data_17849 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17849 _Entry.Title ; Solution structure of Ca2+-bound yCaM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-10 _Entry.Accession_date 2011-08-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Kenji Ogura . . . 17849 2 Kiyohiro Takahashi . . . 17849 3 Yoshihiro Kobashigawa . . . 17849 4 Ryosuke Yoshida . . . 17849 5 Hiroyuki Itoh . . . 17849 6 Michio Yazawa . . . 17849 7 Fuyuhiko Inagaki . . . 17849 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17849 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID calmodulin . 17849 yeast . 17849 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17849 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 511 17849 '15N chemical shifts' 130 17849 '1H chemical shifts' 833 17849 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-08-10 update BMRB 'update entry citation' 17849 1 . . 2012-02-01 2011-08-10 original author 'original release' 17849 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17850 yCaM 17849 PDB 2LHH 'BMRB Entry Tracking System' 17849 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17849 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22280008 _Citation.Full_citation . _Citation.Title 'Solution structures of yeast Saccharomyces cerevisiae calmodulin in calcium- and target peptide-bound states reveal similarities and differences to vertebrate calmodulin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Cells' _Citation.Journal_name_full 'Genes to cells : devoted to molecular & cellular mechanisms' _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 159 _Citation.Page_last 172 _Citation.Year 2012 _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 Kenji Ogura . . . 17849 1 2 Hiroyuki Kumeta . . . 17849 1 3 Kiyohiro Takahasi . . . 17849 1 4 Yoshihiro Kobashigawa . . . 17849 1 5 Ryosuke Yoshida . . . 17849 1 6 Hiroyuki Itoh . . . 17849 1 7 Michio Yazawa . . . 17849 1 8 Fuyuhiko Inagaki . . . 17849 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17849 _Assembly.ID 1 _Assembly.Name yCaM_123 _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 yCaM_123 1 $yCaM_123 A . yes native no no . . . 17849 1 2 'CALCIUM ION_1' 2 $CA B . no native no no . . . 17849 1 3 'CALCIUM ION_2' 2 $CA C . no native no no . . . 17849 1 4 'CALCIUM ION_3' 2 $CA D . no native no no . . . 17849 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yCaM_123 _Entity.Sf_category entity _Entity.Sf_framecode yCaM_123 _Entity.Entry_ID 17849 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yCaM_123 _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 ; SSNLTEEQIAEFKEAFALFD KDNNGSISSSELATVMRSLG LSPSEAEVNDLMNEIDVDGN HQIEFSEFLALMSRQLKSND SEQELLEAFKVFDKNGDGLI SAAELKHVLTSIGEKLTDAE LEHHHHHH ; _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 128 _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 14267.737 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 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 PDB 2LHH . "Solution Structure Of Ca2+-Bound Ycam" . . . . . 100.00 128 100.00 100.00 1.38e-83 . . . . 17849 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 1 SER . 17849 1 2 2 SER . 17849 1 3 3 ASN . 17849 1 4 4 LEU . 17849 1 5 5 THR . 17849 1 6 6 GLU . 17849 1 7 7 GLU . 17849 1 8 8 GLN . 17849 1 9 9 ILE . 17849 1 10 10 ALA . 17849 1 11 11 GLU . 17849 1 12 12 PHE . 17849 1 13 13 LYS . 17849 1 14 14 GLU . 17849 1 15 15 ALA . 17849 1 16 16 PHE . 17849 1 17 17 ALA . 17849 1 18 18 LEU . 17849 1 19 19 PHE . 17849 1 20 20 ASP . 17849 1 21 21 LYS . 17849 1 22 22 ASP . 17849 1 23 23 ASN . 17849 1 24 24 ASN . 17849 1 25 25 GLY . 17849 1 26 26 SER . 17849 1 27 27 ILE . 17849 1 28 28 SER . 17849 1 29 29 SER . 17849 1 30 30 SER . 17849 1 31 31 GLU . 17849 1 32 32 LEU . 17849 1 33 33 ALA . 17849 1 34 34 THR . 17849 1 35 35 VAL . 17849 1 36 36 MET . 17849 1 37 37 ARG . 17849 1 38 38 SER . 17849 1 39 39 LEU . 17849 1 40 40 GLY . 17849 1 41 41 LEU . 17849 1 42 42 SER . 17849 1 43 43 PRO . 17849 1 44 44 SER . 17849 1 45 45 GLU . 17849 1 46 46 ALA . 17849 1 47 47 GLU . 17849 1 48 48 VAL . 17849 1 49 49 ASN . 17849 1 50 50 ASP . 17849 1 51 51 LEU . 17849 1 52 52 MET . 17849 1 53 53 ASN . 17849 1 54 54 GLU . 17849 1 55 55 ILE . 17849 1 56 56 ASP . 17849 1 57 57 VAL . 17849 1 58 58 ASP . 17849 1 59 59 GLY . 17849 1 60 60 ASN . 17849 1 61 61 HIS . 17849 1 62 62 GLN . 17849 1 63 63 ILE . 17849 1 64 64 GLU . 17849 1 65 65 PHE . 17849 1 66 66 SER . 17849 1 67 67 GLU . 17849 1 68 68 PHE . 17849 1 69 69 LEU . 17849 1 70 70 ALA . 17849 1 71 71 LEU . 17849 1 72 72 MET . 17849 1 73 73 SER . 17849 1 74 74 ARG . 17849 1 75 75 GLN . 17849 1 76 76 LEU . 17849 1 77 77 LYS . 17849 1 78 78 SER . 17849 1 79 79 ASN . 17849 1 80 80 ASP . 17849 1 81 81 SER . 17849 1 82 82 GLU . 17849 1 83 83 GLN . 17849 1 84 84 GLU . 17849 1 85 85 LEU . 17849 1 86 86 LEU . 17849 1 87 87 GLU . 17849 1 88 88 ALA . 17849 1 89 89 PHE . 17849 1 90 90 LYS . 17849 1 91 91 VAL . 17849 1 92 92 PHE . 17849 1 93 93 ASP . 17849 1 94 94 LYS . 17849 1 95 95 ASN . 17849 1 96 96 GLY . 17849 1 97 97 ASP . 17849 1 98 98 GLY . 17849 1 99 99 LEU . 17849 1 100 100 ILE . 17849 1 101 101 SER . 17849 1 102 102 ALA . 17849 1 103 103 ALA . 17849 1 104 104 GLU . 17849 1 105 105 LEU . 17849 1 106 106 LYS . 17849 1 107 107 HIS . 17849 1 108 108 VAL . 17849 1 109 109 LEU . 17849 1 110 110 THR . 17849 1 111 111 SER . 17849 1 112 112 ILE . 17849 1 113 113 GLY . 17849 1 114 114 GLU . 17849 1 115 115 LYS . 17849 1 116 116 LEU . 17849 1 117 117 THR . 17849 1 118 118 ASP . 17849 1 119 119 ALA . 17849 1 120 120 GLU . 17849 1 121 121 LEU . 17849 1 122 122 GLU . 17849 1 123 123 HIS . 17849 1 124 124 HIS . 17849 1 125 125 HIS . 17849 1 126 126 HIS . 17849 1 127 127 HIS . 17849 1 128 128 HIS . 17849 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 . SER 1 1 17849 1 . SER 2 2 17849 1 . ASN 3 3 17849 1 . LEU 4 4 17849 1 . THR 5 5 17849 1 . GLU 6 6 17849 1 . GLU 7 7 17849 1 . GLN 8 8 17849 1 . ILE 9 9 17849 1 . ALA 10 10 17849 1 . GLU 11 11 17849 1 . PHE 12 12 17849 1 . LYS 13 13 17849 1 . GLU 14 14 17849 1 . ALA 15 15 17849 1 . PHE 16 16 17849 1 . ALA 17 17 17849 1 . LEU 18 18 17849 1 . PHE 19 19 17849 1 . ASP 20 20 17849 1 . LYS 21 21 17849 1 . ASP 22 22 17849 1 . ASN 23 23 17849 1 . ASN 24 24 17849 1 . GLY 25 25 17849 1 . SER 26 26 17849 1 . ILE 27 27 17849 1 . SER 28 28 17849 1 . SER 29 29 17849 1 . SER 30 30 17849 1 . GLU 31 31 17849 1 . LEU 32 32 17849 1 . ALA 33 33 17849 1 . THR 34 34 17849 1 . VAL 35 35 17849 1 . MET 36 36 17849 1 . ARG 37 37 17849 1 . SER 38 38 17849 1 . LEU 39 39 17849 1 . GLY 40 40 17849 1 . LEU 41 41 17849 1 . SER 42 42 17849 1 . PRO 43 43 17849 1 . SER 44 44 17849 1 . GLU 45 45 17849 1 . ALA 46 46 17849 1 . GLU 47 47 17849 1 . VAL 48 48 17849 1 . ASN 49 49 17849 1 . ASP 50 50 17849 1 . LEU 51 51 17849 1 . MET 52 52 17849 1 . ASN 53 53 17849 1 . GLU 54 54 17849 1 . ILE 55 55 17849 1 . ASP 56 56 17849 1 . VAL 57 57 17849 1 . ASP 58 58 17849 1 . GLY 59 59 17849 1 . ASN 60 60 17849 1 . HIS 61 61 17849 1 . GLN 62 62 17849 1 . ILE 63 63 17849 1 . GLU 64 64 17849 1 . PHE 65 65 17849 1 . SER 66 66 17849 1 . GLU 67 67 17849 1 . PHE 68 68 17849 1 . LEU 69 69 17849 1 . ALA 70 70 17849 1 . LEU 71 71 17849 1 . MET 72 72 17849 1 . SER 73 73 17849 1 . ARG 74 74 17849 1 . GLN 75 75 17849 1 . LEU 76 76 17849 1 . LYS 77 77 17849 1 . SER 78 78 17849 1 . ASN 79 79 17849 1 . ASP 80 80 17849 1 . SER 81 81 17849 1 . GLU 82 82 17849 1 . GLN 83 83 17849 1 . GLU 84 84 17849 1 . LEU 85 85 17849 1 . LEU 86 86 17849 1 . GLU 87 87 17849 1 . ALA 88 88 17849 1 . PHE 89 89 17849 1 . LYS 90 90 17849 1 . VAL 91 91 17849 1 . PHE 92 92 17849 1 . ASP 93 93 17849 1 . LYS 94 94 17849 1 . ASN 95 95 17849 1 . GLY 96 96 17849 1 . ASP 97 97 17849 1 . GLY 98 98 17849 1 . LEU 99 99 17849 1 . ILE 100 100 17849 1 . SER 101 101 17849 1 . ALA 102 102 17849 1 . ALA 103 103 17849 1 . GLU 104 104 17849 1 . LEU 105 105 17849 1 . LYS 106 106 17849 1 . HIS 107 107 17849 1 . VAL 108 108 17849 1 . LEU 109 109 17849 1 . THR 110 110 17849 1 . SER 111 111 17849 1 . ILE 112 112 17849 1 . GLY 113 113 17849 1 . GLU 114 114 17849 1 . LYS 115 115 17849 1 . LEU 116 116 17849 1 . THR 117 117 17849 1 . ASP 118 118 17849 1 . ALA 119 119 17849 1 . GLU 120 120 17849 1 . LEU 121 121 17849 1 . GLU 122 122 17849 1 . HIS 123 123 17849 1 . HIS 124 124 17849 1 . HIS 125 125 17849 1 . HIS 126 126 17849 1 . HIS 127 127 17849 1 . HIS 128 128 17849 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17849 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . CA . 17849 2 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 17849 _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 $yCaM_123 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17849 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 17849 _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 $yCaM_123 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 17849 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17849 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _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 Ca _Chem_comp.Formula_weight 40.078 _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 Fri Aug 26 14:38:08 2011 ; _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 17849 CA [Ca++] SMILES CACTVS 3.341 17849 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17849 CA [Ca+2] SMILES ACDLabs 10.04 17849 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17849 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17849 CA InChI=1S/Ca/q+2 InChI InChI 1.03 17849 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17849 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17849 CA 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 CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17849 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 17849 _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 yCaM_123 '[U-99% 13C; U-99% 15N]' . . 1 $yCaM_123 . . 1 . . mM . . . . 17849 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17849 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17849 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17849 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17849 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 17849 1 pH 6.3 . pH 17849 1 pressure 1 . atm 17849 1 temperature 298 . K 17849 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17849 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17849 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17849 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17849 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17849 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17849 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17849 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17849 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17849 3 'peak picking' 17849 3 refinement 17849 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17849 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17849 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17849 4 'structure solution' 17849 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17849 _Software.ID 5 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17849 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17849 5 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 17849 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17849 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17849 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17849 1 2 spectrometer_2 Varian INOVA . 600 . . . 17849 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 17849 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 6 '3D HNCA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 8 '3D HNCACB' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 10 '3D HN(CA)HA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 11 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 13 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 1 14 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 15 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 16 '2D HbCbCgCdCeHe' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17849 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 1 19 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17849 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 17849 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17849 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 17849 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17849 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17849 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17849 1 2 '2D 1H-13C HSQC aliphatic' . . . 17849 1 3 '2D 1H-13C HSQC aromatic' . . . 17849 1 17 '3D 1H-15N NOESY' . . . 17849 1 18 '3D 1H-13C NOESY aliphatic' . . . 17849 1 19 '3D 1H-13C NOESY aromatic' . . . 17849 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.507 0.000 . 1 . . . A 2 SER HA . 17849 1 2 . 1 1 2 2 SER HB2 H 1 3.853 0.000 . 2 . . . A 2 SER HB2 . 17849 1 3 . 1 1 2 2 SER HB3 H 1 3.853 0.000 . 2 . . . A 2 SER HB3 . 17849 1 4 . 1 1 2 2 SER CA C 13 58.342 0.000 . 1 . . . A 2 SER CA . 17849 1 5 . 1 1 2 2 SER CB C 13 63.883 0.000 . 1 . . . A 2 SER CB . 17849 1 6 . 1 1 3 3 ASN HA H 1 4.764 0.000 . 1 . . . A 3 ASN HA . 17849 1 7 . 1 1 3 3 ASN HB2 H 1 2.745 0.000 . 2 . . . A 3 ASN HB2 . 17849 1 8 . 1 1 3 3 ASN HB3 H 1 2.836 0.000 . 2 . . . A 3 ASN HB3 . 17849 1 9 . 1 1 3 3 ASN HD21 H 1 7.584 0.002 . 2 . . . A 3 ASN HD21 . 17849 1 10 . 1 1 3 3 ASN HD22 H 1 6.912 0.001 . 2 . . . A 3 ASN HD22 . 17849 1 11 . 1 1 3 3 ASN C C 13 174.784 0.000 . 1 . . . A 3 ASN C . 17849 1 12 . 1 1 3 3 ASN CA C 13 53.125 0.000 . 1 . . . A 3 ASN CA . 17849 1 13 . 1 1 3 3 ASN CB C 13 38.893 0.001 . 1 . . . A 3 ASN CB . 17849 1 14 . 1 1 3 3 ASN CG C 13 177.181 0.009 . 1 . . . A 3 ASN CG . 17849 1 15 . 1 1 3 3 ASN ND2 N 15 112.818 0.000 . 1 . . . A 3 ASN ND2 . 17849 1 16 . 1 1 4 4 LEU H H 1 8.097 0.000 . 1 . . . A 4 LEU H . 17849 1 17 . 1 1 4 4 LEU HA H 1 4.700 0.000 . 1 . . . A 4 LEU HA . 17849 1 18 . 1 1 4 4 LEU HB2 H 1 1.567 0.000 . 2 . . . A 4 LEU HB2 . 17849 1 19 . 1 1 4 4 LEU HB3 H 1 1.733 0.000 . 2 . . . A 4 LEU HB3 . 17849 1 20 . 1 1 4 4 LEU HD11 H 1 0.864 0.000 . . . . . A 4 LEU HD11 . 17849 1 21 . 1 1 4 4 LEU HD12 H 1 0.864 0.000 . . . . . A 4 LEU HD12 . 17849 1 22 . 1 1 4 4 LEU HD13 H 1 0.864 0.000 . . . . . A 4 LEU HD13 . 17849 1 23 . 1 1 4 4 LEU HD21 H 1 0.931 0.000 . . . . . A 4 LEU HD21 . 17849 1 24 . 1 1 4 4 LEU HD22 H 1 0.931 0.000 . . . . . A 4 LEU HD22 . 17849 1 25 . 1 1 4 4 LEU HD23 H 1 0.931 0.000 . . . . . A 4 LEU HD23 . 17849 1 26 . 1 1 4 4 LEU C C 13 177.665 0.000 . 1 . . . A 4 LEU C . 17849 1 27 . 1 1 4 4 LEU CA C 13 54.512 0.000 . 1 . . . A 4 LEU CA . 17849 1 28 . 1 1 4 4 LEU CB C 13 43.639 0.001 . 1 . . . A 4 LEU CB . 17849 1 29 . 1 1 4 4 LEU CD1 C 13 26.694 0.000 . 2 . . . A 4 LEU CD1 . 17849 1 30 . 1 1 4 4 LEU CD2 C 13 23.504 0.000 . 2 . . . A 4 LEU CD2 . 17849 1 31 . 1 1 4 4 LEU N N 15 121.466 0.000 . 1 . . . A 4 LEU N . 17849 1 32 . 1 1 5 5 THR H H 1 8.778 0.000 . 1 . . . A 5 THR H . 17849 1 33 . 