar names) not linked" c16510_2ke1 3 497 5 170 1 "Not handling restraint 170, item 2, resonance(s) 'B.70.HG2' (nmrStar names),'B.70.HD2' (nmrStar names) not linked" c16510_2ke1 3 498 5 170 1 "Not handling restraint 170, item 3, resonance(s) 'B.70.HD1' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 3 499 5 171 1 "Not handling restraint 171, item 2, resonance(s) 'B.72.HB1' (nmrStar names),'B.72.HA' (nmrStar names) not linked" c16510_2ke1 3 500 5 171 1 "Not handling restraint 171, item 3, resonance(s) 'B.72.HB2' (nmrStar names),'B.72.HA' (nmrStar names) not linked" c16510_2ke1 3 501 5 172 1 "Not handling restraint 172, item 2, resonance(s) 'B.73.HA' (nmrStar names),'B.73.HB1' (nmrStar names) not linked" c16510_2ke1 3 502 5 172 1 "Not handling restraint 172, item 3, resonance(s) 'B.73.HA' (nmrStar names),'B.73.HB2' (nmrStar names) not linked" c16510_2ke1 3 503 5 173 1 "Not handling restraint 173, item 2, resonance(s) 'B.73.HE22' (nmrStar names),'B.73.HG1' (nmrStar names) not linked" c16510_2ke1 3 504 5 173 1 "Not handling restraint 173, item 3, resonance(s) 'B.73.HE22' (nmrStar names),'B.73.HG2' (nmrStar names) not linked" c16510_2ke1 3 505 5 174 1 "Not handling restraint 174, item 2, resonance(s) 'B.76.HG2' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 506 5 174 1 "Not handling restraint 174, item 3, resonance(s) 'B.76.HG2' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 507 5 175 1 "Not handling restraint 175, item 2, resonance(s) 'B.70.HB1' (nmrStar names),'B.70.HA' (nmrStar names) not linked" c16510_2ke1 3 508 5 175 1 "Not handling restraint 175, item 3, resonance(s) 'B.70.HG1' (nmrStar names),'B.70.HA' (nmrStar names) not linked" c16510_2ke1 3 509 5 175 1 "Not handling restraint 175, item 4, resonance(s) 'B.76.HA' (nmrStar names),'B.76.HB2' (nmrStar names) not linked" c16510_2ke1 3 510 5 176 1 "Not handling restraint 176, item 2, resonance(s) 'B.76.HA' (nmrStar names),'B.77.HB1' (nmrStar names) not linked" c16510_2ke1 3 511 5 176 1 "Not handling restraint 176, item 3, resonance(s) 'B.78.HA' (nmrStar names),'B.77.HB1' (nmrStar names) not linked" c16510_2ke1 3 512 5 176 1 "Not handling restraint 176, item 4, resonance(s) 'B.76.HA' (nmrStar names),'B.77.HG2' (nmrStar names) not linked" c16510_2ke1 3 513 5 177 1 "Not handling restraint 177, item 2, resonance(s) 'B.76.HA' (nmrStar names),'B.76.HG2' (nmrStar names) not linked" c16510_2ke1 3 514 5 177 1 "Not handling restraint 177, item 3, resonance(s) 'B.70.HA' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 3 515 5 178 1 "Not handling restraint 178, item 2, resonance(s) 'B.76.HD2' (nmrStar names),'B.76.HE' (nmrStar names) not linked" c16510_2ke1 3 516 5 178 1 "Not handling restraint 178, item 3, resonance(s) 'B.76.HD1' (nmrStar names),'B.76.HE' (nmrStar names) not linked" c16510_2ke1 3 517 5 179 1 "Not handling restraint 179, item 2, resonance(s) 'B.78.HA' (nmrStar names),'B.78.HB2' (nmrStar names) not linked" c16510_2ke1 3 518 5 179 1 "Not handling restraint 179, item 3, resonance(s) 'B.78.HA' (nmrStar names),'B.78.HB1' (nmrStar names) not linked" c16510_2ke1 3 519 5 180 1 "Not handling restraint 180, item 2, resonance(s) 'B.76.HA' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 520 5 180 1 "Not handling restraint 180, item 3, resonance(s) 'B.76.HA' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 521 5 181 1 "Not handling restraint 181, item 2, resonance(s) 'B.76.HD2' (nmrStar names),'B.76.HB2' (nmrStar names) not linked" c16510_2ke1 3 522 5 181 1 "Not handling restraint 181, item 3, resonance(s) 'B.76.HG1' (nmrStar names),'B.76.HD1' (nmrStar names) not linked" c16510_2ke1 3 523 5 181 1 "Not handling restraint 181, item 4, resonance(s) 'B.76.HG1' (nmrStar names),'B.76.HD2' (nmrStar names) not linked" c16510_2ke1 3 524 5 182 1 "Not handling restraint 182, item 2, resonance(s) 'A.7.HA' (nmrStar names),'B.70.HD1' (nmrStar names) not linked" c16510_2ke1 3 525 5 182 1 "Not handling restraint 182, item 3, resonance(s) 'A.7.HA' (nmrStar names),'B.70.HD2' (nmrStar names) not linked" c16510_2ke1 3 526 5 183 1 "Not handling restraint 183, item 2, resonance(s) 'A.47.HE3' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 3 527 5 183 1 "Not handling restraint 183, item 3, resonance(s) 'A.47.HE3' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 3 528 5 183 1 "Not handling restraint 183, item 4, resonance(s) 'A.47.HE3' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 3 529 5 183 1 "Not handling restraint 183, item 5, resonance(s) 'A.7.HD21' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 3 530 5 184 1 "Not handling restraint 184, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'B.72.HE1' (nmrStar names) not linked" c16510_2ke1 3 531 5 184 1 "Not handling restraint 184, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'B.72.HE1' (nmrStar names) not linked" c16510_2ke1 3 532 5 184 1 "Not handling restraint 184, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'B.72.HE1' (nmrStar names) not linked" c16510_2ke1 3 533 5 184 1 "Not handling restraint 184, item 5, resonance(s) 'A.20.HD13' (nmrStar names),'B.72.HE2' (nmrStar names) not linked" c16510_2ke1 3 534 5 184 1 "Not handling restraint 184, item 6, resonance(s) 'A.20.HD11' (nmrStar names),'B.72.HE2' (nmrStar names) not linked" c16510_2ke1 3 535 5 184 1 "Not handling restraint 184, item 7, resonance(s) 'A.20.HD12' (nmrStar names),'B.72.HE2' (nmrStar names) not linked" c16510_2ke1 3 536 5 185 1 "Not handling restraint 185, item 2, resonance(s) 'A.20.HB1' (nmrStar names),'B.72.HE2' (nmrStar names) not linked" c16510_2ke1 3 537 5 185 1 "Not handling restraint 185, item 3, resonance(s) 'A.20.HB1' (nmrStar names),'B.72.HE1' (nmrStar names) not linked" c16510_2ke1 3 538 5 186 1 "Not handling restraint 186, item 2, resonance(s) 'A.45.HA2' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 3 539 5 186 1 "Not handling restraint 186, item 3, resonance(s) 'A.45.HA2' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 3 540 5 186 1 "Not handling restraint 186, item 4, resonance(s) 'A.45.HA2' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 3 541 5 186 1 "Not handling restraint 186, item 5, resonance(s) 'A.45.HA1' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 3 542 5 186 1 "Not handling restraint 186, item 6, resonance(s) 'A.45.HA1' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 3 543 5 186 1 "Not handling restraint 186, item 7, resonance(s) 'A.45.HA1' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 3 544 5 187 1 "Not handling restraint 187, item 2, resonance(s) 'A.18.HA2' (nmrStar names),'B.76.HG2' (nmrStar names) not linked" c16510_2ke1 3 545 5 187 1 "Not handling restraint 187, item 3, resonance(s) 'A.43.HD2' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 3 546 5 187 1 "Not handling restraint 187, item 4, resonance(s) 'A.43.HD2' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 3 547 5 187 1 "Not handling restraint 187, item 5, resonance(s) 'A.43.HD2' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 