data_4828 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4828 _Entry.Title ; Structural comparison between WT and P25S human cystatin A by NMR spectroscopy. Does this mutation affect the alpha-helix conformation? -- Part II P25S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-13 _Entry.Accession_date 2000-09-14 _Entry.Last_release_date 2002-04-08 _Entry.Original_release_date 2002-04-08 _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 Nobuhisa Shimba . . . 4828 2 Eri Kariya . . . 4828 3 Shin-ichi Tate . . . 4828 4 Hiroyuki Kaji . . . 4828 5 Masatsune Kainosho . . . 4828 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4828 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 275 4828 '15N chemical shifts' 103 4828 '1H chemical shifts' 642 4828 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 . . 2002-04-08 2000-09-13 original author . 4828 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4827 'wild type' 4828 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4828 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural comparison between WT and P25S human cystatin A by NMR spectroscopy. Does this mutation affect the alpha-helix conformation? ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Func. Genomics.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 26 _Citation.Page_last 42 _Citation.Year 2001 _Citation.Details ; The effect of the substitution of Pro25 with Ser, located in the alpha-helical region, on the cystatin A structure has been studied. ; 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 Nobuhisa Shimba . . . 4828 1 2 Eri Kariya . . . 4828 1 3 Shin-ichi Tate . . . 4828 1 4 Hiroyuki Kaji . . . 4828 1 5 Masatsune Kainosho . . . 4828 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha-helix deformation' 4828 1 'cystatin A P25S' 4828 1 'NMR structure' 4828 1 'P25S cystatin A' 4828 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cystatin_A_P25S _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cystatin_A_P25S _Assembly.Entry_ID 4828 _Assembly.ID 1 _Assembly.Name 'cystatin A P25S' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 4828 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 'cystatin A P25S' 1 $cystatin_A_P25S . . . native . . . . . 4828 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cystatin A P25S' abbreviation 4828 1 'cystatin A P25S' system 4828 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cysteine proteinase inhibitor' 4828 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cystatin_A_P25S _Entity.Sf_category entity _Entity.Sf_framecode cystatin_A_P25S _Entity.Entry_ID 4828 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cystain A' _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 ; IPGGLSEAKPATPEIQEIVD KVKSQLEEKTNETYGKLEAV QYKTQVVAGTNYYIKVRAGD NKYLHLKVFKSLPGQNEDLV LTGYQVDKNKDDELTGF ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 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 BMRB 4827 . cystatin_A . . . . . 100.00 97 98.97 98.97 7.61e-61 . . . . 4828 1 2 no PDB 1CYU . "Solution Nmr Structure Of Recombinant Human Cystatin A Under The Condition Of Ph 3.8 And 310k" . . . . . 100.00 98 98.97 98.97 7.19e-61 . . . . 4828 1 3 no PDB 1CYV . "Solution Nmr Structure Of Recombinant Human Cystatin A Under The Condition Of Ph 3.8 And 310k" . . . . . 100.00 98 98.97 98.97 7.19e-61 . . . . 4828 1 4 no PDB 1DVC . "Solution Nmr Structure Of Human Stefin A At Ph 5.5 And 308k, Nmr, Minimized Average Structure" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 5 no PDB 1DVD . "Solution Nmr Structure Of Human Stefin A At Ph 5.5 And 308k, Nmr, 17 Structures" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 6 no PDB 1GD3 . "Refined Solution Structure Of Human Cystatin A" . . . . . 100.00 98 98.97 98.97 7.19e-61 . . . . 4828 1 7 no PDB 1GD4 . "Solution Structure Of P25s Cystatin A" . . . . . 100.00 98 100.00 100.00 5.98e-62 . . . . 