1 1 5 5 THR HA H 1 4.481 0.000 . 1 . . . A 5 THR HA . 17849 1 34 . 1 1 5 5 THR HB H 1 4.831 0.000 . 1 . . . A 5 THR HB . 17849 1 35 . 1 1 5 5 THR HG1 H 1 5.714 0.000 . 1 . . . A 5 THR HG1 . 17849 1 36 . 1 1 5 5 THR HG21 H 1 1.362 0.000 . . . . . A 5 THR HG21 . 17849 1 37 . 1 1 5 5 THR HG22 H 1 1.362 0.000 . . . . . A 5 THR HG22 . 17849 1 38 . 1 1 5 5 THR HG23 H 1 1.362 0.000 . . . . . A 5 THR HG23 . 17849 1 39 . 1 1 5 5 THR C C 13 175.474 0.000 . 1 . . . A 5 THR C . 17849 1 40 . 1 1 5 5 THR CA C 13 60.528 0.000 . 1 . . . A 5 THR CA . 17849 1 41 . 1 1 5 5 THR CB C 13 71.244 0.000 . 1 . . . A 5 THR CB . 17849 1 42 . 1 1 5 5 THR CG2 C 13 21.806 0.000 . 1 . . . A 5 THR CG2 . 17849 1 43 . 1 1 5 5 THR N N 15 112.990 0.000 . 1 . . . A 5 THR N . 17849 1 44 . 1 1 6 6 GLU H H 1 9.078 0.000 . 1 . . . A 6 GLU H . 17849 1 45 . 1 1 6 6 GLU HA H 1 4.002 0.000 . 1 . . . A 6 GLU HA . 17849 1 46 . 1 1 6 6 GLU HB2 H 1 2.080 0.000 . 2 . . . A 6 GLU HB2 . 17849 1 47 . 1 1 6 6 GLU HB3 H 1 2.080 0.000 . 2 . . . A 6 GLU HB3 . 17849 1 48 . 1 1 6 6 GLU HG2 H 1 2.358 0.000 . 2 . . . A 6 GLU HG2 . 17849 1 49 . 1 1 6 6 GLU HG3 H 1 2.426 0.000 . 2 . . . A 6 GLU HG3 . 17849 1 50 . 1 1 6 6 GLU C C 13 179.568 0.000 . 1 . . . A 6 GLU C . 17849 1 51 . 1 1 6 6 GLU CA C 13 60.176 0.000 . 1 . . . A 6 GLU CA . 17849 1 52 . 1 1 6 6 GLU CB C 13 29.225 0.000 . 1 . . . A 6 GLU CB . 17849 1 53 . 1 1 6 6 GLU CG C 13 36.593 0.010 . 1 . . . A 6 GLU CG . 17849 1 54 . 1 1 6 6 GLU N N 15 120.343 0.000 . 1 . . . A 6 GLU N . 17849 1 55 . 1 1 7 7 GLU H H 1 8.820 0.000 . 1 . . . A 7 GLU H . 17849 1 56 . 1 1 7 7 GLU HA H 1 4.111 0.000 . 1 . . . A 7 GLU HA . 17849 1 57 . 1 1 7 7 GLU HB2 H 1 1.976 0.000 . 2 . . . A 7 GLU HB2 . 17849 1 58 . 1 1 7 7 GLU HB3 H 1 2.089 0.000 . 2 . . . A 7 GLU HB3 . 17849 1 59 . 1 1 7 7 GLU HG2 H 1 2.314 0.000 . 2 . . . A 7 GLU HG2 . 17849 1 60 . 1 1 7 7 GLU HG3 H 1 2.380 0.000 . 2 . . . A 7 GLU HG3 . 17849 1 61 . 1 1 7 7 GLU C C 13 179.170 0.000 . 1 . . . A 7 GLU C . 17849 1 62 . 1 1 7 7 GLU CA C 13 60.037 0.000 . 1 . . . A 7 GLU CA . 17849 1 63 . 1 1 7 7 GLU CB C 13 29.117 0.006 . 1 . . . A 7 GLU CB . 17849 1 64 . 1 1 7 7 GLU CG C 13 36.901 0.003 . 1 . . . A 7 GLU CG . 17849 1 65 . 1 1 7 7 GLU N N 15 119.544 0.000 . 1 . . . A 7 GLU N . 17849 1 66 . 1 1 8 8 GLN H H 1 7.812 0.000 . 1 . . . A 8 GLN H . 17849 1 67 . 1 1 8 8 GLN HA H 1 4.164 0.000 . 1 . . . A 8 GLN HA . 17849 1 68 . 1 1 8 8 GLN HB2 H 1 2.043 0.000 . 2 . . . A 8 GLN HB2 . 17849 1 69 . 1 1 8 8 GLN HB3 H 1 2.549 0.000 . 2 . . . A 8 GLN HB3 . 17849 1 70 . 1 1 8 8 GLN HG2 H 1 2.484 0.000 . 2 . . . A 8 GLN HG2 . 17849 1 71 . 1 1 8 8 GLN HG3 H 1 2.522 0.000 . 2 . . . A 8 GLN HG3 . 17849 1 72 . 1 1 8 8 GLN HE21 H 1 7.593 0.000 . 2 . . . A 8 GLN HE21 . 17849 1 73 . 1 1 8 8 GLN HE22 H 1 6.821 0.000 . 2 . . . A 8 GLN HE22 . 17849 1 74 . 1 1 8 8 GLN C C 13 179.652 0.000 . 1 . . . A 8 GLN C . 17849 1 75 . 1 1 8 8 GLN CA C 13 58.752 0.000 . 1 . . . A 8 GLN CA . 17849 1 76 . 1 1 8 8 GLN CB C 13 29.739 0.011 . 1 . . . A 8 GLN CB . 17849 1 77 . 1 1 8 8 GLN CG C 13 35.089 0.001 . 1 . . . A 8 GLN CG . 17849 1 78 . 1 1 8 8 GLN CD C 13 179.914 0.020 . 1 . . . A 8 GLN CD . 17849 1 79 . 1 1 8 8 GLN N N 15 119.824 0.000 . 1 . . . A 8 GLN N . 17849 1 80 . 1 1 8 8 GLN NE2 N 15 110.977 0.002 . 1 . . . A 8 GLN NE2 . 17849 1 81 . 1 1 9 9 ILE H H 1 8.634 0.000 . 1 . . . A 9 ILE H . 17849 1 82 . 1 1 9 9 ILE HA H 1 3.852 0.000 . 1 . . . A 9 ILE HA . 17849 1 83 . 1 1 9 9 ILE HB H 1 2.019 0.000 . 1 . . . A 9 ILE HB . 17849 1 84 . 1 1 9 9 ILE HG12 H 1 1.069 0.000 . 2 . . . A 9 ILE HG12 . 17849 1 85 . 1 1 9 9 ILE HG13 H 1 1.892 0.000 . 2 . . . A 9 ILE HG13 . 17849 1 86 . 1 1 9 9 ILE HG21 H 1 1.145 0.000 . . . . . A 9 ILE HG21 . 17849 1 87 . 1 1 9 9 ILE HG22 H 1 1.145 0.000 . . . . . A 9 ILE HG22 . 17849 1 88 . 1 1 9 9 ILE HG23 H 1 1.145 0.000 . . . . . A 9 ILE HG23 . 17849 1 89 . 1 1 9 9 ILE HD11 H 1 0.857 0.000 . . . . . A 9 ILE HD11 . 17849 1 90 . 1 1 9 9 ILE HD12 H 1 0.857 0.000 . . . . . A 9 ILE HD12 . 17849 1 91 . 1 1 9 9 ILE HD13 H 1 0.857 0.000 . . . . . A 9 ILE HD13 . 17849 1 92 . 1 1 9 9 ILE C C 13 177.899 0.000 . 1 . . . A 9 ILE C . 17849 1 93 . 1 1 9 9 ILE CA C 13 66.576 0.000 . 1 . . . A 9 ILE CA . 17849 1 94 . 1 1 9 9 ILE CB C 13 37.989 0.000 . 1 . . . A 9 ILE CB . 17849 1 95 . 1 1 9 9 ILE CG1 C 13 30.438 0.001 . 1 . . . A 9 ILE CG1 . 17849 1 96 . 1 1 9 9 ILE CG2 C 13 17.571 0.000 . 1 . . . A 9 ILE CG2 . 17849 1 97 . 1 1 9 9 ILE CD1 C 13 12.998 0.000 . 1 . . . A 9 ILE CD1 . 17849 1 98 . 1 1 9 9 ILE N N 15 120.978 0.000 . 1 . . . A 9 ILE N . 17849 1 99 . 1 1 10 10 ALA H H 1 8.142 0.000 . 1 . . . A 10 ALA H . 17849 1 100 . 1 1 10 10 ALA HA H 1 4.106 0.000 . 1 . . . A 10 ALA HA . 17849 1 101 . 1 1 10 10 ALA HB1 H 1 1.552 0.000 . . . . . A 10 ALA HB1 . 17849 1 102 . 1 1 10 10 ALA HB2 H 1 1.552 0.000 . . . . . A 10 ALA HB2 . 17849 1 103 . 1 1 10 10 ALA HB3 H 1 1.552 0.000 . . . . . A 10 ALA HB3 . 17849 1 104 . 1 1 10 10 ALA C C 13 180.886 0.000 . 1 . . . A 10 ALA C . 17849 1 105 . 1 1 10 10 ALA CA C 13 55.418 0.000 . 1 . . . A 10 ALA CA . 17849 1 106 . 1 1 10 10 ALA CB C 13 17.775 0.000 . 1 . . . A 10 ALA CB . 17849 1 107 . 1 1 10 10 ALA N N 15 121.528 0.000 . 1 . . . A 10 ALA N . 17849 1 108 . 1 1 11 11 GLU H H 1 7.810 0.000 . 1 . . . A 11 GLU H . 17849 1 109 . 1 1 11 11 GLU HA H 1 4.214 0.000 . 1 . . . A 11 GLU HA . 17849 1 110 . 1 1 11 11 GLU HB2 H 1 2.018 0.000 . 2 . . . A 11 GLU HB2 . 17849 1 111 . 1 1 11 11 GLU HB3 H 1 1.856 0.000 . 2 . . . A 11 GLU HB3 . 17849 1 112 . 1 1 11 11 GLU HG2 H 1 2.156 0.000 . 2 . . . A 11 GLU HG2 . 17849 1 113 . 1 1 11 11 GLU HG3 H 1 2.460 0.000 . 2 . . . A 11 GLU HG3 . 17849 1 114 . 1 1 11 11 GLU C C 13 180.292 0.000 . 1 . . . A 11 GLU C . 17849 1 115 . 1 1 11 11 GLU CA C 13 59.364 0.000 . 1 . . . A 11 GLU CA . 17849 1 116 . 1 1 11 11 GLU CB C 13 29.788 0.001 . 1 . . . A 11 GLU CB . 17849 1 117 . 1 1 11 11 GLU CG C 13 36.832 0.009 . 1 . . . A 11 GLU CG . 17849 1 118 . 1 1 11 11 GLU N N 15 118.807 0.000 . 1 . . . A 11 GLU N . 17849 1 119 . 1 1 12 12 PHE H H 1 8.432 0.000 . 1 . . . A 12 PHE H . 17849 1 120 . 1 1 12 12 PHE HA H 1 4.647 0.000 . 1 . . . A 12 PHE HA . 17849 1 121 . 1 1 12 12 PHE HB2 H 1 3.384 0.000 . 2 . . . A 12 PHE HB2 . 17849 1 122 . 1 1 12 12 PHE HB3 H 1 3.525 0.000 . 2 . . . A 12 PHE HB3 . 17849 1 123 . 1 1 12 12 PHE HD1 H 1 7.224 0.010 . 3 . . . A 12 PHE HD1 . 17849 1 124 . 1 1 12 12 PHE HD2 H 1 7.224 0.010 . 3 . . . A 12 PHE HD2 . 17849 1 125 . 1 1 12 12 PHE HE1 H 1 7.208 0.000 . 3 . . . A 12 PHE HE1 . 17849 1 126 . 1 1 12 12 PHE HE2 H 1 7.208 0.000 . 3 . . . A 12 PHE HE2 . 17849 1 127 . 1 1 12 12 PHE HZ H 1 7.200 0.000 . 1 . . . A 12 PHE HZ . 17849 1 128 . 1 1 12 12 PHE C C 13 179.032 0.000 . 1 . . . A 12 PHE C . 17849 1 129 . 1 1 12 12 PHE CA C 13 63.160 0.000 . 1 . . . A 12 PHE CA . 17849 1 130 . 1 1 12 12 PHE CB C 13 39.015 0.060 . 1 . . . A 12 PHE CB . 17849 1 131 . 1 1 12 12 PHE CD2 C 13 130.645 0.000 . 3 . . . A 12 PHE CD2 . 17849 1 132 . 1 1 12 12 PHE CE2 C 13 131.557 0.000 . 3 . . . A 12 PHE CE2 . 17849 1 133 . 1 1 12 12 PHE CZ C 13 130.313 0.000 . 1 . . . A 12 PHE CZ . 17849 1 134 . 1 1 12 12 PHE N N 15 118.671 0.000 . 1 . . . A 12 PHE N . 17849 1 135 . 1 1 13 13 LYS H H 1 8.981 0.000 . 1 . . . A 13 LYS H . 17849 1 136 . 1 1 13 13 LYS HA H 1 3.840 0.000 . 1 . . . A 13 LYS HA . 17849 1 137 . 1 1 13 13 LYS HB2 H 1 1.747 0.000 . 2 . . . A 13 LYS HB2 . 17849 1 138 . 1 1 13 13 LYS HB3 H 1 1.839 0.000 . 2 . . . A 13 LYS HB3 . 17849 1 139 . 1 1 13 13 LYS HG2 H 1 0.795 0.000 . 2 . . . A 13 LYS HG2 . 17849 1 140 . 1 1 13 13 LYS HG3 H 1 0.909 0.000 . 2 . . . A 13 LYS HG3 . 17849 1 141 . 1 1 13 13 LYS HD2 H 1 1.106 0.000 . 2 . . . A 13 LYS HD2 . 17849 1 142 . 1 1 13 13 LYS HD3 H 1 1.231 0.000 . 2 . . . A 13 LYS HD3 . 17849 1 143 . 1 1 13 13 LYS HE2 H 1 2.471 0.000 . 2 . . . A 13 LYS HE2 . 17849 1 144 . 1 1 13 13 LYS HE3 H 1 2.471 0.000 . 2 . . . A 13 LYS HE3 . 17849 1 145 . 1 1 13 13 LYS C C 13 179.114 0.000 . 1 . . . A 13 LYS C . 17849 1 146 . 1 1 13 13 LYS CA C 13 60.088 0.000 . 1 . . . A 13 LYS CA . 17849 1 147 . 1 1 13 13 LYS CB C 13 31.652 0.000 . 1 . . . A 13 LYS CB . 17849 1 148 . 1 1 13 13 LYS CG C 13 25.440 0.005 . 1 . . . A 13 LYS CG . 17849 1 149 . 1 1 13 13 LYS CD C 13 28.671 0.000 . 1 . . . A 13 LYS CD . 17849 1 150 . 1 1 13 13 LYS CE C 13 41.802 0.000 . 1 . . . A 13 LYS CE . 17849 1 151 . 1 1 13 13 LYS N N 15 123.536 0.000 . 1 . . . A 13 LYS N . 17849 1 152 . 1 1 14 14 GLU H H 1 7.737 0.000 . 1 . . . A 14 GLU H . 17849 1 153 . 1 1 14 14 GLU HA H 1 4.097 0.000 . 1 . . . A 14 GLU HA . 17849 1 154 . 1 1 14 14 GLU HB2 H 1 2.066 0.000 . 2 . . . A 14 GLU HB2 . 17849 1 155 . 1 1 14 14 GLU HB3 H 1 2.350 0.000 . 2 . . . A 14 GLU HB3 . 17849 1 156 . 1 1 14 14 GLU HG2 H 1 2.206 0.000 . 2 . . . A 14 GLU HG2 . 17849 1 157 . 1 1 14 14 GLU HG3 H 1 2.546 0.000 . 2 . . . A 14 GLU HG3 . 17849 1 158 . 1 1 14 14 GLU C C 13 179.285 0.000 . 1 . . . A 14 GLU C . 17849 1 159 . 1 1 14 14 GLU CA C 13 59.245 0.000 . 1 . . . A 14 GLU CA . 17849 1 160 . 1 1 14 14 GLU CB C 13 29.641 0.005 . 1 . . . A 14 GLU CB . 17849 1 161 . 1 1 14 14 GLU CG C 13 36.429 0.022 . 1 . . . A 14 GLU CG . 17849 1 162 . 1 1 14 14 GLU N N 15 119.691 0.000 . 1 . . . A 14 GLU N . 17849 1 163 . 1 1 15 15 ALA H H 1 7.747 0.000 . 1 . . . A 15 ALA H . 17849 1 164 . 1 1 15 15 ALA HA H 1 4.167 0.000 . 1 . . . A 15 ALA HA . 17849 1 165 . 1 1 15 15 ALA HB1 H 1 1.837 0.000 . . . . . A 15 ALA HB1 . 17849 1 166 . 1 1 15 15 ALA HB2 H 1 1.837 0.000 . . . . . A 15 ALA HB2 . 17849 1 167 . 1 1 15 15 ALA HB3 H 1 1.837 0.000 . . . . . A 15 ALA HB3 . 17849 1 168 . 1 1 15 15 ALA C C 13 178.607 0.000 . 1 . . . A 15 ALA C . 17849 1 169 . 1 1 15 15 ALA CA C 13 55.059 0.000 . 1 . . . A 15 ALA CA . 17849 1 170 . 1 1 15 15 ALA CB C 13 19.131 0.000 . 1 . . . A 15 ALA CB . 17849 1 171 . 1 1 15 15 ALA N N 15 120.127 0.000 . 1 . . . A 15 ALA N . 17849 1 172 . 1 1 16 16 PHE H H 1 8.908 0.000 . 1 . . . A 16 PHE H . 17849 1 173 . 1 1 16 16 PHE HA H 1 3.307 0.000 . 1 . . . A 16 PHE HA . 17849 1 174 . 1 1 16 16 PHE HB2 H 1 2.825 0.000 . 2 . . . A 16 PHE HB2 . 17849 1 175 . 1 1 16 16 PHE HB3 H 1 3.253 0.000 . 2 . . . A 16 PHE HB3 . 17849 1 176 . 1 1 16 16 PHE HD1 H 1 6.528 0.000 . 3 . . . A 16 PHE HD1 . 17849 1 177 . 1 1 16 16 PHE HD2 H 1 6.528 0.000 . 3 . . . A 16 PHE HD2 . 17849 1 178 . 1 1 16 16 PHE HE1 H 1 6.957 0.000 . 3 . . . A 16 PHE HE1 . 17849 1 179 . 1 1 16 16 PHE HE2 H 1 6.957 0.000 . 3 . . . A 16 PHE HE2 . 17849 1 180 . 1 1 16 16 PHE HZ H 1 7.414 0.000 . 1 . . . A 16 PHE HZ . 17849 1 181 . 1 1 16 16 PHE C C 13 177.236 0.000 . 1 . . . A 16 PHE C . 17849 1 182 . 1 1 16 16 PHE CA C 13 61.705 0.000 . 1 . . . A 16 PHE CA . 17849 1 183 . 1 1 16 16 PHE CB C 13 39.752 0.025 . 1 . . . A 16 PHE CB . 17849 1 184 . 1 1 16 16 PHE CE2 C 13 131.053 0.000 . 3 . . . A 16 PHE CE2 . 17849 1 185 . 1 1 16 16 PHE CZ C 13 130.877 0.000 . 1 . . . A 16 PHE CZ . 17849 1 186 . 1 1 16 16 PHE N N 15 119.058 0.000 . 1 . . . A 16 PHE N . 17849 1 187 . 1 1 17 17 ALA H H 1 7.877 0.000 . 1 . . . A 17 ALA H . 17849 1 188 . 1 1 17 17 ALA HA H 1 4.123 0.000 . 1 . . . A 17 ALA HA . 17849 1 189 . 1 1 17 17 ALA HB1 H 1 1.564 0.000 . . . . . A 17 ALA HB1 . 17849 1 190 . 1 1 17 17 ALA HB2 H 1 1.564 0.000 . . . . . A 17 ALA HB2 . 17849 1 191 . 1 1 17 17 ALA HB3 H 1 1.564 0.000 . . . . . A 17 ALA HB3 . 17849 1 192 . 1 1 17 17 ALA C C 13 178.680 0.000 . 1 . . . A 17 ALA C . 17849 1 193 . 1 1 17 17 ALA CA C 13 54.539 0.000 . 1 . . . A 17 ALA CA . 17849 1 194 . 1 1 17 17 ALA CB C 13 18.215 0.000 . 1 . . . A 17 ALA CB . 17849 1 195 . 1 1 17 17 ALA N N 15 119.352 0.000 . 1 . . . A 17 ALA N . 17849 1 196 . 1 1 18 18 LEU H H 1 7.369 0.000 . 1 . . . A 18 LEU H . 17849 1 197 . 1 1 18 18 LEU HA H 1 4.055 0.000 . 1 . . . A 18 LEU HA . 17849 1 198 . 1 1 18 18 LEU HB2 H 1 1.315 0.000 . 2 . . . A 18 LEU HB2 . 17849 1 199 . 1 1 18 18 LEU HB3 H 1 2.118 0.000 . 2 . . . A 18 LEU HB3 . 17849 1 200 . 1 1 18 18 LEU HG H 1 1.920 0.000 . 1 . . . A 18 LEU HG . 17849 1 201 . 1 1 18 18 LEU HD11 H 1 0.822 0.000 . . . . . A 18 LEU HD11 . 17849 1 202 . 1 1 18 18 LEU HD12 H 1 0.822 0.000 . . . . . A 18 LEU HD12 . 17849 1 203 . 1 1 18 18 LEU HD13 H 1 0.822 0.000 . . . . . A 18 LEU HD13 . 17849 1 204 . 1 1 18 18 LEU HD21 H 1 0.920 0.000 . . . . . A 18 LEU HD21 . 17849 1 205 . 1 1 18 18 LEU HD22 H 1 0.920 0.000 . . . . . A 18 LEU HD22 . 17849 1 206 . 1 1 18 18 LEU HD23 H 1 0.920 0.000 . . . . . A 18 LEU HD23 . 17849 1 207 . 1 1 18 18 LEU C C 13 178.393 0.000 . 1 . . . A 18 LEU C . 17849 1 208 . 1 1 18 18 LEU CA C 13 56.642 0.000 . 1 . . . A 18 LEU CA . 17849 1 209 . 1 1 18 18 LEU CB C 13 41.743 0.006 . 1 . . . A 18 LEU CB . 17849 1 210 . 1 1 18 18 LEU CG C 13 26.828 0.000 . 1 . . . A 18 LEU CG . 17849 1 211 . 1 1 18 18 LEU CD1 C 13 22.474 0.000 . 2 . . . A 18 LEU CD1 . 17849 1 212 . 1 1 18 18 LEU CD2 C 13 26.646 0.000 . 2 . . . A 18 LEU CD2 . 17849 1 213 . 1 1 18 18 LEU N N 15 115.281 0.000 . 1 . . . A 18 LEU N . 17849 1 214 . 1 1 19 19 PHE H H 1 7.468 0.000 . 1 . . . A 19 PHE H . 17849 1 215 . 1 1 19 19 PHE HA H 1 4.209 0.000 . 1 . . . A 19 PHE HA . 17849 1 216 . 1 1 19 19 PHE HB2 H 1 2.904 0.000 . 2 . . . A 19 PHE HB2 . 17849 1 217 . 1 1 19 19 PHE HB3 H 1 2.545 0.000 . 2 . . . A 19 PHE HB3 . 17849 1 218 . 1 1 19 19 PHE HD1 H 1 7.322 0.008 . 3 . . . A 19 PHE HD1 . 17849 1 219 . 1 1 19 19 PHE HD2 H 1 7.322 0.008 . 3 . . . A 19 PHE HD2 . 17849 1 220 . 1 1 19 19 PHE HE1 H 1 7.168 0.001 . 3 . . . A 19 PHE HE1 . 17849 1 221 . 1 1 19 19 PHE HE2 H 1 7.168 0.001 . 3 . . . A 19 PHE HE2 . 17849 1 222 . 1 1 19 19 PHE HZ H 1 6.925 0.000 . 1 . . . A 19 PHE HZ . 17849 1 223 . 1 1 19 19 PHE C C 13 176.704 0.000 . 1 . . . A 19 PHE C . 17849 1 224 . 1 1 19 19 PHE CA C 13 59.233 0.000 . 1 . . . A 19 PHE CA . 17849 1 225 . 1 1 19 19 PHE CB C 13 41.670 0.051 . 1 . . . A 19 PHE CB . 17849 1 226 . 1 1 19 19 PHE CD1 C 13 132.273 0.000 . 3 . . . A 19 PHE CD1 . 17849 1 227 . 1 1 19 19 PHE CE1 C 13 130.576 0.000 . 3 . . . A 19 PHE CE1 . 17849 1 228 . 1 1 19 19 PHE CZ C 13 128.577 0.000 . 1 . . . A 19 PHE CZ . 17849 1 229 . 1 1 19 19 PHE N N 15 115.719 0.000 . 1 . . . A 19 PHE N . 17849 1 230 . 1 1 20 20 ASP H H 1 7.488 0.000 . 1 . . . A 20 ASP H . 17849 1 231 . 1 1 20 20 ASP HA H 1 4.461 0.000 . 1 . . . A 20 ASP HA . 17849 1 232 . 1 1 20 20 ASP HB2 H 1 1.473 0.000 . 2 . . . A 20 ASP HB2 . 17849 1 233 . 1 1 20 20 ASP HB3 H 1 2.510 0.000 . 2 . . . A 20 ASP HB3 . 17849 1 234 . 1 1 20 20 ASP C C 13 176.557 0.000 . 1 . . . A 20 ASP C . 17849 1 235 . 1 1 20 20 ASP CA C 13 52.245 0.000 . 1 . . . A 20 ASP CA . 17849 1 236 . 1 1 20 20 ASP CB C 13 39.147 0.008 . 1 . . . A 20 ASP CB . 17849 1 237 . 1 1 20 20 ASP N N 15 117.209 0.000 . 1 . . . A 20 ASP N . 17849 1 238 . 1 1 21 21 LYS H H 1 7.376 0.000 . 1 . . . A 21 LYS H . 17849 1 239 . 1 1 21 21 LYS HA H 1 3.998 0.000 . 1 . . . A 21 LYS HA . 17849 1 240 . 1 1 21 21 LYS HB2 H 1 1.902 0.000 . 2 . . . A 21 LYS HB2 . 17849 1 241 . 1 1 21 21 LYS HB3 H 1 1.902 0.000 . 2 . . . A 21 LYS HB3 . 17849 1 242 . 1 1 21 21 LYS HG2 H 1 1.465 0.000 . 2 . . . A 21 LYS HG2 . 17849 1 243 . 1 1 21 21 LYS HG3 H 1 1.563 0.000 . 2 . . . A 21 LYS HG3 . 17849 1 244 . 1 1 21 21 LYS HD2 H 1 1.685 0.000 . 2 . . . A 21 LYS HD2 . 17849 1 245 . 