3 548 5 188 1 "Not handling restraint 188, item 2, resonance(s) 'A.43.HB2' (nmrStar names),'B.69.HB2' (nmrStar names) not linked" c16510_2ke1 3 549 5 188 1 "Not handling restraint 188, item 3, resonance(s) 'A.43.HB2' (nmrStar names),'B.69.HB3' (nmrStar names) not linked" c16510_2ke1 3 550 5 188 1 "Not handling restraint 188, item 4, resonance(s) 'A.43.HB2' (nmrStar names),'B.69.HB1' (nmrStar names) not linked" c16510_2ke1 3 551 5 188 1 "Not handling restraint 188, item 5, resonance(s) 'A.7.HB1' (nmrStar names),'B.70.HG2' (nmrStar names) not linked" c16510_2ke1 3 552 5 189 1 "Not handling restraint 189, item 10, resonance(s) 'A.42.HG21' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 3 553 5 189 1 "Not handling restraint 189, item 11, resonance(s) 'A.42.HD11' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 3 554 5 189 1 "Not handling restraint 189, item 12, resonance(s) 'A.42.HD11' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 3 555 5 189 1 "Not handling restraint 189, item 13, resonance(s) 'A.42.HD11' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 3 556 5 189 1 "Not handling restraint 189, item 14, resonance(s) 'A.42.HD12' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 3 557 5 189 1 "Not handling restraint 189, item 15, resonance(s) 'A.42.HD12' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 3 558 5 189 1 "Not handling restraint 189, item 16, resonance(s) 'A.42.HD12' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 3 559 5 189 1 "Not handling restraint 189, item 17, resonance(s) 'A.42.HD13' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 3 560 5 189 1 "Not handling restraint 189, item 18, resonance(s) 'A.42.HD13' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 3 561 5 189 1 "Not handling restraint 189, item 19, resonance(s) 'A.42.HD13' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 3 562 5 189 1 "Not handling restraint 189, item 2, resonance(s) 'A.42.HG22' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 3 563 5 189 1 "Not handling restraint 189, item 3, resonance(s) 'A.42.HG22' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 3 564 5 189 1 "Not handling restraint 189, item 4, resonance(s) 'A.42.HG22' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 3 565 5 189 1 "Not handling restraint 189, item 5, resonance(s) 'A.42.HG23' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 3 566 5 189 1 "Not handling restraint 189, item 6, resonance(s) 'A.42.HG23' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 3 567 5 189 1 "Not handling restraint 189, item 7, resonance(s) 'A.42.HG23' (nmrStar names),'B.71.HG23' (nmrStar names) not linked" c16510_2ke1 3 568 5 189 1 "Not handling restraint 189, item 8, resonance(s) 'A.42.HG21' (nmrStar names),'B.71.HG22' (nmrStar names) not linked" c16510_2ke1 3 569 5 189 1 "Not handling restraint 189, item 9, resonance(s) 'A.42.HG21' (nmrStar names),'B.71.HG21' (nmrStar names) not linked" c16510_2ke1 3 570 5 190 1 "Not handling restraint 190, item 2, resonance(s) 'A.20.HD13' (nmrStar names),'B.72.HG2' (nmrStar names) not linked" c16510_2ke1 3 571 5 190 1 "Not handling restraint 190, item 3, resonance(s) 'A.20.HD11' (nmrStar names),'B.72.HG2' (nmrStar names) not linked" c16510_2ke1 3 572 5 190 1 "Not handling restraint 190, item 4, resonance(s) 'A.20.HD12' (nmrStar names),'B.72.HG2' (nmrStar names) not linked" c16510_2ke1 3 573 5 190 1 "Not handling restraint 190, item 5, resonance(s) 'A.20.HD13' (nmrStar names),'B.72.HG1' (nmrStar names) not linked" c16510_2ke1 3 574 5 190 1 "Not handling restraint 190, item 6, resonance(s) 'A.20.HD11' (nmrStar names),'B.72.HG1' (nmrStar names) not linked" c16510_2ke1 3 575 5 190 1 "Not handling restraint 190, item 7, resonance(s) 'A.20.HD12' (nmrStar names),'B.72.HG1' (nmrStar names) not linked" c16510_2ke1 3 576 5 191 1 "Not handling restraint 191, item 1, resonance(s) ' .70.HH#' (nmrStar names) not linked" c16510_2ke1 3 577 5 191 1 "Not handling restraint 191, item 1, resonance(s) ' .70.HH#' (nmrStar names) not linked" c16510_2ke1 3 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_9 _Gen_dist_constraint_list.Entry_ID c16510_2ke1 _Gen_dist_constraint_list.ID 4 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 9 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16510_2ke1 4 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 21 21 ILE N N . . . 1 1 30 30 PHE O O . . . . . 2.8 2.8 3.3 . . . . . A . 309 ILE N . . A . 318 PHE O . . . 21 . N . . . . . 30 . O . . c16510_2ke1 4 2 1 . . 1 1 30 30 PHE O O . . . 1 1 21 21 ILE H H . . . . . 1.8 1.8 2.3 . . . . . A . 318 PHE O . . A . 309 ILE H . . . 30 . O . . . . . 21 . HN . . c16510_2ke1 4 3 1 . . 1 1 30 30 PHE N N . . . 1 1 21 21 ILE O O . . . . . 2.8 2.8 3.3 . . . . . A . 318 PHE N . . A . 309 ILE O . . . 30 . N . . . . . 21 . O . . c16510_2ke1 4 4 1 . . 1 1 21 21 ILE O O . . . 1 1 30 30 PHE H H . . . . . 1.8 1.8 2.3 . . . . . A . 309 ILE O . . A . 318 PHE H . . . 21 . O . . . . . 30 . HN . . c16510_2ke1 4 5 1 . . 1 1 23 23 CYS N N . . . 1 1 28 28 ARG O O . . . . . 2.8 2.8 3.3 . . . . . A . 311 CYS N . . A . 316 ARG O . . . 23 . N . . . . . 28 . O . . c16510_2ke1 4 6 1 . . 1 1 28 28 ARG O O . . . 1 1 23 23 CYS H H . . . . . 1.8 1.8 2.3 . . . . . A . 316 ARG O . . A . 311 CYS H . . . 28 . O . . . . . 23 . HN . . c16510_2ke1 4 7 1 . . 1 1 31 31 HIS O O . . . 1 1 35 35 LEU N N . . . . . 2.8 2.8 3.3 . . . . . A . 319 HIS O . . A . 323 LEU N . . . 31 . O . . . . . 35 . N . . c16510_2ke1 4 8 1 . . 1 1 31 31 HIS O O . . . 1 1 35 35 LEU H H . . . . . 1.8 1.8 2.3 . . . . . A . 319 HIS O . . A . 323 LEU H . . . 31 . O . . . . . 35 . HN . . c16510_2ke1 4 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'BETA SHEET' 1 1 1 12 c16510_2ke1 4 2 ALPHA_HELIX 15 74 19 13 c16510_2ke1 4 3 ! 20 71 20 75 c16510_2ke1 4 4 ! 21 71 21 75 c16510_2ke1 4 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 9 7 1 "Not handling restraint 7, item 1, resonance(s) ' .70.N' (nmrStar names) not linked" c16510_2ke1 4 2 9 8 1 "Not handling restraint 8, item 1, resonance(s) ' .70.HN' (nmrStar names) not linked" c16510_2ke1 4 3 9 9 1 "Not handling restraint 9, item 1, resonance(s) ' .70.O' (nmrStar names) not linked" c16510_2ke1 4 4 9 10 1 "Not handling restraint 10, item 1, resonance(s) ' .70.O' (nmrStar names) not linked" c16510_2ke1 4 5 9 11 1 "Not handling restraint 11, item 1, resonance(s) ' .72.N' (nmrStar names) not linked" c16510_2ke1 4 6 9 12 1 "Not handling restraint 12, item 1, resonance(s) ' .72.HN' (nmrStar names) not linked" c16510_2ke1 4 7 9 13 1 "Not handling restraint 13, item 1, resonance(s) ' .72.O' (nmrStar names) not linked" c16510_2ke1 4 8 9 14 1 "Not handling restraint 14, item 1, resonance(s) ' .72.O' (nmrStar names) not linked" c16510_2ke1 4 stop_ save_ save_CNS/XPLOR_dihedral_7 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_7 _Torsion_angle_constraint_list.Entry_ID c16510_2ke1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 7 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c16510_2ke1 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 5 5 GLN C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -149.00 -71.00 . . . A . 