data_4768 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4768 _Entry.Title ; Structure of parvulin hPar14 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-06-22 _Entry.Accession_date 2000-06-22 _Entry.Last_release_date 2000-12-07 _Entry.Original_release_date 2000-12-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Elena Sekerina . . . 4768 2 Jens Rahfeld . U. . 4768 3 Jonathan Muller . . . 4768 4 Jorg Fanghanel . . . 4768 5 Christine Rascher . . . 4768 6 Gunter Fischer . . . 4768 7 Peter Bayer . . . 4768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 365 4768 '13C chemical shifts' 179 4768 '15N chemical shifts' 92 4768 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 1 . . 2000-12-07 2000-06-22 original author . 4768 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4768 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20425097 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Solution Structure of hPar14 Reveals Similarity to the Peptidyl Prolyl cis/tans Isomerase Domain of the Mitotic Regulator hPin1 but Indicates a Different Functionality of the Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 301 _Citation.Journal_issue 4 _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 1003 _Citation.Page_last 1017 _Citation.Year 2000 _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 Elena Sekerina . . . 4768 1 2 Jens Rahfeld . U. . 4768 1 3 Jonathan Muller . . . 4768 1 4 Jorg Fanghanel . . . 4768 1 5 Christine Rascher . . . 4768 1 6 Gunter Fischer . . . 4768 1 7 Peter Bayer . . . 4768 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID parvulin 4768 1 'cis/trans isomerase' 4768 1 PPIase 4768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hpar14 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hpar14 _Assembly.Entry_ID 4768 _Assembly.ID 1 _Assembly.Name 'human parvulin 14' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 5.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4768 1 stop_ 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 hpar14 1 $hpar14 . . . native . . . . . 4768 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1eq3 . . . . . . 4768 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human parvulin 14' system 4768 1 hpar14 abbreviation 4768 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'peptidyl prolyl cis/trans isomerase' 4768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hpar14 _Entity.Sf_category entity _Entity.Sf_framecode hpar14 _Entity.Entry_ID 4768 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human parvulin 14' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPPKGKSGSGKAGKGGAASG SDSADKKAQGPKGGGNAVKV RHILCEKHGKIMEAMEKLKS GMRFNEVAAQYSEDKARQGG DLGWMTRGSMVGPFQEAAFA LPVSGMDKPVFTDPPVKTKF GYHIIMVEGRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13809.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EQ3 . "Nmr Structure Of Human Parvulin Hpar14" . . . . . 72.52 96 100.00 100.00 5.46e-63 . . . . 4768 1 2 no PDB 1FJD . "Human Parvulin-Like Peptidyl Prolyl CisTRANS ISOMERASE, Hpar14" . . . . . 77.86 104 100.00 100.00 3.84e-68 . . . . 4768 1 3 no PDB 3UI4 . "0.8 A Resolution Crystal Structure Of Human Parvulin 14" . . . . . 74.81 101 98.98 98.98 1.56e-64 . . . . 4768 1 4 no PDB 3UI5 . "Crystal Structure Of Human Parvulin 14" . . . . . 74.81 101 98.98 98.98 1.56e-64 . . . . 4768 1 5 no PDB 3UI6 . "0.89 A Resolution Crystal Structure Of Human Parvulin 14 In Complex With Oxidized Dtt" . . . . . 74.81 101 98.98 98.98 1.56e-64 . . . . 4768 1 6 no DBJ BAA82320 . "parvulin [Homo sapiens]" . . . . . 100.00 131 100.00 100.00 4.68e-88 . . . . 4768 1 7 no DBJ BAB26863 . "unnamed protein product [Mus musculus]" . . . . . 100.00 131 96.95 98.47 1.94e-85 . . . . 4768 1 8 no DBJ BAG54532 . "unnamed protein product [Homo sapiens]" . . . . . 60.31 108 100.00 100.00 4.93e-46 . . . . 4768 1 9 no GB AAD27893 . "peptidyl-prolyl cis-trans isomerase EPVH [Homo sapiens]" . . . . . 100.00 131 100.00 100.00 4.68e-88 . . . . 4768 1 10 no GB AAH05234 . "PIN4 protein, partial [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 3.30e-88 . . . . 4768 1 11 no GB AAH70288 . "PIN4 protein, partial [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 3.30e-88 . . . . 4768 1 12 no GB AAH93700 . "Protein (peptidylprolyl cis/trans isomerase) NIMA-interacting, 4 (parvulin) [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 2.79e-88 . . . . 4768 1 13 no GB AAI04654 . "PIN4 protein, partial [Homo sapiens]" . . . . . 100.00 141 100.00 100.00 2.11e-88 . . . . 4768 1 14 no REF NP_001164218 . "peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 isoform 2 [Homo sapiens]" . . . . . 60.31 133 100.00 100.00 5.11e-46 . . . . 4768 1 15 no REF NP_006214 . "peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 isoform 1 [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 2.88e-88 . . . . 4768 1 16 no REF NP_081457 . "peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 [Mus musculus]" . . . . . 100.00 131 96.95 98.47 1.94e-85 . . . . 4768 1 17 no REF XP_001092957 . "PREDICTED: hypothetical protein LOC699273 isoform 2 [Macaca mulatta]" . . . . . 100.00 164 99.24 100.00 1.41e-87 . . . . 4768 1 18 no REF XP_001119408 . "PREDICTED: peptidyl-prolyl cis-trans isomerase NIMA-interacting 4-like, partial [Macaca mulatta]" . . . . . 100.00 138 96.95 99.24 4.08e-85 . . . . 4768 1 19 no SP Q9CWW6 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4; AltName: Full=Parvulin-14; Short=Par14; AltName: Full=Pep" . . . . . 100.00 131 96.95 98.47 1.94e-85 . . . . 4768 1 20 no SP Q9Y237 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4; AltName: Full=Parvulin-14; Short=Par14; Short=hPar14; Alt" . . . . . 100.00 131 100.00 100.00 4.68e-88 . . . . 4768 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human parvulin 14' common 4768 1 hpar14 abbreviation 4768 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 . MET . 4768 1 2 . PRO . 4768 1 3 . PRO . 4768 1 4 . LYS . 4768 1 5 . GLY . 4768 1 6 . LYS . 4768 1 7 . SER . 4768 1 8 . GLY . 4768 1 9 . SER . 4768 1 10 . GLY . 4768 1 11 . LYS . 4768 1 12 . ALA . 4768 1 13 . GLY . 4768 1 14 . LYS . 4768 1 15 . GLY . 4768 1 16 . GLY . 4768 1 17 . ALA . 4768 1 18 . ALA . 4768 1 19 . SER . 4768 1 20 . GLY . 4768 1 21 . SER . 4768 1 22 . ASP . 4768 1 23 . SER . 4768 1 24 . ALA . 4768 1 25 . ASP . 4768 1 26 . LYS . 4768 1 27 . LYS . 4768 1 28 . ALA . 4768 1 29 . GLN . 4768 1 30 . GLY . 4768 1 31 . PRO . 4768 1 32 . LYS . 4768 1 33 . GLY . 4768 1 34 . GLY . 4768 1 35 . GLY . 4768 1 36 . ASN . 4768 1 37 . ALA . 4768 1 38 . VAL . 