1 1 21 21 LYS HD3 H 1 1.685 0.000 . 2 . . . A 21 LYS HD3 . 17849 1 246 . 1 1 21 21 LYS HE2 H 1 2.992 0.000 . 2 . . . A 21 LYS HE2 . 17849 1 247 . 1 1 21 21 LYS HE3 H 1 2.992 0.000 . 2 . . . A 21 LYS HE3 . 17849 1 248 . 1 1 21 21 LYS C C 13 177.844 0.000 . 1 . . . A 21 LYS C . 17849 1 249 . 1 1 21 21 LYS CA C 13 58.308 0.000 . 1 . . . A 21 LYS CA . 17849 1 250 . 1 1 21 21 LYS CB C 13 32.452 0.000 . 1 . . . A 21 LYS CB . 17849 1 251 . 1 1 21 21 LYS CG C 13 24.382 0.000 . 1 . . . A 21 LYS CG . 17849 1 252 . 1 1 21 21 LYS CD C 13 28.190 0.000 . 1 . . . A 21 LYS CD . 17849 1 253 . 1 1 21 21 LYS CE C 13 42.105 0.000 . 1 . . . A 21 LYS CE . 17849 1 254 . 1 1 21 21 LYS N N 15 124.086 0.000 . 1 . . . A 21 LYS N . 17849 1 255 . 1 1 22 22 ASP H H 1 8.113 0.000 . 1 . . . A 22 ASP H . 17849 1 256 . 1 1 22 22 ASP HA H 1 4.604 0.000 . 1 . . . A 22 ASP HA . 17849 1 257 . 1 1 22 22 ASP HB2 H 1 2.578 0.000 . 2 . . . A 22 ASP HB2 . 17849 1 258 . 1 1 22 22 ASP HB3 H 1 3.092 0.000 . 2 . . . A 22 ASP HB3 . 17849 1 259 . 1 1 22 22 ASP C C 13 176.349 0.000 . 1 . . . A 22 ASP C . 17849 1 260 . 1 1 22 22 ASP CA C 13 52.703 0.000 . 1 . . . A 22 ASP CA . 17849 1 261 . 1 1 22 22 ASP CB C 13 39.355 0.002 . 1 . . . A 22 ASP CB . 17849 1 262 . 1 1 22 22 ASP N N 15 114.097 0.000 . 1 . . . A 22 ASP N . 17849 1 263 . 1 1 23 23 ASN H H 1 8.048 0.000 . 1 . . . A 23 ASN H . 17849 1 264 . 1 1 23 23 ASN HA H 1 4.395 0.000 . 1 . . . A 23 ASN HA . 17849 1 265 . 1 1 23 23 ASN HB2 H 1 2.684 0.000 . 2 . . . A 23 ASN HB2 . 17849 1 266 . 1 1 23 23 ASN HB3 H 1 3.101 0.000 . 2 . . . A 23 ASN HB3 . 17849 1 267 . 1 1 23 23 ASN HD21 H 1 7.527 0.000 . 2 . . . A 23 ASN HD21 . 17849 1 268 . 1 1 23 23 ASN HD22 H 1 6.708 0.000 . 2 . . . A 23 ASN HD22 . 17849 1 269 . 1 1 23 23 ASN C C 13 174.864 0.000 . 1 . . . A 23 ASN C . 17849 1 270 . 1 1 23 23 ASN CA C 13 54.400 0.000 . 1 . . . A 23 ASN CA . 17849 1 271 . 1 1 23 23 ASN CB C 13 37.924 0.002 . 1 . . . A 23 ASN CB . 17849 1 272 . 1 1 23 23 ASN CG C 13 178.253 0.012 . 1 . . . A 23 ASN CG . 17849 1 273 . 1 1 23 23 ASN N N 15 115.562 0.000 . 1 . . . A 23 ASN N . 17849 1 274 . 1 1 23 23 ASN ND2 N 15 111.999 0.000 . 1 . . . A 23 ASN ND2 . 17849 1 275 . 1 1 24 24 ASN H H 1 8.517 0.000 . 1 . . . A 24 ASN H . 17849 1 276 . 1 1 24 24 ASN HA H 1 4.835 0.000 . 1 . . . A 24 ASN HA . 17849 1 277 . 1 1 24 24 ASN HB2 H 1 2.562 0.000 . 2 . . . A 24 ASN HB2 . 17849 1 278 . 1 1 24 24 ASN HB3 H 1 3.306 0.000 . 2 . . . A 24 ASN HB3 . 17849 1 279 . 1 1 24 24 ASN HD21 H 1 7.916 0.003 . 2 . . . A 24 ASN HD21 . 17849 1 280 . 1 1 24 24 ASN HD22 H 1 7.130 0.000 . 2 . . . A 24 ASN HD22 . 17849 1 281 . 1 1 24 24 ASN C C 13 177.445 0.000 . 1 . . . A 24 ASN C . 17849 1 282 . 1 1 24 24 ASN CA C 13 52.415 0.000 . 1 . . . A 24 ASN CA . 17849 1 283 . 1 1 24 24 ASN CB C 13 38.481 0.001 . 1 . . . A 24 ASN CB . 17849 1 284 . 1 1 24 24 ASN CG C 13 179.752 0.007 . 1 . . . A 24 ASN CG . 17849 1 285 . 1 1 24 24 ASN N N 15 117.615 0.000 . 1 . . . A 24 ASN N . 17849 1 286 . 1 1 24 24 ASN ND2 N 15 115.660 0.000 . 1 . . . A 24 ASN ND2 . 17849 1 287 . 1 1 25 25 GLY H H 1 10.729 0.000 . 1 . . . A 25 GLY H . 17849 1 288 . 1 1 25 25 GLY HA2 H 1 3.717 0.000 . . . . . A 25 GLY HA2 . 17849 1 289 . 1 1 25 25 GLY HA3 H 1 4.448 0.000 . 2 . . . A 25 GLY HA3 . 17849 1 290 . 1 1 25 25 GLY C C 13 173.105 0.000 . 1 . . . A 25 GLY C . 17849 1 291 . 1 1 25 25 GLY CA C 13 45.480 0.000 . 1 . . . A 25 GLY CA . 17849 1 292 . 1 1 25 25 GLY N N 15 114.308 0.000 . 1 . . . A 25 GLY N . 17849 1 293 . 1 1 26 26 SER H H 1 7.773 0.000 . 1 . . . A 26 SER H . 17849 1 294 . 1 1 26 26 SER HA H 1 5.330 0.000 . 1 . . . A 26 SER HA . 17849 1 295 . 1 1 26 26 SER HB2 H 1 3.317 0.000 . 2 . . . A 26 SER HB2 . 17849 1 296 . 1 1 26 26 SER HB3 H 1 3.777 0.000 . 2 . . . A 26 SER HB3 . 17849 1 297 . 1 1 26 26 SER C C 13 172.610 0.000 . 1 . . . A 26 SER C . 17849 1 298 . 1 1 26 26 SER CA C 13 57.375 0.000 . 1 . . . A 26 SER CA . 17849 1 299 . 1 1 26 26 SER CB C 13 66.504 0.001 . 1 . . . A 26 SER CB . 17849 1 300 . 1 1 26 26 SER N N 15 113.267 0.000 . 1 . . . A 26 SER N . 17849 1 301 . 1 1 27 27 ILE H H 1 9.848 0.000 . 1 . . . A 27 ILE H . 17849 1 302 . 1 1 27 27 ILE HA H 1 4.888 0.000 . 1 . . . A 27 ILE HA . 17849 1 303 . 1 1 27 27 ILE HB H 1 1.909 0.000 . 1 . . . A 27 ILE HB . 17849 1 304 . 1 1 27 27 ILE HG12 H 1 0.172 0.000 . 2 . . . A 27 ILE HG12 . 17849 1 305 . 1 1 27 27 ILE HG13 H 1 1.232 0.000 . 2 . . . A 27 ILE HG13 . 17849 1 306 . 1 1 27 27 ILE HG21 H 1 1.040 0.000 . . . . . A 27 ILE HG21 . 17849 1 307 . 1 1 27 27 ILE HG22 H 1 1.040 0.000 . . . . . A 27 ILE HG22 . 17849 1 308 . 1 1 27 27 ILE HG23 H 1 1.040 0.000 . . . . . A 27 ILE HG23 . 17849 1 309 . 1 1 27 27 ILE HD11 H 1 0.219 0.000 . . . . . A 27 ILE HD11 . 17849 1 310 . 1 1 27 27 ILE HD12 H 1 0.219 0.000 . . . . . A 27 ILE HD12 . 17849 1 311 . 1 1 27 27 ILE HD13 H 1 0.219 0.000 . . . . . A 27 ILE HD13 . 17849 1 312 . 1 1 27 27 ILE C C 13 175.876 0.000 . 1 . . . A 27 ILE C . 17849 1 313 . 1 1 27 27 ILE CA C 13 60.036 0.000 . 1 . . . A 27 ILE CA . 17849 1 314 . 1 1 27 27 ILE CB C 13 38.896 0.000 . 1 . . . A 27 ILE CB . 17849 1 315 . 1 1 27 27 ILE CG1 C 13 26.693 0.001 . 1 . . . A 27 ILE CG1 . 17849 1 316 . 1 1 27 27 ILE CG2 C 13 17.711 0.000 . 1 . . . A 27 ILE CG2 . 17849 1 317 . 1 1 27 27 ILE CD1 C 13 14.933 0.000 . 1 . . . A 27 ILE CD1 . 17849 1 318 . 1 1 27 27 ILE N N 15 127.124 0.000 . 1 . . . A 27 ILE N . 17849 1 319 . 1 1 28 28 SER H H 1 9.347 0.000 . 1 . . . A 28 SER H . 17849 1 320 . 1 1 28 28 SER HA H 1 4.771 0.000 . 1 . . . A 28 SER HA . 17849 1 321 . 1 1 28 28 SER HB2 H 1 4.071 0.000 . 2 . . . A 28 SER HB2 . 17849 1 322 . 1 1 28 28 SER HB3 H 1 4.522 0.000 . 2 . . . A 28 SER HB3 . 17849 1 323 . 1 1 28 28 SER C C 13 175.395 0.000 . 1 . . . A 28 SER C . 17849 1 324 . 1 1 28 28 SER CA C 13 56.680 0.000 . 1 . . . A 28 SER CA . 17849 1 325 . 1 1 28 28 SER CB C 13 66.154 0.002 . 1 . . . A 28 SER CB . 17849 1 326 . 1 1 28 28 SER N N 15 124.825 0.000 . 1 . . . A 28 SER N . 17849 1 327 . 1 1 29 29 SER H H 1 9.604 0.000 . 1 . . . A 29 SER H . 17849 1 328 . 1 1 29 29 SER HA H 1 4.144 0.000 . 1 . . . A 29 SER HA . 17849 1 329 . 1 1 29 29 SER HB2 H 1 3.964 0.000 . 2 . . . A 29 SER HB2 . 17849 1 330 . 1 1 29 29 SER HB3 H 1 4.013 0.000 . 2 . . . A 29 SER HB3 . 17849 1 331 . 1 1 29 29 SER C C 13 176.516 0.000 . 1 . . . A 29 SER C . 17849 1 332 . 1 1 29 29 SER CA C 13 62.634 0.000 . 1 . . . A 29 SER CA . 17849 1 333 . 1 1 29 29 SER CB C 13 62.227 0.005 . 1 . . . A 29 SER CB . 17849 1 334 . 1 1 29 29 SER N N 15 116.882 0.000 . 1 . . . A 29 SER N . 17849 1 335 . 1 1 30 30 SER H H 1 8.184 0.000 . 1 . . . A 30 SER H . 17849 1 336 . 1 1 30 30 SER HA H 1 4.327 0.000 . 1 . . . A 30 SER HA . 17849 1 337 . 1 1 30 30 SER HB2 H 1 3.912 0.000 . 2 . . . A 30 SER HB2 . 17849 1 338 . 1 1 30 30 SER HB3 H 1 3.944 0.000 . 2 . . . A 30 SER HB3 . 17849 1 339 . 1 1 30 30 SER C C 13 177.965 0.000 . 1 . . . A 30 SER C . 17849 1 340 . 1 1 30 30 SER CA C 13 61.341 0.000 . 1 . . . A 30 SER CA . 17849 1 341 . 1 1 30 30 SER CB C 13 62.429 0.000 . 1 . . . A 30 SER CB . 17849 1 342 . 1 1 30 30 SER N N 15 116.141 0.000 . 1 . . . A 30 SER N . 17849 1 343 . 1 1 31 31 GLU H H 1 7.973 0.000 . 1 . . . A 31 GLU H . 17849 1 344 . 1 1 31 31 GLU HA H 1 4.091 0.000 . 1 . . . A 31 GLU HA . 17849 1 345 . 1 1 31 31 GLU HB2 H 1 2.441 0.000 . 2 . . . A 31 GLU HB2 . 17849 1 346 . 1 1 31 31 GLU HB3 H 1 2.553 0.000 . 2 . . . A 31 GLU HB3 . 17849 1 347 . 1 1 31 31 GLU HG2 H 1 2.361 0.000 . 2 . . . A 31 GLU HG2 . 17849 1 348 . 1 1 31 31 GLU HG3 H 1 2.585 0.000 . 2 . . . A 31 GLU HG3 . 17849 1 349 . 1 1 31 31 GLU C C 13 179.355 0.000 . 1 . . . A 31 GLU C . 17849 1 350 . 1 1 31 31 GLU CA C 13 59.442 0.000 . 1 . . . A 31 GLU CA . 17849 1 351 . 1 1 31 31 GLU CB C 13 29.335 0.010 . 1 . . . A 31 GLU CB . 17849 1 352 . 1 1 31 31 GLU CG C 13 37.787 0.014 . 1 . . . A 31 GLU CG . 17849 1 353 . 1 1 31 31 GLU N N 15 124.933 0.000 . 1 . . . A 31 GLU N . 17849 1 354 . 1 1 32 32 LEU H H 1 8.616 0.000 . 1 . . . A 32 LEU H . 17849 1 355 . 1 1 32 32 LEU HA H 1 4.167 0.000 . 1 . . . A 32 LEU HA . 17849 1 356 . 1 1 32 32 LEU HB2 H 1 1.533 0.000 . 2 . . . A 32 LEU HB2 . 17849 1 357 . 1 1 32 32 LEU HB3 H 1 2.083 0.000 . 2 . . . A 32 LEU HB3 . 17849 1 358 . 1 1 32 32 LEU HG H 1 1.733 0.000 . 1 . . . A 32 LEU HG . 17849 1 359 . 1 1 32 32 LEU HD11 H 1 0.964 0.000 . . . . . A 32 LEU HD11 . 17849 1 360 . 1 1 32 32 LEU HD12 H 1 0.964 0.000 . . . . . A 32 LEU HD12 . 17849 1 361 . 1 1 32 32 LEU HD13 H 1 0.964 0.000 . . . . . A 32 LEU HD13 . 17849 1 362 . 1 1 32 32 LEU HD21 H 1 1.083 0.000 . . . . . A 32 LEU HD21 . 17849 1 363 . 1 1 32 32 LEU HD22 H 1 1.083 0.000 . . . . . A 32 LEU HD22 . 17849 1 364 . 1 1 32 32 LEU HD23 H 1 1.083 0.000 . . . . . A 32 LEU HD23 . 17849 1 365 . 1 1 32 32 LEU C C 13 178.364 0.000 . 1 . . . A 32 LEU C . 17849 1 366 . 1 1 32 32 LEU CA C 13 58.347 0.000 . 1 . . . A 32 LEU CA . 17849 1 367 . 1 1 32 32 LEU CB C 13 42.111 0.010 . 1 . . . A 32 LEU CB . 17849 1 368 . 1 1 32 32 LEU CG C 13 26.989 0.000 . 1 . . . A 32 LEU CG . 17849 1 369 . 1 1 32 32 LEU CD1 C 13 25.781 0.000 . 2 . . . A 32 LEU CD1 . 17849 1 370 . 1 1 32 32 LEU CD2 C 13 22.734 0.000 . 2 . . . A 32 LEU CD2 . 17849 1 371 . 1 1 32 32 LEU N N 15 120.778 0.000 . 1 . . . A 32 LEU N . 17849 1 372 . 1 1 33 33 ALA H H 1 8.688 0.000 . 1 . . . A 33 ALA H . 17849 1 373 . 1 1 33 33 ALA HA H 1 3.876 0.000 . 1 . . . A 33 ALA HA . 17849 1 374 . 1 1 33 33 ALA HB1 H 1 1.594 0.000 . . . . . A 33 ALA HB1 . 17849 1 375 . 1 1 33 33 ALA HB2 H 1 1.594 0.000 . . . . . A 33 ALA HB2 . 17849 1 376 . 1 1 33 33 ALA HB3 H 1 1.594 0.000 . . . . . A 33 ALA HB3 . 17849 1 377 . 1 1 33 33 ALA C C 13 179.394 0.000 . 1 . . . A 33 ALA C . 17849 1 378 . 1 1 33 33 ALA CA C 13 55.788 0.000 . 1 . . . A 33 ALA CA . 17849 1 379 . 1 1 33 33 ALA CB C 13 18.518 0.000 . 1 . . . A 33 ALA CB . 17849 1 380 . 1 1 33 33 ALA N N 15 120.423 0.000 . 1 . . . A 33 ALA N . 17849 1 381 . 1 1 34 34 THR H H 1 8.219 0.000 . 1 . . . A 34 THR H . 17849 1 382 . 1 1 34 34 THR HA H 1 3.902 0.000 . 1 . . . A 34 THR HA . 17849 1 383 . 1 1 34 34 THR HB H 1 4.393 0.000 . 1 . . . A 34 THR HB . 17849 1 384 . 1 1 34 34 THR HG21 H 1 1.280 0.000 . . . . . A 34 THR HG21 . 17849 1 385 . 1 1 34 34 THR HG22 H 1 1.280 0.000 . . . . . A 34 THR HG22 . 17849 1 386 . 1 1 34 34 THR HG23 H 1 1.280 0.000 . . . . . A 34 THR HG23 . 17849 1 387 . 1 1 34 34 THR C C 13 177.161 0.000 . 1 . . . A 34 THR C . 17849 1 388 . 1 1 34 34 THR CA C 13 67.173 0.000 . 1 . . . A 34 THR CA . 17849 1 389 . 1 1 34 34 THR CB C 13 68.712 0.000 . 1 . . . A 34 THR CB . 17849 1 390 . 1 1 34 34 THR CG2 C 13 21.470 0.000 . 1 . . . A 34 THR CG2 . 17849 1 391 . 1 1 34 34 THR N N 15 114.299 0.000 . 1 . . . A 34 THR N . 17849 1 392 . 1 1 35 35 VAL H H 1 7.791 0.000 . 1 . . . A 35 VAL H . 17849 1 393 . 1 1 35 35 VAL HA H 1 3.584 0.000 . 1 . . . A 35 VAL HA . 17849 1 394 . 1 1 35 35 VAL HB H 1 2.189 0.000 . 1 . . . A 35 VAL HB . 17849 1 395 . 1 1 35 35 VAL HG11 H 1 0.633 0.000 . . . . . A 35 VAL HG11 . 17849 1 396 . 1 1 35 35 VAL HG12 H 1 0.633 0.000 . . . . . A 35 VAL HG12 . 17849 1 397 . 1 1 35 35 VAL HG13 H 1 0.633 0.000 . . . . . A 35 VAL HG13 . 17849 1 398 . 1 1 35 35 VAL HG21 H 1 0.875 0.000 . . . . . A 35 VAL HG21 . 17849 1 399 . 1 1 35 35 VAL HG22 H 1 0.875 0.000 . . . . . A 35 VAL HG22 . 17849 1 400 . 1 1 35 35 VAL HG23 H 1 0.875 0.000 . . . . . A 35 VAL HG23 . 17849 1 401 . 1 1 35 35 VAL C C 13 178.403 0.000 . 1 . . . A 35 VAL C . 17849 1 402 . 1 1 35 35 VAL CA C 13 66.884 0.000 . 1 . . . A 35 VAL CA . 17849 1 403 . 1 1 35 35 VAL CB C 13 31.361 0.000 . 1 . . . A 35 VAL CB . 17849 1 404 . 1 1 35 35 VAL CG1 C 13 21.025 0.000 . 2 . . . A 35 VAL CG1 . 17849 1 405 . 1 1 35 35 VAL CG2 C 13 22.975 0.000 . 2 . . . A 35 VAL CG2 . 17849 1 406 . 1 1 35 35 VAL N N 15 122.638 0.000 . 1 . . . A 35 VAL N . 17849 1 407 . 1 1 36 36 MET H H 1 8.308 0.000 . 1 . . . A 36 MET H . 17849 1 408 . 1 1 36 36 MET HA H 1 3.906 0.000 . 1 . . . A 36 MET HA . 17849 1 409 . 1 1 36 36 MET HB2 H 1 1.946 0.000 . 2 . . . A 36 MET HB2 . 17849 1 410 . 1 1 36 36 MET HB3 H 1 2.122 0.000 . 2 . . . A 36 MET HB3 . 17849 1 411 . 1 1 36 36 MET HG2 H 1 2.398 0.000 . 2 . . . A 36 MET HG2 . 17849 1 412 . 1 1 36 36 MET HG3 H 1 2.804 0.000 . 2 . . . A 36 MET HG3 . 17849 1 413 . 1 1 36 36 MET HE1 H 1 1.806 0.000 . . . . . A 36 MET HE1 . 17849 1 414 . 1 1 36 36 MET HE2 H 1 1.806 0.000 . . . . . A 36 MET HE2 . 17849 1 415 . 1 1 36 36 MET HE3 H 1 1.806 0.000 . . . . . A 36 MET HE3 . 17849 1 416 . 1 1 36 36 MET C C 13 178.456 0.000 . 1 . . . A 36 MET C . 17849 1 417 . 1 1 36 36 MET CA C 13 59.787 0.000 . 1 . . . A 36 MET CA . 17849 1 418 . 1 1 36 36 MET CB C 13 32.548 0.000 . 1 . . . A 36 MET CB . 17849 1 419 . 1 1 36 36 MET CG C 13 32.781 0.002 . 1 . . . A 36 MET CG . 17849 1 420 . 1 1 36 36 MET CE C 13 17.851 0.000 . 1 . . . A 36 MET CE . 17849 1 421 . 1 1 36 36 MET N N 15 117.307 0.000 . 1 . . . A 36 MET N . 17849 1 422 . 1 1 37 37 ARG H H 1 8.634 0.000 . 1 . . . A 37 ARG H . 17849 1 423 . 1 1 37 37 ARG HA H 1 4.757 0.000 . 1 . . . A 37 ARG HA . 17849 1 424 . 1 1 37 37 ARG HB2 H 1 1.930 0.000 . 2 . . . A 37 ARG HB2 . 17849 1 425 . 1 1 37 37 ARG HB3 H 1 1.930 0.000 . 2 . . . A 37 ARG HB3 . 17849 1 426 . 1 1 37 37 ARG HG2 H 1 1.784 0.000 . 2 . . . A 37 ARG HG2 . 17849 1 427 . 1 1 37 37 ARG HG3 H 1 1.845 0.000 . 2 . . . A 37 ARG HG3 . 17849 1 428 . 1 1 37 37 ARG HD2 H 1 3.136 0.000 . 2 . . . A 37 ARG HD2 . 17849 1 429 . 1 1 37 37 ARG HD3 H 1 3.278 0.000 . 2 . . . A 37 ARG HD3 . 17849 1 430 . 1 1 37 37 ARG HE H 1 7.508 0.000 . 1 . . . A 37 ARG HE . 17849 1 431 . 1 1 37 37 ARG C C 13 181.371 0.000 . 1 . . . A 37 ARG C . 17849 1 432 . 1 1 37 37 ARG CA C 13 58.887 0.000 . 1 . . . A 37 ARG CA . 17849 1 433 . 1 1 37 37 ARG CB C 13 30.098 0.000 . 1 . . . A 37 ARG CB . 17849 1 434 . 1 1 37 37 ARG CG C 13 28.981 0.009 . 1 . . . A 37 ARG CG . 17849 1 435 . 1 1 37 37 ARG CD C 13 43.593 0.000 . 1 . . . A 37 ARG CD . 17849 1 436 . 1 1 37 37 ARG CZ C 13 159.338 0.000 . 1 . . . A 37 ARG CZ . 17849 1 437 . 1 1 37 37 ARG N N 15 118.384 0.000 . 1 . . . A 37 ARG N . 17849 1 438 . 1 1 37 37 ARG NE N 15 84.725 0.000 . 1 . . . A 37 ARG NE . 17849 1 439 . 1 1 38 38 SER H H 1 8.226 0.000 . 1 . . . A 38 SER H . 17849 1 440 . 1 1 38 38 SER HA H 1 4.339 0.000 . 1 . . . A 38 SER HA . 17849 1 441 . 1 1 38 38 SER HB2 H 1 3.981 0.000 . 2 . . . A 38 SER HB2 . 17849 1 442 . 1 1 38 38 SER HB3 H 1 4.098 0.000 . 2 . . . A 38 SER HB3 . 17849 1 443 . 1 1 38 38 SER C C 13 174.705 0.000 . 1 . . . A 38 SER C . 17849 1 444 . 1 1 38 38 SER CA C 13 61.793 0.009 . 1 . . . A 38 SER CA . 17849 1 445 . 1 1 38 38 SER CB C 13 62.713 0.008 . 1 . . . A 38 SER CB . 17849 1 446 . 1 1 38 38 SER N N 15 118.916 0.000 . 1 . . . A 38 SER N . 17849 1 447 . 1 1 39 39 LEU H H 1 7.331 0.000 . 1 . . . A 39 LEU H . 17849 1 448 . 1 1 39 39 LEU HA H 1 4.296 0.000 . 1 . . . A 39 LEU HA . 17849 1 449 . 1 1 39 39 LEU HB2 H 1 1.564 0.000 . 2 . . . A 39 LEU HB2 . 17849 1 450 . 1 1 39 39 LEU HB3 H 1 1.802 0.000 . 2 . . . A 39 LEU HB3 . 17849 1 451 . 1 1 39 39 LEU HG H 1 1.741 0.000 . 1 . . . A 39 LEU HG . 17849 1 452 . 1 1 39 39 LEU HD11 H 1 0.537 0.000 . . . . . A 39 LEU HD11 . 17849 1 453 . 