293 GLN C . . A . 294 LYS N . . A . 294 LYS CA . . A . 294 LYS C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . c16510_2ke1 1 2 . . 1 1 6 6 LYS C C . . 1 1 7 7 ASN N N . . 1 1 7 7 ASN CA C . . 1 1 7 7 ASN C C . -177.50 -102.50 . . . A . 294 LYS C . . A . 295 ASN N . . A . 295 ASN CA . . A . 295 ASN C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c16510_2ke1 1 3 . . 1 1 7 7 ASN C C . . 1 1 8 8 GLU N N . . 1 1 8 8 GLU CA C . . 1 1 8 8 GLU C C . -111.31 -49.31 . . . A . 295 ASN C . . A . 296 GLU N . . A . 296 GLU CA . . A . 296 GLU C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . c16510_2ke1 1 4 . . 1 1 8 8 GLU C C . . 1 1 9 9 ASP N N . . 1 1 9 9 ASP CA C . . 1 1 9 9 ASP C C . -131.85 -69.85 . . . A . 296 GLU C . . A . 297 ASP N . . A . 297 ASP CA . . A . 297 ASP C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . c16510_2ke1 1 5 . . 1 1 9 9 ASP C C . . 1 1 10 10 GLU N N . . 1 1 10 10 GLU CA C . . 1 1 10 10 GLU C C . -155.37 -113.37 . . . A . 297 ASP C . . A . 298 GLU N . . A . 298 GLU CA . . A . 298 GLU C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . c16510_2ke1 1 6 . . 1 1 10 10 GLU C C . . 1 1 11 11 CYS N N . . 1 1 11 11 CYS CA C . . 1 1 11 11 CYS C C . -87.58 -45.58 . . . A . 298 GLU C . . A . 299 CYS N . . A . 299 CYS CA . . A . 299 CYS C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . c16510_2ke1 1 7 . . 1 1 13 13 VAL C C . . 1 1 14 14 CYS N N . . 1 1 14 14 CYS CA C . . 1 1 14 14 CYS C C . -136.58 -94.58 . . . A . 301 VAL C . . A . 302 CYS N . . A . 302 CYS CA . . A . 302 CYS C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . c16510_2ke1 1 8 . . 1 1 15 15 ARG C C . . 1 1 16 16 ASP N N . . 1 1 16 16 ASP CA C . . 1 1 16 16 ASP C C . -135.67 -73.67 . . . A . 303 ARG C . . A . 304 ASP N . . A . 304 ASP CA . . A . 304 ASP C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . c16510_2ke1 1 9 . . 1 1 22 22 CYS C C . . 1 1 23 23 CYS N N . . 1 1 23 23 CYS CA C . . 1 1 23 23 CYS C C . -73.87 -51.87 . . . A . 310 CYS C . . A . 311 CYS N . . A . 311 CYS CA . . A . 311 CYS C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . c16510_2ke1 1 10 . . 1 1 23 23 CYS C C . . 1 1 24 24 ASP N N . . 1 1 24 24 ASP CA C . . 1 1 24 24 ASP C C . -58.12 -47.12 . . . A . 311 CYS C . . A . 312 ASP N . . A . 312 ASP CA . . A . 312 ASP C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . c16510_2ke1 1 11 . . 1 1 25 25 GLY C C . . 1 1 26 26 CYS N N . . 1 1 26 26 CYS CA C . . 1 1 26 26 CYS C C . -135.82 -93.82 . . . A . 313 GLY C . . A . 314 CYS N . . A . 314 CYS CA . . A . 314 CYS C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . c16510_2ke1 1 12 . . 1 1 26 26 CYS C C . . 1 1 27 27 PRO N N . . 1 1 27 27 PRO CA C . . 1 1 27 27 PRO C C . -78.80 -36.80 . . . A . 314 CYS C . . A . 315 PRO N . . A . 315 PRO CA . . A . 315 PRO C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . c16510_2ke1 1 13 . . 1 1 27 27 PRO C C . . 1 1 28 28 ARG N N . . 1 1 28 28 ARG CA C . . 1 1 28 28 ARG C C . -77.80 -35.80 . . . A . 315 PRO C . . A . 316 ARG N . . A . 316 ARG CA . . A . 316 ARG C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . c16510_2ke1 1 14 . . 1 1 30 30 PHE C C . . 1 1 31 31 HIS N N . . 1 1 31 31 HIS CA C . . 1 1 31 31 HIS C C . -108.97 -86.97 . . . A . 318 PHE C . . A . 319 HIS N . . A . 319 HIS CA . . A . 319 HIS C . . . 30 . C . . . . . 31 . N . . . . . 31 . CA . . . . . 31 . C . . c16510_2ke1 1 15 . . 1 1 33 33 ALA C C . . 1 1 34 34 CYS N N . . 1 1 34 34 CYS CA C . . 1 1 34 34 CYS C C . -94.18 -52.18 . . . A . 321 ALA C . . A . 322 CYS N . . A . 322 CYS CA . . A . 322 CYS C . . . 33 . C . . . . . 34 . N . . . . . 34 . CA . . . . . 34 . C . . c16510_2ke1 1 16 . . 1 1 34 34 CYS C C . . 1 1 35 35 LEU N N . . 1 1 35 35 LEU CA C . . 1 1 35 35 LEU C C . -83.73 -41.73 . . . A . 322 CYS C . . A . 323 LEU N . . A . 323 LEU CA . . A . 323 LEU C . . . 34 . C . . . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . c16510_2ke1 1 17 . . 1 1 35 35 LEU C C . . 1 1 36 36 SER N N . . 1 1 36 36 SER CA C . . 1 1 36 36 SER C C . -138.34 -116.34 . . . A . 323 LEU C . . A . 324 SER N . . A . 324 SER CA . . A . 324 SER C . . . 35 . C . . . . . 36 . N . . . . . 36 . CA . . . . . 36 . C . . c16510_2ke1 1 18 . . 1 1 36 36 SER C C . . 1 1 37 37 PRO N N . . 1 1 37 37 PRO CA C . . 1 1 37 37 PRO C C . -96.31 -54.31 . . . A . 324 SER C . . A . 325 PRO N . . A . 325 PRO CA . . A . 325 PRO C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . c16510_2ke1 1 19 . . 1 1 37 37 PRO C C . . 1 1 38 38 PRO N N . . 1 1 38 38 PRO CA C . . 1 1 38 38 PRO C C . -90.15 -48.15 . . . A . 325 PRO C . . A . 326 PRO N . . A . 326 PRO CA . . A . 326 PRO C . . . 37 . C . . . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . c16510_2ke1 1 20 . . 1 1 38 38 PRO C C . . 1 1 39 39 LEU N N . . 1 1 39 39 LEU CA C . . 1 1 39 39 LEU C C . -119.59 -57.59 . . . A . 326 PRO C . . A . 327 LEU N . . A . 327 LEU CA . . A . 327 LEU C . . . 38 . C . . . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . c16510_2ke1 1 21 . . 1 1 39 39 LEU C C . . 1 1 40 40 ARG N N . . 1 1 40 40 ARG CA C . . 1 1 40 40 ARG C C . -99.79 -57.79 . . . A . 327 LEU C . . A . 328 ARG N . . A . 328 ARG CA . . A . 328 ARG C . . . 39 . C . . . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . c16510_2ke1 1 22 . . 1 1 40 40 ARG C C . . 1 1 41 41 GLU N N . . 1 1 41 41 GLU CA C . . 1 1 41 41 GLU C C . -160.27 -118.27 . . . A . 328 ARG C . . A . 329 GLU N . . A . 329 GLU CA . . A . 329 GLU C . . . 40 . C . . . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . c16510_2ke1 1 23 . . 1 1 41 41 GLU C C . . 1 1 42 42 ILE N N . . 1 1 42 42 ILE CA C . . 1 1 42 42 ILE C C . -95.06 -53.06 . . . A . 329 GLU C . . A . 330 ILE N . . A . 330 ILE CA . . A . 330 ILE C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . c16510_2ke1 1 24 . . 1 1 42 42 ILE C C . . 1 1 43 43 PRO N N . . 1 1 43 43 PRO CA C . . 1 1 43 43 PRO C C . -108.02 -46.02 . . . A . 330 ILE C . . A . 331 PRO N . . A . 331 PRO CA . . A . 331 PRO C . . . 42 . C . . . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . c16510_2ke1 1 25 . . 1 1 44 44 SER C C . . 1 1 45 45 GLY N N . . 1 1 45 45 GLY CA C . . 1 1 45 45 GLY C C . 143.42 205.42 . . . A . 332 SER C . . A . 333 GLY N . . A . 333 GLY CA . . A . 333 GLY C . . . 44 . C . . . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . c16510_2ke1 1 26 . . 1 1 45 45 GLY C C . . 1 1 46 46 THR N N . . 1 1 46 46 THR CA C . . 1 1 46 46 THR C C . -129.20 -67.20 . . . A . 333 GLY C . . A . 334 THR N . . A . 334 THR CA . . A . 334 THR C . . . 45 . C . . . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . c16510_2ke1 1 27 . . 1 1 46 46 THR C C . . 1 1 47 47 TRP N N . . 1 1 47 47 TRP CA C . . 1 1 47 47 TRP C C . -107.13 -85.13 . . . A . 334 THR C . . A . 335 TRP N . . A . 335 TRP CA . . A . 335 TRP C . . . 46 . C . . . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . c16510_2ke1 1 28 . . 1 1 47 47 TRP C C . . 1 1 48 48 ARG N N . . 1 1 48 48 ARG CA C . . 1 1 48 48 ARG C C . -135.98 -113.98 . . . A . 335 TRP C . . A . 336 ARG N . . A . 336 ARG CA . . A . 336 ARG C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . c16510_2ke1 1 29 . . 1 1 48 48 ARG C C . . 1 1 49 49 CYS N N . . 1 1 49 49 CYS CA C . . 1 1 49 49 CYS C C . -89.52 -67.52 . . . A . 336 ARG C . . A . 337 CYS N . . A . 337 CYS CA . . A . 337 CYS C . . . 48 . C . . . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . c16510_2ke1 1 30 . . 1 1 50 50 SER C C . . 1 1 51 51 SER N N . . 1 1 51 51 SER CA C . . 1 1 51 51 SER C C . -60.21 -49.21 . . . A . 338 SER C . . A . 339 SER N . . A . 339 SER CA . . A . 339 SER C . . . 50 . C . . . . . 51 . N . . . . . 51 . CA . . . . . 51 . C . . c16510_2ke1 1 31 . . 1 1 51 51 SER C C . . 1 1 52 52 CYS N N . . 1 1 52 52 CYS CA C . . 1 1 52 52 CYS C C . -65.41 -54.41 . . . A . 339 SER C . . A . 340 CYS N . . A . 340 CYS CA . . A . 340 CYS C . . . 51 . C . . . . . 52 . N . . . . . 52 . CA . . . . . 52 . C . . c16510_2ke1 1 32 . . 1 1 52 52 CYS C C . . 1 1 53 53 LEU N N . . 1 1 53 53 LEU CA C . . 1 1 53 53 LEU C C . -83.41 -41.41 . . . A . 340 CYS C . . A . 341 LEU N . . A . 341 LEU CA . . A . 341 LEU C . . . 52 . C . . . . . 53 . N . . . . . 53 . CA . . . . . 53 . C . . c16510_2ke1 1 33 . . 1 1 53 53 LEU C C . . 1 1 54 54 GLN N N . . 1 1 54 54 GLN CA C . . 1 1 54 54 GLN C C . -116.23 -54.23 . . . A . 341 LEU C . . A . 342 GLN N . . A . 342 GLN CA . . A . 342 GLN C . . . 53 . C . . . . . 54 . N . . . . . 54 . CA . . . . . 54 . C . . c16510_2ke1 1 34 . . 1 1 54 54 GLN C C . . 1 1 55 55 ALA N N . . 1 1 55 55 ALA CA C . . 1 1 55 55 ALA C C . -136.11 -54.11 . . . A . 342 GLN C . . A . 343 ALA N . . A . 343 ALA CA . . A . 343 ALA C . . . 54 . C . . . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . c16510_2ke1 1 35 . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 ASN N N . 95.50 152.50 . . . A . 294 LYS N . . A . 294 LYS CA . . A . 294 LYS C . . A . 295 ASN N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . c16510_2ke1 1 36 . . 1 1 7 7 ASN N N . . 1 1 7 7 ASN CA C . . 1 1 7 7 ASN C C . . 1 1 8 8 GLU N N . 136.50 175.50 . . . A . 295 ASN N . . A . 295 ASN CA . . A . 295 ASN C . . A . 296 GLU N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . c16510_2ke1 1 37 . . 1 1 8 8 GLU N N . . 1 1 8 8 GLU CA C . . 1 1 8 8 GLU C C . . 1 1 9 9 ASP N N . 100.14 162.14 . . . A . 296 GLU N . . A . 296 GLU CA . . A . 296 GLU C . . A . 297 ASP N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . c16510_2ke1 1 38 . . 1 1 9 9 ASP N N . . 1 1 9 9 ASP CA C . . 1 1 9 9 ASP C C . . 1 1 10 10 GLU N N . 1.09 63.09 . . . A . 297 ASP N . . A . 297 ASP CA . . A . 297 ASP C . . A . 298 GLU N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . c16510_2ke1 1 39 . . 1 1 10 10 GLU N N . . 1 1 10 10 GLU CA C . . 1 1 10 10 GLU C C . . 1 1 11 11 CYS N N . 113.29 155.29 . . . A . 298 GLU N . . A . 298 GLU CA . . A . 298 GLU C . . A . 299 CYS N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 11 . N . . c16510_2ke1 1 40 . . 1 1 11 11 CYS N N . . 1 1 11 11 CYS CA C . . 1 1 11 11 CYS C C . . 1 1 12 12 ALA N N . 139.39 181.39 . . . A . 299 CYS N . . A . 299 CYS CA . . A . 299 CYS C . . A . 300 ALA N . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . . . . 12 . N . . c16510_2ke1 1 41 . . 1 1 14 14 CYS N N . . 1 1 14 14 CYS CA C . . 1 1 14 14 CYS C C . . 1 1 15 15 ARG N N . -12.27 29.73 . . . A . 302 CYS N . . A . 302 CYS CA . . A . 302 CYS C . . A . 303 ARG N . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . . . . 15 . N . . c16510_2ke1 1 42 . . 1 1 16 16 ASP N N . . 1 1 16 16 ASP CA C . . 1 1 16 16 ASP C C . . 1 1 17 17 GLY N N . 126.09 188.09 . . . A . 304 ASP N . . A . 304 ASP CA . . A . 304 ASP C . . A . 305 GLY N . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . . . . 17 . N . . c16510_2ke1 1 43 . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU C C . . 1 1 21 21 ILE N N . 138.51 160.51 . . . A . 308 LEU N . . A . 308 LEU CA . . A . 308 LEU C . . A . 309 ILE N . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . . . . 21 . N . . c16510_2ke1 1 44 . . 1 1 21 21 ILE N N . . 1 1 21 21 ILE CA C . . 1 1 21 21 ILE C C . . 1 1 22 22 CYS N N . 101.40 123.40 . . . A . 309 ILE N . . A . 309 ILE CA . . A . 309 ILE C . . A . 310 CYS N . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . . . . 22 . N . . c16510_2ke1 1 45 . . 1 1 22 22 CYS N N . . 1 1 22 22 CYS CA C . . 1 1 22 22 CYS C C . . 1 1 23 23 CYS N N . 124.85 146.85 . . . A . 310 CYS N . . A . 310 CYS CA . . A . 310 CYS C . . A . 311 CYS N . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . . . . 23 . N . . c16510_2ke1 1 46 . . 1 1 23 23 CYS N N . . 1 1 23 23 CYS CA C . . 1 1 23 23 CYS C C . . 1 1 24 24 ASP N N . 141.48 163.48 . . . A . 311 CYS N . . A . 311 CYS CA . . A . 311 CYS C . . A . 312 ASP N . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . . . . 24 . N . . c16510_2ke1 1 47 . . 1 1 24 24 ASP N N . . 1 1 24 24 ASP CA C . . 1 1 24 24 ASP C C . . 1 1 25 25 GLY N N . -80.68 -69.68 . . . A . 312 ASP N . . A . 312 ASP CA . . A . 312 ASP C . . A . 313 GLY N . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . . . . 25 . N . . c16510_2ke1 1 48 . . 1 1 26 26 CYS N N . . 1 1 26 26 CYS CA C . . 1 1 26 26 CYS C C . . 1 1 27 27 PRO N N . 89.43 131.43 . . . A . 314 CYS N . . A . 314 CYS CA . . A . 314 CYS C . . A . 315 PRO N . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . . . . 27 . N . . c16510_2ke1 1 49 . . 1 1 27 27 PRO N N . . 1 1 27 27 PRO CA C . . 1 1 27 27 PRO C C . . 1 1 28 28 ARG N N . -38.17 3.83 . . . A . 315 PRO N . . A . 315 PRO CA . . A . 315 PRO C . . A . 316 ARG N . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . . . . 28 . N . . c16510_2ke1 1 50 . . 1 1 28 28 ARG N N . . 1 1 28 28 ARG CA C . . 1 1 28 28 ARG C C . . 1 1 29 29 ALA N N . 122.08 164.08 . . . A . 316 ARG N . . A . 316 ARG CA . . A . 316 ARG C . . A . 317 ALA N . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . . . . 29 . N . . c16510_2ke1 1 51 . . 1 1 29 29 ALA N N . . 1 1 29 29 ALA CA C . . 1 1 29 29 ALA C C . . 1 1 30 30 PHE N N . 140.37 162.37 . . . A . 317 ALA N . . A . 317 ALA CA . . A . 317 ALA C . . A . 318 PHE N . . . 29 . N . . . . . 29 . CA . . . . . 29 . C . . . . . 30 . N . . c16510_2ke1 1 52 . . 1 1 30 30 PHE N N . . 1 1 30 30 PHE CA C . . 1 1 30 30 PHE C C . . 1 1 31 31 HIS N N . 153.03 175.03 . . . A . 318 PHE N . . A . 318 PHE CA . . A . 318 PHE C . . A . 319 HIS N . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . . . . 31 . N . . c16510_2ke1 1 53 . . 1 1 31 31 HIS N N . . 1 1 31 31 HIS CA C . . 1 1 31 31 HIS C C . . 1 1 32 32 LEU N N . 146.44 168.44 . . . A . 319 HIS N . . A . 319 HIS CA . . A . 319 HIS C . . A . 320 LEU N . . . 31 . N . . . . . 31 . CA . . . . . 31 . C . . . . . 32 . N . . c16510_2ke1 1 54 . . 1 1 32 32 LEU N N . . 1 1 32 32 LEU CA C . . 1 1 32 32 LEU C C . . 