4768 1 39 . LYS . 4768 1 40 . VAL . 4768 1 41 . ARG . 4768 1 42 . HIS . 4768 1 43 . ILE . 4768 1 44 . LEU . 4768 1 45 . CYS . 4768 1 46 . GLU . 4768 1 47 . LYS . 4768 1 48 . HIS . 4768 1 49 . GLY . 4768 1 50 . LYS . 4768 1 51 . ILE . 4768 1 52 . MET . 4768 1 53 . GLU . 4768 1 54 . ALA . 4768 1 55 . MET . 4768 1 56 . GLU . 4768 1 57 . LYS . 4768 1 58 . LEU . 4768 1 59 . LYS . 4768 1 60 . SER . 4768 1 61 . GLY . 4768 1 62 . MET . 4768 1 63 . ARG . 4768 1 64 . PHE . 4768 1 65 . ASN . 4768 1 66 . GLU . 4768 1 67 . VAL . 4768 1 68 . ALA . 4768 1 69 . ALA . 4768 1 70 . GLN . 4768 1 71 . TYR . 4768 1 72 . SER . 4768 1 73 . GLU . 4768 1 74 . ASP . 4768 1 75 . LYS . 4768 1 76 . ALA . 4768 1 77 . ARG . 4768 1 78 . GLN . 4768 1 79 . GLY . 4768 1 80 . GLY . 4768 1 81 . ASP . 4768 1 82 . LEU . 4768 1 83 . GLY . 4768 1 84 . TRP . 4768 1 85 . MET . 4768 1 86 . THR . 4768 1 87 . ARG . 4768 1 88 . GLY . 4768 1 89 . SER . 4768 1 90 . MET . 4768 1 91 . VAL . 4768 1 92 . GLY . 4768 1 93 . PRO . 4768 1 94 . PHE . 4768 1 95 . GLN . 4768 1 96 . GLU . 4768 1 97 . ALA . 4768 1 98 . ALA . 4768 1 99 . PHE . 4768 1 100 . ALA . 4768 1 101 . LEU . 4768 1 102 . PRO . 4768 1 103 . VAL . 4768 1 104 . SER . 4768 1 105 . GLY . 4768 1 106 . MET . 4768 1 107 . ASP . 4768 1 108 . LYS . 4768 1 109 . PRO . 4768 1 110 . VAL . 4768 1 111 . PHE . 4768 1 112 . THR . 4768 1 113 . ASP . 4768 1 114 . PRO . 4768 1 115 . PRO . 4768 1 116 . VAL . 4768 1 117 . LYS . 4768 1 118 . THR . 4768 1 119 . LYS . 4768 1 120 . PHE . 4768 1 121 . GLY . 4768 1 122 . TYR . 4768 1 123 . HIS . 4768 1 124 . ILE . 4768 1 125 . ILE . 4768 1 126 . MET . 4768 1 127 . VAL . 4768 1 128 . GLU . 4768 1 129 . GLY . 4768 1 130 . ARG . 4768 1 131 . LYS . 4768 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4768 1 . PRO 2 2 4768 1 . PRO 3 3 4768 1 . LYS 4 4 4768 1 . GLY 5 5 4768 1 . LYS 6 6 4768 1 . SER 7 7 4768 1 . GLY 8 8 4768 1 . SER 9 9 4768 1 . GLY 10 10 4768 1 . LYS 11 11 4768 1 . ALA 12 12 4768 1 . GLY 13 13 4768 1 . LYS 14 14 4768 1 . GLY 15 15 4768 1 . GLY 16 16 4768 1 . ALA 17 17 4768 1 . ALA 18 18 4768 1 . SER 19 19 4768 1 . GLY 20 20 4768 1 . SER 21 21 4768 1 . ASP 22 22 4768 1 . SER 23 23 4768 1 . ALA 24 24 4768 1 . ASP 25 25 4768 1 . LYS 26 26 4768 1 . LYS 27 27 4768 1 . ALA 28 28 4768 1 . GLN 29 29 4768 1 . GLY 30 30 4768 1 . PRO 31 31 4768 1 . LYS 32 32 4768 1 . GLY 33 33 4768 1 . GLY 34 34 4768 1 . GLY 35 35 4768 1 . ASN 36 36 4768 1 . ALA 37 37 4768 1 . VAL 38 38 4768 1 . LYS 39 39 4768 1 . VAL 40 40 4768 1 . ARG 41 41 4768 1 . HIS 42 42 4768 1 . ILE 43 43 4768 1 . LEU 44 44 4768 1 . CYS 45 45 4768 1 . GLU 46 46 4768 1 . LYS 47 47 4768 1 . HIS 48 48 4768 1 . GLY 49 49 4768 1 . LYS 50 50 4768 1 . ILE 51 51 4768 1 . MET 52 52 4768 1 . GLU 53 53 4768 1 . ALA 54 54 4768 1 . MET 55 55 4768 1 . GLU 56 56 4768 1 . LYS 57 57 4768 1 . LEU 58 58 4768 1 . LYS 59 59 4768 1 . SER 60 60 4768 1 . GLY 61 61 4768 1 . MET 62 62 4768 1 . ARG 63 63 4768 1 . PHE 64 64 4768 1 . ASN 65 65 4768 1 . GLU 66 66 4768 1 . VAL 67 67 4768 1 . ALA 68 68 4768 1 . ALA 69 69 4768 1 . GLN 70 70 4768 1 . TYR 71 71 4768 1 . SER 72 72 4768 1 . GLU 73 73 4768 1 . ASP 74 74 4768 1 . LYS 75 75 4768 1 . ALA 76 76 4768 1 . ARG 77 77 4768 1 . GLN 78 78 4768 1 . GLY 79 79 4768 1 . GLY 80 80 4768 1 . ASP 81 81 4768 1 . LEU 82 82 4768 1 . GLY 83 83 4768 1 . TRP 84 84 4768 1 . MET 85 85 4768 1 . THR 86 86 4768 1 . ARG 87 87 4768 1 . GLY 88 88 4768 1 . SER 89 89 4768 1 . MET 90 90 4768 1 . VAL 91 91 4768 1 . GLY 92 92 4768 1 . PRO 93 93 4768 1 . PHE 94 94 4768 1 . GLN 95 95 4768 1 . GLU 96 96 4768 1 . ALA 97 97 4768 1 . ALA 98 98 4768 1 . PHE 99 99 4768 1 . ALA 100 100 4768 1 . LEU 101 101 4768 1 . PRO 102 102 4768 1 . VAL 103 103 4768 1 . SER 104 104 4768 1 . GLY 105 105 4768 1 . MET 106 106 4768 1 . ASP 107 107 4768 1 . LYS 108 108 4768 1 . PRO 109 109 4768 1 . VAL 110 110 4768 1 . PHE 111 111 4768 1 . THR 112 112 4768 1 . ASP 113 113 4768 1 . PRO 114 114 4768 1 . PRO 115 115 4768 1 . VAL 116 116 4768 1 . LYS 117 117 4768 1 . THR 118 118 4768 1 . LYS 119 119 4768 1 . PHE 120 120 4768 1 . GLY 121 121 4768 1 . TYR 122 122 4768 1 . HIS 123 123 4768 1 . ILE 124 124 4768 1 . ILE 125 125 4768 1 . MET 126 126 4768 1 . VAL 127 127 4768 1 . GLU 128 128 4768 1 . GLY 129 129 4768 1 . ARG 130 130 4768 1 . LYS 131 131 4768 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4768 _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 $hpar14 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4768 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 4768 _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 $hpar14 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4768 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'human parvulin 14' . . . 1 $hpar14 . . . 1.0 2.0 mM . . . . 4768 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 4768 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'human parvulin 14' '[U-13C; U-15N]' . . 1 $hpar14 . . . 1.0 2.0 mM . . . . 4768 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-1 _Sample_condition_list.Entry_ID 4768 _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 pH 6.5 0.1 n/a 4768 1 temperature 300 0.3 K 4768 1 stop_ save_ ############################ # Computer software used # ############################ save_NDee _Software.Sf_category software _Software.Sf_framecode NDee _Software.Entry_ID 4768 _Software.ID 1 _Software.Name NDee _Software.Version . _Software.Details 'SpinUp, Dortmund, Germany' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'assignment of 2D spectra' 4768 1 stop_ save_ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 4768 _Software.ID 2 _Software.Name Aurelia _Software.Version . _Software.Details 'Bruker, Rheinstetten, Germany' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'assignment of 3D spectra' 4768 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4768 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 4768 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 4768 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4768 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4768 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4768 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4768 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4768 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample1 . 4768 1 . . 2 $sample2 . 4768 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 35 35 GLY N N 15 108.1 . . . . . . . . . . . 4768 1 2 . 1 1 35 35 GLY H H 1 8.45 . . . . . . . . . . . 4768 1 3 . 1 1 35 35 GLY CA C 13 44.9 . . . . . . . . . . . 