1 1 39 39 LEU HD12 H 1 0.537 0.000 . . . . . A 39 LEU HD12 . 17849 1 454 . 1 1 39 39 LEU HD13 H 1 0.537 0.000 . . . . . A 39 LEU HD13 . 17849 1 455 . 1 1 39 39 LEU HD21 H 1 0.589 0.000 . . . . . A 39 LEU HD21 . 17849 1 456 . 1 1 39 39 LEU HD22 H 1 0.589 0.000 . . . . . A 39 LEU HD22 . 17849 1 457 . 1 1 39 39 LEU HD23 H 1 0.589 0.000 . . . . . A 39 LEU HD23 . 17849 1 458 . 1 1 39 39 LEU C C 13 176.723 0.000 . 1 . . . A 39 LEU C . 17849 1 459 . 1 1 39 39 LEU CA C 13 54.560 0.000 . 1 . . . A 39 LEU CA . 17849 1 460 . 1 1 39 39 LEU CB C 13 41.989 0.009 . 1 . . . A 39 LEU CB . 17849 1 461 . 1 1 39 39 LEU CG C 13 26.022 0.000 . 1 . . . A 39 LEU CG . 17849 1 462 . 1 1 39 39 LEU CD1 C 13 26.364 0.000 . 2 . . . A 39 LEU CD1 . 17849 1 463 . 1 1 39 39 LEU CD2 C 13 22.812 0.000 . 2 . . . A 39 LEU CD2 . 17849 1 464 . 1 1 39 39 LEU N N 15 119.948 0.000 . 1 . . . A 39 LEU N . 17849 1 465 . 1 1 40 40 GLY H H 1 7.889 0.000 . 1 . . . A 40 GLY H . 17849 1 466 . 1 1 40 40 GLY HA2 H 1 3.750 0.000 . . . . . A 40 GLY HA2 . 17849 1 467 . 1 1 40 40 GLY HA3 H 1 4.255 0.000 . 2 . . . A 40 GLY HA3 . 17849 1 468 . 1 1 40 40 GLY C C 13 174.405 0.000 . 1 . . . A 40 GLY C . 17849 1 469 . 1 1 40 40 GLY CA C 13 45.188 0.006 . 1 . . . A 40 GLY CA . 17849 1 470 . 1 1 40 40 GLY N N 15 105.997 0.000 . 1 . . . A 40 GLY N . 17849 1 471 . 1 1 41 41 LEU H H 1 7.592 0.000 . 1 . . . A 41 LEU H . 17849 1 472 . 1 1 41 41 LEU HA H 1 4.486 0.000 . 1 . . . A 41 LEU HA . 17849 1 473 . 1 1 41 41 LEU HB2 H 1 1.506 0.000 . 2 . . . A 41 LEU HB2 . 17849 1 474 . 1 1 41 41 LEU HB3 H 1 1.506 0.000 . 2 . . . A 41 LEU HB3 . 17849 1 475 . 1 1 41 41 LEU HG H 1 1.523 0.000 . 1 . . . A 41 LEU HG . 17849 1 476 . 1 1 41 41 LEU HD11 H 1 0.798 0.000 . . . . . A 41 LEU HD11 . 17849 1 477 . 1 1 41 41 LEU HD12 H 1 0.798 0.000 . . . . . A 41 LEU HD12 . 17849 1 478 . 1 1 41 41 LEU HD13 H 1 0.798 0.000 . . . . . A 41 LEU HD13 . 17849 1 479 . 1 1 41 41 LEU HD21 H 1 0.847 0.000 . . . . . A 41 LEU HD21 . 17849 1 480 . 1 1 41 41 LEU HD22 H 1 0.847 0.000 . . . . . A 41 LEU HD22 . 17849 1 481 . 1 1 41 41 LEU HD23 H 1 0.847 0.000 . . . . . A 41 LEU HD23 . 17849 1 482 . 1 1 41 41 LEU C C 13 175.829 0.000 . 1 . . . A 41 LEU C . 17849 1 483 . 1 1 41 41 LEU CA C 13 54.187 0.000 . 1 . . . A 41 LEU CA . 17849 1 484 . 1 1 41 41 LEU CB C 13 42.573 0.000 . 1 . . . A 41 LEU CB . 17849 1 485 . 1 1 41 41 LEU CG C 13 27.440 0.000 . 1 . . . A 41 LEU CG . 17849 1 486 . 1 1 41 41 LEU CD1 C 13 22.511 0.000 . 2 . . . A 41 LEU CD1 . 17849 1 487 . 1 1 41 41 LEU CD2 C 13 25.395 0.000 . 2 . . . A 41 LEU CD2 . 17849 1 488 . 1 1 41 41 LEU N N 15 120.071 0.000 . 1 . . . A 41 LEU N . 17849 1 489 . 1 1 42 42 SER H H 1 8.761 0.000 . 1 . . . A 42 SER H . 17849 1 490 . 1 1 42 42 SER HA H 1 4.797 0.000 . 1 . . . A 42 SER HA . 17849 1 491 . 1 1 42 42 SER HB2 H 1 3.715 0.000 . 2 . . . A 42 SER HB2 . 17849 1 492 . 1 1 42 42 SER HB3 H 1 3.805 0.000 . 2 . . . A 42 SER HB3 . 17849 1 493 . 1 1 42 42 SER CA C 13 54.960 0.000 . 1 . . . A 42 SER CA . 17849 1 494 . 1 1 42 42 SER CB C 13 63.177 0.001 . 1 . . . A 42 SER CB . 17849 1 495 . 1 1 42 42 SER N N 15 112.869 0.000 . 1 . . . A 42 SER N . 17849 1 496 . 1 1 43 43 PRO HA H 1 4.708 0.000 . 1 . . . A 43 PRO HA . 17849 1 497 . 1 1 43 43 PRO HB2 H 1 2.122 0.000 . 2 . . . A 43 PRO HB2 . 17849 1 498 . 1 1 43 43 PRO HB3 H 1 2.065 0.000 . 2 . . . A 43 PRO HB3 . 17849 1 499 . 1 1 43 43 PRO HG2 H 1 1.882 0.000 . 2 . . . A 43 PRO HG2 . 17849 1 500 . 1 1 43 43 PRO HG3 H 1 1.929 0.000 . 2 . . . A 43 PRO HG3 . 17849 1 501 . 1 1 43 43 PRO HD2 H 1 3.534 0.000 . 2 . . . A 43 PRO HD2 . 17849 1 502 . 1 1 43 43 PRO HD3 H 1 3.215 0.000 . 2 . . . A 43 PRO HD3 . 17849 1 503 . 1 1 43 43 PRO C C 13 177.533 0.000 . 1 . . . A 43 PRO C . 17849 1 504 . 1 1 43 43 PRO CA C 13 62.175 0.000 . 1 . . . A 43 PRO CA . 17849 1 505 . 1 1 43 43 PRO CB C 13 31.874 0.001 . 1 . . . A 43 PRO CB . 17849 1 506 . 1 1 43 43 PRO CG C 13 26.700 0.003 . 1 . . . A 43 PRO CG . 17849 1 507 . 1 1 43 43 PRO CD C 13 49.680 0.000 . 1 . . . A 43 PRO CD . 17849 1 508 . 1 1 44 44 SER H H 1 9.014 0.000 . 1 . . . A 44 SER H . 17849 1 509 . 1 1 44 44 SER HA H 1 4.574 0.000 . 1 . . . A 44 SER HA . 17849 1 510 . 1 1 44 44 SER HB2 H 1 4.069 0.000 . 2 . . . A 44 SER HB2 . 17849 1 511 . 1 1 44 44 SER HB3 H 1 4.403 0.000 . 2 . . . A 44 SER HB3 . 17849 1 512 . 1 1 44 44 SER C C 13 174.803 0.000 . 1 . . . A 44 SER C . 17849 1 513 . 1 1 44 44 SER CA C 13 56.786 0.000 . 1 . . . A 44 SER CA . 17849 1 514 . 1 1 44 44 SER CB C 13 65.387 0.001 . 1 . . . A 44 SER CB . 17849 1 515 . 1 1 44 44 SER N N 15 119.089 0.000 . 1 . . . A 44 SER N . 17849 1 516 . 1 1 45 45 GLU H H 1 8.925 0.000 . 1 . . . A 45 GLU H . 17849 1 517 . 1 1 45 45 GLU HA H 1 3.944 0.000 . 1 . . . A 45 GLU HA . 17849 1 518 . 1 1 45 45 GLU HB2 H 1 2.037 0.000 . 2 . . . A 45 GLU HB2 . 17849 1 519 . 1 1 45 45 GLU HB3 H 1 2.037 0.000 . 2 . . . A 45 GLU HB3 . 17849 1 520 . 1 1 45 45 GLU HG2 H 1 2.283 0.000 . 2 . . . A 45 GLU HG2 . 17849 1 521 . 1 1 45 45 GLU HG3 H 1 2.366 0.000 . 2 . . . A 45 GLU HG3 . 17849 1 522 . 1 1 45 45 GLU C C 13 178.978 0.000 . 1 . . . A 45 GLU C . 17849 1 523 . 1 1 45 45 GLU CA C 13 60.106 0.000 . 1 . . . A 45 GLU CA . 17849 1 524 . 1 1 45 45 GLU CB C 13 29.303 0.000 . 1 . . . A 45 GLU CB . 17849 1 525 . 1 1 45 45 GLU CG C 13 36.511 0.005 . 1 . . . A 45 GLU CG . 17849 1 526 . 1 1 45 45 GLU N N 15 121.343 0.000 . 1 . . . A 45 GLU N . 17849 1 527 . 1 1 46 46 ALA H H 1 8.339 0.000 . 1 . . . A 46 ALA H . 17849 1 528 . 1 1 46 46 ALA HA H 1 4.146 0.000 . 1 . . . A 46 ALA HA . 17849 1 529 . 1 1 46 46 ALA HB1 H 1 1.423 0.000 . . . . . A 46 ALA HB1 . 17849 1 530 . 1 1 46 46 ALA HB2 H 1 1.423 0.000 . . . . . A 46 ALA HB2 . 17849 1 531 . 1 1 46 46 ALA HB3 H 1 1.423 0.000 . . . . . A 46 ALA HB3 . 17849 1 532 . 1 1 46 46 ALA C C 13 179.782 0.000 . 1 . . . A 46 ALA C . 17849 1 533 . 1 1 46 46 ALA CA C 13 55.086 0.000 . 1 . . . A 46 ALA CA . 17849 1 534 . 1 1 46 46 ALA CB C 13 18.256 0.000 . 1 . . . A 46 ALA CB . 17849 1 535 . 1 1 46 46 ALA N N 15 120.822 0.000 . 1 . . . A 46 ALA N . 17849 1 536 . 1 1 47 47 GLU H H 1 7.759 0.000 . 1 . . . A 47 GLU H . 17849 1 537 . 1 1 47 47 GLU HA H 1 4.074 0.000 . 1 . . . A 47 GLU HA . 17849 1 538 . 1 1 47 47 GLU HB2 H 1 1.967 0.000 . 2 . . . A 47 GLU HB2 . 17849 1 539 . 1 1 47 47 GLU HB3 H 1 2.341 0.000 . 2 . . . A 47 GLU HB3 . 17849 1 540 . 1 1 47 47 GLU HG2 H 1 2.344 0.000 . 2 . . . A 47 GLU HG2 . 17849 1 541 . 1 1 47 47 GLU HG3 H 1 2.344 0.000 . 2 . . . A 47 GLU HG3 . 17849 1 542 . 1 1 47 47 GLU C C 13 180.222 0.000 . 1 . . . A 47 GLU C . 17849 1 543 . 1 1 47 47 GLU CA C 13 59.209 0.000 . 1 . . . A 47 GLU CA . 17849 1 544 . 1 1 47 47 GLU CB C 13 29.885 0.010 . 1 . . . A 47 GLU CB . 17849 1 545 . 1 1 47 47 GLU CG C 13 37.500 0.000 . 1 . . . A 47 GLU CG . 17849 1 546 . 1 1 47 47 GLU N N 15 118.432 0.000 . 1 . . . A 47 GLU N . 17849 1 547 . 1 1 48 48 VAL H H 1 8.174 0.000 . 1 . . . A 48 VAL H . 17849 1 548 . 1 1 48 48 VAL HA H 1 3.498 0.000 . 1 . . . A 48 VAL HA . 17849 1 549 . 1 1 48 48 VAL HB H 1 2.189 0.000 . 1 . . . A 48 VAL HB . 17849 1 550 . 1 1 48 48 VAL HG11 H 1 1.004 0.000 . . . . . A 48 VAL HG11 . 17849 1 551 . 1 1 48 48 VAL HG12 H 1 1.004 0.000 . . . . . A 48 VAL HG12 . 17849 1 552 . 1 1 48 48 VAL HG13 H 1 1.004 0.000 . . . . . A 48 VAL HG13 . 17849 1 553 . 1 1 48 48 VAL HG21 H 1 1.027 0.000 . . . . . A 48 VAL HG21 . 17849 1 554 . 1 1 48 48 VAL HG22 H 1 1.027 0.000 . . . . . A 48 VAL HG22 . 17849 1 555 . 1 1 48 48 VAL HG23 H 1 1.027 0.000 . . . . . A 48 VAL HG23 . 17849 1 556 . 1 1 48 48 VAL C C 13 177.380 0.000 . 1 . . . A 48 VAL C . 17849 1 557 . 1 1 48 48 VAL CA C 13 67.258 0.000 . 1 . . . A 48 VAL CA . 17849 1 558 . 1 1 48 48 VAL CB C 13 31.361 0.000 . 1 . . . A 48 VAL CB . 17849 1 559 . 1 1 48 48 VAL CG1 C 13 23.052 0.000 . 2 . . . A 48 VAL CG1 . 17849 1 560 . 1 1 48 48 VAL CG2 C 13 21.925 0.000 . 2 . . . A 48 VAL CG2 . 17849 1 561 . 1 1 48 48 VAL N N 15 120.023 0.000 . 1 . . . A 48 VAL N . 17849 1 562 . 1 1 49 49 ASN H H 1 8.208 0.000 . 1 . . . A 49 ASN H . 17849 1 563 . 1 1 49 49 ASN HA H 1 4.405 0.000 . 1 . . . A 49 ASN HA . 17849 1 564 . 1 1 49 49 ASN HB2 H 1 2.890 0.000 . 2 . . . A 49 ASN HB2 . 17849 1 565 . 1 1 49 49 ASN HB3 H 1 2.890 0.000 . 2 . . . A 49 ASN HB3 . 17849 1 566 . 1 1 49 49 ASN HD21 H 1 7.742 0.002 . 2 . . . A 49 ASN HD21 . 17849 1 567 . 1 1 49 49 ASN HD22 H 1 7.090 0.001 . 2 . . . A 49 ASN HD22 . 17849 1 568 . 1 1 49 49 ASN C C 13 177.352 0.000 . 1 . . . A 49 ASN C . 17849 1 569 . 1 1 49 49 ASN CA C 13 56.710 0.000 . 1 . . . A 49 ASN CA . 17849 1 570 . 1 1 49 49 ASN CB C 13 38.270 0.000 . 1 . . . A 49 ASN CB . 17849 1 571 . 1 1 49 49 ASN CG C 13 176.361 0.012 . 1 . . . A 49 ASN CG . 17849 1 572 . 1 1 49 49 ASN N N 15 118.475 0.000 . 1 . . . A 49 ASN N . 17849 1 573 . 1 1 49 49 ASN ND2 N 15 113.813 0.000 . 1 . . . A 49 ASN ND2 . 17849 1 574 . 1 1 50 50 ASP H H 1 8.400 0.000 . 1 . . . A 50 ASP H . 17849 1 575 . 1 1 50 50 ASP HA H 1 4.482 0.000 . 1 . . . A 50 ASP HA . 17849 1 576 . 1 1 50 50 ASP HB2 H 1 2.688 0.000 . 2 . . . A 50 ASP HB2 . 17849 1 577 . 1 1 50 50 ASP HB3 H 1 2.802 0.000 . 2 . . . A 50 ASP HB3 . 17849 1 578 . 1 1 50 50 ASP C C 13 178.973 0.000 . 1 . . . A 50 ASP C . 17849 1 579 . 1 1 50 50 ASP CA C 13 57.440 0.000 . 1 . . . A 50 ASP CA . 17849 1 580 . 1 1 50 50 ASP CB C 13 40.180 0.004 . 1 . . . A 50 ASP CB . 17849 1 581 . 1 1 50 50 ASP N N 15 120.147 0.000 . 1 . . . A 50 ASP N . 17849 1 582 . 1 1 51 51 LEU H H 1 7.830 0.000 . 1 . . . A 51 LEU H . 17849 1 583 . 1 1 51 51 LEU HA H 1 4.108 0.000 . 1 . . . A 51 LEU HA . 17849 1 584 . 1 1 51 51 LEU HB2 H 1 1.838 0.000 . 2 . . . A 51 LEU HB2 . 17849 1 585 . 1 1 51 51 LEU HB3 H 1 1.719 0.000 . 2 . . . A 51 LEU HB3 . 17849 1 586 . 1 1 51 51 LEU HG H 1 1.719 0.000 . 1 . . . A 51 LEU HG . 17849 1 587 . 1 1 51 51 LEU HD11 H 1 0.902 0.000 . . . . . A 51 LEU HD11 . 17849 1 588 . 1 1 51 51 LEU HD12 H 1 0.902 0.000 . . . . . A 51 LEU HD12 . 17849 1 589 . 1 1 51 51 LEU HD13 H 1 0.902 0.000 . . . . . A 51 LEU HD13 . 17849 1 590 . 1 1 51 51 LEU HD21 H 1 0.868 0.000 . . . . . A 51 LEU HD21 . 17849 1 591 . 1 1 51 51 LEU HD22 H 1 0.868 0.000 . . . . . A 51 LEU HD22 . 17849 1 592 . 1 1 51 51 LEU HD23 H 1 0.868 0.000 . . . . . A 51 LEU HD23 . 17849 1 593 . 1 1 51 51 LEU C C 13 178.796 0.000 . 1 . . . A 51 LEU C . 17849 1 594 . 1 1 51 51 LEU CA C 13 58.132 0.000 . 1 . . . A 51 LEU CA . 17849 1 595 . 1 1 51 51 LEU CB C 13 41.890 0.002 . 1 . . . A 51 LEU CB . 17849 1 596 . 1 1 51 51 LEU CG C 13 26.960 0.000 . 1 . . . A 51 LEU CG . 17849 1 597 . 1 1 51 51 LEU CD1 C 13 24.876 0.000 . 2 . . . A 51 LEU CD1 . 17849 1 598 . 1 1 51 51 LEU CD2 C 13 25.542 0.000 . 2 . . . A 51 LEU CD2 . 17849 1 599 . 1 1 51 51 LEU N N 15 121.706 0.000 . 1 . . . A 51 LEU N . 17849 1 600 . 1 1 52 52 MET H H 1 8.601 0.000 . 1 . . . A 52 MET H . 17849 1 601 . 1 1 52 52 MET HA H 1 4.145 0.000 . 1 . . . A 52 MET HA . 17849 1 602 . 1 1 52 52 MET HB2 H 1 2.075 0.000 . 2 . . . A 52 MET HB2 . 17849 1 603 . 1 1 52 52 MET HB3 H 1 2.075 0.000 . 2 . . . A 52 MET HB3 . 17849 1 604 . 1 1 52 52 MET HG2 H 1 2.368 0.000 . 2 . . . A 52 MET HG2 . 17849 1 605 . 1 1 52 52 MET HG3 H 1 2.368 0.000 . 2 . . . A 52 MET HG3 . 17849 1 606 . 1 1 52 52 MET HE1 H 1 1.938 0.000 . . . . . A 52 MET HE1 . 17849 1 607 . 1 1 52 52 MET HE2 H 1 1.938 0.000 . . . . . A 52 MET HE2 . 17849 1 608 . 1 1 52 52 MET HE3 H 1 1.938 0.000 . . . . . A 52 MET HE3 . 17849 1 609 . 1 1 52 52 MET C C 13 178.260 0.000 . 1 . . . A 52 MET C . 17849 1 610 . 1 1 52 52 MET CA C 13 57.418 0.000 . 1 . . . A 52 MET CA . 17849 1 611 . 1 1 52 52 MET CB C 13 30.089 0.000 . 1 . . . A 52 MET CB . 17849 1 612 . 1 1 52 52 MET CG C 13 31.610 0.000 . 1 . . . A 52 MET CG . 17849 1 613 . 1 1 52 52 MET CE C 13 16.540 0.000 . 1 . . . A 52 MET CE . 17849 1 614 . 1 1 52 52 MET N N 15 117.267 0.000 . 1 . . . A 52 MET N . 17849 1 615 . 1 1 53 53 ASN H H 1 8.239 0.000 . 1 . . . A 53 ASN H . 17849 1 616 . 1 1 53 53 ASN HA H 1 4.573 0.000 . 1 . . . A 53 ASN HA . 17849 1 617 . 1 1 53 53 ASN HB2 H 1 2.919 0.000 . 2 . . . A 53 ASN HB2 . 17849 1 618 . 1 1 53 53 ASN HB3 H 1 2.998 0.000 . 2 . . . A 53 ASN HB3 . 17849 1 619 . 1 1 53 53 ASN HD21 H 1 7.844 0.001 . 2 . . . A 53 ASN HD21 . 17849 1 620 . 1 1 53 53 ASN HD22 H 1 6.796 0.001 . 2 . . . A 53 ASN HD22 . 17849 1 621 . 1 1 53 53 ASN C C 13 176.890 0.000 . 1 . . . A 53 ASN C . 17849 1 622 . 1 1 53 53 ASN CA C 13 55.332 0.000 . 1 . . . A 53 ASN CA . 17849 1 623 . 1 1 53 53 ASN CB C 13 38.154 0.002 . 1 . . . A 53 ASN CB . 17849 1 624 . 1 1 53 53 ASN CG C 13 176.328 0.013 . 1 . . . A 53 ASN CG . 17849 1 625 . 1 1 53 53 ASN N N 15 115.368 0.000 . 1 . . . A 53 ASN N . 17849 1 626 . 1 1 53 53 ASN ND2 N 15 112.091 0.000 . 1 . . . A 53 ASN ND2 . 17849 1 627 . 1 1 54 54 GLU H H 1 7.625 0.000 . 1 . . . A 54 GLU H . 17849 1 628 . 1 1 54 54 GLU HA H 1 4.250 0.000 . 1 . . . A 54 GLU HA . 17849 1 629 . 1 1 54 54 GLU HB2 H 1 2.162 0.000 . 2 . . . A 54 GLU HB2 . 17849 1 630 . 1 1 54 54 GLU HB3 H 1 2.207 0.000 . 2 . . . A 54 GLU HB3 . 17849 1 631 . 1 1 54 54 GLU HG2 H 1 2.311 0.000 . 2 . . . A 54 GLU HG2 . 17849 1 632 . 1 1 54 54 GLU HG3 H 1 2.384 0.000 . 2 . . . A 54 GLU HG3 . 17849 1 633 . 1 1 54 54 GLU C C 13 177.019 0.000 . 1 . . . A 54 GLU C . 17849 1 634 . 1 1 54 54 GLU CA C 13 57.687 0.000 . 1 . . . A 54 GLU CA . 17849 1 635 . 1 1 54 54 GLU CB C 13 30.093 0.001 . 1 . . . A 54 GLU CB . 17849 1 636 . 1 1 54 54 GLU CG C 13 35.700 0.001 . 1 . . . A 54 GLU CG . 17849 1 637 . 1 1 54 54 GLU N N 15 117.437 0.000 . 1 . . . A 54 GLU N . 17849 1 638 . 1 1 55 55 ILE H H 1 7.496 0.000 . 1 . . . A 55 ILE H . 17849 1 639 . 1 1 55 55 ILE HA H 1 3.901 0.000 . 1 . . . A 55 ILE HA . 17849 1 640 . 1 1 55 55 ILE HB H 1 1.606 0.000 . 1 . . . A 55 ILE HB . 17849 1 641 . 1 1 55 55 ILE HG12 H 1 0.886 0.000 . 2 . . . A 55 ILE HG12 . 17849 1 642 . 1 1 55 55 ILE HG13 H 1 1.896 0.000 . 2 . . . A 55 ILE HG13 . 17849 1 643 . 1 1 55 55 ILE HG21 H 1 0.909 0.000 . . . . . A 55 ILE HG21 . 17849 1 644 . 1 1 55 55 ILE HG22 H 1 0.909 0.000 . . . . . A 55 ILE HG22 . 17849 1 645 . 1 1 55 55 ILE HG23 H 1 0.909 0.000 . . . . . A 55 ILE HG23 . 17849 1 646 . 1 1 55 55 ILE HD11 H 1 0.737 0.000 . . . . . A 55 ILE HD11 . 17849 1 647 . 1 1 55 55 ILE HD12 H 1 0.737 0.000 . . . . . A 55 ILE HD12 . 17849 1 648 . 1 1 55 55 ILE HD13 H 1 0.737 0.000 . . . . . A 55 ILE HD13 . 17849 1 649 . 1 1 55 55 ILE C C 13 176.027 0.000 . 1 . . . A 55 ILE C . 17849 1 650 . 1 1 55 55 ILE CA C 13 62.637 0.000 . 1 . . . A 55 ILE CA . 17849 1 651 . 1 1 55 55 ILE CB C 13 40.036 0.000 . 1 . . . A 55 ILE CB . 17849 1 652 . 1 1 55 55 ILE CG1 C 13 27.494 0.002 . 1 . . . A 55 ILE CG1 . 17849 1 653 . 1 1 55 55 ILE CG2 C 13 19.162 0.000 . 1 . . . A 55 ILE CG2 . 17849 1 654 . 1 1 55 55 ILE CD1 C 13 13.888 0.000 . 1 . . . A 55 ILE CD1 . 17849 1 655 . 1 1 55 55 ILE N N 15 117.098 0.000 . 1 . . . A 55 ILE N . 17849 1 656 . 1 1 56 56 ASP H H 1 8.329 0.000 . 1 . . . A 56 ASP H . 17849 1 657 . 1 1 56 56 ASP HA H 1 4.417 0.000 . 1 . . . A 56 ASP HA . 17849 1 658 . 1 1 56 56 ASP HB2 H 1 2.462 0.000 . 2 . . . A 56 ASP HB2 . 17849 1 659 . 1 1 56 56 ASP HB3 H 1 2.807 0.000 . 2 . . . A 56 ASP HB3 . 17849 1 660 . 1 1 56 56 ASP C C 13 175.761 0.000 . 1 . . . A 56 ASP C . 17849 1 661 . 1 1 56 56 ASP CA C 13 54.407 0.000 . 