1 1 33 33 ALA N N . -63.00 -52.00 . . . A . 320 LEU N . . A . 320 LEU CA . . A . 320 LEU C . . A . 321 ALA N . . . 32 . N . . . . . 32 . CA . . . . . 32 . C . . . . . 33 . N . . c16510_2ke1 1 55 . . 1 1 33 33 ALA N N . . 1 1 33 33 ALA CA C . . 1 1 33 33 ALA C C . . 1 1 34 34 CYS N N . -39.34 -8.34 . . . A . 321 ALA N . . A . 321 ALA CA . . A . 321 ALA C . . A . 322 CYS N . . . 33 . N . . . . . 33 . CA . . . . . 33 . C . . . . . 34 . N . . c16510_2ke1 1 56 . . 1 1 34 34 CYS N N . . 1 1 34 34 CYS CA C . . 1 1 34 34 CYS C C . . 1 1 35 35 LEU N N . -56.86 -14.86 . . . A . 322 CYS N . . A . 322 CYS CA . . A . 322 CYS C . . A . 323 LEU N . . . 34 . N . . . . . 34 . CA . . . . . 34 . C . . . . . 35 . N . . c16510_2ke1 1 57 . . 1 1 35 35 LEU N N . . 1 1 35 35 LEU CA C . . 1 1 35 35 LEU C C . . 1 1 36 36 SER N N . 125.88 167.88 . . . A . 323 LEU N . . A . 323 LEU CA . . A . 323 LEU C . . A . 324 SER N . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . . . . 36 . N . . c16510_2ke1 1 58 . . 1 1 36 36 SER N N . . 1 1 36 36 SER CA C . . 1 1 36 36 SER C C . . 1 1 37 37 PRO N N . 98.32 120.32 . . . A . 324 SER N . . A . 324 SER CA . . A . 324 SER C . . A . 325 PRO N . . . 36 . N . . . . . 36 . CA . . . . . 36 . C . . . . . 37 . N . . c16510_2ke1 1 59 . . 1 1 37 37 PRO N N . . 1 1 37 37 PRO CA C . . 1 1 37 37 PRO C C . . 1 1 38 38 PRO N N . 129.76 171.76 . . . A . 325 PRO N . . A . 325 PRO CA . . A . 325 PRO C . . A . 326 PRO N . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . . . . 38 . N . . c16510_2ke1 1 60 . . 1 1 38 38 PRO N N . . 1 1 38 38 PRO CA C . . 1 1 38 38 PRO C C . . 1 1 39 39 LEU N N . 124.64 166.64 . . . A . 326 PRO N . . A . 326 PRO CA . . A . 326 PRO C . . A . 327 LEU N . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . . . . 39 . N . . c16510_2ke1 1 61 . . 1 1 39 39 LEU N N . . 1 1 39 39 LEU CA C . . 1 1 39 39 LEU C C . . 1 1 40 40 ARG N N . 106.27 168.27 . . . A . 327 LEU N . . A . 327 LEU CA . . A . 327 LEU C . . A . 328 ARG N . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . . . . 40 . N . . c16510_2ke1 1 62 . . 1 1 40 40 ARG N N . . 1 1 40 40 ARG CA C . . 1 1 40 40 ARG C C . . 1 1 41 41 GLU N N . -60.60 -18.60 . . . A . 328 ARG N . . A . 328 ARG CA . . A . 328 ARG C . . A . 329 GLU N . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . . . . 41 . N . . c16510_2ke1 1 63 . . 1 1 41 41 GLU N N . . 1 1 41 41 GLU CA C . . 1 1 41 41 GLU C C . . 1 1 42 42 ILE N N . 139.69 181.69 . . . A . 329 GLU N . . A . 329 GLU CA . . A . 329 GLU C . . A . 330 ILE N . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . . . . 42 . N . . c16510_2ke1 1 64 . . 1 1 42 42 ILE N N . . 1 1 42 42 ILE CA C . . 1 1 42 42 ILE C C . . 1 1 43 43 PRO N N . 99.32 141.32 . . . A . 330 ILE N . . A . 330 ILE CA . . A . 330 ILE C . . A . 331 PRO N . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . . . . 43 . N . . c16510_2ke1 1 65 . . 1 1 43 43 PRO N N . . 1 1 43 43 PRO CA C . . 1 1 43 43 PRO C C . . 1 1 44 44 SER N N . 110.29 172.29 . . . A . 331 PRO N . . A . 331 PRO CA . . A . 331 PRO C . . A . 332 SER N . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . . . . 44 . N . . c16510_2ke1 1 66 . . 1 1 45 45 GLY N N . . 1 1 45 45 GLY CA C . . 1 1 45 45 GLY C C . . 1 1 46 46 THR N N . -173.64 -111.64 . . . A . 333 GLY N . . A . 333 GLY CA . . A . 333 GLY C . . A . 334 THR N . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . . . . 46 . N . . c16510_2ke1 1 67 . . 1 1 46 46 THR N N . . 1 1 46 46 THR CA C . . 1 1 46 46 THR C C . . 1 1 47 47 TRP N N . 74.20 136.20 . . . A . 334 THR N . . A . 334 THR CA . . A . 334 THR C . . A . 335 TRP N . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . . . . 47 . N . . c16510_2ke1 1 68 . . 1 1 47 47 TRP N N . . 1 1 47 47 TRP CA C . . 1 1 47 47 TRP C C . . 1 1 48 48 ARG N N . 128.22 150.22 . . . A . 335 TRP N . . A . 335 TRP CA . . A . 335 TRP C . . A . 336 ARG N . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . . . . 48 . N . . c16510_2ke1 1 69 . . 1 1 48 48 ARG N N . . 1 1 48 48 ARG CA C . . 1 1 48 48 ARG C C . . 1 1 49 49 CYS N N . 120.09 142.09 . . . A . 336 ARG N . . A . 336 ARG CA . . A . 336 ARG C . . A . 337 CYS N . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . . . . 49 . N . . c16510_2ke1 1 70 . . 1 1 49 49 CYS N N . . 1 1 49 49 CYS CA C . . 1 1 49 49 CYS C C . . 1 1 50 50 SER N N . -186.51 -164.51 . . . A . 337 CYS N . . A . 337 CYS CA . . A . 337 CYS C . . A . 338 SER N . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . . . . 50 . N . . c16510_2ke1 1 71 . . 1 1 50 50 SER N N . . 1 1 50 50 SER CA C . . 1 1 50 50 SER C C . . 1 1 51 51 SER N N . -46.81 -35.81 . . . A . 338 SER N . . A . 338 SER CA . . A . 338 SER C . . A . 339 SER N . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . . . . 51 . N . . c16510_2ke1 1 72 . . 1 1 51 51 SER N N . . 1 1 51 51 SER CA C . . 1 1 51 51 SER C C . . 1 1 52 52 CYS N N . -54.19 -43.19 . . . A . 339 SER N . . A . 339 SER CA . . A . 339 SER C . . A . 340 CYS N . . . 51 . N . . . . . 51 . CA . . . . . 51 . C . . . . . 52 . N . . c16510_2ke1 1 73 . . 1 1 52 52 CYS N N . . 1 1 52 52 CYS CA C . . 1 1 52 52 CYS C C . . 1 1 53 53 LEU N N . -54.47 -43.47 . . . A . 340 CYS N . . A . 340 CYS CA . . A . 340 CYS C . . A . 341 LEU N . . . 52 . N . . . . . 52 . CA . . . . . 52 . C . . . . . 53 . N . . c16510_2ke1 1 74 . . 1 1 53 53 LEU N N . . 1 1 53 53 LEU CA C . . 1 1 53 53 LEU C C . . 1 1 54 54 GLN N N . -52.43 -10.43 . . . A . 341 LEU N . . A . 341 LEU CA . . A . 341 LEU C . . A . 342 GLN N . . . 53 . N . . . . . 53 . CA . . . . . 53 . C . . . . . 54 . N . . c16510_2ke1 1 75 . . 1 1 54 54 GLN N N . . 1 1 54 54 GLN CA C . . 1 1 54 54 GLN C C . . 1 1 55 55 ALA N N . -37.36 24.64 . . . A . 342 GLN N . . A . 342 GLN CA . . A . 342 GLN C . . A . 343 ALA N . . . 54 . N . . . . . 54 . CA . . . . . 54 . C . . . . . 55 . N . . c16510_2ke1 1 76 . . 1 1 55 55 ALA N N . . 1 1 55 55 ALA CA C . . 1 1 55 55 ALA C C . . 1 1 56 56 THR N N . -14.37 67.63 . . . A . 343 ALA N . . A . 343 ALA CA . . A . 343 ALA C . . A . 344 THR N . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . . . . 56 . N . . c16510_2ke1 1 77 . . 1 1 19 19 GLU C C . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU C C . -150.00 -90.00 . . . A . 307 GLU C . . A . 308 LEU N . . A . 308 LEU CA . . A . 308 LEU C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . c16510_2ke1 1 78 . . 1 1 20 20 LEU C C . . 1 1 21 21 ILE N N . . 1 1 21 21 ILE CA C . . 1 1 21 21 ILE C C . -150.00 -90.00 . . . A . 308 LEU C . . A . 309 ILE N . . A . 309 ILE CA . . A . 309 ILE C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . c16510_2ke1 1 79 . . 1 1 21 21 ILE C C . . 1 1 22 22 CYS N N . . 1 1 22 22 CYS CA C . . 1 1 22 22 CYS C C . -150.00 -90.00 . . . A . 309 ILE C . . A . 310 CYS N . . A . 310 CYS CA . . A . 310 CYS C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . c16510_2ke1 1 80 . . 1 1 28 28 ARG C C . . 1 1 29 29 ALA N N . . 1 1 29 29 ALA CA C . . 1 1 29 29 ALA C C . -150.00 -90.00 . . . A . 316 ARG C . . A . 317 ALA N . . A . 