4768 1 4 . 1 1 35 35 GLY HA2 H 1 4.18 . . . . . . . . . . . 4768 1 5 . 1 1 35 35 GLY HA3 H 1 3.92 . . . . . . . . . . . 4768 1 6 . 1 1 36 36 ASN N N 15 119.3 . . . . . . . . . . . 4768 1 7 . 1 1 36 36 ASN H H 1 9.67 . . . . . . . . . . . 4768 1 8 . 1 1 36 36 ASN CA C 13 54.4 . . . . . . . . . . . 4768 1 9 . 1 1 36 36 ASN HA H 1 4.97 . . . . . . . . . . . 4768 1 10 . 1 1 36 36 ASN CB C 13 40.8 . . . . . . . . . . . 4768 1 11 . 1 1 36 36 ASN HB2 H 1 2.91 . . . . . . . . . . . 4768 1 12 . 1 1 36 36 ASN HB3 H 1 2.83 . . . . . . . . . . . 4768 1 13 . 1 1 37 37 ALA N N 15 122.5 . . . . . . . . . . . 4768 1 14 . 1 1 37 37 ALA H H 1 8.91 . . . . . . . . . . . 4768 1 15 . 1 1 37 37 ALA CA C 13 51.7 . . . . . . . . . . . 4768 1 16 . 1 1 37 37 ALA HA H 1 5.53 . . . . . . . . . . . 4768 1 17 . 1 1 37 37 ALA CB C 13 22.5 . . . . . . . . . . . 4768 1 18 . 1 1 37 37 ALA HB1 H 1 1.46 . . . . . . . . . . . 4768 1 19 . 1 1 37 37 ALA HB2 H 1 1.46 . . . . . . . . . . . 4768 1 20 . 1 1 37 37 ALA HB3 H 1 1.46 . . . . . . . . . . . 4768 1 21 . 1 1 38 38 VAL N N 15 112.9 . . . . . . . . . . . 4768 1 22 . 1 1 38 38 VAL H H 1 8.76 . . . . . . . . . . . 4768 1 23 . 1 1 38 38 VAL CA C 13 58.3 . . . . . . . . . . . 4768 1 24 . 1 1 38 38 VAL HA H 1 5.09 . . . . . . . . . . . 4768 1 25 . 1 1 38 38 VAL CB C 13 34.9 . . . . . . . . . . . 4768 1 26 . 1 1 38 38 VAL HB H 1 1.71 . . . . . . . . . . . 4768 1 27 . 1 1 39 39 LYS N N 15 128.3 . . . . . . . . . . . 4768 1 28 . 1 1 39 39 LYS H H 1 7.86 . . . . . . . . . . . 4768 1 29 . 1 1 39 39 LYS CA C 13 54.2 . . . . . . . . . . . 4768 1 30 . 1 1 39 39 LYS HA H 1 4.03 . . . . . . . . . . . 4768 1 31 . 1 1 39 39 LYS CB C 13 30.2 . . . . . . . . . . . 4768 1 32 . 1 1 39 39 LYS HB2 H 1 0.75 . . . . . . . . . . . 4768 1 33 . 1 1 39 39 LYS HB3 H 1 0.75 . . . . . . . . . . . 4768 1 34 . 1 1 40 40 VAL N N 15 125.1 . . . . . . . . . . . 4768 1 35 . 1 1 40 40 VAL H H 1 7.82 . . . . . . . . . . . 4768 1 36 . 1 1 40 40 VAL CA C 13 60.6 . . . . . . . . . . . 4768 1 37 . 1 1 40 40 VAL HA H 1 4.72 . . . . . . . . . . . 4768 1 38 . 1 1 40 40 VAL CB C 13 32.4 . . . . . . . . . . . 4768 1 39 . 1 1 40 40 VAL HB H 1 1.82 . . . . . . . . . . . 4768 1 40 . 1 1 41 41 ARG N N 15 122.9 . . . . . . . . . . . 4768 1 41 . 1 1 41 41 ARG H H 1 8.31 . . . . . . . . . . . 4768 1 42 . 1 1 41 41 ARG CA C 13 53.9 . . . . . . . . . . . 4768 1 43 . 1 1 41 41 ARG HA H 1 5.29 . . . . . . . . . . . 4768 1 44 . 1 1 41 41 ARG CB C 13 34.6 . . . . . . . . . . . 4768 1 45 . 1 1 41 41 ARG HB2 H 1 1.45 . . . . . . . . . . . 4768 1 46 . 1 1 41 41 ARG HB3 H 1 1.45 . . . . . . . . . . . 4768 1 47 . 1 1 42 42 HIS N N 15 119.3 . . . . . . . . . . . 4768 1 48 . 1 1 42 42 HIS H H 1 9.69 . . . . . . . . . . . 4768 1 49 . 1 1 42 42 HIS CA C 13 53.0 . . . . . . . . . . . 4768 1 50 . 1 1 42 42 HIS HA H 1 6.52 . . . . . . . . . . . 4768 1 51 . 1 1 42 42 HIS CB C 13 37.8 . . . . . . . . . . . 4768 1 52 . 1 1 42 42 HIS HB2 H 1 3.46 . . . . . . . . . . . 4768 1 53 . 1 1 42 42 HIS HB3 H 1 3.17 . . . . . . . . . . . 4768 1 54 . 1 1 43 43 ILE N N 15 117.1 . . . . . . . . . . . 4768 1 55 . 1 1 43 43 ILE H H 1 8.59 . . . . . . . . . . . 4768 1 56 . 1 1 43 43 ILE CA C 13 60.4 . . . . . . . . . . . 4768 1 57 . 1 1 43 43 ILE HA H 1 3.84 . . . . . . . . . . . 4768 1 58 . 1 1 43 43 ILE CB C 13 41.0 . . . . . . . . . . . 4768 1 59 . 1 1 43 43 ILE HB H 1 1.39 . . . . . . . . . . . 4768 1 60 . 1 1 44 44 LEU N N 15 127.2 . . . . . . . . . . . 4768 1 61 . 1 1 44 44 LEU H H 1 7.83 . . . . . . . . . . . 4768 1 62 . 1 1 44 44 LEU CA C 13 52.2 . . . . . . . . . . . 4768 1 63 . 1 1 44 44 LEU HA H 1 5.17 . . . . . . . . . . . 4768 1 64 . 1 1 44 44 LEU CB C 13 44.6 . . . . . . . . . . . 4768 1 65 . 1 1 44 44 LEU HB2 H 1 0.98 . . . . . . . . . . . 4768 1 66 . 1 1 44 44 LEU HB3 H 1 0.98 . . . . . . . . . . . 4768 1 67 . 1 1 45 45 CYS N N 15 121.9 . . . . . . . . . . . 4768 1 68 . 1 1 45 45 CYS H H 1 9.10 . . . . . . . . . . . 4768 1 69 . 1 1 45 45 CYS CA C 13 56.8 . . . . . . . . . . . 4768 1 70 . 1 1 45 45 CYS HA H 1 4.84 . . . . . . . . . . . 4768 1 71 . 1 1 45 45 CYS CB C 13 33.1 . . . . . . . . . . . 4768 1 72 . 1 1 45 45 CYS HB2 H 1 3.71 . . . . . . . . . . . 4768 1 73 . 1 1 45 45 CYS HB3 H 1 3.37 . . . . . . . . . . . 4768 1 74 . 1 1 46 46 GLU N N 15 126.2 . . . . . . . . . . . 4768 1 75 . 1 1 46 46 GLU H H 1 9.63 . . . . . . . . . . . 4768 1 76 . 1 1 46 46 GLU CA C 13 60.1 . . . . . . . . . . . 4768 1 77 . 1 1 46 46 GLU HA H 1 4.26 . . . . . . . . . . . 4768 1 78 . 1 1 46 46 GLU CB C 13 30.0 . . . . . . . . . . . 4768 1 79 . 1 1 46 46 GLU HB2 H 1 2.32 . . . . . . . . . . . 4768 1 80 . 1 1 46 46 GLU HB3 H 1 2.32 . . . . . . . . . . . 4768 1 81 . 1 1 47 47 LYS N N 15 115.0 . . . . . . . . . . . 4768 1 82 . 1 1 47 47 LYS H H 1 8.83 . . . . . . . . . . . 4768 1 83 . 1 1 47 47 LYS CA C 13 54.9 . . . . . . . . . . . 4768 1 84 . 1 1 47 47 LYS HA H 1 4.74 . . . . . . . . . . . 4768 1 85 . 1 1 47 47 LYS CB C 13 33.1 . . . . . . . . . . . 4768 1 86 . 1 1 47 47 LYS HB2 H 1 1.97 . . . . . . . . . . . 4768 1 87 . 1 1 47 47 LYS HB3 H 1 1.80 . . . . . . . . . . . 4768 1 88 . 1 1 48 48 HIS N N 15 124.6 . . . . . . . . . . . 4768 1 89 . 1 1 48 48 HIS H H 1 9.22 . . . . . . . . . . . 4768 1 90 . 1 1 48 48 HIS CA C 13 59.2 . . . . . . . . . . . 4768 1 91 . 1 1 48 48 HIS HA H 1 3.27 . . . . . . . . . . . 4768 1 92 . 1 1 48 48 HIS CB C 13 30.0 . . . . . . . . . . . 4768 1 93 . 1 1 48 48 HIS HB2 H 1 2.87 . . . . . . . . . . . 4768 1 94 . 1 1 48 48 HIS HB3 H 1 2.80 . . . . . . . . . . . 4768 1 95 . 1 1 49 49 GLY N N 15 103.9 . . . . . . . . . . . 4768 1 96 . 1 1 49 49 GLY H H 1 8.98 . . . . . . . . . . . 4768 1 97 . 1 1 49 49 GLY CA C 13 47.3 . . . . . . . . . . . 4768 1 98 . 1 1 49 49 GLY HA2 H 1 3.82 . . . . . . . . . . . 4768 1 99 . 1 1 49 49 GLY HA3 H 1 3.57 . . . . . . . . . . . 4768 1 100 . 1 1 50 50 LYS N N 15 120.9 . . . . . . . . . . . 4768 1 101 . 1 1 50 50 LYS H H 1 6.73 . . . . . . . . . . . 4768 1 102 . 1 1 50 50 LYS CA C 13 58.7 . . . . . . . . . . . 4768 1 103 . 1 1 50 50 LYS HA H 1 4.26 . . . . . . . . . . . 4768 1 104 . 1 1 50 50 LYS CB C 13 33.0 . . . . . . . . . . . 4768 1 105 . 1 1 50 50 LYS HB2 H 1 2.01 . . . . . . . . . . . 4768 1 106 . 1 1 50 50 LYS HB3 H 1 2.01 . . . . . . . . . . . 4768 1 107 . 1 1 51 51 ILE N N 15 118.2 . . . . . . . . . . . 4768 1 108 . 1 1 51 51 ILE H H 1 7.50 . . . . . . . . . . . 4768 1 109 . 1 1 51 51 ILE CA C 13 59.9 . . . . . . . . . . . 4768 1 110 . 1 1 51 51 ILE HA H 1 4.09 . . . . . . . . . . . 4768 1 111 . 1 1 51 51 ILE CB C 13 37.9 . . . . . . . . . . . 