1 . . . A 56 ASP CA . 17849 1 662 . 1 1 56 56 ASP CB C 13 41.233 0.005 . 1 . . . A 56 ASP CB . 17849 1 663 . 1 1 56 56 ASP N N 15 118.367 0.000 . 1 . . . A 56 ASP N . 17849 1 664 . 1 1 57 57 VAL H H 1 8.116 0.000 . 1 . . . A 57 VAL H . 17849 1 665 . 1 1 57 57 VAL HA H 1 4.006 0.000 . 1 . . . A 57 VAL HA . 17849 1 666 . 1 1 57 57 VAL HB H 1 2.177 0.000 . 1 . . . A 57 VAL HB . 17849 1 667 . 1 1 57 57 VAL HG11 H 1 0.936 0.000 . . . . . A 57 VAL HG11 . 17849 1 668 . 1 1 57 57 VAL HG12 H 1 0.936 0.000 . . . . . A 57 VAL HG12 . 17849 1 669 . 1 1 57 57 VAL HG13 H 1 0.936 0.000 . . . . . A 57 VAL HG13 . 17849 1 670 . 1 1 57 57 VAL HG21 H 1 1.076 0.000 . . . . . A 57 VAL HG21 . 17849 1 671 . 1 1 57 57 VAL HG22 H 1 1.076 0.000 . . . . . A 57 VAL HG22 . 17849 1 672 . 1 1 57 57 VAL HG23 H 1 1.076 0.000 . . . . . A 57 VAL HG23 . 17849 1 673 . 1 1 57 57 VAL C C 13 177.253 0.000 . 1 . . . A 57 VAL C . 17849 1 674 . 1 1 57 57 VAL CA C 13 64.225 0.000 . 1 . . . A 57 VAL CA . 17849 1 675 . 1 1 57 57 VAL CB C 13 33.186 0.000 . 1 . . . A 57 VAL CB . 17849 1 676 . 1 1 57 57 VAL CG1 C 13 21.112 0.000 . 2 . . . A 57 VAL CG1 . 17849 1 677 . 1 1 57 57 VAL CG2 C 13 21.501 0.000 . 2 . . . A 57 VAL CG2 . 17849 1 678 . 1 1 57 57 VAL N N 15 126.262 0.000 . 1 . . . A 57 VAL N . 17849 1 679 . 1 1 58 58 ASP H H 1 8.356 0.000 . 1 . . . A 58 ASP H . 17849 1 680 . 1 1 58 58 ASP HA H 1 4.572 0.000 . 1 . . . A 58 ASP HA . 17849 1 681 . 1 1 58 58 ASP HB2 H 1 2.673 0.000 . 2 . . . A 58 ASP HB2 . 17849 1 682 . 1 1 58 58 ASP HB3 H 1 2.964 0.000 . 2 . . . A 58 ASP HB3 . 17849 1 683 . 1 1 58 58 ASP C C 13 177.670 0.000 . 1 . . . A 58 ASP C . 17849 1 684 . 1 1 58 58 ASP CA C 13 53.805 0.000 . 1 . . . A 58 ASP CA . 17849 1 685 . 1 1 58 58 ASP CB C 13 39.993 0.009 . 1 . . . A 58 ASP CB . 17849 1 686 . 1 1 58 58 ASP N N 15 116.896 0.000 . 1 . . . A 58 ASP N . 17849 1 687 . 1 1 59 59 GLY H H 1 7.622 0.000 . 1 . . . A 59 GLY H . 17849 1 688 . 1 1 59 59 GLY HA2 H 1 3.742 0.000 . . . . . A 59 GLY HA2 . 17849 1 689 . 1 1 59 59 GLY HA3 H 1 3.988 0.000 . 2 . . . A 59 GLY HA3 . 17849 1 690 . 1 1 59 59 GLY C C 13 174.661 0.000 . 1 . . . A 59 GLY C . 17849 1 691 . 1 1 59 59 GLY CA C 13 47.079 0.001 . 1 . . . A 59 GLY CA . 17849 1 692 . 1 1 59 59 GLY N N 15 107.989 0.000 . 1 . . . A 59 GLY N . 17849 1 693 . 1 1 60 60 ASN H H 1 8.096 0.000 . 1 . . . A 60 ASN H . 17849 1 694 . 1 1 60 60 ASN HA H 1 4.542 0.000 . 1 . . . A 60 ASN HA . 17849 1 695 . 1 1 60 60 ASN HB2 H 1 2.679 0.000 . 2 . . . A 60 ASN HB2 . 17849 1 696 . 1 1 60 60 ASN HB3 H 1 3.198 0.000 . 2 . . . A 60 ASN HB3 . 17849 1 697 . 1 1 60 60 ASN HD21 H 1 9.034 0.002 . 2 . . . A 60 ASN HD21 . 17849 1 698 . 1 1 60 60 ASN HD22 H 1 7.699 0.001 . 2 . . . A 60 ASN HD22 . 17849 1 699 . 1 1 60 60 ASN C C 13 175.787 0.000 . 1 . . . A 60 ASN C . 17849 1 700 . 1 1 60 60 ASN CA C 13 52.283 0.000 . 1 . . . A 60 ASN CA . 17849 1 701 . 1 1 60 60 ASN CB C 13 37.184 0.004 . 1 . . . A 60 ASN CB . 17849 1 702 . 1 1 60 60 ASN CG C 13 179.035 0.009 . 1 . . . A 60 ASN CG . 17849 1 703 . 1 1 60 60 ASN N N 15 118.703 0.000 . 1 . . . A 60 ASN N . 17849 1 704 . 1 1 60 60 ASN ND2 N 15 118.076 0.001 . 1 . . . A 60 ASN ND2 . 17849 1 705 . 1 1 61 61 HIS H H 1 9.998 0.000 . 1 . . . A 61 HIS H . 17849 1 706 . 1 1 61 61 HIS HA H 1 3.868 0.000 . 1 . . . A 61 HIS HA . 17849 1 707 . 1 1 61 61 HIS HB2 H 1 3.403 0.000 . 2 . . . A 61 HIS HB2 . 17849 1 708 . 1 1 61 61 HIS HB3 H 1 3.551 0.000 . 2 . . . A 61 HIS HB3 . 17849 1 709 . 1 1 61 61 HIS C C 13 172.407 0.000 . 1 . . . A 61 HIS C . 17849 1 710 . 1 1 61 61 HIS CA C 13 56.428 0.000 . 1 . . . A 61 HIS CA . 17849 1 711 . 1 1 61 61 HIS CB C 13 26.973 0.002 . 1 . . . A 61 HIS CB . 17849 1 712 . 1 1 61 61 HIS N N 15 117.475 0.000 . 1 . . . A 61 HIS N . 17849 1 713 . 1 1 62 62 GLN H H 1 7.541 0.000 . 1 . . . A 62 GLN H . 17849 1 714 . 1 1 62 62 GLN HA H 1 4.809 0.000 . 1 . . . A 62 GLN HA . 17849 1 715 . 1 1 62 62 GLN HB2 H 1 1.770 0.000 . 2 . . . A 62 GLN HB2 . 17849 1 716 . 1 1 62 62 GLN HB3 H 1 1.988 0.000 . 2 . . . A 62 GLN HB3 . 17849 1 717 . 1 1 62 62 GLN HG2 H 1 2.148 0.000 . 2 . . . A 62 GLN HG2 . 17849 1 718 . 1 1 62 62 GLN HG3 H 1 2.269 0.000 . 2 . . . A 62 GLN HG3 . 17849 1 719 . 1 1 62 62 GLN HE21 H 1 7.147 0.000 . 2 . . . A 62 GLN HE21 . 17849 1 720 . 1 1 62 62 GLN HE22 H 1 6.623 0.000 . 2 . . . A 62 GLN HE22 . 17849 1 721 . 1 1 62 62 GLN C C 13 174.654 0.000 . 1 . . . A 62 GLN C . 17849 1 722 . 1 1 62 62 GLN CA C 13 53.808 0.000 . 1 . . . A 62 GLN CA . 17849 1 723 . 1 1 62 62 GLN CB C 13 32.125 0.002 . 1 . . . A 62 GLN CB . 17849 1 724 . 1 1 62 62 GLN CG C 13 33.424 0.003 . 1 . . . A 62 GLN CG . 17849 1 725 . 1 1 62 62 GLN CD C 13 180.011 0.010 . 1 . . . A 62 GLN CD . 17849 1 726 . 1 1 62 62 GLN N N 15 112.629 0.000 . 1 . . . A 62 GLN N . 17849 1 727 . 1 1 62 62 GLN NE2 N 15 110.320 0.000 . 1 . . . A 62 GLN NE2 . 17849 1 728 . 1 1 63 63 ILE H H 1 9.312 0.000 . 1 . . . A 63 ILE H . 17849 1 729 . 1 1 63 63 ILE HA H 1 5.046 0.000 . 1 . . . A 63 ILE HA . 17849 1 730 . 1 1 63 63 ILE HB H 1 2.128 0.000 . 1 . . . A 63 ILE HB . 17849 1 731 . 1 1 63 63 ILE HG12 H 1 0.903 0.000 . 2 . . . A 63 ILE HG12 . 17849 1 732 . 1 1 63 63 ILE HG13 H 1 1.676 0.000 . 2 . . . A 63 ILE HG13 . 17849 1 733 . 1 1 63 63 ILE HG21 H 1 1.114 0.000 . . . . . A 63 ILE HG21 . 17849 1 734 . 1 1 63 63 ILE HG22 H 1 1.114 0.000 . . . . . A 63 ILE HG22 . 17849 1 735 . 1 1 63 63 ILE HG23 H 1 1.114 0.000 . . . . . A 63 ILE HG23 . 17849 1 736 . 1 1 63 63 ILE HD11 H 1 0.871 0.000 . . . . . A 63 ILE HD11 . 17849 1 737 . 1 1 63 63 ILE HD12 H 1 0.871 0.000 . . . . . A 63 ILE HD12 . 17849 1 738 . 1 1 63 63 ILE HD13 H 1 0.871 0.000 . . . . . A 63 ILE HD13 . 17849 1 739 . 1 1 63 63 ILE C C 13 176.626 0.000 . 1 . . . A 63 ILE C . 17849 1 740 . 1 1 63 63 ILE CA C 13 59.893 0.000 . 1 . . . A 63 ILE CA . 17849 1 741 . 1 1 63 63 ILE CB C 13 39.180 0.000 . 1 . . . A 63 ILE CB . 17849 1 742 . 1 1 63 63 ILE CG1 C 13 27.124 0.002 . 1 . . . A 63 ILE CG1 . 17849 1 743 . 1 1 63 63 ILE CG2 C 13 18.591 0.000 . 1 . . . A 63 ILE CG2 . 17849 1 744 . 1 1 63 63 ILE CD1 C 13 13.953 0.000 . 1 . . . A 63 ILE CD1 . 17849 1 745 . 1 1 63 63 ILE N N 15 123.800 0.000 . 1 . . . A 63 ILE N . 17849 1 746 . 1 1 64 64 GLU H H 1 8.846 0.000 . 1 . . . A 64 GLU H . 17849 1 747 . 1 1 64 64 GLU HA H 1 4.976 0.000 . 1 . . . A 64 GLU HA . 17849 1 748 . 1 1 64 64 GLU HB2 H 1 2.034 0.000 . 2 . . . A 64 GLU HB2 . 17849 1 749 . 1 1 64 64 GLU HB3 H 1 2.364 0.000 . 2 . . . A 64 GLU HB3 . 17849 1 750 . 1 1 64 64 GLU HG2 H 1 2.294 0.000 . 2 . . . A 64 GLU HG2 . 17849 1 751 . 1 1 64 64 GLU HG3 H 1 2.597 0.000 . 2 . . . A 64 GLU HG3 . 17849 1 752 . 1 1 64 64 GLU C C 13 178.001 0.000 . 1 . . . A 64 GLU C . 17849 1 753 . 1 1 64 64 GLU CA C 13 57.720 0.000 . 1 . . . A 64 GLU CA . 17849 1 754 . 1 1 64 64 GLU CB C 13 31.228 0.012 . 1 . . . A 64 GLU CB . 17849 1 755 . 1 1 64 64 GLU CG C 13 39.389 0.006 . 1 . . . A 64 GLU CG . 17849 1 756 . 1 1 64 64 GLU N N 15 128.941 0.000 . 1 . . . A 64 GLU N . 17849 1 757 . 1 1 65 65 PHE H H 1 9.488 0.000 . 1 . . . A 65 PHE H . 17849 1 758 . 1 1 65 65 PHE HA H 1 3.526 0.000 . 1 . . . A 65 PHE HA . 17849 1 759 . 1 1 65 65 PHE HB2 H 1 2.212 0.000 . 2 . . . A 65 PHE HB2 . 17849 1 760 . 1 1 65 65 PHE HB3 H 1 2.627 0.000 . 2 . . . A 65 PHE HB3 . 17849 1 761 . 1 1 65 65 PHE HD1 H 1 6.697 0.005 . 3 . . . A 65 PHE HD1 . 17849 1 762 . 1 1 65 65 PHE HD2 H 1 6.697 0.005 . 3 . . . A 65 PHE HD2 . 17849 1 763 . 1 1 65 65 PHE HE1 H 1 7.129 0.000 . 3 . . . A 65 PHE HE1 . 17849 1 764 . 1 1 65 65 PHE HE2 H 1 7.129 0.000 . 3 . . . A 65 PHE HE2 . 17849 1 765 . 1 1 65 65 PHE HZ H 1 7.372 0.000 . 1 . . . A 65 PHE HZ . 17849 1 766 . 1 1 65 65 PHE C C 13 176.981 0.000 . 1 . . . A 65 PHE C . 17849 1 767 . 1 1 65 65 PHE CA C 13 62.264 0.000 . 1 . . . A 65 PHE CA . 17849 1 768 . 1 1 65 65 PHE CB C 13 37.824 0.020 . 1 . . . A 65 PHE CB . 17849 1 769 . 1 1 65 65 PHE CD1 C 13 131.764 0.000 . 3 . . . A 65 PHE CD1 . 17849 1 770 . 1 1 65 65 PHE CE1 C 13 130.529 0.000 . 3 . . . A 65 PHE CE1 . 17849 1 771 . 1 1 65 65 PHE CZ C 13 129.728 0.000 . 1 . . . A 65 PHE CZ . 17849 1 772 . 1 1 65 65 PHE N N 15 124.119 0.000 . 1 . . . A 65 PHE N . 17849 1 773 . 1 1 66 66 SER H H 1 8.972 0.000 . 1 . . . A 66 SER H . 17849 1 774 . 1 1 66 66 SER HA H 1 3.667 0.000 . 1 . . . A 66 SER HA . 17849 1 775 . 1 1 66 66 SER HB2 H 1 3.812 0.000 . 2 . . . A 66 SER HB2 . 17849 1 776 . 1 1 66 66 SER HB3 H 1 3.901 0.000 . 2 . . . A 66 SER HB3 . 17849 1 777 . 1 1 66 66 SER C C 13 177.385 0.000 . 1 . . . A 66 SER C . 17849 1 778 . 1 1 66 66 SER CA C 13 61.503 0.000 . 1 . . . A 66 SER CA . 17849 1 779 . 1 1 66 66 SER CB C 13 61.285 0.007 . 1 . . . A 66 SER CB . 17849 1 780 . 1 1 66 66 SER N N 15 112.445 0.000 . 1 . . . A 66 SER N . 17849 1 781 . 1 1 67 67 GLU H H 1 6.799 0.000 . 1 . . . A 67 GLU H . 17849 1 782 . 1 1 67 67 GLU HA H 1 4.120 0.000 . 1 . . . A 67 GLU HA . 17849 1 783 . 1 1 67 67 GLU HB2 H 1 2.257 0.000 . 2 . . . A 67 GLU HB2 . 17849 1 784 . 1 1 67 67 GLU HB3 H 1 2.753 0.000 . 2 . . . A 67 GLU HB3 . 17849 1 785 . 1 1 67 67 GLU HG2 H 1 2.444 0.000 . 2 . . . A 67 GLU HG2 . 17849 1 786 . 1 1 67 67 GLU HG3 H 1 2.536 0.000 . 2 . . . A 67 GLU HG3 . 17849 1 787 . 1 1 67 67 GLU C C 13 178.567 0.000 . 1 . . . A 67 GLU C . 17849 1 788 . 1 1 67 67 GLU CA C 13 57.843 0.000 . 1 . . . A 67 GLU CA . 17849 1 789 . 1 1 67 67 GLU CB C 13 29.249 0.003 . 1 . . . A 67 GLU CB . 17849 1 790 . 1 1 67 67 GLU CG C 13 36.395 0.008 . 1 . . . A 67 GLU CG . 17849 1 791 . 1 1 67 67 GLU N N 15 122.775 0.000 . 1 . . . A 67 GLU N . 17849 1 792 . 1 1 68 68 PHE H H 1 8.176 0.000 . 1 . . . A 68 PHE H . 17849 1 793 . 1 1 68 68 PHE HA H 1 3.831 0.000 . 1 . . . A 68 PHE HA . 17849 1 794 . 1 1 68 68 PHE HB2 H 1 2.964 0.000 . 2 . . . A 68 PHE HB2 . 17849 1 795 . 1 1 68 68 PHE HB3 H 1 3.364 0.000 . 2 . . . A 68 PHE HB3 . 17849 1 796 . 1 1 68 68 PHE HD1 H 1 6.816 0.005 . 3 . . . A 68 PHE HD1 . 17849 1 797 . 1 1 68 68 PHE HD2 H 1 6.816 0.005 . 3 . . . A 68 PHE HD2 . 17849 1 798 . 1 1 68 68 PHE HE1 H 1 6.910 0.000 . 3 . . . A 68 PHE HE1 . 17849 1 799 . 1 1 68 68 PHE HE2 H 1 6.910 0.000 . 3 . . . A 68 PHE HE2 . 17849 1 800 . 1 1 68 68 PHE HZ H 1 7.061 0.000 . 1 . . . A 68 PHE HZ . 17849 1 801 . 1 1 68 68 PHE C C 13 175.936 0.000 . 1 . . . A 68 PHE C . 17849 1 802 . 1 1 68 68 PHE CA C 13 61.116 0.000 . 1 . . . A 68 PHE CA . 17849 1 803 . 1 1 68 68 PHE CB C 13 40.215 0.014 . 1 . . . A 68 PHE CB . 17849 1 804 . 1 1 68 68 PHE CD1 C 13 131.607 0.000 . 3 . . . A 68 PHE CD1 . 17849 1 805 . 1 1 68 68 PHE CE1 C 13 131.324 0.000 . 3 . . . A 68 PHE CE1 . 17849 1 806 . 1 1 68 68 PHE CZ C 13 129.453 0.000 . 1 . . . A 68 PHE CZ . 17849 1 807 . 1 1 68 68 PHE N N 15 123.231 0.000 . 1 . . . A 68 PHE N . 17849 1 808 . 1 1 69 69 LEU H H 1 8.626 0.000 . 1 . . . A 69 LEU H . 17849 1 809 . 1 1 69 69 LEU HA H 1 3.166 0.000 . 1 . . . A 69 LEU HA . 17849 1 810 . 1 1 69 69 LEU HB2 H 1 0.910 0.000 . 2 . . . A 69 LEU HB2 . 17849 1 811 . 1 1 69 69 LEU HB3 H 1 1.109 0.000 . 2 . . . A 69 LEU HB3 . 17849 1 812 . 1 1 69 69 LEU HG H 1 0.902 0.000 . 1 . . . A 69 LEU HG . 17849 1 813 . 1 1 69 69 LEU HD11 H 1 0.509 0.000 . . . . . A 69 LEU HD11 . 17849 1 814 . 1 1 69 69 LEU HD12 H 1 0.509 0.000 . . . . . A 69 LEU HD12 . 17849 1 815 . 1 1 69 69 LEU HD13 H 1 0.509 0.000 . . . . . A 69 LEU HD13 . 17849 1 816 . 1 1 69 69 LEU HD21 H 1 0.398 0.000 . . . . . A 69 LEU HD21 . 17849 1 817 . 1 1 69 69 LEU HD22 H 1 0.398 0.000 . . . . . A 69 LEU HD22 . 17849 1 818 . 1 1 69 69 LEU HD23 H 1 0.398 0.000 . . . . . A 69 LEU HD23 . 17849 1 819 . 1 1 69 69 LEU C C 13 179.074 0.000 . 1 . . . A 69 LEU C . 17849 1 820 . 1 1 69 69 LEU CA C 13 57.132 0.000 . 1 . . . A 69 LEU CA . 17849 1 821 . 1 1 69 69 LEU CB C 13 41.266 0.000 . 1 . . . A 69 LEU CB . 17849 1 822 . 1 1 69 69 LEU CG C 13 25.849 0.000 . 1 . . . A 69 LEU CG . 17849 1 823 . 1 1 69 69 LEU CD1 C 13 24.186 0.000 . 2 . . . A 69 LEU CD1 . 17849 1 824 . 1 1 69 69 LEU CD2 C 13 24.375 0.000 . 2 . . . A 69 LEU CD2 . 17849 1 825 . 1 1 69 69 LEU N N 15 118.554 0.000 . 1 . . . A 69 LEU N . 17849 1 826 . 1 1 70 70 ALA H H 1 7.322 0.000 . 1 . . . A 70 ALA H . 17849 1 827 . 1 1 70 70 ALA HA H 1 3.885 0.000 . 1 . . . A 70 ALA HA . 17849 1 828 . 1 1 70 70 ALA HB1 H 1 1.396 0.000 . . . . . A 70 ALA HB1 . 17849 1 829 . 1 1 70 70 ALA HB2 H 1 1.396 0.000 . . . . . A 70 ALA HB2 . 17849 1 830 . 1 1 70 70 ALA HB3 H 1 1.396 0.000 . . . . . A 70 ALA HB3 . 17849 1 831 . 1 1 70 70 ALA C C 13 179.914 0.000 . 1 . . . A 70 ALA C . 17849 1 832 . 1 1 70 70 ALA CA C 13 54.970 0.000 . 1 . . . A 70 ALA CA . 17849 1 833 . 1 1 70 70 ALA CB C 13 17.777 0.000 . 1 . . . A 70 ALA CB . 17849 1 834 . 1 1 70 70 ALA N N 15 120.878 0.000 . 1 . . . A 70 ALA N . 17849 1 835 . 1 1 71 71 LEU H H 1 7.219 0.000 . 1 . . . A 71 LEU H . 17849 1 836 . 1 1 71 71 LEU HA H 1 3.928 0.000 . 1 . . . A 71 LEU HA . 17849 1 837 . 1 1 71 71 LEU HB2 H 1 1.431 0.000 . 2 . . . A 71 LEU HB2 . 17849 1 838 . 1 1 71 71 LEU HB3 H 1 1.826 0.000 . 2 . . . A 71 LEU HB3 . 17849 1 839 . 1 1 71 71 LEU HG H 1 1.241 0.000 . 1 . . . A 71 LEU HG . 17849 1 840 . 1 1 71 71 LEU HD11 H 1 0.412 0.000 . . . . . A 71 LEU HD11 . 17849 1 841 . 1 1 71 71 LEU HD12 H 1 0.412 0.000 . . . . . A 71 LEU HD12 . 17849 1 842 . 1 1 71 71 LEU HD13 H 1 0.412 0.000 . . . . . A 71 LEU HD13 . 17849 1 843 . 1 1 71 71 LEU HD21 H 1 0.675 0.000 . . . . . A 71 LEU HD21 . 17849 1 844 . 1 1 71 71 LEU HD22 H 1 0.675 0.000 . . . . . A 71 LEU HD22 . 17849 1 845 . 1 1 71 71 LEU HD23 H 1 0.675 0.000 . . . . . A 71 LEU HD23 . 17849 1 846 . 1 1 71 71 LEU C C 13 178.009 0.000 . 1 . . . A 71 LEU C . 17849 1 847 . 1 1 71 71 LEU CA C 13 57.744 0.000 . 1 . . . A 71 LEU CA . 17849 1 848 . 1 1 71 71 LEU CB C 13 41.412 0.003 . 1 . . . A 71 LEU CB . 17849 1 849 . 1 1 71 71 LEU CG C 13 26.839 0.000 . 1 . . . A 71 LEU CG . 17849 1 850 . 1 1 71 71 LEU CD1 C 13 25.252 0.000 . 2 . . . A 71 LEU CD1 . 17849 1 851 . 1 1 71 71 LEU CD2 C 13 23.220 0.000 . 2 . . . A 71 LEU CD2 . 17849 1 852 . 1 1 71 71 LEU N N 15 118.871 0.000 . 1 . . . A 71 LEU N . 17849 1 853 . 1 1 72 72 MET H H 1 7.486 0.000 . 1 . . . A 72 MET H . 17849 1 854 . 1 1 72 72 MET HA H 1 4.165 0.000 . 1 . . . A 72 MET HA . 17849 1 855 . 1 1 72 72 MET HB2 H 1 1.216 0.000 . 2 . . . A 72 MET HB2 . 17849 1 856 . 1 1 72 72 MET HB3 H 1 1.589 0.000 . 2 . . . A 72 MET HB3 . 17849 1 857 . 1 1 72 72 MET HG2 H 1 1.571 0.000 . 2 . . . A 72 MET HG2 . 17849 1 858 . 1 1 72 72 MET HG3 H 1 1.643 0.000 . 2 . . . A 72 MET HG3 . 17849 1 859 . 1 1 72 72 MET HE1 H 1 1.255 0.000 . . . . . A 72 MET HE1 . 17849 1 860 . 1 1 72 72 MET HE2 H 1 1.255 0.000 . . . . . A 72 MET HE2 . 17849 1 861 . 1 1 72 72 MET HE3 H 1 1.255 0.000 . . . . . A 72 MET HE3 . 17849 1 862 . 1 1 72 72 MET CA C 13 55.413 0.000 . 1 . . . A 72 MET CA . 17849 1 863 . 1 1 72 72 MET CB C 13 31.199 0.000 . 1 . . . A 72 MET CB . 17849 1 864 . 1 1 72 72 MET CG C 13 32.087 0.009 . 1 . . . A 72 MET CG . 17849 1 865 . 1 1 72 72 MET CE C 13 17.828 0.000 . 1 . . . A 72 MET CE . 17849 1 866 . 1 1 72 72 MET N N 15 113.480 0.000 . 1 . . . A 72 MET N . 17849 1 867 . 1 1 73 73 SER H H 1 7.699 0.000 . 1 . . . A 73 SER H . 17849 1 868 . 1 1 73 73 SER HA H 1 4.337 0.000 . 1 . . . A 73 SER HA . 17849 1 869 . 1 1 73 73 SER HB2 H 1 3.764 0.000 . 