317 ALA CA . . A . 317 ALA C . . . 28 . C . . . . . 29 . N . . . . . 29 . CA . . . . . 29 . C . . c16510_2ke1 1 81 . . 1 1 29 29 ALA C C . . 1 1 30 30 PHE N N . . 1 1 30 30 PHE CA C . . 1 1 30 30 PHE C C . -150.00 -90.00 . . . A . 317 ALA C . . A . 318 PHE N . . A . 318 PHE CA . . A . 318 PHE C . . . 29 . C . . . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . c16510_2ke1 1 82 . . 1 1 31 31 HIS C C . . 1 1 32 32 LEU N N . . 1 1 32 32 LEU CA C . . 1 1 32 32 LEU C C . -90.00 -30.00 . . . A . 319 HIS C . . A . 320 LEU N . . A . 320 LEU CA . . A . 320 LEU C . . . 31 . C . . . . . 32 . N . . . . . 32 . CA . . . . . 32 . C . . c16510_2ke1 1 83 . . 1 1 32 32 LEU C C . . 1 1 33 33 ALA N N . . 1 1 33 33 ALA CA C . . 1 1 33 33 ALA C C . -90.00 -30.00 . . . A . 320 LEU C . . A . 321 ALA N . . A . 321 ALA CA . . A . 321 ALA C . . . 32 . C . . . . . 33 . N . . . . . 33 . CA . . . . . 33 . C . . c16510_2ke1 1 84 . . 1 1 49 49 CYS C C . . 1 1 50 50 SER N N . . 1 1 50 50 SER CA C . . 1 1 50 50 SER C C . -90.00 -30.00 . . . A . 337 CYS C . . A . 338 SER N . . A . 338 SER CA . . A . 338 SER C . . . 49 . C . . . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . c16510_2ke1 1 85 . . 1 1 9 9 ASP N N . . 1 1 9 9 ASP CA C . . 1 1 9 9 ASP CB C . . 1 1 9 9 ASP CG C . -100.00 -20.00 . . . A . 297 ASP N . . A . 297 ASP CA . . A . 297 ASP CB . . A . 297 ASP CG . . . 9 . N . . . . . 9 . CA . . . . . 9 . CB . . . . . 9 . CG . . c16510_2ke1 1 86 . . 1 1 24 24 ASP N N . . 1 1 24 24 ASP CA C . . 1 1 24 24 ASP CB C . . 1 1 24 24 ASP CG C . 140.00 220.00 . . . A . 312 ASP N . . A . 312 ASP CA . . A . 312 ASP CB . . A . 312 ASP CG . . . 24 . N . . . . . 24 . CA . . . . . 24 . CB . . . . . 24 . CG . . c16510_2ke1 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; PREDITOR PHI using 1 times the preditor error! 6 K TALOS PHI = -110.00 +/- 26.00 ; 1 1 4 42 c16510_2ke1 1 2 '7 N TALOS PHI = -140.00 +/- 25.00' 8 1 8 42 c16510_2ke1 1 3 '8 E PREDITOR PHI = -80.31 +/- 31.00' 12 1 12 44 c16510_2ke1 1 4 '9 D PREDITOR PHI = -100.85 +/- 31.00' 16 1 16 45 c16510_2ke1 1 5 '10 E PREDITOR PHI = -134.37 +/- 21.00' 20 1 20 45 c16510_2ke1 1 6 '11 C PREDITOR PHI = -66.58 +/- 21.00' 24 1 24 44 c16510_2ke1 1 7 '14 C PREDITOR PHI = -115.58 +/- 21.00' 28 1 28 45 c16510_2ke1 1 8 '16 D PREDITOR PHI = -104.67 +/- 31.00' 32 1 32 45 c16510_2ke1 1 9 '23 C PREDITOR PHI = -62.87 +/- 11.00' 36 1 36 44 c16510_2ke1 1 10 '24 D PREDITOR PHI = -52.62 +/- 5.50' 40 1 40 44 c16510_2ke1 1 11 '26 C PREDITOR PHI = -114.82 +/- 21.00' 44 1 44 45 c16510_2ke1 1 12 '27 P PREDITOR PHI = -57.80 +/- 21.00' 48 1 48 44 c16510_2ke1 1 13 '28 R PREDITOR PHI = -56.80 +/- 21.00' 52 1 52 44 c16510_2ke1 1 14 '31 H PREDITOR PHI = -97.97 +/- 11.00' 56 1 56 44 c16510_2ke1 1 15 '34 C PREDITOR PHI = -73.18 +/- 21.00' 60 1 60 44 c16510_2ke1 1 16 '35 L PREDITOR PHI = -62.73 +/- 21.00' 64 1 64 44 c16510_2ke1 1 17 '36 S PREDITOR PHI = -127.34 +/- 11.00' 68 1 68 45 c16510_2ke1 1 18 '37 P PREDITOR PHI = -75.31 +/- 21.00' 72 1 72 44 c16510_2ke1 1 19 '38 P PREDITOR PHI = -69.15 +/- 21.00' 76 1 76 44 c16510_2ke1 1 20 '39 L PREDITOR PHI = -88.59 +/- 31.00' 80 1 80 44 c16510_2ke1 1 21 '40 R PREDITOR PHI = -78.79 +/- 21.00' 84 1 84 44 c16510_2ke1 1 22 '41 E PREDITOR PHI = -139.27 +/- 21.00' 88 1 88 45 c16510_2ke1 1 23 '42 I PREDITOR PHI = -74.06 +/- 21.00' 92 1 92 44 c16510_2ke1 1 24 '43 P PREDITOR PHI = -77.02 +/- 31.00' 96 1 96 44 c16510_2ke1 1 25 '45 G PREDITOR PHI = 174.42 +/- 31.00' 100 1 100 44 c16510_2ke1 1 26 '46 T PREDITOR PHI = -98.20 +/- 31.00' 104 1 104 44 c16510_2ke1 1 27 '47 W PREDITOR PHI = -96.13 +/- 11.00' 108 1 108 44 c16510_2ke1 1 28 '48 R PREDITOR PHI = -124.98 +/- 11.00' 112 1 112 45 c16510_2ke1 1 29 '49 C PREDITOR PHI = -78.52 +/- 11.00' 116 1 116 44 c16510_2ke1 1 30 '51 S PREDITOR PHI = -54.71 +/- 5.50' 120 1 120 44 c16510_2ke1 1 31 '52 C PREDITOR PHI = -59.91 +/- 5.50' 124 1 124 44 c16510_2ke1 1 32 '53 L PREDITOR PHI = -62.41 +/- 21.00' 128 1 128 44 c16510_2ke1 1 33 '54 Q PREDITOR PHI = -85.23 +/- 31.00' 132 1 132 44 c16510_2ke1 1 34 '55 A PREDITOR PHI = -95.11 +/- 41.00' 136 1 136 44 c16510_2ke1 1 35 ; PREDITOR PSI using 1 times the preditor error! 6 K TALOS PSI = 124.00 +/- 19.00 ; 140 1 145 41 c16510_2ke1 1 36 '7 N TALOS PSI = 156.00 +/- 13.00' 149 1 149 39 c16510_2ke1 1 37 '8 E PREDITOR PSI = 131.14 +/- 31.00' 153 1 153 44 c16510_2ke1 1 38 '9 D PREDITOR PSI = 32.09 +/- 31.00' 157 1 157 43 c16510_2ke1 1 39 '10 E PREDITOR PSI = 134.29 +/- 21.00' 161 1 161 44 c16510_2ke1 1 40 '11 C PREDITOR PSI = 160.39 +/- 21.00' 165 1 165 44 c16510_2ke1 1 41 '14 C PREDITOR PSI = 8.73 +/- 21.00' 169 1 169 43 c16510_2ke1 1 42 '16 D PREDITOR PSI = 157.09 +/- 31.00' 173 1 173 44 c16510_2ke1 1 43 '20 L PREDITOR PSI = 149.51 +/- 11.00' 177 1 177 44 c16510_2ke1 1 44 '21 I PREDITOR PSI = 112.40 +/- 11.00' 181 1 181 44 c16510_2ke1 1 45 '22 C PREDITOR PSI = 135.85 +/- 11.00' 185 1 185 44 c16510_2ke1 1 46 '23 C PREDITOR PSI = 152.48 +/- 11.00' 189 1 189 44 c16510_2ke1 1 47 '24 D PREDITOR PSI = -75.18 +/- 5.50' 193 1 193 44 c16510_2ke1 1 48 '26 C PREDITOR PSI = 110.43 +/- 21.00' 197 1 197 44 c16510_2ke1 1 49 '27 P PREDITOR PSI = -17.17 +/- 21.00' 201 1 201 44 c16510_2ke1 1 50 '28 R PREDITOR PSI = 143.08 +/- 21.00' 205 1 205 44 c16510_2ke1 1 51 '29 A PREDITOR PSI = 151.37 +/- 11.00' 209 1 209 44 c16510_2ke1 1 52 '30 F PREDITOR PSI = 164.03 +/- 11.00' 213 1 213 44 c16510_2ke1 1 53 '31 H PREDITOR PSI = 157.44 +/- 11.00' 217 1 217 44 c16510_2ke1 1 54 '32 L PREDITOR PSI = -57.50 +/- 5.50' 221 1 221 44 c16510_2ke1 1 55 '33 A PREDITOR PSI = -23.84 +/- 15.50' 225 1 225 44 c16510_2ke1 1 56 '34 C PREDITOR PSI = -35.86 +/- 21.00' 229 1 229 44 c16510_2ke1 1 57 '35 L PREDITOR PSI = 146.88 +/- 21.00' 233 1 233 44 c16510_2ke1 1 58 '36 S PREDITOR PSI = 109.32 +/- 11.00' 237 1 237 44 c16510_2ke1 1 59 '37 P PREDITOR PSI = 150.76 +/- 21.00' 241 1 241 44 c16510_2ke1 1 60 '38 P PREDITOR PSI = 145.64 +/- 21.00' 245 1 245 44 c16510_2ke1 1 61 '39 L PREDITOR PSI = 137.27 +/- 31.00' 249 1 249 44 c16510_2ke1 1 62 '40 R PREDITOR PSI = -39.60 +/- 21.00' 253 1 253 44 c16510_2ke1 1 63 '41 E PREDITOR PSI = 160.69 +/- 21.00' 257 1 257 44 c16510_2ke1 1 64 '42 I PREDITOR PSI = 120.32 +/- 21.00' 261 1 261 44 c16510_2ke1 1 65 '43 P PREDITOR PSI = 141.29 +/- 31.00' 265 1 265 44 c16510_2ke1 1 66 '45 G PREDITOR PSI = -142.64 +/- 31.00' 269 1 269 45 c16510_2ke1 1 67 '46 T PREDITOR PSI = 105.20 +/- 31.00' 273 1 273 44 c16510_2ke1 1 68 '47 W PREDITOR PSI = 139.22 +/- 11.00' 277 1 277 44 c16510_2ke1 1 69 '48 R PREDITOR PSI = 131.09 +/- 11.00' 281 1 281 44 c16510_2ke1 1 70 '49 C PREDITOR PSI = -175.51 +/- 11.00' 285 1 285 45 c16510_2ke1 1 71 '50 S PREDITOR PSI = -41.31 +/- 5.50' 289 1 289 44 c16510_2ke1 1 72 '51 S PREDITOR PSI = -48.69 +/- 5.50' 293 1 293 44 c16510_2ke1 1 73 '52 C PREDITOR PSI = -48.97 +/- 5.50' 297 1 297 44 c16510_2ke1 1 74 '53 L PREDITOR PSI = -31.43 +/- 21.00' 301 1 301 44 c16510_2ke1 1 75 '54 Q PREDITOR PSI = -6.36 +/- 31.00' 305 1 305 43 c16510_2ke1 1 76 '55 A PREDITOR