4768 1 112 . 1 1 51 51 ILE HB H 1 1.48 . . . . . . . . . . . 4768 1 113 . 1 1 52 52 MET N N 15 118.7 . . . . . . . . . . . 4768 1 114 . 1 1 52 52 MET H H 1 7.48 . . . . . . . . . . . 4768 1 115 . 1 1 52 52 MET CA C 13 55.5 . . . . . . . . . . . 4768 1 116 . 1 1 52 52 MET HA H 1 4.43 . . . . . . . . . . . 4768 1 117 . 1 1 52 52 MET CB C 13 29.0 . . . . . . . . . . . 4768 1 118 . 1 1 52 52 MET HB2 H 1 2.18 . . . . . . . . . . . 4768 1 119 . 1 1 52 52 MET HB3 H 1 2.18 . . . . . . . . . . . 4768 1 120 . 1 1 53 53 GLU N N 15 124.1 . . . . . . . . . . . 4768 1 121 . 1 1 53 53 GLU H H 1 7.46 . . . . . . . . . . . 4768 1 122 . 1 1 53 53 GLU CA C 13 59.5 . . . . . . . . . . . 4768 1 123 . 1 1 53 53 GLU HA H 1 3.97 . . . . . . . . . . . 4768 1 124 . 1 1 53 53 GLU CB C 13 28.8 . . . . . . . . . . . 4768 1 125 . 1 1 53 53 GLU HB2 H 1 2.22 . . . . . . . . . . . 4768 1 126 . 1 1 53 53 GLU HB3 H 1 2.08 . . . . . . . . . . . 4768 1 127 . 1 1 54 54 ALA N N 15 121.4 . . . . . . . . . . . 4768 1 128 . 1 1 54 54 ALA H H 1 7.50 . . . . . . . . . . . 4768 1 129 . 1 1 54 54 ALA CA C 13 54.6 . . . . . . . . . . . 4768 1 130 . 1 1 54 54 ALA HA H 1 2.77 . . . . . . . . . . . 4768 1 131 . 1 1 54 54 ALA CB C 13 16.4 . . . . . . . . . . . 4768 1 132 . 1 1 54 54 ALA HB1 H 1 0.81 . . . . . . . . . . . 4768 1 133 . 1 1 54 54 ALA HB2 H 1 0.81 . . . . . . . . . . . 4768 1 134 . 1 1 54 54 ALA HB3 H 1 0.81 . . . . . . . . . . . 4768 1 135 . 1 1 55 55 MET N N 15 116.6 . . . . . . . . . . . 4768 1 136 . 1 1 55 55 MET H H 1 8.16 . . . . . . . . . . . 4768 1 137 . 1 1 55 55 MET CA C 13 57.8 . . . . . . . . . . . 4768 1 138 . 1 1 55 55 MET HA H 1 3.82 . . . . . . . . . . . 4768 1 139 . 1 1 55 55 MET CB C 13 31.9 . . . . . . . . . . . 4768 1 140 . 1 1 55 55 MET HB2 H 1 2.60 . . . . . . . . . . . 4768 1 141 . 1 1 55 55 MET HB3 H 1 2.34 . . . . . . . . . . . 4768 1 142 . 1 1 56 56 GLU N N 15 118.7 . . . . . . . . . . . 4768 1 143 . 1 1 56 56 GLU H H 1 7.79 . . . . . . . . . . . 4768 1 144 . 1 1 56 56 GLU CA C 13 59.2 . . . . . . . . . . . 4768 1 145 . 1 1 56 56 GLU HA H 1 3.9 . . . . . . . . . . . 4768 1 146 . 1 1 56 56 GLU CB C 13 28.7 . . . . . . . . . . . 4768 1 147 . 1 1 56 56 GLU HB2 H 1 2.14 . . . . . . . . . . . 4768 1 148 . 1 1 56 56 GLU HB3 H 1 2.14 . . . . . . . . . . . 4768 1 149 . 1 1 57 57 LYS N N 15 118.7 . . . . . . . . . . . 4768 1 150 . 1 1 57 57 LYS H H 1 7.60 . . . . . . . . . . . 4768 1 151 . 1 1 57 57 LYS CA C 13 57.8 . . . . . . . . . . . 4768 1 152 . 1 1 57 57 LYS HA H 1 3.98 . . . . . . . . . . . 4768 1 153 . 1 1 57 57 LYS CB C 13 30.6 . . . . . . . . . . . 4768 1 154 . 1 1 57 57 LYS HB2 H 1 1.96 . . . . . . . . . . . 4768 1 155 . 1 1 57 57 LYS HB3 H 1 1.96 . . . . . . . . . . . 4768 1 156 . 1 1 58 58 LEU N N 15 121.9 . . . . . . . . . . . 4768 1 157 . 1 1 58 58 LEU H H 1 8.02 . . . . . . . . . . . 4768 1 158 . 1 1 58 58 LEU CA C 13 57.7 . . . . . . . . . . . 4768 1 159 . 1 1 58 58 LEU HA H 1 4.08 . . . . . . . . . . . 4768 1 160 . 1 1 58 58 LEU CB C 13 41.6 . . . . . . . . . . . 4768 1 161 . 1 1 58 58 LEU HB2 H 1 1.48 . . . . . . . . . . . 4768 1 162 . 1 1 58 58 LEU HB3 H 1 1.05 . . . . . . . . . . . 4768 1 163 . 1 1 59 59 LYS N N 15 120.3 . . . . . . . . . . . 4768 1 164 . 1 1 59 59 LYS H H 1 8.72 . . . . . . . . . . . 4768 1 165 . 1 1 59 59 LYS CA C 13 59.7 . . . . . . . . . . . 4768 1 166 . 1 1 59 59 LYS HA H 1 4.20 . . . . . . . . . . . 4768 1 167 . 1 1 59 59 LYS CB C 13 31.8 . . . . . . . . . . . 4768 1 168 . 1 1 59 59 LYS HB2 H 1 2.02 . . . . . . . . . . . 4768 1 169 . 1 1 59 59 LYS HB3 H 1 1.88 . . . . . . . . . . . 4768 1 170 . 1 1 60 60 SER N N 15 113.4 . . . . . . . . . . . 4768 1 171 . 1 1 60 60 SER H H 1 7.80 . . . . . . . . . . . 4768 1 172 . 1 1 60 60 SER CA C 13 59.2 . . . . . . . . . . . 4768 1 173 . 1 1 60 60 SER HA H 1 4.55 . . . . . . . . . . . 4768 1 174 . 1 1 60 60 SER CB C 13 63.5 . . . . . . . . . . . 4768 1 175 . 1 1 60 60 SER HB2 H 1 4.11 . . . . . . . . . . . 4768 1 176 . 1 1 60 60 SER HB3 H 1 3.98 . . . . . . . . . . . 4768 1 177 . 1 1 61 61 GLY N N 15 107.6 . . . . . . . . . . . 4768 1 178 . 1 1 61 61 GLY H H 1 7.83 . . . . . . . . . . . 4768 1 179 . 1 1 61 61 GLY CA C 13 44.9 . . . . . . . . . . . 4768 1 180 . 1 1 61 61 GLY HA2 H 1 4.49 . . . . . . . . . . . 4768 1 181 . 1 1 61 61 GLY HA3 H 1 3.76 . . . . . . . . . . . 4768 1 182 . 1 1 62 62 MET N N 15 121.4 . . . . . . . . . . . 4768 1 183 . 1 1 62 62 MET H H 1 7.48 . . . . . . . . . . . 4768 1 184 . 1 1 62 62 MET CA C 13 56.2 . . . . . . . . . . . 4768 1 185 . 1 1 62 62 MET HA H 1 4.26 . . . . . . . . . . . 4768 1 186 . 1 1 62 62 MET CB C 13 32.9 . . . . . . . . . . . 4768 1 187 . 1 1 62 62 MET HB2 H 1 1.63 . . . . . . . . . . . 4768 1 188 . 1 1 62 62 MET HB3 H 1 1.63 . . . . . . . . . . . 4768 1 189 . 1 1 63 63 ARG N N 15 124.1 . . . . . . . . . . . 4768 1 190 . 1 1 63 63 ARG H H 1 8.71 . . . . . . . . . . . 4768 1 191 . 1 1 63 63 ARG CA C 13 56.7 . . . . . . . . . . . 4768 1 192 . 1 1 63 63 ARG HA H 1 4.34 . . . . . . . . . . . 4768 1 193 . 1 1 63 63 ARG CB C 13 31.1 . . . . . . . . . . . 4768 1 194 . 1 1 63 63 ARG HB2 H 1 1.79 . . . . . . . . . . . 4768 1 195 . 1 1 63 63 ARG HB3 H 1 1.79 . . . . . . . . . . . 4768 1 196 . 1 1 64 64 PHE N N 15 123.5 . . . . . . . . . . . 4768 1 197 . 1 1 64 64 PHE H H 1 9.46 . . . . . . . . . . . 4768 1 198 . 1 1 64 64 PHE CA C 13 62.1 . . . . . . . . . . . 4768 1 199 . 1 1 64 64 PHE HA H 1 3.64 . . . . . . . . . . . 4768 1 200 . 1 1 64 64 PHE CB C 13 40.7 . . . . . . . . . . . 4768 1 201 . 1 1 64 64 PHE HB2 H 1 3.05 . . . . . . . . . . . 4768 1 202 . 1 1 64 64 PHE HB3 H 1 3.05 . . . . . . . . . . . 4768 1 203 . 1 1 65 65 ASN N N 15 110.2 . . . . . . . . . . . 4768 1 204 . 1 1 65 65 ASN H H 1 8.70 . . . . . . . . . . . 4768 1 205 . 1 1 65 65 ASN CA C 13 56.3 . . . . . . . . . . . 4768 1 206 . 1 1 65 65 ASN HA H 1 4.48 . . . . . . . . . . . 4768 1 207 . 1 1 65 65 ASN CB C 13 35.8 . . . . . . . . . . . 4768 1 208 . 1 1 65 65 ASN HB2 H 1 2.99 . . . . . . . . . . . 4768 1 209 . 1 1 65 65 ASN HB3 H 1 2.95 . . . . . . . . . . . 4768 1 210 . 1 1 66 66 GLU N N 15 121.9 . . . . . . . . . . . 4768 1 211 . 1 1 66 66 GLU H H 1 7.05 . . . . . . . . . . . 4768 1 212 . 1 1 66 66 GLU CA C 13 58.6 . . . . . . . . . . . 4768 1 213 . 1 1 66 66 GLU HA H 1 4.25 . . . . . . . . . . . 4768 1 214 . 1 1 66 66 GLU CB C 13 28.9 . . . . . . . . . . . 4768 1 215 . 1 1 66 66 GLU HB2 H 1 2.01 . . . . . . . . . . . 4768 1 216 . 1 1 66 66 GLU HB3 H 1 1.91 . . . . . . . . . . . 4768 1 217 . 1 1 67 67 VAL N N 15 119.8 . . . . . . . . . . . 4768 1 218 . 