2 . . . A 73 SER HB2 . 17849 1 870 . 1 1 73 73 SER HB3 H 1 3.764 0.000 . 2 . . . A 73 SER HB3 . 17849 1 871 . 1 1 73 73 SER C C 13 174.241 0.000 . 1 . . . A 73 SER C . 17849 1 872 . 1 1 73 73 SER CA C 13 59.132 0.024 . 1 . . . A 73 SER CA . 17849 1 873 . 1 1 73 73 SER CB C 13 63.649 0.000 . 1 . . . A 73 SER CB . 17849 1 874 . 1 1 74 74 ARG H H 1 7.400 0.000 . 1 . . . A 74 ARG H . 17849 1 875 . 1 1 74 74 ARG HA H 1 4.211 0.000 . 1 . . . A 74 ARG HA . 17849 1 876 . 1 1 74 74 ARG HB2 H 1 1.863 0.000 . 2 . . . A 74 ARG HB2 . 17849 1 877 . 1 1 74 74 ARG HB3 H 1 1.863 0.000 . 2 . . . A 74 ARG HB3 . 17849 1 878 . 1 1 74 74 ARG HG2 H 1 1.627 0.000 . 2 . . . A 74 ARG HG2 . 17849 1 879 . 1 1 74 74 ARG HG3 H 1 1.776 0.000 . 2 . . . A 74 ARG HG3 . 17849 1 880 . 1 1 74 74 ARG HD2 H 1 3.135 0.000 . 2 . . . A 74 ARG HD2 . 17849 1 881 . 1 1 74 74 ARG HD3 H 1 3.135 0.000 . 2 . . . A 74 ARG HD3 . 17849 1 882 . 1 1 74 74 ARG HE H 1 7.285 0.000 . 1 . . . A 74 ARG HE . 17849 1 883 . 1 1 74 74 ARG C C 13 175.638 0.000 . 1 . . . A 74 ARG C . 17849 1 884 . 1 1 74 74 ARG CA C 13 56.850 0.000 . 1 . . . A 74 ARG CA . 17849 1 885 . 1 1 74 74 ARG CB C 13 30.672 0.000 . 1 . . . A 74 ARG CB . 17849 1 886 . 1 1 74 74 ARG CG C 13 27.251 0.001 . 1 . . . A 74 ARG CG . 17849 1 887 . 1 1 74 74 ARG CD C 13 43.901 0.000 . 1 . . . A 74 ARG CD . 17849 1 888 . 1 1 74 74 ARG CZ C 13 159.678 0.000 . 1 . . . A 74 ARG CZ . 17849 1 889 . 1 1 74 74 ARG N N 15 121.213 0.000 . 1 . . . A 74 ARG N . 17849 1 890 . 1 1 74 74 ARG NE N 15 84.292 0.000 . 1 . . . A 74 ARG NE . 17849 1 891 . 1 1 75 75 GLN H H 1 8.090 0.000 . 1 . . . A 75 GLN H . 17849 1 892 . 1 1 75 75 GLN HB2 H 1 1.970 0.000 . 2 . . . A 75 GLN HB2 . 17849 1 893 . 1 1 75 75 GLN HB3 H 1 2.105 0.000 . 2 . . . A 75 GLN HB3 . 17849 1 894 . 1 1 75 75 GLN HG2 H 1 2.360 0.000 . 2 . . . A 75 GLN HG2 . 17849 1 895 . 1 1 75 75 GLN HG3 H 1 2.360 0.000 . 2 . . . A 75 GLN HG3 . 17849 1 896 . 1 1 75 75 GLN HE21 H 1 7.500 0.001 . 2 . . . A 75 GLN HE21 . 17849 1 897 . 1 1 75 75 GLN HE22 H 1 6.954 0.001 . 2 . . . A 75 GLN HE22 . 17849 1 898 . 1 1 75 75 GLN CB C 13 29.315 0.002 . 1 . . . A 75 GLN CB . 17849 1 899 . 1 1 75 75 GLN CG C 13 34.146 0.000 . 1 . . . A 75 GLN CG . 17849 1 900 . 1 1 75 75 GLN CD C 13 180.008 0.001 . 1 . . . A 75 GLN CD . 17849 1 901 . 1 1 75 75 GLN N N 15 118.914 0.000 . 1 . . . A 75 GLN N . 17849 1 902 . 1 1 75 75 GLN NE2 N 15 111.169 0.001 . 1 . . . A 75 GLN NE2 . 17849 1 903 . 1 1 77 77 LYS HA H 1 4.387 0.000 . 1 . . . A 77 LYS HA . 17849 1 904 . 1 1 77 77 LYS HB2 H 1 1.750 0.000 . 2 . . . A 77 LYS HB2 . 17849 1 905 . 1 1 77 77 LYS HB3 H 1 1.857 0.000 . 2 . . . A 77 LYS HB3 . 17849 1 906 . 1 1 77 77 LYS HG2 H 1 1.389 0.000 . 2 . . . A 77 LYS HG2 . 17849 1 907 . 1 1 77 77 LYS HG3 H 1 1.444 0.000 . 2 . . . A 77 LYS HG3 . 17849 1 908 . 1 1 77 77 LYS HD2 H 1 1.678 0.000 . 2 . . . A 77 LYS HD2 . 17849 1 909 . 1 1 77 77 LYS HD3 H 1 1.678 0.000 . 2 . . . A 77 LYS HD3 . 17849 1 910 . 1 1 77 77 LYS HE2 H 1 2.991 0.000 . 2 . . . A 77 LYS HE2 . 17849 1 911 . 1 1 77 77 LYS HE3 H 1 2.991 0.000 . 2 . . . A 77 LYS HE3 . 17849 1 912 . 1 1 77 77 LYS C C 13 176.410 0.000 . 1 . . . A 77 LYS C . 17849 1 913 . 1 1 77 77 LYS CA C 13 56.042 0.000 . 1 . . . A 77 LYS CA . 17849 1 914 . 1 1 77 77 LYS CB C 13 33.157 0.000 . 1 . . . A 77 LYS CB . 17849 1 915 . 1 1 77 77 LYS CG C 13 24.834 0.000 . 1 . . . A 77 LYS CG . 17849 1 916 . 1 1 77 77 LYS CD C 13 29.064 0.000 . 1 . . . A 77 LYS CD . 17849 1 917 . 1 1 77 77 LYS CE C 13 42.139 0.000 . 1 . . . A 77 LYS CE . 17849 1 918 . 1 1 78 78 SER H H 1 8.332 0.000 . 1 . . . A 78 SER H . 17849 1 919 . 1 1 78 78 SER HA H 1 4.422 0.000 . 1 . . . A 78 SER HA . 17849 1 920 . 1 1 78 78 SER HB2 H 1 3.882 0.000 . 2 . . . A 78 SER HB2 . 17849 1 921 . 1 1 78 78 SER HB3 H 1 3.882 0.000 . 2 . . . A 78 SER HB3 . 17849 1 922 . 1 1 78 78 SER C C 13 174.436 0.000 . 1 . . . A 78 SER C . 17849 1 923 . 1 1 78 78 SER CA C 13 58.366 0.000 . 1 . . . A 78 SER CA . 17849 1 924 . 1 1 78 78 SER CB C 13 63.855 0.000 . 1 . . . A 78 SER CB . 17849 1 925 . 1 1 78 78 SER N N 15 116.257 0.000 . 1 . . . A 78 SER N . 17849 1 926 . 1 1 79 79 ASN H H 1 8.548 0.000 . 1 . . . A 79 ASN H . 17849 1 927 . 1 1 79 79 ASN HA H 1 4.727 0.000 . 1 . . . A 79 ASN HA . 17849 1 928 . 1 1 79 79 ASN HB2 H 1 2.810 0.000 . 2 . . . A 79 ASN HB2 . 17849 1 929 . 1 1 79 79 ASN HB3 H 1 2.872 0.000 . 2 . . . A 79 ASN HB3 . 17849 1 930 . 1 1 79 79 ASN HD21 H 1 7.651 0.001 . 2 . . . A 79 ASN HD21 . 17849 1 931 . 1 1 79 79 ASN HD22 H 1 6.943 0.001 . 2 . . . A 79 ASN HD22 . 17849 1 932 . 1 1 79 79 ASN C C 13 174.966 0.000 . 1 . . . A 79 ASN C . 17849 1 933 . 1 1 79 79 ASN CA C 13 53.467 0.000 . 1 . . . A 79 ASN CA . 17849 1 934 . 1 1 79 79 ASN CB C 13 38.869 0.000 . 1 . . . A 79 ASN CB . 17849 1 935 . 1 1 79 79 ASN CG C 13 177.062 0.009 . 1 . . . A 79 ASN CG . 17849 1 936 . 1 1 79 79 ASN N N 15 120.267 0.000 . 1 . . . A 79 ASN N . 17849 1 937 . 1 1 79 79 ASN ND2 N 15 113.002 0.000 . 1 . . . A 79 ASN ND2 . 17849 1 938 . 1 1 80 80 ASP H H 1 8.325 0.000 . 1 . . . A 80 ASP H . 17849 1 939 . 1 1 80 80 ASP HA H 1 4.617 0.000 . 1 . . . A 80 ASP HA . 17849 1 940 . 1 1 80 80 ASP HB2 H 1 2.674 0.000 . 2 . . . A 80 ASP HB2 . 17849 1 941 . 1 1 80 80 ASP HB3 H 1 2.747 0.000 . 2 . . . A 80 ASP HB3 . 17849 1 942 . 1 1 80 80 ASP C C 13 176.412 0.000 . 1 . . . A 80 ASP C . 17849 1 943 . 1 1 80 80 ASP CA C 13 54.710 0.000 . 1 . . . A 80 ASP CA . 17849 1 944 . 1 1 80 80 ASP CB C 13 41.223 0.005 . 1 . . . A 80 ASP CB . 17849 1 945 . 1 1 80 80 ASP N N 15 119.659 0.000 . 1 . . . A 80 ASP N . 17849 1 946 . 1 1 81 81 SER H H 1 8.256 0.000 . 1 . . . A 81 SER H . 17849 1 947 . 1 1 81 81 SER HA H 1 4.414 0.000 . 1 . . . A 81 SER HA . 17849 1 948 . 1 1 81 81 SER HB2 H 1 3.888 0.000 . 2 . . . A 81 SER HB2 . 17849 1 949 . 1 1 81 81 SER HB3 H 1 3.927 0.000 . 2 . . . A 81 SER HB3 . 17849 1 950 . 1 1 81 81 SER C C 13 174.733 0.000 . 1 . . . A 81 SER C . 17849 1 951 . 1 1 81 81 SER CA C 13 59.183 0.000 . 1 . . . A 81 SER CA . 17849 1 952 . 1 1 81 81 SER CB C 13 63.784 0.006 . 1 . . . A 81 SER CB . 17849 1 953 . 1 1 81 81 SER N N 15 115.425 0.000 . 1 . . . A 81 SER N . 17849 1 954 . 1 1 82 82 GLU H H 1 8.375 0.000 . 1 . . . A 82 GLU H . 17849 1 955 . 1 1 82 82 GLU HA H 1 4.323 0.000 . 1 . . . A 82 GLU HA . 17849 1 956 . 1 1 82 82 GLU HB2 H 1 2.015 0.000 . 2 . . . A 82 GLU HB2 . 17849 1 957 . 1 1 82 82 GLU HB3 H 1 2.106 0.000 . 2 . . . A 82 GLU HB3 . 17849 1 958 . 1 1 82 82 GLU HG2 H 1 2.230 0.000 . 2 . . . A 82 GLU HG2 . 17849 1 959 . 1 1 82 82 GLU HG3 H 1 2.293 0.000 . 2 . . . A 82 GLU HG3 . 17849 1 960 . 1 1 82 82 GLU C C 13 176.385 0.000 . 1 . . . A 82 GLU C . 17849 1 961 . 1 1 82 82 GLU CA C 13 56.728 0.000 . 1 . . . A 82 GLU CA . 17849 1 962 . 1 1 82 82 GLU CB C 13 29.872 0.004 . 1 . . . A 82 GLU CB . 17849 1 963 . 1 1 82 82 GLU CG C 13 36.328 0.002 . 1 . . . A 82 GLU CG . 17849 1 964 . 1 1 82 82 GLU N N 15 121.456 0.000 . 1 . . . A 82 GLU N . 17849 1 965 . 1 1 83 83 GLN H H 1 8.233 0.000 . 1 . . . A 83 GLN H . 17849 1 966 . 1 1 83 83 GLN HA H 1 4.305 0.000 . 1 . . . A 83 GLN HA . 17849 1 967 . 1 1 83 83 GLN HB2 H 1 2.025 0.000 . 2 . . . A 83 GLN HB2 . 17849 1 968 . 1 1 83 83 GLN HB3 H 1 2.065 0.000 . 2 . . . A 83 GLN HB3 . 17849 1 969 . 1 1 83 83 GLN HG2 H 1 2.342 0.000 . 2 . . . A 83 GLN HG2 . 17849 1 970 . 1 1 83 83 GLN HG3 H 1 2.342 0.000 . 2 . . . A 83 GLN HG3 . 17849 1 971 . 1 1 83 83 GLN HE21 H 1 7.601 0.001 . 2 . . . A 83 GLN HE21 . 17849 1 972 . 1 1 83 83 GLN HE22 H 1 6.830 0.001 . 2 . . . A 83 GLN HE22 . 17849 1 973 . 1 1 83 83 GLN C C 13 176.054 0.000 . 1 . . . A 83 GLN C . 17849 1 974 . 1 1 83 83 GLN CA C 13 56.147 0.000 . 1 . . . A 83 GLN CA . 17849 1 975 . 1 1 83 83 GLN CB C 13 29.303 0.000 . 1 . . . A 83 GLN CB . 17849 1 976 . 1 1 83 83 GLN CG C 13 33.883 0.000 . 1 . . . A 83 GLN CG . 17849 1 977 . 1 1 83 83 GLN CD C 13 180.157 0.009 . 1 . . . A 83 GLN CD . 17849 1 978 . 1 1 83 83 GLN N N 15 120.069 0.000 . 1 . . . A 83 GLN N . 17849 1 979 . 1 1 83 83 GLN NE2 N 15 112.117 0.001 . 1 . . . A 83 GLN NE2 . 17849 1 980 . 1 1 84 84 GLU H H 1 8.567 0.000 . 1 . . . A 84 GLU H . 17849 1 981 . 1 1 84 84 GLU HA H 1 4.291 0.000 . 1 . . . A 84 GLU HA . 17849 1 982 . 1 1 84 84 GLU HB2 H 1 2.017 0.000 . 2 . . . A 84 GLU HB2 . 17849 1 983 . 1 1 84 84 GLU HB3 H 1 2.017 0.000 . 2 . . . A 84 GLU HB3 . 17849 1 984 . 1 1 84 84 GLU HG2 H 1 2.301 0.000 . 2 . . . A 84 GLU HG2 . 17849 1 985 . 1 1 84 84 GLU HG3 H 1 2.301 0.000 . 2 . . . A 84 GLU HG3 . 17849 1 986 . 1 1 84 84 GLU C C 13 177.528 0.000 . 1 . . . A 84 GLU C . 17849 1 987 . 1 1 84 84 GLU CA C 13 57.198 0.000 . 1 . . . A 84 GLU CA . 17849 1 988 . 1 1 84 84 GLU CB C 13 30.113 0.000 . 1 . . . A 84 GLU CB . 17849 1 989 . 1 1 84 84 GLU CG C 13 36.260 0.000 . 1 . . . A 84 GLU CG . 17849 1 990 . 1 1 84 84 GLU N N 15 122.390 0.000 . 1 . . . A 84 GLU N . 17849 1 991 . 1 1 85 85 LEU H H 1 8.434 0.000 . 1 . . . A 85 LEU H . 17849 1 992 . 1 1 85 85 LEU HA H 1 4.195 0.000 . 1 . . . A 85 LEU HA . 17849 1 993 . 1 1 85 85 LEU HB2 H 1 1.529 0.000 . 2 . . . A 85 LEU HB2 . 17849 1 994 . 1 1 85 85 LEU HB3 H 1 1.657 0.000 . 2 . . . A 85 LEU HB3 . 17849 1 995 . 1 1 85 85 LEU HG H 1 1.662 0.000 . 1 . . . A 85 LEU HG . 17849 1 996 . 1 1 85 85 LEU HD11 H 1 0.839 0.000 . . . . . A 85 LEU HD11 . 17849 1 997 . 1 1 85 85 LEU HD12 H 1 0.839 0.000 . . . . . A 85 LEU HD12 . 17849 1 998 . 1 1 85 85 LEU HD13 H 1 0.839 0.000 . . . . . A 85 LEU HD13 . 17849 1 999 . 1 1 85 85 LEU HD21 H 1 0.880 0.000 . . . . . A 85 LEU HD21 . 17849 1 1000 . 1 1 85 85 LEU HD22 H 1 0.880 0.000 . . . . . A 85 LEU HD22 . 17849 1 1001 . 1 1 85 85 LEU HD23 H 1 0.880 0.000 . . . . . A 85 LEU HD23 . 17849 1 1002 . 1 1 85 85 LEU CA C 13 56.517 0.000 . 1 . . . A 85 LEU CA . 17849 1 1003 . 1 1 85 85 LEU CB C 13 42.416 0.008 . 1 . . . A 85 LEU CB . 17849 1 1004 . 1 1 85 85 LEU CG C 13 27.055 0.000 . 1 . . . A 85 LEU CG . 17849 1 1005 . 1 1 85 85 LEU CD1 C 13 24.509 0.000 . 2 . . . A 85 LEU CD1 . 17849 1 1006 . 1 1 85 85 LEU CD2 C 13 25.081 0.000 . 2 . . . A 85 LEU CD2 . 17849 1 1007 . 1 1 85 85 LEU N N 15 122.788 0.000 . 1 . . . A 85 LEU N . 17849 1 1008 . 1 1 86 86 LEU H H 1 8.037 0.000 . 1 . . . A 86 LEU H . 17849 1 1009 . 1 1 86 86 LEU HA H 1 4.157 0.000 . 1 . . . A 86 LEU HA . 17849 1 1010 . 1 1 86 86 LEU HB2 H 1 1.655 0.000 . 2 . . . A 86 LEU HB2 . 17849 1 1011 . 1 1 86 86 LEU HB3 H 1 1.655 0.000 . 2 . . . A 86 LEU HB3 . 17849 1 1012 . 1 1 86 86 LEU HG H 1 1.658 0.000 . 1 . . . A 86 LEU HG . 17849 1 1013 . 1 1 86 86 LEU HD11 H 1 0.773 0.000 . . . . . A 86 LEU HD11 . 17849 1 1014 . 1 1 86 86 LEU HD12 H 1 0.773 0.000 . . . . . A 86 LEU HD12 . 17849 1 1015 . 1 1 86 86 LEU HD13 H 1 0.773 0.000 . . . . . A 86 LEU HD13 . 17849 1 1016 . 1 1 86 86 LEU HD21 H 1 0.888 0.000 . . . . . A 86 LEU HD21 . 17849 1 1017 . 1 1 86 86 LEU HD22 H 1 0.888 0.000 . . . . . A 86 LEU HD22 . 17849 1 1018 . 1 1 86 86 LEU HD23 H 1 0.888 0.000 . . . . . A 86 LEU HD23 . 17849 1 1019 . 1 1 86 86 LEU CA C 13 56.119 0.000 . 1 . . . A 86 LEU CA . 17849 1 1020 . 1 1 86 86 LEU CB C 13 41.558 0.000 . 1 . . . A 86 LEU CB . 17849 1 1021 . 1 1 86 86 LEU CG C 13 27.115 0.000 . 1 . . . A 86 LEU CG . 17849 1 1022 . 1 1 86 86 LEU CD1 C 13 23.613 0.000 . 2 . . . A 86 LEU CD1 . 17849 1 1023 . 1 1 86 86 LEU CD2 C 13 24.488 0.000 . 2 . . . A 86 LEU CD2 . 17849 1 1024 . 1 1 86 86 LEU N N 15 119.558 0.000 . 1 . . . A 86 LEU N . 17849 1 1025 . 1 1 87 87 GLU H H 1 8.192 0.000 . 1 . . . A 87 GLU H . 17849 1 1026 . 1 1 87 87 GLU HA H 1 3.923 0.000 . 1 . . . A 87 GLU HA . 17849 1 1027 . 1 1 87 87 GLU HB2 H 1 2.082 0.000 . 2 . . . A 87 GLU HB2 . 17849 1 1028 . 1 1 87 87 GLU HB3 H 1 2.168 0.000 . 2 . . . A 87 GLU HB3 . 17849 1 1029 . 1 1 87 87 GLU HG2 H 1 2.348 0.000 . 2 . . . A 87 GLU HG2 . 17849 1 1030 . 1 1 87 87 GLU HG3 H 1 2.348 0.000 . 2 . . . A 87 GLU HG3 . 17849 1 1031 . 1 1 87 87 GLU CA C 13 59.547 0.000 . 1 . . . A 87 GLU CA . 17849 1 1032 . 1 1 87 87 GLU CB C 13 29.343 0.004 . 1 . . . A 87 GLU CB . 17849 1 1033 . 1 1 87 87 GLU CG C 13 35.975 0.000 . 1 . . . A 87 GLU CG . 17849 1 1034 . 1 1 87 87 GLU N N 15 121.323 0.000 . 1 . . . A 87 GLU N . 17849 1 1035 . 1 1 88 88 ALA H H 1 8.363 0.000 . 1 . . . A 88 ALA H . 17849 1 1036 . 1 1 88 88 ALA HA H 1 4.076 0.000 . 1 . . . A 88 ALA HA . 17849 1 1037 . 1 1 88 88 ALA HB1 H 1 1.298 0.000 . . . . . A 88 ALA HB1 . 17849 1 1038 . 1 1 88 88 ALA HB2 H 1 1.298 0.000 . . . . . A 88 ALA HB2 . 17849 1 1039 . 1 1 88 88 ALA HB3 H 1 1.298 0.000 . . . . . A 88 ALA HB3 . 17849 1 1040 . 1 1 88 88 ALA C C 13 178.281 0.000 . 1 . . . A 88 ALA C . 17849 1 1041 . 1 1 88 88 ALA CA C 13 54.481 0.000 . 1 . . . A 88 ALA CA . 17849 1 1042 . 1 1 88 88 ALA CB C 13 18.810 0.000 . 1 . . . A 88 ALA CB . 17849 1 1043 . 1 1 88 88 ALA N N 15 119.942 0.000 . 1 . . . A 88 ALA N . 17849 1 1044 . 1 1 89 89 PHE H H 1 7.855 0.000 . 1 . . . A 89 PHE H . 17849 1 1045 . 1 1 89 89 PHE HA H 1 4.489 0.000 . 1 . . . A 89 PHE HA . 17849 1 1046 . 1 1 89 89 PHE HB2 H 1 3.174 0.000 . 2 . . . A 89 PHE HB2 . 17849 1 1047 . 1 1 89 89 PHE HB3 H 1 3.492 0.000 . 2 . . . A 89 PHE HB3 . 17849 1 1048 . 1 1 89 89 PHE HD1 H 1 7.284 0.001 . 3 . . . A 89 PHE HD1 . 17849 1 1049 . 1 1 89 89 PHE HD2 H 1 7.284 0.001 . 3 . . . A 89 PHE HD2 . 17849 1 1050 . 1 1 89 89 PHE HE1 H 1 7.145 0.000 . 3 . . . A 89 PHE HE1 . 17849 1 1051 . 1 1 89 89 PHE HE2 H 1 7.145 0.000 . 3 . . . A 89 PHE HE2 . 17849 1 1052 . 1 1 89 89 PHE HZ H 1 7.006 0.000 . 1 . . . A 89 PHE HZ . 17849 1 1053 . 1 1 89 89 PHE C C 13 176.632 0.000 . 1 . . . A 89 PHE C . 17849 1 1054 . 1 1 89 89 PHE CA C 13 58.478 0.000 . 1 . . . A 89 PHE CA . 17849 1 1055 . 1 1 89 89 PHE CB C 13 38.642 0.001 . 1 . . . A 89 PHE CB . 17849 1 1056 . 1 1 89 89 PHE CD1 C 13 130.672 0.000 . 3 . . . A 89 PHE CD1 . 17849 1 1057 . 1 1 89 89 PHE CE1 C 13 130.553 0.000 . 3 . . . A 89 PHE CE1 . 17849 1 1058 . 1 1 89 89 PHE CZ C 13 128.359 0.000 . 1 . . . A 89 PHE CZ . 17849 1 1059 . 1 1 89 89 PHE N N 15 111.807 0.000 . 1 . . . A 89 PHE N . 17849 1 1060 . 1 1 90 90 LYS H H 1 7.957 0.000 . 1 . . . A 90 LYS H . 17849 1 1061 . 1 1 90 90 LYS HA H 1 3.998 0.000 . 1 . . . A 90 LYS HA . 17849 1 1062 . 1 1 90 90 LYS HB2 H 1 1.988 0.000 . 2 . . . A 90 LYS HB2 . 17849 1 1063 . 1 1 90 90 LYS HB3 H 1 1.988 0.000 . 2 . . . A 90 LYS HB3 . 17849 1 1064 . 1 1 90 90 LYS HG2 H 1 1.558 0.000 . 2 . . . A 90 LYS HG2 . 17849 1 1065 . 1 1 90 90 LYS HG3 H 1 1.608 0.000 . 2 . . . A 90 LYS HG3 . 17849 1 1066 . 1 1 90 90 LYS HD2 H 1 1.745 0.000 . 2 . . . A 90 LYS HD2 . 17849 1 1067 . 1 1 90 90 LYS HD3 H 1 1.745 0.000 . 2 . . . A 90 LYS HD3 . 17849 1 1068 . 1 1 90 90 LYS HE2 H 1 2.965 0.000 . 2 . . . A 90 LYS HE2 . 17849 1 1069 . 1 1 90 90 LYS HE3 H 1 3.019 0.000 . 2 . . . A 90 LYS HE3 . 17849 1 1070 . 1 1 90 90 LYS C C 13 178.490 0.000 . 1 . . . A 90 LYS C . 17849 1 1071 . 1 1 90 90 LYS CA C 13 59.994 0.000 . 1 . . . A 90 LYS CA . 17849 1 1072 . 1 1 90 90 LYS CB C 13 31.914 0.000 . 1 . . . A 90 LYS CB . 17849 1 1073 . 1 1 90 90 LYS CG C 13 25.930 0.004 . 1 . . . A 90 LYS CG . 17849 1 1074 . 1 1 90 90 LYS CD C 13 29.608 0.000 . 1 . . . A 90 LYS CD . 17849 1 1075 . 1 1 90 90 LYS CE C 13 42.034 0.000 . 1 . . . A 90 LYS CE . 17849 1 1076 . 1 1 90 90 LYS N N 15 120.375 0.000 . 