PSI = 26.63 +/- 41.00' 309 1 309 43 c16510_2ke1 1 77 ; J-COUPLING DERIVED 20 L J=13.148 +/- 2.63 ; 314 1 316 34 c16510_2ke1 1 78 '21 J=12.967 +/- 2.59' 320 1 320 34 c16510_2ke1 1 79 '22 J=9.358 +/- 1.87' 324 1 324 34 c16510_2ke1 1 80 '29 J=10.438 +/- 2.09' 328 1 328 34 c16510_2ke1 1 81 '30 J=11.411 +/- 2.28' 332 1 332 34 c16510_2ke1 1 82 '32 J=1.372 +/- 0.27' 336 1 336 34 c16510_2ke1 1 83 '33 J=4.173 +/- 0.83' 340 1 340 33 c16510_2ke1 1 84 '50 J=0.675 +/- 0.14' 344 1 344 34 c16510_2ke1 1 85 ; CHI-predito fra 9 D PREDITOR CHI ; 348 1 350 29 c16510_2ke1 1 86 ; CHI 3J derived 24 GLU 3J(N,CG) trans ; 355 1 357 31 c16510_2ke1 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_11 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_11 _RDC_constraint_list.Entry_ID c16510_2ke1 _RDC_constraint_list.ID 1 _RDC_constraint_list.Details 'Generated by Wattos' _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 11 loop_ _RDC_constraint_software.Software_ID _RDC_constraint_software.Software_label _RDC_constraint_software.Method_ID _RDC_constraint_software.Method_label _RDC_constraint_software.Entry_ID _RDC_constraint_software.RDC_constraint_list_ID . . . . c16510_2ke1 1 stop_ loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Atom_type_1 _RDC_constraint.Atom_isotope_number_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Atom_type_2 _RDC_constraint.Atom_isotope_number_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.RDC_val_scale_factor _RDC_constraint.RDC_bond_length _RDC_constraint.Source_experiment_ID _RDC_constraint.PDB_record_ID_1 _RDC_constraint.PDB_model_num_1 _RDC_constraint.PDB_strand_ID_1 _RDC_constraint.PDB_ins_code_1 _RDC_constraint.PDB_residue_no_1 _RDC_constraint.PDB_residue_name_1 _RDC_constraint.PDB_atom_name_1 _RDC_constraint.PDB_record_ID_2 _RDC_constraint.PDB_model_num_2 _RDC_constraint.PDB_strand_ID_2 _RDC_constraint.PDB_ins_code_2 _RDC_constraint.PDB_residue_no_2 _RDC_constraint.PDB_residue_name_2 _RDC_constraint.PDB_atom_name_2 _RDC_constraint.Auth_entity_assembly_ID_1 _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_chain_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_alt_ID_1 _RDC_constraint.Auth_atom_name_1 _RDC_constraint.Auth_entity_assembly_ID_2 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_chain_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Auth_alt_ID_2 _RDC_constraint.Auth_atom_name_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . 1 1 32 32 LEU N N . . . 1 1 32 32 LEU H H . . -6.093 . . . . . . . . A . 320 LEU N . . A . 320 LEU H . . . 32 . N . . . . . 32 . HN . . c16510_2ke1 1 2 . 1 1 33 33 ALA N N . . . 1 1 33 33 ALA H H . . -5.197 . . . . . . . . A . 321 ALA N . . A . 321 ALA H . . . 33 . N . . . . . 33 . HN . . c16510_2ke1 1 3 . 1 1 21 21 ILE N N . . . 1 1 21 21 ILE H H . . 3.661 . . . . . . . . A . 309 ILE N . . A . 309 ILE H . . . 21 . N . . . . . 21 . HN . . c16510_2ke1 1 4 . 1 1 63 63 ARG N N . . . 1 1 63 63 ARG H H . . 2.412 . . . . . . . . A . 351 ARG N . . A . 351 ARG H . . . 63 . N . . . . . 63 . HN . . c16510_2ke1 1 5 . 1 1 7 7 ASN N N . . . 1 1 7 7 ASN H H . . -2.053 . . . . . . . . A . 295 ASN N . . A . 295 ASN H . . . 7 . N . . . . . 7 . HN . . c16510_2ke1 1 6 . 1 1 26 26 CYS N N . . . 1 1 26 26 CYS H H . . -1.393 . . . . . . . . A . 314 CYS N . . A . 314 CYS H . . . 26 . N . . . . . 26 . HN . . c16510_2ke1 1 7 . 1 1 30 30 PHE N N . . . 1 1 30 30 PHE H H . . 1.481 . . . . . . . . A . 318 PHE N . . A . 318 PHE H . . . 30 . N . . . . . 30 . HN . . c16510_2ke1 1 8 . 1 1 16 16 ASP N N . . . 1 1 16 16 ASP H H . . -0.180 . . . . . . . . A . 304 ASP N . . A . 304 ASP H . . . 16 . N . . . . . 16 . HN . . c16510_2ke1 1 9 . 1 1 44 44 SER N N . . . 1 1 44 44 SER H H . . 3.758 . . . . . . . . A . 332 SER N . . A . 332 SER H . . . 44 . N . . . . . 44 . HN . . c16510_2ke1 1 10 . 1 1 55 55 ALA N N . . . 1 1 55 55 ALA H H . . -4.666 . . . . . . . . A . 343 ALA N . . A . 343 ALA H . . . 55 . N . . . . . 55 . HN . . c16510_2ke1 1 11 . 1 1 28 28 ARG N N . . . 1 1 28 28 ARG H H . . -11.846 . . . . . . . . A . 316 ARG N . . A . 316 ARG H . . . 28 . N . . . . . 28 . HN . . c16510_2ke1 1 12 . 1 1 57 57 VAL N N . . . 1 1 57 57 VAL H H . . 1.222 . . . . . . . . A . 345 VAL N . . A . 345 VAL H . . . 57 . N . . . . . 57 . HN . . c16510_2ke1 1 13 . 1 1 40 40 ARG N N . . . 1 1 40 40 ARG H H . . -6.972 . . . . . . . . A . 328 ARG N . . A . 328 ARG H . . . 40 . N . . . . . 40 . HN . . c16510_2ke1 1 14 . 1 1 61 61 GLN N N . . . 1 1 61 61 GLN H H . . 3.859 . . . . . . . . A . 349 GLN N . . A . 349 GLN H . . . 61 . N . . . . . 61 . HN . . c16510_2ke1 1 15 . 1 1 20 20 LEU N N . . . 1 1 20 20 LEU H H . . 4.888 . . . . . . . . A . 308 LEU N . . A . 308 LEU H . . . 20 . N . . . . . 20 . HN . . c16510_2ke1 1 16 . 1 1 14 14 CYS N N . . . 1 1 14 14 CYS H H . . 2.484 . . . . . . . . A . 302 CYS N . . A . 302 CYS H . . . 14 . N . . . . . 14 . HN . . c16510_2ke1 1 17 . 1 1 59 59 GLU N N . . . 1 1 59 59 GLU H H . . 3.099 . . . . . . . . A . 347 GLU N . . A . 347 GLU H . . . 59 . N . . . . . 59 . HN . . c16510_2ke1 1 18 . 1 1 49 49 CYS N N . . . 1 1 49 49 CYS H H . . 9.629 . . . . . . . . A . 337 CYS N . . A . 337 CYS H . . . 49 . N . . . . . 49 . HN . . c16510_2ke1 1 19 . 1 1 24 24 ASP N N . . . 1 1 24 24 ASP H H . . 8.662 . . . . . . . . A . 312 ASP N . . A . 312 ASP H . . . 24 . N . . . . . 24 . HN . . c16510_2ke1 1 20 . 1 1 10 10 GLU N N . . . 1 1 10 10 GLU H H . . -9.769 . . . . . . . . A . 298 GLU N . . A . 298 GLU H . . . 10 . N . . . . . 10 . HN . . c16510_2ke1 1 21 . 1 1 31 31 HIS N N . . . 1 1 31 31 HIS H H . . 1.538 . . . . . . . . A . 319 HIS N . . A . 319 HIS H . . . 31 . N . . . . . 31 . HN . . c16510_2ke1 1 22 . 1 1 35 35 LEU N N . . . 1 1 35 35 LEU H H . . -1.241 . . . . . . . . A . 323 LEU N . . A . 323 LEU H . . . 35 . N . . . . . 35 . HN . . c16510_2ke1 1 23 . 1 1 11 11 CYS N N . . . 1 1 11 11 CYS H H . . -11.172 . . . . . . . . A . 299 CYS N . . A . 299 CYS H . . . 11 . N . . . . . 11 . HN . . c16510_2ke1 1 24 . 1 1 53 53 LEU N N . . . 1 1 53 53 LEU H H . . -8.113 . . . . . . . . A . 341 LEU N . . A . 341 LEU H . . . 53 . N . . . . . 53 . HN . . c16510_2ke1 1 25 . 1 1 48 48 ARG N N . . . 1 1 48 48 ARG H H . . 7.839 . . . . . . . . A . 336 ARG N . . A . 336 ARG H . . . 48 . N . . . . . 48 . HN . . c16510_2ke1 1 26 . 1 1 22 22 CYS N N . . . 1 1 22 22 CYS H H . . 1.234 . . . . . . . . A . 310 CYS N . . A . 310 CYS H . . . 22 . N . . . . . 22 . HN . . c16510_2ke1 1 27 . 1 1 42 42 ILE N N . . . 1 1 42 42 ILE H H . . -9.046 . . . . . . . . A . 330 ILE N . . A . 330 ILE H . . . 42 . N . . . . . 42 . HN . . c16510_2ke1 1 28 . 1 1 46 46 THR N N . . . 1 1 46 46 THR H H . . -3.894 . . . . . . . . A . 334 THR N . . A . 334 THR H . . . 46 . N . . . . . 46 . HN . . c16510_2ke1 1 29 . 1 1 13 13 VAL N N . . . 1 1 13 13 VAL H H . . 0.819 . . . . . . . . A . 301 VAL N . . A . 301 VAL H . . . 13 . N . . . . . 13 . HN . . c16510_2ke1 1 30 . 1 1 23 23 CYS N N . . . 1 1 23 23 CYS H H . . 1.131 . . . . . . . . A . 