1 1 67 67 VAL H H 1 7.90 . . . . . . . . . . . 4768 1 219 . 1 1 67 67 VAL CA C 13 66.7 . . . . . . . . . . . 4768 1 220 . 1 1 67 67 VAL HA H 1 3.63 . . . . . . . . . . . 4768 1 221 . 1 1 67 67 VAL CB C 13 30.6 . . . . . . . . . . . 4768 1 222 . 1 1 67 67 VAL HB H 1 1.65 . . . . . . . . . . . 4768 1 223 . 1 1 68 68 ALA N N 15 121.4 . . . . . . . . . . . 4768 1 224 . 1 1 68 68 ALA H H 1 8.65 . . . . . . . . . . . 4768 1 225 . 1 1 68 68 ALA CA C 13 55.5 . . . . . . . . . . . 4768 1 226 . 1 1 68 68 ALA HA H 1 3.85 . . . . . . . . . . . 4768 1 227 . 1 1 68 68 ALA CB C 13 17.6 . . . . . . . . . . . 4768 1 228 . 1 1 68 68 ALA HB1 H 1 1.25 . . . . . . . . . . . 4768 1 229 . 1 1 68 68 ALA HB2 H 1 1.25 . . . . . . . . . . . 4768 1 230 . 1 1 68 68 ALA HB3 H 1 1.25 . . . . . . . . . . . 4768 1 231 . 1 1 69 69 ALA N N 15 118.7 . . . . . . . . . . . 4768 1 232 . 1 1 69 69 ALA H H 1 7.95 . . . . . . . . . . . 4768 1 233 . 1 1 69 69 ALA CA C 13 54.7 . . . . . . . . . . . 4768 1 234 . 1 1 69 69 ALA HA H 1 4.33 . . . . . . . . . . . 4768 1 235 . 1 1 69 69 ALA CB C 13 18.1 . . . . . . . . . . . 4768 1 236 . 1 1 69 69 ALA HB1 H 1 1.55 . . . . . . . . . . . 4768 1 237 . 1 1 69 69 ALA HB2 H 1 1.55 . . . . . . . . . . . 4768 1 238 . 1 1 69 69 ALA HB3 H 1 1.55 . . . . . . . . . . . 4768 1 239 . 1 1 70 70 GLN N N 15 114.5 . . . . . . . . . . . 4768 1 240 . 1 1 70 70 GLN H H 1 7.35 . . . . . . . . . . . 4768 1 241 . 1 1 70 70 GLN CA C 13 57.3 . . . . . . . . . . . 4768 1 242 . 1 1 70 70 GLN HA H 1 4.10 . . . . . . . . . . . 4768 1 243 . 1 1 70 70 GLN CB C 13 29.6 . . . . . . . . . . . 4768 1 244 . 1 1 70 70 GLN HB2 H 1 1.97 . . . . . . . . . . . 4768 1 245 . 1 1 70 70 GLN HB3 H 1 1.81 . . . . . . . . . . . 4768 1 246 . 1 1 71 71 TYR N N 15 112.9 . . . . . . . . . . . 4768 1 247 . 1 1 71 71 TYR H H 1 8.38 . . . . . . . . . . . 4768 1 248 . 1 1 71 71 TYR CA C 13 60.2 . . . . . . . . . . . 4768 1 249 . 1 1 71 71 TYR HA H 1 4.29 . . . . . . . . . . . 4768 1 250 . 1 1 71 71 TYR CB C 13 41.5 . . . . . . . . . . . 4768 1 251 . 1 1 71 71 TYR HB2 H 1 2.58 . . . . . . . . . . . 4768 1 252 . 1 1 71 71 TYR HB3 H 1 2.49 . . . . . . . . . . . 4768 1 253 . 1 1 72 72 SER N N 15 109.2 . . . . . . . . . . . 4768 1 254 . 1 1 72 72 SER H H 1 8.81 . . . . . . . . . . . 4768 1 255 . 1 1 72 72 SER CA C 13 58.8 . . . . . . . . . . . 4768 1 256 . 1 1 72 72 SER HA H 1 4.27 . . . . . . . . . . . 4768 1 257 . 1 1 72 72 SER CB C 13 64.3 . . . . . . . . . . . 4768 1 258 . 1 1 72 72 SER HB2 H 1 3.96 . . . . . . . . . . . 4768 1 259 . 1 1 72 72 SER HB3 H 1 3.96 . . . . . . . . . . . 4768 1 260 . 1 1 73 73 GLU N N 15 126.7 . . . . . . . . . . . 4768 1 261 . 1 1 73 73 GLU H H 1 9.81 . . . . . . . . . . . 4768 1 262 . 1 1 73 73 GLU CA C 13 55.7 . . . . . . . . . . . 4768 1 263 . 1 1 73 73 GLU HA H 1 4.36 . . . . . . . . . . . 4768 1 264 . 1 1 73 73 GLU CB C 13 27.6 . . . . . . . . . . . 4768 1 265 . 1 1 73 73 GLU HB2 H 1 2.60 . . . . . . . . . . . 4768 1 266 . 1 1 73 73 GLU HB3 H 1 2.60 . . . . . . . . . . . 4768 1 267 . 1 1 74 74 ASP N N 15 118.7 . . . . . . . . . . . 4768 1 268 . 1 1 74 74 ASP H H 1 7.99 . . . . . . . . . . . 4768 1 269 . 1 1 74 74 ASP CA C 13 54.2 . . . . . . . . . . . 4768 1 270 . 1 1 74 74 ASP HA H 1 4.86 . . . . . . . . . . . 4768 1 271 . 1 1 74 74 ASP CB C 13 40.0 . . . . . . . . . . . 4768 1 272 . 1 1 74 74 ASP HB2 H 1 2.89 . . . . . . . . . . . 4768 1 273 . 1 1 74 74 ASP HB3 H 1 2.83 . . . . . . . . . . . 4768 1 274 . 1 1 75 75 LYS N N 15 121.7 . . . . . . . . . . . 4768 1 275 . 1 1 75 75 LYS H H 1 8.98 . . . . . . . . . . . 4768 1 276 . 1 1 75 75 LYS CA C 13 55.9 . . . . . . . . . . . 4768 1 277 . 1 1 75 75 LYS HA H 1 4.15 . . . . . . . . . . . 4768 1 278 . 1 1 75 75 LYS CB C 13 28.9 . . . . . . . . . . . 4768 1 279 . 1 1 75 75 LYS HB2 H 1 1.99 . . . . . . . . . . . 4768 1 280 . 1 1 75 75 LYS HB3 H 1 1.87 . . . . . . . . . . . 4768 1 281 . 1 1 76 76 ALA N N 15 123.6 . . . . . . . . . . . 4768 1 282 . 1 1 76 76 ALA H H 1 8.58 . . . . . . . . . . . 4768 1 283 . 1 1 76 76 ALA CA C 13 51.9 . . . . . . . . . . . 4768 1 284 . 1 1 76 76 ALA HA H 1 4.38 . . . . . . . . . . . 4768 1 285 . 1 1 76 76 ALA CB C 13 18.1 . . . . . . . . . . . 4768 1 286 . 1 1 76 76 ALA HB1 H 1 1.41 . . . . . . . . . . . 4768 1 287 . 1 1 76 76 ALA HB2 H 1 1.41 . . . . . . . . . . . 4768 1 288 . 1 1 76 76 ALA HB3 H 1 1.41 . . . . . . . . . . . 4768 1 289 . 1 1 77 77 ARG N N 15 120.6 . . . . . . . . . . . 4768 1 290 . 1 1 77 77 ARG H H 1 7.90 . . . . . . . . . . . 4768 1 291 . 1 1 77 77 ARG CA C 13 57.8 . . . . . . . . . . . 4768 1 292 . 1 1 77 77 ARG HA H 1 4.18 . . . . . . . . . . . 4768 1 293 . 1 1 77 77 ARG HB2 H 1 2.10 . . . . . . . . . . . 4768 1 294 . 1 1 77 77 ARG HB3 H 1 2.10 . . . . . . . . . . . 4768 1 295 . 1 1 78 78 GLN N N 15 119.8 . . . . . . . . . . . 4768 1 296 . 1 1 78 78 GLN H H 1 7.86 . . . . . . . . . . . 4768 1 297 . 1 1 78 78 GLN HA H 1 4.59 . . . . . . . . . . . 4768 1 298 . 1 1 78 78 GLN CB C 13 27.7 . . . . . . . . . . . 4768 1 299 . 1 1 78 78 GLN HB2 H 1 2.55 . . . . . . . . . . . 4768 1 300 . 1 1 78 78 GLN HB3 H 1 2.55 . . . . . . . . . . . 4768 1 301 . 1 1 79 79 GLY N N 15 111.8 . . . . . . . . . . . 4768 1 302 . 1 1 79 79 GLY H H 1 8.87 . . . . . . . . . . . 4768 1 303 . 1 1 79 79 GLY CA C 13 47.9 . . . . . . . . . . . 4768 1 304 . 1 1 79 79 GLY HA2 H 1 3.88 . . . . . . . . . . . 4768 1 305 . 1 1 79 79 GLY HA3 H 1 3.88 . . . . . . . . . . . 4768 1 306 . 1 1 80 80 GLY N N 15 105.9 . . . . . . . . . . . 4768 1 307 . 1 1 80 80 GLY H H 1 8.72 . . . . . . . . . . . 4768 1 308 . 1 1 80 80 GLY CA C 13 45.7 . . . . . . . . . . . 4768 1 309 . 1 1 80 80 GLY HA2 H 1 4.03 . . . . . . . . . . . 4768 1 310 . 1 1 80 80 GLY HA3 H 1 3.84 . . . . . . . . . . . 4768 1 311 . 1 1 81 81 ASP N N 15 117.7 . . . . . . . . . . . 4768 1 312 . 1 1 81 81 ASP H H 1 7.10 . . . . . . . . . . . 4768 1 313 . 1 1 81 81 ASP CA C 13 55.8 . . . . . . . . . . . 4768 1 314 . 1 1 81 81 ASP HA H 1 4.43 . . . . . . . . . . . 4768 1 315 . 1 1 81 81 ASP CB C 13 41.3 . . . . . . . . . . . 4768 1 316 . 1 1 81 81 ASP HB2 H 1 2.95 . . . . . . . . . . . 4768 1 317 . 1 1 81 81 ASP HB3 H 1 2.69 . . . . . . . . . . . 4768 1 318 . 1 1 82 82 LEU N N 15 127.2 . . . . . . . . . . . 4768 1 319 . 1 1 82 82 LEU H H 1 8.91 . . . . . . . . . . . 4768 1 320 . 1 1 82 82 LEU CA C 13 54.5 . . . . . . . . . . . 4768 1 321 . 1 1 82 82 LEU HA H 1 4.32 . . . . . . . . . . . 4768 1 322 . 1 1 82 82 LEU CB C 13 42.7 . . . . . . . . . . . 4768 1 323 . 1 1 82 82 LEU HB2 H 1 1.62 . . . . . . . . . . . 4768 1 324 . 