1 . . . A 90 LYS N . 17849 1 1077 . 1 1 91 91 VAL H H 1 7.389 0.000 . 1 . . . A 91 VAL H . 17849 1 1078 . 1 1 91 91 VAL HA H 1 3.874 0.000 . 1 . . . A 91 VAL HA . 17849 1 1079 . 1 1 91 91 VAL HB H 1 1.987 0.000 . 1 . . . A 91 VAL HB . 17849 1 1080 . 1 1 91 91 VAL HG11 H 1 0.470 0.000 . . . . . A 91 VAL HG11 . 17849 1 1081 . 1 1 91 91 VAL HG12 H 1 0.470 0.000 . . . . . A 91 VAL HG12 . 17849 1 1082 . 1 1 91 91 VAL HG13 H 1 0.470 0.000 . . . . . A 91 VAL HG13 . 17849 1 1083 . 1 1 91 91 VAL HG21 H 1 0.697 0.000 . . . . . A 91 VAL HG21 . 17849 1 1084 . 1 1 91 91 VAL HG22 H 1 0.697 0.000 . . . . . A 91 VAL HG22 . 17849 1 1085 . 1 1 91 91 VAL HG23 H 1 0.697 0.000 . . . . . A 91 VAL HG23 . 17849 1 1086 . 1 1 91 91 VAL C C 13 175.413 0.000 . 1 . . . A 91 VAL C . 17849 1 1087 . 1 1 91 91 VAL CA C 13 63.693 0.000 . 1 . . . A 91 VAL CA . 17849 1 1088 . 1 1 91 91 VAL CB C 13 31.234 0.000 . 1 . . . A 91 VAL CB . 17849 1 1089 . 1 1 91 91 VAL CG1 C 13 20.153 0.000 . 2 . . . A 91 VAL CG1 . 17849 1 1090 . 1 1 91 91 VAL CG2 C 13 20.765 0.000 . 2 . . . A 91 VAL CG2 . 17849 1 1091 . 1 1 91 91 VAL N N 15 116.643 0.000 . 1 . . . A 91 VAL N . 17849 1 1092 . 1 1 92 92 PHE H H 1 7.534 0.000 . 1 . . . A 92 PHE H . 17849 1 1093 . 1 1 92 92 PHE HA H 1 4.520 0.000 . 1 . . . A 92 PHE HA . 17849 1 1094 . 1 1 92 92 PHE HB2 H 1 3.057 0.000 . 2 . . . A 92 PHE HB2 . 17849 1 1095 . 1 1 92 92 PHE HB3 H 1 3.289 0.000 . 2 . . . A 92 PHE HB3 . 17849 1 1096 . 1 1 92 92 PHE HD1 H 1 7.419 0.006 . 3 . . . A 92 PHE HD1 . 17849 1 1097 . 1 1 92 92 PHE HD2 H 1 7.419 0.006 . 3 . . . A 92 PHE HD2 . 17849 1 1098 . 1 1 92 92 PHE HE1 H 1 6.936 0.000 . 3 . . . A 92 PHE HE1 . 17849 1 1099 . 1 1 92 92 PHE HE2 H 1 6.936 0.000 . 3 . . . A 92 PHE HE2 . 17849 1 1100 . 1 1 92 92 PHE HZ H 1 6.929 0.000 . 1 . . . A 92 PHE HZ . 17849 1 1101 . 1 1 92 92 PHE CA C 13 59.175 0.000 . 1 . . . A 92 PHE CA . 17849 1 1102 . 1 1 92 92 PHE CB C 13 40.234 0.009 . 1 . . . A 92 PHE CB . 17849 1 1103 . 1 1 92 92 PHE CD1 C 13 131.800 0.000 . 3 . . . A 92 PHE CD1 . 17849 1 1104 . 1 1 92 92 PHE CE1 C 13 130.812 0.000 . 3 . . . A 92 PHE CE1 . 17849 1 1105 . 1 1 92 92 PHE CZ C 13 129.016 0.000 . 1 . . . A 92 PHE CZ . 17849 1 1106 . 1 1 92 92 PHE N N 15 115.769 0.000 . 1 . . . A 92 PHE N . 17849 1 1107 . 1 1 93 93 ASP H H 1 7.543 0.000 . 1 . . . A 93 ASP H . 17849 1 1108 . 1 1 93 93 ASP HA H 1 4.858 0.000 . 1 . . . A 93 ASP HA . 17849 1 1109 . 1 1 93 93 ASP HB2 H 1 2.233 0.000 . 2 . . . A 93 ASP HB2 . 17849 1 1110 . 1 1 93 93 ASP HB3 H 1 3.018 0.000 . 2 . . . A 93 ASP HB3 . 17849 1 1111 . 1 1 93 93 ASP C C 13 177.421 0.000 . 1 . . . A 93 ASP C . 17849 1 1112 . 1 1 93 93 ASP CA C 13 52.466 0.000 . 1 . . . A 93 ASP CA . 17849 1 1113 . 1 1 93 93 ASP CB C 13 38.980 0.008 . 1 . . . A 93 ASP CB . 17849 1 1114 . 1 1 93 93 ASP N N 15 115.397 0.000 . 1 . . . A 93 ASP N . 17849 1 1115 . 1 1 94 94 LYS H H 1 7.873 0.000 . 1 . . . A 94 LYS H . 17849 1 1116 . 1 1 94 94 LYS HA H 1 4.079 0.000 . 1 . . . A 94 LYS HA . 17849 1 1117 . 1 1 94 94 LYS HB2 H 1 1.869 0.000 . 2 . . . A 94 LYS HB2 . 17849 1 1118 . 1 1 94 94 LYS HB3 H 1 1.946 0.000 . 2 . . . A 94 LYS HB3 . 17849 1 1119 . 1 1 94 94 LYS HG2 H 1 1.533 0.000 . 2 . . . A 94 LYS HG2 . 17849 1 1120 . 1 1 94 94 LYS HG3 H 1 1.580 0.000 . 2 . . . A 94 LYS HG3 . 17849 1 1121 . 1 1 94 94 LYS HD2 H 1 1.693 0.000 . 2 . . . A 94 LYS HD2 . 17849 1 1122 . 1 1 94 94 LYS HD3 H 1 1.693 0.000 . 2 . . . A 94 LYS HD3 . 17849 1 1123 . 1 1 94 94 LYS HE2 H 1 2.894 0.000 . 2 . . . A 94 LYS HE2 . 17849 1 1124 . 1 1 94 94 LYS HE3 H 1 2.958 0.000 . 2 . . . A 94 LYS HE3 . 17849 1 1125 . 1 1 94 94 LYS C C 13 177.856 0.000 . 1 . . . A 94 LYS C . 17849 1 1126 . 1 1 94 94 LYS CA C 13 57.930 0.000 . 1 . . . A 94 LYS CA . 17849 1 1127 . 1 1 94 94 LYS CB C 13 32.394 0.002 . 1 . . . A 94 LYS CB . 17849 1 1128 . 1 1 94 94 LYS CG C 13 23.814 0.003 . 1 . . . A 94 LYS CG . 17849 1 1129 . 1 1 94 94 LYS CD C 13 27.980 0.000 . 1 . . . A 94 LYS CD . 17849 1 1130 . 1 1 94 94 LYS CE C 13 41.647 0.008 . 1 . . . A 94 LYS CE . 17849 1 1131 . 1 1 94 94 LYS N N 15 125.591 0.000 . 1 . . . A 94 LYS N . 17849 1 1132 . 1 1 95 95 ASN H H 1 8.272 0.000 . 1 . . . A 95 ASN H . 17849 1 1133 . 1 1 95 95 ASN HA H 1 4.797 0.000 . 1 . . . A 95 ASN HA . 17849 1 1134 . 1 1 95 95 ASN HB2 H 1 2.913 0.000 . 2 . . . A 95 ASN HB2 . 17849 1 1135 . 1 1 95 95 ASN HB3 H 1 3.319 0.000 . 2 . . . A 95 ASN HB3 . 17849 1 1136 . 1 1 95 95 ASN HD21 H 1 7.987 0.002 . 2 . . . A 95 ASN HD21 . 17849 1 1137 . 1 1 95 95 ASN HD22 H 1 6.682 0.001 . 2 . . . A 95 ASN HD22 . 17849 1 1138 . 1 1 95 95 ASN C C 13 176.619 0.000 . 1 . . . A 95 ASN C . 17849 1 1139 . 1 1 95 95 ASN CA C 13 51.910 0.000 . 1 . . . A 95 ASN CA . 17849 1 1140 . 1 1 95 95 ASN CB C 13 37.276 0.001 . 1 . . . A 95 ASN CB . 17849 1 1141 . 1 1 95 95 ASN CG C 13 178.182 0.011 . 1 . . . A 95 ASN CG . 17849 1 1142 . 1 1 95 95 ASN N N 15 112.796 0.000 . 1 . . . A 95 ASN N . 17849 1 1143 . 1 1 95 95 ASN ND2 N 15 112.993 0.001 . 1 . . . A 95 ASN ND2 . 17849 1 1144 . 1 1 96 96 GLY H H 1 7.654 0.000 . 1 . . . A 96 GLY H . 17849 1 1145 . 1 1 96 96 GLY HA2 H 1 3.853 0.000 . . . . . A 96 GLY HA2 . 17849 1 1146 . 1 1 96 96 GLY HA3 H 1 3.891 0.000 . 2 . . . A 96 GLY HA3 . 17849 1 1147 . 1 1 96 96 GLY C C 13 174.799 0.000 . 1 . . . A 96 GLY C . 17849 1 1148 . 1 1 96 96 GLY CA C 13 47.571 0.001 . 1 . . . A 96 GLY CA . 17849 1 1149 . 1 1 96 96 GLY N N 15 109.132 0.000 . 1 . . . A 96 GLY N . 17849 1 1150 . 1 1 97 97 ASP H H 1 8.090 0.000 . 1 . . . A 97 ASP H . 17849 1 1151 . 1 1 97 97 ASP HA H 1 4.530 0.000 . 1 . . . A 97 ASP HA . 17849 1 1152 . 1 1 97 97 ASP HB2 H 1 2.471 0.000 . 2 . . . A 97 ASP HB2 . 17849 1 1153 . 1 1 97 97 ASP HB3 H 1 3.118 0.000 . 2 . . . A 97 ASP HB3 . 17849 1 1154 . 1 1 97 97 ASP C C 13 177.137 0.000 . 1 . . . A 97 ASP C . 17849 1 1155 . 1 1 97 97 ASP CA C 13 53.392 0.000 . 1 . . . A 97 ASP CA . 17849 1 1156 . 1 1 97 97 ASP CB C 13 40.389 0.002 . 1 . . . A 97 ASP CB . 17849 1 1157 . 1 1 97 97 ASP N N 15 118.796 0.000 . 1 . . . A 97 ASP N . 17849 1 1158 . 1 1 98 98 GLY H H 1 10.329 0.000 . 1 . . . A 98 GLY H . 17849 1 1159 . 1 1 98 98 GLY HA2 H 1 3.472 0.000 . . . . . A 98 GLY HA2 . 17849 1 1160 . 1 1 98 98 GLY HA3 H 1 4.235 0.000 . 2 . . . A 98 GLY HA3 . 17849 1 1161 . 1 1 98 98 GLY C C 13 172.142 0.000 . 1 . . . A 98 GLY C . 17849 1 1162 . 1 1 98 98 GLY CA C 13 45.724 0.004 . 1 . . . A 98 GLY CA . 17849 1 1163 . 1 1 98 98 GLY N N 15 112.962 0.000 . 1 . . . A 98 GLY N . 17849 1 1164 . 1 1 99 99 LEU H H 1 8.000 0.000 . 1 . . . A 99 LEU H . 17849 1 1165 . 1 1 99 99 LEU HA H 1 4.762 0.000 . 1 . . . A 99 LEU HA . 17849 1 1166 . 1 1 99 99 LEU HB2 H 1 1.443 0.000 . 2 . . . A 99 LEU HB2 . 17849 1 1167 . 1 1 99 99 LEU HB3 H 1 1.587 0.000 . 2 . . . A 99 LEU HB3 . 17849 1 1168 . 1 1 99 99 LEU HG H 1 1.420 0.000 . 1 . . . A 99 LEU HG . 17849 1 1169 . 1 1 99 99 LEU HD11 H 1 0.817 0.000 . . . . . A 99 LEU HD11 . 17849 1 1170 . 1 1 99 99 LEU HD12 H 1 0.817 0.000 . . . . . A 99 LEU HD12 . 17849 1 1171 . 1 1 99 99 LEU HD13 H 1 0.817 0.000 . . . . . A 99 LEU HD13 . 17849 1 1172 . 1 1 99 99 LEU HD21 H 1 0.813 0.000 . . . . . A 99 LEU HD21 . 17849 1 1173 . 1 1 99 99 LEU HD22 H 1 0.813 0.000 . . . . . A 99 LEU HD22 . 17849 1 1174 . 1 1 99 99 LEU HD23 H 1 0.813 0.000 . . . . . A 99 LEU HD23 . 17849 1 1175 . 1 1 99 99 LEU C C 13 176.162 0.000 . 1 . . . A 99 LEU C . 17849 1 1176 . 1 1 99 99 LEU CA C 13 52.824 0.000 . 1 . . . A 99 LEU CA . 17849 1 1177 . 1 1 99 99 LEU CB C 13 44.782 0.000 . 1 . . . A 99 LEU CB . 17849 1 1178 . 1 1 99 99 LEU CG C 13 26.746 0.000 . 1 . . . A 99 LEU CG . 17849 1 1179 . 1 1 99 99 LEU CD1 C 13 25.222 0.000 . 2 . . . A 99 LEU CD1 . 17849 1 1180 . 1 1 99 99 LEU CD2 C 13 23.945 0.000 . 2 . . . A 99 LEU CD2 . 17849 1 1181 . 1 1 99 99 LEU N N 15 119.691 0.000 . 1 . . . A 99 LEU N . 17849 1 1182 . 1 1 100 100 ILE H H 1 9.491 0.000 . 1 . . . A 100 ILE H . 17849 1 1183 . 1 1 100 100 ILE HA H 1 4.674 0.000 . 1 . . . A 100 ILE HA . 17849 1 1184 . 1 1 100 100 ILE HB H 1 2.009 0.000 . 1 . . . A 100 ILE HB . 17849 1 1185 . 1 1 100 100 ILE HG12 H 1 0.940 0.000 . 2 . . . A 100 ILE HG12 . 17849 1 1186 . 1 1 100 100 ILE HG13 H 1 1.574 0.000 . 2 . . . A 100 ILE HG13 . 17849 1 1187 . 1 1 100 100 ILE HG21 H 1 0.916 0.000 . . . . . A 100 ILE HG21 . 17849 1 1188 . 1 1 100 100 ILE HG22 H 1 0.916 0.000 . . . . . A 100 ILE HG22 . 17849 1 1189 . 1 1 100 100 ILE HG23 H 1 0.916 0.000 . . . . . A 100 ILE HG23 . 17849 1 1190 . 1 1 100 100 ILE HD11 H 1 0.981 0.000 . . . . . A 100 ILE HD11 . 17849 1 1191 . 1 1 100 100 ILE HD12 H 1 0.981 0.000 . . . . . A 100 ILE HD12 . 17849 1 1192 . 1 1 100 100 ILE HD13 H 1 0.981 0.000 . . . . . A 100 ILE HD13 . 17849 1 1193 . 1 1 100 100 ILE C C 13 175.006 0.000 . 1 . . . A 100 ILE C . 17849 1 1194 . 1 1 100 100 ILE CA C 13 60.420 0.000 . 1 . . . A 100 ILE CA . 17849 1 1195 . 1 1 100 100 ILE CB C 13 37.811 0.000 . 1 . . . A 100 ILE CB . 17849 1 1196 . 1 1 100 100 ILE CG1 C 13 27.893 0.019 . 1 . . . A 100 ILE CG1 . 17849 1 1197 . 1 1 100 100 ILE CG2 C 13 19.193 0.000 . 1 . . . A 100 ILE CG2 . 17849 1 1198 . 1 1 100 100 ILE CD1 C 13 14.269 0.000 . 1 . . . A 100 ILE CD1 . 17849 1 1199 . 1 1 100 100 ILE N N 15 127.464 0.000 . 1 . . . A 100 ILE N . 17849 1 1200 . 1 1 101 101 SER H H 1 9.058 0.000 . 1 . . . A 101 SER H . 17849 1 1201 . 1 1 101 101 SER HA H 1 4.770 0.000 . 1 . . . A 101 SER HA . 17849 1 1202 . 1 1 101 101 SER HB2 H 1 3.954 0.000 . 2 . . . A 101 SER HB2 . 17849 1 1203 . 1 1 101 101 SER HB3 H 1 4.313 0.000 . 2 . . . A 101 SER HB3 . 17849 1 1204 . 1 1 101 101 SER C C 13 174.847 0.000 . 1 . . . A 101 SER C . 17849 1 1205 . 1 1 101 101 SER CA C 13 55.854 0.000 . 1 . . . A 101 SER CA . 17849 1 1206 . 1 1 101 101 SER CB C 13 65.994 0.002 . 1 . . . A 101 SER CB . 17849 1 1207 . 1 1 101 101 SER N N 15 123.104 0.000 . 1 . . . A 101 SER N . 17849 1 1208 . 1 1 102 102 ALA H H 1 8.587 0.000 . 1 . . . A 102 ALA H . 17849 1 1209 . 1 1 102 102 ALA HA H 1 3.616 0.000 . 1 . . . A 102 ALA HA . 17849 1 1210 . 1 1 102 102 ALA HB1 H 1 0.598 0.000 . . . . . A 102 ALA HB1 . 17849 1 1211 . 1 1 102 102 ALA HB2 H 1 0.598 0.000 . . . . . A 102 ALA HB2 . 17849 1 1212 . 1 1 102 102 ALA HB3 H 1 0.598 0.000 . . . . . A 102 ALA HB3 . 17849 1 1213 . 1 1 102 102 ALA C C 13 179.388 0.000 . 1 . . . A 102 ALA C . 17849 1 1214 . 1 1 102 102 ALA CA C 13 55.724 0.000 . 1 . . . A 102 ALA CA . 17849 1 1215 . 1 1 102 102 ALA CB C 13 17.315 0.000 . 1 . . . A 102 ALA CB . 17849 1 1216 . 1 1 102 102 ALA N N 15 124.316 0.000 . 1 . . . A 102 ALA N . 17849 1 1217 . 1 1 103 103 ALA H H 1 8.266 0.000 . 1 . . . A 103 ALA H . 17849 1 1218 . 1 1 103 103 ALA HA H 1 4.000 0.000 . 1 . . . A 103 ALA HA . 17849 1 1219 . 1 1 103 103 ALA HB1 H 1 1.409 0.000 . . . . . A 103 ALA HB1 . 17849 1 1220 . 1 1 103 103 ALA HB2 H 1 1.409 0.000 . . . . . A 103 ALA HB2 . 17849 1 1221 . 1 1 103 103 ALA HB3 H 1 1.409 0.000 . . . . . A 103 ALA HB3 . 17849 1 1222 . 1 1 103 103 ALA C C 13 181.188 0.000 . 1 . . . A 103 ALA C . 17849 1 1223 . 1 1 103 103 ALA CA C 13 55.058 0.000 . 1 . . . A 103 ALA CA . 17849 1 1224 . 1 1 103 103 ALA CB C 13 18.389 0.000 . 1 . . . A 103 ALA CB . 17849 1 1225 . 1 1 103 103 ALA N N 15 118.346 0.000 . 1 . . . A 103 ALA N . 17849 1 1226 . 1 1 104 104 GLU H H 1 7.928 0.000 . 1 . . . A 104 GLU H . 17849 1 1227 . 1 1 104 104 GLU HA H 1 4.056 0.000 . 1 . . . A 104 GLU HA . 17849 1 1228 . 1 1 104 104 GLU HB2 H 1 2.621 0.000 . 2 . . . A 104 GLU HB2 . 17849 1 1229 . 1 1 104 104 GLU HB3 H 1 2.879 0.000 . 2 . . . A 104 GLU HB3 . 17849 1 1230 . 1 1 104 104 GLU HG2 H 1 2.411 0.000 . 2 . . . A 104 GLU HG2 . 17849 1 1231 . 1 1 104 104 GLU HG3 H 1 2.613 0.000 . 2 . . . A 104 GLU HG3 . 17849 1 1232 . 1 1 104 104 GLU C C 13 178.762 0.000 . 1 . . . A 104 GLU C . 17849 1 1233 . 1 1 104 104 GLU CA C 13 59.968 0.000 . 1 . . . A 104 GLU CA . 17849 1 1234 . 1 1 104 104 GLU CB C 13 28.911 0.002 . 1 . . . A 104 GLU CB . 17849 1 1235 . 1 1 104 104 GLU CG C 13 38.398 0.012 . 1 . . . A 104 GLU CG . 17849 1 1236 . 1 1 104 104 GLU N N 15 120.568 0.000 . 1 . . . A 104 GLU N . 17849 1 1237 . 1 1 105 105 LEU H H 1 7.926 0.000 . 1 . . . A 105 LEU H . 17849 1 1238 . 1 1 105 105 LEU HA H 1 4.029 0.000 . 1 . . . A 105 LEU HA . 17849 1 1239 . 1 1 105 105 LEU HB2 H 1 1.489 0.000 . 2 . . . A 105 LEU HB2 . 17849 1 1240 . 1 1 105 105 LEU HB3 H 1 2.064 0.000 . 2 . . . A 105 LEU HB3 . 17849 1 1241 . 1 1 105 105 LEU HG H 1 1.716 0.000 . 1 . . . A 105 LEU HG . 17849 1 1242 . 1 1 105 105 LEU HD11 H 1 0.543 0.000 . . . . . A 105 LEU HD11 . 17849 1 1243 . 1 1 105 105 LEU HD12 H 1 0.543 0.000 . . . . . A 105 LEU HD12 . 17849 1 1244 . 1 1 105 105 LEU HD13 H 1 0.543 0.000 . . . . . A 105 LEU HD13 . 17849 1 1245 . 1 1 105 105 LEU HD21 H 1 0.955 0.000 . . . . . A 105 LEU HD21 . 17849 1 1246 . 1 1 105 105 LEU HD22 H 1 0.955 0.000 . . . . . A 105 LEU HD22 . 17849 1 1247 . 1 1 105 105 LEU HD23 H 1 0.955 0.000 . . . . . A 105 LEU HD23 . 17849 1 1248 . 1 1 105 105 LEU C C 13 178.497 0.000 . 1 . . . A 105 LEU C . 17849 1 1249 . 1 1 105 105 LEU CA C 13 58.453 0.000 . 1 . . . A 105 LEU CA . 17849 1 1250 . 1 1 105 105 LEU CB C 13 43.192 0.003 . 1 . . . A 105 LEU CB . 17849 1 1251 . 1 1 105 105 LEU CG C 13 26.694 0.000 . 1 . . . A 105 LEU CG . 17849 1 1252 . 1 1 105 105 LEU CD1 C 13 24.099 0.000 . 2 . . . A 105 LEU CD1 . 17849 1 1253 . 1 1 105 105 LEU CD2 C 13 26.014 0.000 . 2 . . . A 105 LEU CD2 . 17849 1 1254 . 1 1 105 105 LEU N N 15 117.903 0.000 . 1 . . . A 105 LEU N . 17849 1 1255 . 1 1 106 106 LYS H H 1 8.337 0.000 . 1 . . . A 106 LYS H . 17849 1 1256 . 1 1 106 106 LYS HA H 1 3.799 0.000 . 1 . . . A 106 LYS HA . 17849 1 1257 . 1 1 106 106 LYS HB2 H 1 1.855 0.000 . 2 . . . A 106 LYS HB2 . 17849 1 1258 . 1 1 106 106 LYS HB3 H 1 1.908 0.000 . 2 . . . A 106 LYS HB3 . 17849 1 1259 . 1 1 106 106 LYS HG2 H 1 1.312 0.000 . 2 . . . A 106 LYS HG2 . 17849 1 1260 . 1 1 106 106 LYS HG3 H 1 1.574 0.000 . 2 . . . A 106 LYS HG3 . 17849 1 1261 . 1 1 106 106 LYS HD2 H 1 1.640 0.000 . 2 . . . A 106 LYS HD2 . 17849 1 1262 . 1 1 106 106 LYS HD3 H 1 1.730 0.000 . 2 . . . A 106 LYS HD3 . 17849 1 1263 . 1 1 106 106 LYS HE2 H 1 2.861 0.000 . 2 . . . A 106 LYS HE2 . 17849 1 1264 . 1 1 106 106 LYS HE3 H 1 2.914 0.000 . 2 . . . A 106 LYS HE3 . 17849 1 1265 . 1 1 106 106 LYS C C 13 179.102 0.000 . 1 . . . A 106 LYS C . 17849 1 1266 . 1 1 106 106 LYS CA C 13 60.172 0.000 . 1 . . . A 106 LYS CA . 17849 1 1267 . 1 1 106 106 LYS CB C 13 32.610 0.002 . 1 . . . A 106 LYS CB . 17849 1 1268 . 1 1 106 106 LYS CG C 13 25.696 0.000 . 1 . . . A 106 LYS CG . 17849 1 1269 . 1 1 106 106 LYS CD C 13 29.640 0.000 . 1 . . . A 106 LYS CD . 17849 1 1270 . 1 1 106 106 LYS CE C 13 41.645 0.002 . 1 . . . A 106 LYS CE . 17849 1 1271 . 1 1 106 106 LYS N N 15 115.836 0.000 . 1 . . . A 106 LYS N . 17849 1 1272 . 1 1 107 107 HIS H H 1 8.502 0.000 . 1 . . . A 107 HIS H . 17849 1 1273 . 1 1 107 107 HIS HA H 1 4.254 0.000 . 1 . . . A 107 HIS HA . 17849 1 1274 . 1 1 107 107 HIS HB2 H 1 3.313 0.000 . 2 . . . A 107 HIS HB2 . 17849 1 1275 . 1 1 107 107 HIS HB3 H 1 3.313 0.000 . 2 . . . A 107 HIS HB3 . 17849 1 1276 . 1 1 107 107 HIS HD2 H 1 6.900 0.001 . 1 . . . A 107 HIS HD2 . 17849 1 1277 . 1 1 107 107 HIS C C 13 178.167 0.000 . 1 . . . A 107 HIS C . 17849 1 1278 . 