311 CYS N . . A . 311 CYS H . . . 23 . N . . . . . 23 . HN . . c16510_2ke1 1 31 . 1 1 65 65 GLU N N . . . 1 1 65 65 GLU H H . . 2.882 . . . . . . . . A . 353 GLU N . . A . 353 GLU H . . . 65 . N . . . . . 65 . HN . . c16510_2ke1 1 32 . 1 1 29 29 ALA N N . . . 1 1 29 29 ALA H H . . -4.486 . . . . . . . . A . 317 ALA N . . A . 317 ALA H . . . 29 . N . . . . . 29 . HN . . c16510_2ke1 1 33 . 1 1 6 6 LYS N N . . . 1 1 6 6 LYS H H . . -0.805 . . . . . . . . A . 294 LYS N . . A . 294 LYS H . . . 6 . N . . . . . 6 . HN . . c16510_2ke1 1 34 . 1 1 50 50 SER N N . . . 1 1 50 50 SER H H . . -9.029 . . . . . . . . A . 338 SER N . . A . 338 SER H . . . 50 . N . . . . . 50 . HN . . c16510_2ke1 1 35 . 1 1 39 39 LEU N N . . . 1 1 39 39 LEU H H . . 2.078 . . . . . . . . A . 327 LEU N . . A . 327 LEU H . . . 39 . N . . . . . 39 . HN . . c16510_2ke1 1 36 . 1 1 64 64 ALA N N . . . 1 1 64 64 ALA H H . . 2.815 . . . . . . . . A . 352 ALA N . . A . 352 ALA H . . . 64 . N . . . . . 64 . HN . . c16510_2ke1 1 37 . 1 1 3 3 MET N N . . . 1 1 3 3 MET H H . . -0.192 . . . . . . . . A . 291 MET N . . A . 291 MET H . . . 3 . N . . . . . 3 . HN . . c16510_2ke1 1 38 . 1 1 36 36 SER N N . . . 1 1 36 36 SER H H . . 1.940 . . . . . . . . A . 324 SER N . . A . 324 SER H . . . 36 . N . . . . . 36 . HN . . c16510_2ke1 1 39 . 1 1 41 41 GLU N N . . . 1 1 41 41 GLU H H . . -8.727 . . . . . . . . A . 329 GLU N . . A . 329 GLU H . . . 41 . N . . . . . 41 . HN . . c16510_2ke1 1 40 . 1 1 12 12 ALA N N . . . 1 1 12 12 ALA H H . . -1.277 . . . . . . . . A . 300 ALA N . . A . 300 ALA H . . . 12 . N . . . . . 12 . HN . . c16510_2ke1 1 41 . 1 1 47 47 TRP N N . . . 1 1 47 47 TRP H H . . 2.009 . . . . . . . . A . 335 TRP N . . A . 335 TRP H . . . 47 . N . . . . . 47 . HN . . c16510_2ke1 1 42 . 1 1 15 15 ARG N N . . . 1 1 15 15 ARG H H . . -7.799 . . . . . . . . A . 303 ARG N . . A . 303 ARG H . . . 15 . N . . . . . 15 . HN . . c16510_2ke1 1 43 . 1 1 8 8 GLU N N . . . 1 1 8 8 GLU H H . . -3.742 . . . . . . . . A . 296 GLU N . . A . 296 GLU H . . . 8 . N . . . . . 8 . HN . . c16510_2ke1 1 44 . 1 1 52 52 CYS N N . . . 1 1 52 52 CYS H H . . -11.684 . . . . . . . . A . 340 CYS N . . A . 340 CYS H . . . 52 . N . . . . . 52 . HN . . c16510_2ke1 1 45 . 1 1 60 60 VAL N N . . . 1 1 60 60 VAL H H . . 3.691 . . . . . . . . A . 348 VAL N . . A . 348 VAL H . . . 60 . N . . . . . 60 . HN . . c16510_2ke1 1 46 . 1 1 4 4 ALA N N . . . 1 1 4 4 ALA H H . . -1.767 . . . . . . . . A . 292 ALA N . . A . 292 ALA H . . . 4 . N . . . . . 4 . HN . . c16510_2ke1 1 47 . 1 1 34 34 CYS N N . . . 1 1 34 34 CYS H H . . 6.156 . . . . . . . . A . 322 CYS N . . A . 322 CYS H . . . 34 . N . . . . . 34 . HN . . c16510_2ke1 1 48 . 1 1 56 56 THR N N . . . 1 1 56 56 THR H H . . 0.431 . . . . . . . . A . 344 THR N . . A . 344 THR H . . . 56 . N . . . . . 56 . HN . . c16510_2ke1 1 49 . 1 1 45 45 GLY N N . . . 1 1 45 45 GLY H H . . -1.271 . . . . . . . . A . 333 GLY N . . A . 333 GLY H . . . 45 . N . . . . . 45 . HN . . c16510_2ke1 1 50 . 1 1 66 66 GLU N N . . . 1 1 66 66 GLU H H . . 0.327 . . . . . . . . A . 354 GLU N . . A . 354 GLU H . . . 66 . N . . . . . 66 . HN . . c16510_2ke1 1 51 . 1 1 19 19 GLU N N . . . 1 1 19 19 GLU H H . . 4.778 . . . . . . . . A . 307 GLU N . . A . 307 GLU H . . . 19 . N . . . . . 19 . HN . . c16510_2ke1 1 52 . 1 1 5 5 GLN N N . . . 1 1 5 5 GLN H H . . -0.569 . . . . . . . . A . 293 GLN N . . A . 293 GLN H . . . 5 . N . . . . . 5 . HN . . c16510_2ke1 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16510_2ke1 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; *HEADER GENE REGULATION 22-JAN-09 2KE1 *TITLE MOLECULAR BASIS OF NON-MODIFIED HISTONE H3 TAIL RECOGNITION *TITLE 2 BY THE FIRST PHD FINGER OF AUTOIMMUNE REGULATOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: AUTOIMMUNE REGULATOR; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: FIRST PHD DOMAIN, UNP RESIDUES 293-354; *COMPND 5 SYNONYM: AUTOIMMUNE POLYENDOCRINOPATHY CANDIDIASIS *COMPND 6 ECTODERMAL DYSTROPHY PROTEIN, APECED PROTEIN; *COMPND 7 ENGINEERED: YES; *COMPND 8 MOL_ID: 2; *COMPND 9 MOLECULE: H3K4ME0; *COMPND 10 CHAIN: B; *COMPND 11 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 ORGANISM_TAXID: 9606; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR: MODIFIED PET24D; *SOURCE 10 MOL_ID: 2; *SOURCE 11 SYNTHETIC: YES; *SOURCE 12 OTHER_DETAILS: SYNTHESIZED PEPTIDE *KEYWDS AIRE, PHD FINGER, HISTONE H3, DISEASE MUTATION, METAL- *KEYWDS 2 BINDING, NUCLEUS, TRANSCRIPTION, TRANSCRIPTION REGULATION, *KEYWDS 3 ZINC, ZINC-FINGER, GENE REGULATION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR F.CHIGNOLA, M.GAETANI, A.REBANE, T.ORG, L.MOLLICA, *AUTHOR 2 C.ZUCCHELLI, A.SPITALERI, V.MANNELLA, P.PETERSON, G.MUSCO *REVDAT 1 26-MAY-09 2KE1 0 Name of the file with the following constraints: unambig.tbl Software file format: ARIA General type of constraint: distance Specific type of constraint: NOE Ambiguous constraints of this kind present: Number of constraints of this kind in the file: 1021 ; save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_framecode MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16510_2ke1 _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; Name of the file with the following constraints: dihedrals.tbl Software file format: ARIA General type of constraint: protein dihedral angle Specific type of constraint: Ambiguous constraints of this kind present: Number of constraints of this kind in the file: 86 ; save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_framecode MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16510_2ke1 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; Name of the file with the following constraints: ambig.tbl Software file format: ARIA General type of constraint: distance Specific type of constraint: NOE Ambiguous constraints of this kind present: ambi Number of constraints of this kind in the file: 191 ; save_ save_MR_file_comment_10 _Org_constr_file_comment.Sf_framecode MR_file_comment_10 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16510_2ke1 _Org_constr_file_comment.ID 5 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 10 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; Name of the file with the following constraints: rdc.tbl Software file format: ARIA General type of constraint: dipolar coupling Specific type of constraint: Ambiguous constraints of this kind present: Number of constraints of this kind in the file: 52 ; save_ save_MR_file_comment_8 _Org_constr_file_comment.Sf_framecode MR_file_comment_8 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16510_2ke1 _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 8 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; Name of the file with the following constraints: hbonds.tbl Software file format: ARIA General type of constraint: distance Specific type of constraint: hydrogen bond Ambiguous constraints of this kind present: Number of constraints of this kind in the file: 16 ; save_