1 1 82 82 LEU HB3 H 1 1.62 . . . . . . . . . . . 4768 1 325 . 1 1 83 83 GLY N N 15 109.2 . . . . . . . . . . . 4768 1 326 . 1 1 83 83 GLY H H 1 8.39 . . . . . . . . . . . 4768 1 327 . 1 1 83 83 GLY CA C 13 44.8 . . . . . . . . . . . 4768 1 328 . 1 1 83 83 GLY HA2 H 1 4.08 . . . . . . . . . . . 4768 1 329 . 1 1 83 83 GLY HA3 H 1 3.45 . . . . . . . . . . . 4768 1 330 . 1 1 84 84 TRP N N 15 119.3 . . . . . . . . . . . 4768 1 331 . 1 1 84 84 TRP H H 1 8.33 . . . . . . . . . . . 4768 1 332 . 1 1 84 84 TRP CA C 13 57.3 . . . . . . . . . . . 4768 1 333 . 1 1 84 84 TRP HA H 1 4.71 . . . . . . . . . . . 4768 1 334 . 1 1 84 84 TRP CB C 13 28.7 . . . . . . . . . . . 4768 1 335 . 1 1 84 84 TRP HB2 H 1 3.03 . . . . . . . . . . . 4768 1 336 . 1 1 84 84 TRP HB3 H 1 2.92 . . . . . . . . . . . 4768 1 337 . 1 1 85 85 MET N N 15 125.1 . . . . . . . . . . . 4768 1 338 . 1 1 85 85 MET H H 1 9.83 . . . . . . . . . . . 4768 1 339 . 1 1 85 85 MET CA C 13 54.2 . . . . . . . . . . . 4768 1 340 . 1 1 85 85 MET HA H 1 5.01 . . . . . . . . . . . 4768 1 341 . 1 1 85 85 MET CB C 13 35.6 . . . . . . . . . . . 4768 1 342 . 1 1 85 85 MET HB2 H 1 2.07 . . . . . . . . . . . 4768 1 343 . 1 1 85 85 MET HB3 H 1 2.00 . . . . . . . . . . . 4768 1 344 . 1 1 86 86 THR N N 15 112.9 . . . . . . . . . . . 4768 1 345 . 1 1 86 86 THR H H 1 8.31 . . . . . . . . . . . 4768 1 346 . 1 1 86 86 THR CA C 13 60.4 . . . . . . . . . . . 4768 1 347 . 1 1 86 86 THR HA H 1 5.07 . . . . . . . . . . . 4768 1 348 . 1 1 86 86 THR CB C 13 70.1 . . . . . . . . . . . 4768 1 349 . 1 1 86 86 THR HB H 1 4.48 . . . . . . . . . . . 4768 1 350 . 1 1 87 87 ARG N N 15 123.5 . . . . . . . . . . . 4768 1 351 . 1 1 87 87 ARG H H 1 8.88 . . . . . . . . . . . 4768 1 352 . 1 1 87 87 ARG CA C 13 59.3 . . . . . . . . . . . 4768 1 353 . 1 1 87 87 ARG HA H 1 3.99 . . . . . . . . . . . 4768 1 354 . 1 1 87 87 ARG CB C 13 29.7 . . . . . . . . . . . 4768 1 355 . 1 1 87 87 ARG HB2 H 1 1.73 . . . . . . . . . . . 4768 1 356 . 1 1 87 87 ARG HB3 H 1 1.73 . . . . . . . . . . . 4768 1 357 . 1 1 88 88 GLY N N 15 111.8 . . . . . . . . . . . 4768 1 358 . 1 1 88 88 GLY H H 1 9.47 . . . . . . . . . . . 4768 1 359 . 1 1 88 88 GLY CA C 13 45.3 . . . . . . . . . . . 4768 1 360 . 1 1 88 88 GLY HA2 H 1 4.37 . . . . . . . . . . . 4768 1 361 . 1 1 88 88 GLY HA3 H 1 3.99 . . . . . . . . . . . 4768 1 362 . 1 1 89 89 SER N N 15 114.5 . . . . . . . . . . . 4768 1 363 . 1 1 89 89 SER H H 1 8.14 . . . . . . . . . . . 4768 1 364 . 1 1 89 89 SER CA C 13 59.1 . . . . . . . . . . . 4768 1 365 . 1 1 89 89 SER HA H 1 4.61 . . . . . . . . . . . 4768 1 366 . 1 1 89 89 SER CB C 13 64.1 . . . . . . . . . . . 4768 1 367 . 1 1 89 89 SER HB2 H 1 4.12 . . . . . . . . . . . 4768 1 368 . 1 1 89 89 SER HB3 H 1 3.98 . . . . . . . . . . . 4768 1 369 . 1 1 90 90 MET N N 15 119.8 . . . . . . . . . . . 4768 1 370 . 1 1 90 90 MET H H 1 7.38 . . . . . . . . . . . 4768 1 371 . 1 1 90 90 MET CA C 13 53.7 . . . . . . . . . . . 4768 1 372 . 1 1 90 90 MET HA H 1 4.64 . . . . . . . . . . . 4768 1 373 . 1 1 90 90 MET CB C 13 37.2 . . . . . . . . . . . 4768 1 374 . 1 1 90 90 MET HB2 H 1 2.00 . . . . . . . . . . . 4768 1 375 . 1 1 90 90 MET HB3 H 1 2.00 . . . . . . . . . . . 4768 1 376 . 1 1 91 91 VAL N N 15 116.6 . . . . . . . . . . . 4768 1 377 . 1 1 91 91 VAL H H 1 8.49 . . . . . . . . . . . 4768 1 378 . 1 1 91 91 VAL CA C 13 61.8 . . . . . . . . . . . 4768 1 379 . 1 1 91 91 VAL HA H 1 4.30 . . . . . . . . . . . 4768 1 380 . 1 1 91 91 VAL CB C 13 32.4 . . . . . . . . . . . 4768 1 381 . 1 1 91 91 VAL HB H 1 2.42 . . . . . . . . . . . 4768 1 382 . 1 1 92 92 GLY N N 15 111.3 . . . . . . . . . . . 4768 1 383 . 1 1 92 92 GLY H H 1 8.88 . . . . . . . . . . . 4768 1 384 . 1 1 92 92 GLY CA C 13 48.2 . . . . . . . . . . . 4768 1 385 . 1 1 92 92 GLY HA2 H 1 4.39 . . . . . . . . . . . 4768 1 386 . 1 1 92 92 GLY HA3 H 1 3.96 . . . . . . . . . . . 4768 1 387 . 1 1 93 93 PRO CA C 13 64.3 . . . . . . . . . . . 4768 1 388 . 1 1 93 93 PRO HA H 1 4.39 . . . . . . . . . . . 4768 1 389 . 1 1 93 93 PRO CB C 13 31.2 . . . . . . . . . . . 4768 1 390 . 1 1 93 93 PRO HB2 H 1 1.69 . . . . . . . . . . . 4768 1 391 . 1 1 93 93 PRO HB3 H 1 2.51 . . . . . . . . . . . 4768 1 392 . 1 1 94 94 PHE N N 15 116.6 . . . . . . . . . . . 4768 1 393 . 1 1 94 94 PHE H H 1 7.44 . . . . . . . . . . . 4768 1 394 . 1 1 94 94 PHE CA C 13 60.5 . . . . . . . . . . . 4768 1 395 . 1 1 94 94 PHE HA H 1 3.76 . . . . . . . . . . . 4768 1 396 . 1 1 94 94 PHE CB C 13 39.9 . . . . . . . . . . . 4768 1 397 . 1 1 94 94 PHE HB2 H 1 3.47 . . . . . . . . . . . 4768 1 398 . 1 1 94 94 PHE HB3 H 1 2.47 . . . . . . . . . . . 4768 1 399 . 1 1 95 95 GLN N N 15 118.2 . . . . . . . . . . . 4768 1 400 . 1 1 95 95 GLN H H 1 8.40 . . . . . . . . . . . 4768 1 401 . 1 1 95 95 GLN CA C 13 59.9 . . . . . . . . . . . 4768 1 402 . 1 1 95 95 GLN HA H 1 4.14 . . . . . . . . . . . 4768 1 403 . 1 1 95 95 GLN CB C 13 29.2 . . . . . . . . . . . 4768 1 404 . 1 1 95 95 GLN HB2 H 1 2.42 . . . . . . . . . . . 4768 1 405 . 1 1 95 95 GLN HB3 H 1 2.42 . . . . . . . . . . . 4768 1 406 . 1 1 96 96 GLU N N 15 116.1 . . . . . . . . . . . 4768 1 407 . 1 1 96 96 GLU H H 1 8.45 . . . . . . . . . . . 4768 1 408 . 1 1 96 96 GLU CA C 13 58.8 . . . . . . . . . . . 4768 1 409 . 1 1 96 96 GLU HA H 1 4.08 . . . . . . . . . . . 4768 1 410 . 1 1 96 96 GLU CB C 13 29.1 . . . . . . . . . . . 4768 1 411 . 1 1 96 96 GLU HB2 H 1 2.04 . . . . . . . . . . . 4768 1 412 . 1 1 96 96 GLU HB3 H 1 2.04 . . . . . . . . . . . 4768 1 413 . 1 1 97 97 ALA N N 15 119.3 . . . . . . . . . . . 4768 1 414 . 1 1 97 97 ALA H H 1 7.24 . . . . . . . . . . . 4768 1 415 . 1 1 97 97 ALA CA C 13 54.4 . . . . . . . . . . . 4768 1 416 . 1 1 97 97 ALA HA H 1 4.17 . . . . . . . . . . . 4768 1 417 . 1 1 97 97 ALA CB C 13 19.2 . . . . . . . . . . . 4768 1 418 . 1 1 97 97 ALA HB1 H 1 1.38 . . . . . . . . . . . 4768 1 419 . 1 1 97 97 ALA HB2 H 1 1.38 . . . . . . . . . . . 4768 1 420 . 1 1 97 97 ALA HB3 H 1 1.38 . . . . . . . . . . . 4768 1 421 . 1 1 98 98 ALA N N 15 118.2 . . . . . . . . . . . 4768 1 422 . 1 1 98 98 ALA H H 1 8.49 . . . . . . . . . . . 4768 1 423 . 1 1 98 98 ALA CA C 13 54.9 . . . . . . . . . . . 4768 1 424 . 1 1 98 98 ALA HA H 1 3.67 . . . . . . . . . . . 4768 1 425 . 1 1 98 98 ALA CB C 13 17.7 . . . . . . . . . . . 4768 1 426 . 1 1 98 98 ALA HB1 H 1 1.12 . . . . . . . . . . . 4768 1 427 . 1 1 98 98 ALA HB2 H 1 1.12 . . . . . . . . . . . 4768 1 428 . 1 1 98 98 ALA HB3 H 1 1.12 . . . . . . . . . . . 4768 1 429 . 1 1 99 99 PHE N N 15 110.8 . . . . . . . . . . . 4768 1 430 . 1 1 99 99 PHE H H 1 8.03 . . . . . . . . . . . 