1 1 107 107 HIS CA C 13 59.928 0.000 . 1 . . . A 107 HIS CA . 17849 1 1279 . 1 1 107 107 HIS CB C 13 30.584 0.033 . 1 . . . A 107 HIS CB . 17849 1 1280 . 1 1 107 107 HIS CD2 C 13 119.464 0.000 . 1 . . . A 107 HIS CD2 . 17849 1 1281 . 1 1 107 107 HIS N N 15 119.620 0.000 . 1 . . . A 107 HIS N . 17849 1 1282 . 1 1 108 108 VAL H H 1 8.348 0.000 . 1 . . . A 108 VAL H . 17849 1 1283 . 1 1 108 108 VAL HA H 1 3.656 0.000 . 1 . . . A 108 VAL HA . 17849 1 1284 . 1 1 108 108 VAL HB H 1 2.369 0.000 . 1 . . . A 108 VAL HB . 17849 1 1285 . 1 1 108 108 VAL HG11 H 1 0.874 0.000 . . . . . A 108 VAL HG11 . 17849 1 1286 . 1 1 108 108 VAL HG12 H 1 0.874 0.000 . . . . . A 108 VAL HG12 . 17849 1 1287 . 1 1 108 108 VAL HG13 H 1 0.874 0.000 . . . . . A 108 VAL HG13 . 17849 1 1288 . 1 1 108 108 VAL HG21 H 1 1.342 0.000 . . . . . A 108 VAL HG21 . 17849 1 1289 . 1 1 108 108 VAL HG22 H 1 1.342 0.000 . . . . . A 108 VAL HG22 . 17849 1 1290 . 1 1 108 108 VAL HG23 H 1 1.342 0.000 . . . . . A 108 VAL HG23 . 17849 1 1291 . 1 1 108 108 VAL C C 13 178.608 0.000 . 1 . . . A 108 VAL C . 17849 1 1292 . 1 1 108 108 VAL CA C 13 66.356 0.000 . 1 . . . A 108 VAL CA . 17849 1 1293 . 1 1 108 108 VAL CB C 13 32.315 0.000 . 1 . . . A 108 VAL CB . 17849 1 1294 . 1 1 108 108 VAL CG1 C 13 22.197 0.000 . 2 . . . A 108 VAL CG1 . 17849 1 1295 . 1 1 108 108 VAL CG2 C 13 23.440 0.000 . 2 . . . A 108 VAL CG2 . 17849 1 1296 . 1 1 108 108 VAL N N 15 118.595 0.000 . 1 . . . A 108 VAL N . 17849 1 1297 . 1 1 109 109 LEU H H 1 8.251 0.000 . 1 . . . A 109 LEU H . 17849 1 1298 . 1 1 109 109 LEU HA H 1 4.144 0.000 . 1 . . . A 109 LEU HA . 17849 1 1299 . 1 1 109 109 LEU HB2 H 1 1.449 0.000 . 2 . . . A 109 LEU HB2 . 17849 1 1300 . 1 1 109 109 LEU HB3 H 1 1.924 0.000 . 2 . . . A 109 LEU HB3 . 17849 1 1301 . 1 1 109 109 LEU HG H 1 1.901 0.000 . 1 . . . A 109 LEU HG . 17849 1 1302 . 1 1 109 109 LEU HD11 H 1 0.657 0.000 . . . . . A 109 LEU HD11 . 17849 1 1303 . 1 1 109 109 LEU HD12 H 1 0.657 0.000 . . . . . A 109 LEU HD12 . 17849 1 1304 . 1 1 109 109 LEU HD13 H 1 0.657 0.000 . . . . . A 109 LEU HD13 . 17849 1 1305 . 1 1 109 109 LEU HD21 H 1 0.663 0.000 . . . . . A 109 LEU HD21 . 17849 1 1306 . 1 1 109 109 LEU HD22 H 1 0.663 0.000 . . . . . A 109 LEU HD22 . 17849 1 1307 . 1 1 109 109 LEU HD23 H 1 0.663 0.000 . . . . . A 109 LEU HD23 . 17849 1 1308 . 1 1 109 109 LEU C C 13 179.267 0.000 . 1 . . . A 109 LEU C . 17849 1 1309 . 1 1 109 109 LEU CA C 13 57.454 0.000 . 1 . . . A 109 LEU CA . 17849 1 1310 . 1 1 109 109 LEU CB C 13 42.103 0.004 . 1 . . . A 109 LEU CB . 17849 1 1311 . 1 1 109 109 LEU CG C 13 27.758 0.000 . 1 . . . A 109 LEU CG . 17849 1 1312 . 1 1 109 109 LEU CD1 C 13 26.627 0.000 . 2 . . . A 109 LEU CD1 . 17849 1 1313 . 1 1 109 109 LEU CD2 C 13 23.032 0.000 . 2 . . . A 109 LEU CD2 . 17849 1 1314 . 1 1 109 109 LEU N N 15 116.755 0.000 . 1 . . . A 109 LEU N . 17849 1 1315 . 1 1 110 110 THR H H 1 8.085 0.000 . 1 . . . A 110 THR H . 17849 1 1316 . 1 1 110 110 THR HA H 1 4.256 0.000 . 1 . . . A 110 THR HA . 17849 1 1317 . 1 1 110 110 THR HB H 1 4.337 0.000 . 1 . . . A 110 THR HB . 17849 1 1318 . 1 1 110 110 THR HG21 H 1 1.285 0.000 . . . . . A 110 THR HG21 . 17849 1 1319 . 1 1 110 110 THR HG22 H 1 1.285 0.000 . . . . . A 110 THR HG22 . 17849 1 1320 . 1 1 110 110 THR HG23 H 1 1.285 0.000 . . . . . A 110 THR HG23 . 17849 1 1321 . 1 1 110 110 THR C C 13 175.897 0.000 . 1 . . . A 110 THR C . 17849 1 1322 . 1 1 110 110 THR CA C 13 64.465 0.000 . 1 . . . A 110 THR CA . 17849 1 1323 . 1 1 110 110 THR CB C 13 69.431 0.000 . 1 . . . A 110 THR CB . 17849 1 1324 . 1 1 110 110 THR CG2 C 13 21.523 0.000 . 1 . . . A 110 THR CG2 . 17849 1 1325 . 1 1 110 110 THR N N 15 111.046 0.000 . 1 . . . A 110 THR N . 17849 1 1326 . 1 1 111 111 SER H H 1 7.681 0.000 . 1 . . . A 111 SER H . 17849 1 1327 . 1 1 111 111 SER HA H 1 4.406 0.000 . 1 . . . A 111 SER HA . 17849 1 1328 . 1 1 111 111 SER HB2 H 1 3.847 0.000 . 2 . . . A 111 SER HB2 . 17849 1 1329 . 1 1 111 111 SER HB3 H 1 3.903 0.000 . 2 . . . A 111 SER HB3 . 17849 1 1330 . 1 1 111 111 SER C C 13 175.051 0.000 . 1 . . . A 111 SER C . 17849 1 1331 . 1 1 111 111 SER CA C 13 59.968 0.000 . 1 . . . A 111 SER CA . 17849 1 1332 . 1 1 111 111 SER CB C 13 63.391 0.001 . 1 . . . A 111 SER CB . 17849 1 1333 . 1 1 111 111 SER N N 15 117.074 0.000 . 1 . . . A 111 SER N . 17849 1 1334 . 1 1 112 112 ILE H H 1 7.444 0.000 . 1 . . . A 112 ILE H . 17849 1 1335 . 1 1 112 112 ILE HA H 1 4.091 0.000 . 1 . . . A 112 ILE HA . 17849 1 1336 . 1 1 112 112 ILE HB H 1 1.931 0.000 . 1 . . . A 112 ILE HB . 17849 1 1337 . 1 1 112 112 ILE HG12 H 1 1.193 0.000 . 2 . . . A 112 ILE HG12 . 17849 1 1338 . 1 1 112 112 ILE HG13 H 1 1.588 0.000 . 2 . . . A 112 ILE HG13 . 17849 1 1339 . 1 1 112 112 ILE HG21 H 1 0.921 0.000 . . . . . A 112 ILE HG21 . 17849 1 1340 . 1 1 112 112 ILE HG22 H 1 0.921 0.000 . . . . . A 112 ILE HG22 . 17849 1 1341 . 1 1 112 112 ILE HG23 H 1 0.921 0.000 . . . . . A 112 ILE HG23 . 17849 1 1342 . 1 1 112 112 ILE HD11 H 1 0.850 0.000 . . . . . A 112 ILE HD11 . 17849 1 1343 . 1 1 112 112 ILE HD12 H 1 0.850 0.000 . . . . . A 112 ILE HD12 . 17849 1 1344 . 1 1 112 112 ILE HD13 H 1 0.850 0.000 . . . . . A 112 ILE HD13 . 17849 1 1345 . 1 1 112 112 ILE C C 13 177.040 0.000 . 1 . . . A 112 ILE C . 17849 1 1346 . 1 1 112 112 ILE CA C 13 62.524 0.000 . 1 . . . A 112 ILE CA . 17849 1 1347 . 1 1 112 112 ILE CB C 13 38.344 0.000 . 1 . . . A 112 ILE CB . 17849 1 1348 . 1 1 112 112 ILE CG1 C 13 27.489 0.001 . 1 . . . A 112 ILE CG1 . 17849 1 1349 . 1 1 112 112 ILE CG2 C 13 17.660 0.000 . 1 . . . A 112 ILE CG2 . 17849 1 1350 . 1 1 112 112 ILE CD1 C 13 13.837 0.000 . 1 . . . A 112 ILE CD1 . 17849 1 1351 . 1 1 112 112 ILE N N 15 119.783 0.000 . 1 . . . A 112 ILE N . 17849 1 1352 . 1 1 113 113 GLY H H 1 8.148 0.000 . 1 . . . A 113 GLY H . 17849 1 1353 . 1 1 113 113 GLY HA2 H 1 3.957 0.000 . 2 . . . A 113 GLY HA2 . 17849 1 1354 . 1 1 113 113 GLY HA3 H 1 3.957 0.000 . 2 . . . A 113 GLY HA3 . 17849 1 1355 . 1 1 113 113 GLY C C 13 174.442 0.000 . 1 . . . A 113 GLY C . 17849 1 1356 . 1 1 113 113 GLY CA C 13 45.643 0.000 . 1 . . . A 113 GLY CA . 17849 1 1357 . 1 1 113 113 GLY N N 15 110.432 0.000 . 1 . . . A 113 GLY N . 17849 1 1358 . 1 1 114 114 GLU H H 1 8.092 0.000 . 1 . . . A 114 GLU H . 17849 1 1359 . 1 1 114 114 GLU HA H 1 4.266 0.000 . 1 . . . A 114 GLU HA . 17849 1 1360 . 1 1 114 114 GLU HB2 H 1 1.967 0.000 . 2 . . . A 114 GLU HB2 . 17849 1 1361 . 1 1 114 114 GLU HB3 H 1 2.052 0.000 . 2 . . . A 114 GLU HB3 . 17849 1 1362 . 1 1 114 114 GLU HG2 H 1 2.231 0.000 . 2 . . . A 114 GLU HG2 . 17849 1 1363 . 1 1 114 114 GLU HG3 H 1 2.296 0.000 . 2 . . . A 114 GLU HG3 . 17849 1 1364 . 1 1 114 114 GLU C C 13 176.556 0.000 . 1 . . . A 114 GLU C . 17849 1 1365 . 1 1 114 114 GLU CA C 13 56.773 0.000 . 1 . . . A 114 GLU CA . 17849 1 1366 . 1 1 114 114 GLU CB C 13 30.290 0.003 . 1 . . . A 114 GLU CB . 17849 1 1367 . 1 1 114 114 GLU CG C 13 36.197 0.000 . 1 . . . A 114 GLU CG . 17849 1 1368 . 1 1 114 114 GLU N N 15 120.374 0.000 . 1 . . . A 114 GLU N . 17849 1 1369 . 1 1 115 115 LYS H H 1 8.221 0.000 . 1 . . . A 115 LYS H . 17849 1 1370 . 1 1 115 115 LYS HA H 1 4.335 0.000 . 1 . . . A 115 LYS HA . 17849 1 1371 . 1 1 115 115 LYS HB2 H 1 1.791 0.000 . 2 . . . A 115 LYS HB2 . 17849 1 1372 . 1 1 115 115 LYS HB3 H 1 1.854 0.000 . 2 . . . A 115 LYS HB3 . 17849 1 1373 . 1 1 115 115 LYS HG2 H 1 1.428 0.000 . 2 . . . A 115 LYS HG2 . 17849 1 1374 . 1 1 115 115 LYS HG3 H 1 1.474 0.000 . 2 . . . A 115 LYS HG3 . 17849 1 1375 . 1 1 115 115 LYS HD2 H 1 1.686 0.000 . 2 . . . A 115 LYS HD2 . 17849 1 1376 . 1 1 115 115 LYS HD3 H 1 1.686 0.000 . 2 . . . A 115 LYS HD3 . 17849 1 1377 . 1 1 115 115 LYS HE2 H 1 3.003 0.000 . 2 . . . A 115 LYS HE2 . 17849 1 1378 . 1 1 115 115 LYS HE3 H 1 3.003 0.000 . 2 . . . A 115 LYS HE3 . 17849 1 1379 . 1 1 115 115 LYS C C 13 176.654 0.000 . 1 . . . A 115 LYS C . 17849 1 1380 . 1 1 115 115 LYS CA C 13 56.299 0.000 . 1 . . . A 115 LYS CA . 17849 1 1381 . 1 1 115 115 LYS CB C 13 32.839 0.000 . 1 . . . A 115 LYS CB . 17849 1 1382 . 1 1 115 115 LYS CG C 13 24.708 0.001 . 1 . . . A 115 LYS CG . 17849 1 1383 . 1 1 115 115 LYS CD C 13 29.036 0.000 . 1 . . . A 115 LYS CD . 17849 1 1384 . 1 1 115 115 LYS CE C 13 42.169 0.000 . 1 . . . A 115 LYS CE . 17849 1 1385 . 1 1 115 115 LYS N N 15 121.383 0.000 . 1 . . . A 115 LYS N . 17849 1 1386 . 1 1 116 116 LEU H H 1 8.265 0.000 . 1 . . . A 116 LEU H . 17849 1 1387 . 1 1 116 116 LEU HA H 1 4.421 0.000 . 1 . . . A 116 LEU HA . 17849 1 1388 . 1 1 116 116 LEU HB2 H 1 1.580 0.000 . 2 . . . A 116 LEU HB2 . 17849 1 1389 . 1 1 116 116 LEU HB3 H 1 1.690 0.000 . 2 . . . A 116 LEU HB3 . 17849 1 1390 . 1 1 116 116 LEU HG H 1 1.663 0.000 . 1 . . . A 116 LEU HG . 17849 1 1391 . 1 1 116 116 LEU HD11 H 1 0.850 0.000 . . . . . A 116 LEU HD11 . 17849 1 1392 . 1 1 116 116 LEU HD12 H 1 0.850 0.000 . . . . . A 116 LEU HD12 . 17849 1 1393 . 1 1 116 116 LEU HD13 H 1 0.850 0.000 . . . . . A 116 LEU HD13 . 17849 1 1394 . 1 1 116 116 LEU HD21 H 1 0.895 0.000 . . . . . A 116 LEU HD21 . 17849 1 1395 . 1 1 116 116 LEU HD22 H 1 0.895 0.000 . . . . . A 116 LEU HD22 . 17849 1 1396 . 1 1 116 116 LEU HD23 H 1 0.895 0.000 . . . . . A 116 LEU HD23 . 17849 1 1397 . 1 1 116 116 LEU C C 13 177.677 0.000 . 1 . . . A 116 LEU C . 17849 1 1398 . 1 1 116 116 LEU CA C 13 55.320 0.000 . 1 . . . A 116 LEU CA . 17849 1 1399 . 1 1 116 116 LEU CB C 13 42.309 0.002 . 1 . . . A 116 LEU CB . 17849 1 1400 . 1 1 116 116 LEU CG C 13 27.018 0.000 . 1 . . . A 116 LEU CG . 17849 1 1401 . 1 1 116 116 LEU CD1 C 13 23.353 0.000 . 2 . . . A 116 LEU CD1 . 17849 1 1402 . 1 1 116 116 LEU CD2 C 13 25.179 0.000 . 2 . . . A 116 LEU CD2 . 17849 1 1403 . 1 1 116 116 LEU N N 15 123.146 0.000 . 1 . . . A 116 LEU N . 17849 1 1404 . 1 1 117 117 THR H H 1 8.182 0.000 . 1 . . . A 117 THR H . 17849 1 1405 . 1 1 117 117 THR HA H 1 4.337 0.000 . 1 . . . A 117 THR HA . 17849 1 1406 . 1 1 117 117 THR HB H 1 4.309 0.000 . 1 . . . A 117 THR HB . 17849 1 1407 . 1 1 117 117 THR HG21 H 1 1.224 0.000 . . . . . A 117 THR HG21 . 17849 1 1408 . 1 1 117 117 THR HG22 H 1 1.224 0.000 . . . . . A 117 THR HG22 . 17849 1 1409 . 1 1 117 117 THR HG23 H 1 1.224 0.000 . . . . . A 117 THR HG23 . 17849 1 1410 . 1 1 117 117 THR C C 13 174.535 0.000 . 1 . . . A 117 THR C . 17849 1 1411 . 1 1 117 117 THR CA C 13 61.824 0.000 . 1 . . . A 117 THR CA . 17849 1 1412 . 1 1 117 117 THR CB C 13 70.096 0.000 . 1 . . . A 117 THR CB . 17849 1 1413 . 1 1 117 117 THR CG2 C 13 21.597 0.000 . 1 . . . A 117 THR CG2 . 17849 1 1414 . 1 1 117 117 THR N N 15 113.859 0.000 . 1 . . . A 117 THR N . 17849 1 1415 . 1 1 118 118 ASP H H 1 8.367 0.000 . 1 . . . A 118 ASP H . 17849 1 1416 . 1 1 118 118 ASP HA H 1 4.533 0.000 . 1 . . . A 118 ASP HA . 17849 1 1417 . 1 1 118 118 ASP HB2 H 1 2.638 0.000 . 2 . . . A 118 ASP HB2 . 17849 1 1418 . 1 1 118 118 ASP HB3 H 1 2.723 0.000 . 2 . . . A 118 ASP HB3 . 17849 1 1419 . 1 1 118 118 ASP C C 13 176.728 0.000 . 1 . . . A 118 ASP C . 17849 1 1420 . 1 1 118 118 ASP CA C 13 55.218 0.000 . 1 . . . A 118 ASP CA . 17849 1 1421 . 1 1 118 118 ASP CB C 13 40.852 0.006 . 1 . . . A 118 ASP CB . 17849 1 1422 . 1 1 118 118 ASP N N 15 122.049 0.000 . 1 . . . A 118 ASP N . 17849 1 1423 . 1 1 119 119 ALA H H 1 8.206 0.000 . 1 . . . A 119 ALA H . 17849 1 1424 . 1 1 119 119 ALA HA H 1 4.219 0.000 . 1 . . . A 119 ALA HA . 17849 1 1425 . 1 1 119 119 ALA HB1 H 1 1.396 0.000 . . . . . A 119 ALA HB1 . 17849 1 1426 . 1 1 119 119 ALA HB2 H 1 1.396 0.000 . . . . . A 119 ALA HB2 . 17849 1 1427 . 1 1 119 119 ALA HB3 H 1 1.396 0.000 . . . . . A 119 ALA HB3 . 17849 1 1428 . 1 1 119 119 ALA C C 13 178.486 0.000 . 1 . . . A 119 ALA C . 17849 1 1429 . 1 1 119 119 ALA CA C 13 53.433 0.000 . 1 . . . A 119 ALA CA . 17849 1 1430 . 1 1 119 119 ALA CB C 13 19.075 0.000 . 1 . . . A 119 ALA CB . 17849 1 1431 . 1 1 119 119 ALA N N 15 123.432 0.000 . 1 . . . A 119 ALA N . 17849 1 1432 . 1 1 120 120 GLU H H 1 8.187 0.000 . 1 . . . A 120 GLU H . 17849 1 1433 . 1 1 120 120 GLU HA H 1 4.182 0.000 . 1 . . . A 120 GLU HA . 17849 1 1434 . 1 1 120 120 GLU HB2 H 1 2.038 0.000 . 2 . . . A 120 GLU HB2 . 17849 1 1435 . 1 1 120 120 GLU HB3 H 1 2.038 0.000 . 2 . . . A 120 GLU HB3 . 17849 1 1436 . 1 1 120 120 GLU HG2 H 1 2.294 0.000 . 2 . . . A 120 GLU HG2 . 17849 1 1437 . 1 1 120 120 GLU HG3 H 1 2.294 0.000 . 2 . . . A 120 GLU HG3 . 17849 1 1438 . 1 1 120 120 GLU C C 13 177.133 0.000 . 1 . . . A 120 GLU C . 17849 1 1439 . 1 1 120 120 GLU CA C 13 57.105 0.000 . 1 . . . A 120 GLU CA . 17849 1 1440 . 1 1 120 120 GLU CB C 13 30.052 0.000 . 1 . . . A 120 GLU CB . 17849 1 1441 . 1 1 120 120 GLU CG C 13 36.518 0.000 . 1 . . . A 120 GLU CG . 17849 1 1442 . 1 1 120 120 GLU N N 15 118.592 0.000 . 1 . . . A 120 GLU N . 17849 1 1443 . 1 1 121 121 LEU H H 1 8.020 0.000 . 1 . . . A 121 LEU H . 17849 1 1444 . 1 1 121 121 LEU HA H 1 4.204 0.000 . 1 . . . A 121 LEU HA . 17849 1 1445 . 1 1 121 121 LEU HB2 H 1 1.510 0.000 . 2 . . . A 121 LEU HB2 . 17849 1 1446 . 1 1 121 121 LEU HB3 H 1 1.647 0.000 . 2 . . . A 121 LEU HB3 . 17849 1 1447 . 1 1 121 121 LEU HG H 1 1.606 0.000 . 1 . . . A 121 LEU HG . 17849 1 1448 . 1 1 121 121 LEU HD11 H 1 0.833 0.000 . . . . . A 121 LEU HD11 . 17849 1 1449 . 1 1 121 121 LEU HD12 H 1 0.833 0.000 . . . . . A 121 LEU HD12 . 17849 1 1450 . 1 1 121 121 LEU HD13 H 1 0.833 0.000 . . . . . A 121 LEU HD13 . 17849 1 1451 . 1 1 121 121 LEU HD21 H 1 0.892 0.000 . . . . . A 121 LEU HD21 . 17849 1 1452 . 1 1 121 121 LEU HD22 H 1 0.892 0.000 . . . . . A 121 LEU HD22 . 17849 1 1453 . 1 1 121 121 LEU HD23 H 1 0.892 0.000 . . . . . A 121 LEU HD23 . 17849 1 1454 . 1 1 121 121 LEU C C 13 177.710 0.000 . 1 . . . A 121 LEU C . 17849 1 1455 . 1 1 121 121 LEU CA C 13 55.752 0.000 . 1 . . . A 121 LEU CA . 17849 1 1456 . 1 1 121 121 LEU CB C 13 42.258 0.002 . 1 . . . A 121 LEU CB . 17849 1 1457 . 1 1 121 121 LEU CG C 13 26.863 0.000 . 1 . . . A 121 LEU CG . 17849 1 1458 . 1 1 121 121 LEU CD1 C 13 23.402 0.000 . 2 . . . A 121 LEU CD1 . 17849 1 1459 . 1 1 121 121 LEU CD2 C 13 25.042 0.000 . 2 . . . A 121 LEU CD2 . 17849 1 1460 . 1 1 121 121 LEU N N 15 121.427 0.000 . 1 . . . A 121 LEU N . 17849 1 1461 . 1 1 122 122 GLU H H 1 8.118 0.000 . 1 . . . A 122 GLU H . 17849 1 1462 . 1 1 122 122 GLU HA H 1 4.127 0.000 . 1 . . . A 122 GLU HA . 17849 1 1463 . 1 1 122 122 GLU HB2 H 1 1.900 0.000 . 2 . . . A 122 GLU HB2 . 17849 1 1464 . 1 1 122 122 GLU HB3 H 1 1.900 0.000 . 2 . . . A 122 GLU HB3 . 17849 1 1465 . 1 1 122 122 GLU HG2 H 1 2.125 0.000 . 2 . . . A 122 GLU HG2 . 17849 1 1466 . 1 1 122 122 GLU HG3 H 1 2.207 0.000 . 2 . . . A 122 GLU HG3 . 17849 1 1467 . 1 1 122 122 GLU C C 13 176.518 0.000 . 1 . . . A 122 GLU C . 17849 1 1468 . 1 1 122 122 GLU CA C 13 57.014 0.009 . 1 . . . A 122 GLU CA . 17849 1 1469 . 1 1 122 122 GLU CB C 13 30.056 0.000 . 1 . . . A 122 GLU CB . 17849 1 1470 . 1 1 122 122 GLU CG C 13 36.109 0.000 . 1 . . . A 122 GLU CG . 17849 1 1471 . 1 1 122 122 GLU N N 15 119.850 0.000 . 1 . . . A 122 GLU N . 17849 1 1472 . 1 1 123 123 HIS H H 1 8.106 0.000 . 1 . . . A 123 HIS H . 17849 1 1473 . 1 1 123 123 HIS CA C 13 56.259 0.000 . 1 . . . A 123 HIS CA . 17849 1 1474 . 1 1 123 123 HIS N N 15 118.817 0.000 . 1 . . . A 123 HIS N . 17849 1 stop_ save_