4768 1 431 . 1 1 99 99 PHE CA C 13 61.2 . . . . . . . . . . . 4768 1 432 . 1 1 99 99 PHE HA H 1 4.14 . . . . . . . . . . . 4768 1 433 . 1 1 99 99 PHE CB C 13 38.1 . . . . . . . . . . . 4768 1 434 . 1 1 99 99 PHE HB2 H 1 3.31 . . . . . . . . . . . 4768 1 435 . 1 1 99 99 PHE HB3 H 1 2.96 . . . . . . . . . . . 4768 1 436 . 1 1 100 100 ALA N N 15 120.3 . . . . . . . . . . . 4768 1 437 . 1 1 100 100 ALA H H 1 7.29 . . . . . . . . . . . 4768 1 438 . 1 1 100 100 ALA CA C 13 52.2 . . . . . . . . . . . 4768 1 439 . 1 1 100 100 ALA HA H 1 4.53 . . . . . . . . . . . 4768 1 440 . 1 1 100 100 ALA CB C 13 19.9 . . . . . . . . . . . 4768 1 441 . 1 1 100 100 ALA HB1 H 1 1.51 . . . . . . . . . . . 4768 1 442 . 1 1 100 100 ALA HB2 H 1 1.51 . . . . . . . . . . . 4768 1 443 . 1 1 100 100 ALA HB3 H 1 1.51 . . . . . . . . . . . 4768 1 444 . 1 1 101 101 LEU N N 15 120.8 . . . . . . . . . . . 4768 1 445 . 1 1 101 101 LEU H H 1 7.06 . . . . . . . . . . . 4768 1 446 . 1 1 101 101 LEU CA C 13 53.2 . . . . . . . . . . . 4768 1 447 . 1 1 101 101 LEU HA H 1 4.43 . . . . . . . . . . . 4768 1 448 . 1 1 101 101 LEU CB C 13 43.0 . . . . . . . . . . . 4768 1 449 . 1 1 101 101 LEU HB2 H 1 1.66 . . . . . . . . . . . 4768 1 450 . 1 1 101 101 LEU HB3 H 1 1.66 . . . . . . . . . . . 4768 1 451 . 1 1 102 102 PRO CA C 13 61.9 . . . . . . . . . . . 4768 1 452 . 1 1 102 102 PRO HA H 1 4.51 . . . . . . . . . . . 4768 1 453 . 1 1 102 102 PRO CB C 13 32.3 . . . . . . . . . . . 4768 1 454 . 1 1 102 102 PRO HB2 H 1 1.79 . . . . . . . . . . . 4768 1 455 . 1 1 102 102 PRO HB3 H 1 2.25 . . . . . . . . . . . 4768 1 456 . 1 1 103 103 VAL N N 15 120.8 . . . . . . . . . . . 4768 1 457 . 1 1 103 103 VAL H H 1 8.23 . . . . . . . . . . . 4768 1 458 . 1 1 103 103 VAL CA C 13 63.1 . . . . . . . . . . . 4768 1 459 . 1 1 103 103 VAL HA H 1 3.93 . . . . . . . . . . . 4768 1 460 . 1 1 103 103 VAL CB C 13 30.7 . . . . . . . . . . . 4768 1 461 . 1 1 103 103 VAL HB H 1 1.89 . . . . . . . . . . . 4768 1 462 . 1 1 104 104 SER N N 15 122.9 . . . . . . . . . . . 4768 1 463 . 1 1 104 104 SER H H 1 9.56 . . . . . . . . . . . 4768 1 464 . 1 1 104 104 SER CA C 13 57.5 . . . . . . . . . . . 4768 1 465 . 1 1 104 104 SER HA H 1 4.79 . . . . . . . . . . . 4768 1 466 . 1 1 104 104 SER CB C 13 65.6 . . . . . . . . . . . 4768 1 467 . 1 1 104 104 SER HB2 H 1 3.80 . . . . . . . . . . . 4768 1 468 . 1 1 104 104 SER HB3 H 1 3.80 . . . . . . . . . . . 4768 1 469 . 1 1 105 105 GLY N N 15 103.9 . . . . . . . . . . . 4768 1 470 . 1 1 105 105 GLY H H 1 7.99 . . . . . . . . . . . 4768 1 471 . 1 1 105 105 GLY CA C 13 43.6 . . . . . . . . . . . 4768 1 472 . 1 1 105 105 GLY HA2 H 1 4.64 . . . . . . . . . . . 4768 1 473 . 1 1 105 105 GLY HA3 H 1 3.80 . . . . . . . . . . . 4768 1 474 . 1 1 106 106 MET N N 15 116.1 . . . . . . . . . . . 4768 1 475 . 1 1 106 106 MET H H 1 8.85 . . . . . . . . . . . 4768 1 476 . 1 1 106 106 MET CA C 13 58.7 . . . . . . . . . . . 4768 1 477 . 1 1 106 106 MET HA H 1 3.98 . . . . . . . . . . . 4768 1 478 . 1 1 106 106 MET CB C 13 33.3 . . . . . . . . . . . 4768 1 479 . 1 1 106 106 MET HB2 H 1 2.26 . . . . . . . . . . . 4768 1 480 . 1 1 106 106 MET HB3 H 1 2.26 . . . . . . . . . . . 4768 1 481 . 1 1 107 107 ASP N N 15 115.0 . . . . . . . . . . . 4768 1 482 . 1 1 107 107 ASP H H 1 8.77 . . . . . . . . . . . 4768 1 483 . 1 1 107 107 ASP CA C 13 55.5 . . . . . . . . . . . 4768 1 484 . 1 1 107 107 ASP HA H 1 4.51 . . . . . . . . . . . 4768 1 485 . 1 1 107 107 ASP CB C 13 39.7 . . . . . . . . . . . 4768 1 486 . 1 1 107 107 ASP HB2 H 1 2.72 . . . . . . . . . . . 4768 1 487 . 1 1 107 107 ASP HB3 H 1 2.65 . . . . . . . . . . . 4768 1 488 . 1 1 108 108 LYS N N 15 118.7 . . . . . . . . . . . 4768 1 489 . 1 1 108 108 LYS H H 1 7.26 . . . . . . . . . . . 4768 1 490 . 1 1 108 108 LYS CA C 13 53.9 . . . . . . . . . . . 4768 1 491 . 1 1 108 108 LYS HA H 1 4.65 . . . . . . . . . . . 4768 1 492 . 1 1 108 108 LYS CB C 13 32.4 . . . . . . . . . . . 4768 1 493 . 1 1 108 108 LYS HB2 H 1 1.85 . . . . . . . . . . . 4768 1 494 . 1 1 108 108 LYS HB3 H 1 1.65 . . . . . . . . . . . 4768 1 495 . 1 1 109 109 PRO CA C 13 63.7 . . . . . . . . . . . 4768 1 496 . 1 1 109 109 PRO HA H 1 4.66 . . . . . . . . . . . 4768 1 497 . 1 1 109 109 PRO CB C 13 33.8 . . . . . . . . . . . 4768 1 498 . 1 1 109 109 PRO HB2 H 1 1.88 . . . . . . . . . . . 4768 1 499 . 1 1 109 109 PRO HB3 H 1 2.37 . . . . . . . . . . . 4768 1 500 . 1 1 110 110 VAL N N 15 120.3 . . . . . . . . . . . 4768 1 501 . 1 1 110 110 VAL H H 1 8.68 . . . . . . . . . . . 4768 1 502 . 1 1 110 110 VAL CA C 13 62.3 . . . . . . . . . . . 4768 1 503 . 1 1 110 110 VAL HA H 1 4.07 . . . . . . . . . . . 4768 1 504 . 1 1 110 110 VAL CB C 13 31.9 . . . . . . . . . . . 4768 1 505 . 1 1 110 110 VAL HB H 1 1.79 . . . . . . . . . . . 4768 1 506 . 1 1 111 111 PHE N N 15 120.9 . . . . . . . . . . . 4768 1 507 . 1 1 111 111 PHE H H 1 7.25 . . . . . . . . . . . 4768 1 508 . 1 1 111 111 PHE CA C 13 52.9 . . . . . . . . . . . 4768 1 509 . 1 1 111 111 PHE HA H 1 6.14 . . . . . . . . . . . 4768 1 510 . 1 1 111 111 PHE CB C 13 42.9 . . . . . . . . . . . 4768 1 511 . 1 1 111 111 PHE HB2 H 1 3.25 . . . . . . . . . . . 4768 1 512 . 1 1 111 111 PHE HB3 H 1 2.69 . . . . . . . . . . . 4768 1 513 . 1 1 112 112 THR N N 15 109.2 . . . . . . . . . . . 4768 1 514 . 1 1 112 112 THR H H 1 8.35 . . . . . . . . . . . 4768 1 515 . 1 1 112 112 THR CA C 13 59.5 . . . . . . . . . . . 4768 1 516 . 1 1 112 112 THR HA H 1 4.09 . . . . . . . . . . . 4768 1 517 . 1 1 112 112 THR CB C 13 69.9 . . . . . . . . . . . 4768 1 518 . 1 1 112 112 THR HB H 1 4.47 . . . . . . . . . . . 4768 1 519 . 1 1 113 113 ASP N N 15 124.6 . . . . . . . . . . . 4768 1 520 . 1 1 113 113 ASP H H 1 7.84 . . . . . . . . . . . 4768 1 521 . 1 1 113 113 ASP CA C 13 51.4 . . . . . . . . . . . 4768 1 522 . 1 1 113 113 ASP HA H 1 4.66 . . . . . . . . . . . 4768 1 523 . 1 1 113 113 ASP CB C 13 40.7 . . . . . . . . . . . 4768 1 524 . 1 1 113 113 ASP HB2 H 1 2.83 . . . . . . . . . . . 4768 1 525 . 1 1 113 113 ASP HB3 H 1 2.72 . . . . . . . . . . . 4768 1 526 . 1 1 114 114 PRO HA H 1 5.37 . . . . . . . . . . . 4768 1 527 . 1 1 114 114 PRO HB2 H 1 2.62 . . . . . . . . . . . 4768 1 528 . 1 1 114 114 PRO HB3 H 1 2.62 . . . . . . . . . . . 4768 1 529 . 1 1 115 115 PRO CA C 13 62.2 . . . . . . . . . . . 4768 1 530 . 1 1 115 115 PRO HA H 1 4.46 . . . . . . . . . . . 4768 1 531 . 1 1 115 115 PRO CB C 13 32.8 . . . . . . . . . . . 4768 1 532 . 1 1 115 115 PRO HB2 H 1 1.88 . . . . . . . . . . . 4768 1 533 . 1 1 115 115 PRO HB3 H 1 2.19 . . . . . . . . . . . 4768 1 534 . 1 1 116 116 VAL N N 15 122.5 . . . . . . . . . . . 4768 1 535 . 1 1 116 116 VAL H H 1 9.12 . . . . . . . . . . . 4768 1 536 . 1 1 116 116 VAL CA C 13 61.7 . . . . . . . . . . . 4768 1 537 . 1 1 116 116 VAL HA H 1 4.23 . . . . . . . . . . . 4768 1 538 . 1 1 116 116 VAL CB C 13 32.2 . . . . . . . . . . . 4768 1 539 . 1 1 116 116 VAL HB H 1 1.98 . . . . . . . . . . . 4768 1 540 . 1 1 117 117 LYS N N 15 129.4 . . . . . . . . . . . 4768 1 541 . 1 1 117 117 LYS H H 1 8.85 . . . . . . . . . . . 4768 1 542 . 1 1 117 117 LYS CA C 13 55.1 . . . . . . . . . . . 4768 1 543 . 1 1 117 117 LYS HA H 1 5.04 . . . . . . . . . . . 4768 1 544 . 1 1 117 117 LYS CB C 13 34.5 . . . . . . . . . . . 4768 1 545 . 1 1 117 117 LYS HB2 H 1 1.91 . . . . . . . . . . . 4768 1 546 . 1 1 117 117 LYS HB3 H 1 1.62 . . . . . . . . . . . 4768 1 547 . 1 1 118 118 THR N N 15 117.7 . . . . . . . . . . . 4768 1 548 . 1 1 118 118 THR H H 1 9.44 . . . . . . . . . . . 4768 1 549 . 1 1 118 118 THR CA C 13 60.4 . . . . . . . . . . . 4768 1 550 . 1 1 118 118 THR HA H 1 5.08 . . . . . . . . . . . 4768 1 551 . 1 1 118 118 THR CB C 13 69.8 . . . . . . . . . . . 4768 1 552 . 1 1 118 118 THR HB H 1 4.15 . . . . . . . . . . . 4768 1 553 . 1 1 119 119 LYS N N 15 113.9 . . . . . . . . . . . 4768 1 554 . 1 1 119 119 LYS H H 1 7.80 . . . . . . . . . . . 4768 1 555 . 1 1 119 119 LYS CA C 13 57.8 . . . . . . . . . . . 4768 1 556 . 1 1 119 119 LYS HA H 1 4.11 . . . . . . . . . . . 4768 1 557 . 1 1 119 119 LYS CB C 13 30.9 . . . . . . . . . . . 4768 1 558 . 1 1 119 119 LYS HB2 H 1 1.53 . . . . . . . . . . . 4768 1 559 . 1 1 119 119 LYS HB3 H 1 1.68 . . . . . . . . . . . 4768 1 560 . 1 1 120 120 PHE N N 15 117.7 . . . . . . . . . . . 4768 1 561 . 1 1 120 120 PHE H H 1 8.71 . . . . . . . . . . . 4768 1 562 . 1 1 120 120 PHE CA C 13 58.5 . . . . . . . . . . . 4768 1 563 . 1 1 120 120 PHE HA H 1 4.54 . . . . . . . . . . . 4768 1 564 . 1 1 120 120 PHE CB C 13 38.9 . . . . . . . . . . . 4768 1 565 . 1 1 120 120 PHE HB2 H 1 3.27 . . . . . . . . . . . 4768 1 566 . 1 1 120 120 PHE HB3 H 1 2.93 . . . . . . . . . . . 4768 1 567 . 1 1 121 121 GLY N N 15 105.9 . . . . . . . . . . . 4768 1 568 . 1 1 121 121 GLY H H 1 7.45 . . . . . . . . . . . 4768 1 569 . 1 1 121 121 GLY CA C 13 44.7 . . . . . . . . . . . 4768 1 570 . 1 1 121 121 GLY HA2 H 1 4.26 . . . . . . . . . . . 4768 1 571 . 1 1 121 121 GLY HA3 H 1 3.73 . . . . . . . . . . . 4768 1 572 . 1 1 122 122 TYR N N 15 118.7 . . . . . . . . . . . 4768 1 573 . 1 1 122 122 TYR H H 1 8.51 . . . . . . . . . . . 4768 1 574 . 1 1 122 122 TYR CA C 13 57.2 . . . . . . . . . . . 4768 1 575 . 1 1 122 122 TYR HA H 1 5.29 . . . . . . . . . . . 4768 1 576 . 1 1 122 122 TYR CB C 13 41.4 . . . . . . . . . . . 4768 1 577 . 1 1 122 122 TYR HB2 H 1 2.94 . . . . . . . . . . . 4768 1 578 . 1 1 122 122 TYR HB3 H 1 2.71 . . . . . . . . . . . 4768 1 579 . 1 1 123 123 HIS N N 15 117.1 . . . . . . . . . . . 4768 1 580 . 1 1 123 123 HIS H H 1 9.83 . . . . . . . . . . . 4768 1 581 . 1 1 123 123 HIS CA C 13 53.5 . . . . . . . . . . . 4768 1 582 . 1 1 123 123 HIS HA H 1 6.19 . . . . . . . . . . . 4768 1 583 . 1 1 123 123 HIS CB C 13 31.2 . . . . . . . . . . . 4768 1 584 . 1 1 123 123 HIS HB2 H 1 3.12 . . . . . . . . . . . 4768 1 585 . 1 1 123 123 HIS HB3 H 1 3.06 . . . . . . . . . . . 4768 1 586 . 1 1 124 124 ILE N N 15 121.9 . . . . . . . . . . . 4768 1 587 . 1 1 124 124 ILE H H 1 9.15 . . . . . . . . . . . 4768 1 588 . 1 1 124 124 ILE CA C 13 61.5 . . . . . . . . . . . 4768 1 589 . 1 1 124 124 ILE HA H 1 4.41 . . . . . . . . . . . 4768 1 590 . 1 1 124 124 ILE CB C 13 27.4 . . . . . . . . . . . 4768 1 591 . 1 1 124 124 ILE HB H 1 1.54 . . . . . . . . . . . 4768 1 592 . 1 1 125 125 ILE N N 15 127.2 . . . . . . . . . . . 4768 1 593 . 1 1 125 125 ILE H H 1 8.50 . . . . . . . . . . . 4768 1 594 . 1 1 125 125 ILE CA C 13 60.8 . . . . . . . . . . . 4768 1 595 . 1 1 125 125 ILE HA H 1 5.06 . . . . . . . . . . . 4768 1 596 . 1 1 125 125 ILE CB C 13 41.6 . . . . . . . . . . . 4768 1 597 . 1 1 125 125 ILE HB H 1 1.46 . . . . . . . . . . . 4768 1 598 . 1 1 126 126 MET N N 15 120.3 . . . . . . . . . . . 4768 1 599 . 1 1 126 126 MET H H 1 8.70 . . . . . . . . . . . 4768 1 600 . 1 1 126 126 MET CA C 13 55.4 . . . . . . . . . . . 4768 1 601 . 1 1 126 126 MET HA H 1 4.91 . . . . . . . . . . . 4768 1 602 . 1 1 126 126 MET CB C 13 35.6 . . . . . . . . . . . 4768 1 603 . 1 1 126 126 MET HB2 H 1 1.74 . . . . . . . . . . . 4768 1 604 . 1 1 126 126 MET HB3 H 1 1.36 . . . . . . . . . . . 4768 1 605 . 1 1 127 127 VAL N N 15 121.4 . . . . . . . . . . . 4768 1 606 . 1 1 127 127 VAL H H 1 9.33 . . . . . . . . . . . 4768 1 607 . 1 1 127 127 VAL CA C 13 61.4 . . . . . . . . . . . 4768 1 608 . 1 1 127 127 VAL HA H 1 4.72 . . . . . . . . . . . 4768 1 609 . 1 1 127 127 VAL CB C 13 32.3 . . . . . . . . . . . 4768 1 610 . 1 1 127 127 VAL HB H 1 1.77 . . . . . . . . . . . 4768 1 611 . 1 1 128 128 GLU N N 15 121.9 . . . . . . . . . . . 4768 1 612 . 1 1 128 128 GLU H H 1 8.71 . . . . . . . . . . . 4768 1 613 . 1 1 128 128 GLU CA C 13 54.9 . . . . . . . . . . . 4768 1 614 . 1 1 128 128 GLU HA H 1 5.10 . . . . . . . . . . . 4768 1 615 . 1 1 128 128 GLU CB C 13 32.7 . . . . . . . . . . . 4768 1 616 . 1 1 128 128 GLU HB2 H 1 2.02 . . . . . . . . . . . 4768 1 617 . 1 1 128 128 GLU HB3 H 1 1.55 . . . . . . . . . . . 4768 1 618 . 1 1 129 129 GLY N N 15 107.6 . . . . . . . . . . . 4768 1 619 . 1 1 129 129 GLY H H 1 7.42 . . . . . . . . . . . 4768 1 620 . 1 1 129 129 GLY CA C 13 45.8 . . . . . . . . . . . 4768 1 621 . 1 1 129 129 GLY HA2 H 1 4.25 . . . . . . . . . . . 4768 1 622 . 1 1 129 129 GLY HA3 H 1 3.72 . . . . . . . . . . . 4768 1 623 . 1 1 130 130 ARG N N 15 122.4 . . . . . . . . . . . 4768 1 624 . 1 1 130 130 ARG H H 1 8.86 . . . . . . . . . . . 4768 1 625 . 1 1 130 130 ARG CA C 13 56.2 . . . . . . . . . . . 4768 1 626 . 1 1 130 130 ARG HA H 1 5.49 . . . . . . . . . . . 4768 1 627 . 1 1 130 130 ARG CB C 13 34.2 . . . . . . . . . . . 4768 1 628 . 1 1 130 130 ARG HB2 H 1 1.88 . . . . . . . . . . . 4768 1 629 . 1 1 130 130 ARG HB3 H 1 1.88 . . . . . . . . . . . 4768 1 630 . 1 1 131 131 LYS N N 15 129.4 . . . . . . . . . . . 4768 1 631 . 1 1 131 131 LYS H H 1 9.15 . . . . . . . . . . . 4768 1 632 . 1 1 131 131 LYS CA C 13 57.5 . . . . . . . . . . . 4768 1 633 . 1 1 131 131 LYS HA H 1 4.45 . . . . . . . . . . . 4768 1 634 . 1 1 131 131 LYS CB C 13 28.6 . . . . . . . . . . . 4768 1 635 . 1 1 131 131 LYS HB2 H 1 1.70 . . . . . . . . . . . 4768 1 636 . 1 1 131 131 LYS HB3 H 1 1.70 . . . . . . . . . . . 4768 1 stop_ save_