4828 1 8 no PDB 1N9J . "Solution Structure Of The 3d Domain Swapped Dimer Of Stefin A" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 9 no PDB 1NB3 . "Crystal Structure Of Stefin A In Complex With Cathepsin H: N-Terminal Residues Of Inhibitors Can Adapt To The Active Sites Of E" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 10 no PDB 1NB5 . "Crystal Structure Of Stefin A In Complex With Cathepsin H" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 11 no PDB 3K9M . "Cathepsin B In Complex With Stefin A" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 12 no PDB 3KFQ . "Unreduced Cathepsin V In Complex With Stefin A" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 13 no PDB 3KSE . "Unreduced Cathepsin L In Complex With Stefin A" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 14 no DBJ BAA00307 . "cystatin A [synthetic construct]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 15 no DBJ BAA13609 . "cystatin A [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 16 no DBJ BAA87858 . "cystatin A [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 17 no DBJ BAF83997 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 18 no EMBL CAA29398 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 19 no EMBL CAG33195 . "CSTA [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 20 no GB AAA72785 . "stefin A [synthetic construct]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 21 no GB AAH10379 . "Cystatin A (stefin A) [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 22 no GB AIC54242 . "CSTA, partial [synthetic construct]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 23 no GB EAW79489 . "cystatin A (stefin A) [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 24 no REF NP_005204 . "cystatin-A [Homo sapiens]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 25 no REF XP_001166441 . "PREDICTED: cystatin-A [Pan troglodytes]" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 26 no REF XP_004036218 . "PREDICTED: cystatin-A [Gorilla gorilla gorilla]" . . . . . 100.00 98 96.91 98.97 1.56e-60 . . . . 4828 1 27 no SP P01040 . "RecName: Full=Cystatin-A; AltName: Full=Cystatin-AS; AltName: Full=Stefin-A; Contains: RecName: Full=Cystatin-A, N-terminally p" . . . . . 100.00 98 97.94 98.97 1.06e-60 . . . . 4828 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cystain A' common 4828 1 'cystatin A P25S' abbreviation 4828 1 'M65L P25S' variant 4828 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 2 ILE . 4828 1 2 3 PRO . 4828 1 3 4 GLY . 4828 1 4 5 GLY . 4828 1 5 6 LEU . 4828 1 6 7 SER . 4828 1 7 8 GLU . 4828 1 8 9 ALA . 4828 1 9 10 LYS . 4828 1 10 11 PRO . 4828 1 11 12 ALA . 4828 1 12 13 THR . 4828 1 13 14 PRO . 4828 1 14 15 GLU . 4828 1 15 16 ILE . 4828 1 16 17 GLN . 4828 1 17 18 GLU . 4828 1 18 19 ILE . 4828 1 19 20 VAL . 4828 1 20 21 ASP . 4828 1 21 22 LYS . 4828 1 22 23 VAL . 4828 1 23 24 LYS . 4828 1 24 25 SER . 4828 1 25 26 GLN . 4828 1 26 27 LEU . 4828 1 27 28 GLU . 4828 1 28 29 GLU . 4828 1 29 30 LYS . 4828 1 30 31 THR . 4828 1 31 32 ASN . 4828 1 32 33 GLU . 4828 1 33 34 THR . 4828 1 34 35 TYR . 4828 1 35 36 GLY . 4828 1 36 37 LYS . 4828 1 37 38 LEU . 4828 1 38 39 GLU . 4828 1 39 40 ALA . 4828 1 40 41 VAL . 4828 1 41 42 GLN . 4828 1 42 43 TYR . 4828 1 43 44 LYS . 4828 1 44 45 THR . 4828 1 45 46 GLN . 4828 1 46 47 VAL . 4828 1 47 48 VAL . 4828 1 48 49 ALA . 4828 1 49 50 GLY . 4828 1 50 51 THR . 4828 1 51 52 ASN . 4828 1 52 53 TYR . 4828 1 53 54 TYR . 4828 1 54 55 ILE . 4828 1 55 56 LYS . 4828 1 56 57 VAL . 4828 1 57 58 ARG . 4828 1 58 59 ALA . 4828 1 59 60 GLY . 4828 1 60 61 ASP . 4828 1 61 62 ASN . 4828 1 62 63 LYS . 4828 1 63 64 TYR . 4828 1 64 65 LEU . 4828 1 65 66 HIS . 4828 1 66 67 LEU . 4828 1 67 68 LYS . 4828 1 68 69 VAL . 4828 1 69 70 PHE . 4828 1 70 71 LYS . 4828 1 71 72 SER . 4828 1 72 73 LEU . 4828 1 73 74 PRO . 4828 1 74 75 GLY . 4828 1 75 76 GLN . 4828 1 76 77 ASN . 4828 1 77 78 GLU . 4828 1 78 79 ASP . 4828 1 79 80 LEU . 4828 1 80 81 VAL . 4828 1 81 82 LEU . 4828 1 82 83 THR . 4828 1 83 84 GLY . 4828 1 84 85 TYR . 4828 1 85 86 GLN . 4828 1 86 87 VAL . 4828 1 87 88 ASP . 4828 1 88 89 LYS . 4828 1 89 90 ASN . 4828 1 90 91 LYS . 4828 1 91 92 ASP . 4828 1 92 93 ASP . 4828 1 93 94 GLU . 4828 1 94 95 LEU . 4828 1 95 96 THR . 4828 1 96 97 GLY . 4828 1 97 98 PHE . 4828 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 . ILE 1 1 4828 1 . PRO 2 2 4828 1 . GLY 3 3 4828 1 . GLY 4 4 4828 1 . LEU 5 5 4828 1 . SER 6 6 4828 1 . GLU 7 7 4828 1 . ALA 8 8 4828 1 . LYS 9 9 4828 1 . PRO 10 10 4828 1 . ALA 11 11 4828 1 . THR 12 12 4828 1 . PRO 13 13 4828 1 . GLU 14 14 4828 1 . ILE 15 15 4828 1 . GLN 16 16 4828 1 . GLU 17 17 4828 1 . ILE 18 18 4828 1 . VAL 19 19 4828 1 . ASP 20 20 4828 1 . LYS 21 21 4828 1 . VAL 22 22 4828 1 . LYS 23 23 4828 1 . SER 24 24 4828 1 . GLN 25 25 4828 1 . LEU 26 26 4828 1 . GLU 27 27 4828 1 . GLU 28 28 4828 1 . LYS 29 29 4828 1 . THR 30 30 4828 1 . ASN 31 31 4828 1 . GLU 32 32 4828 1 . THR 33 33 4828 1 . TYR 34 34 4828 1 . GLY 35 35 4828 1 . LYS 36 36 4828 1 . LEU 37 37 4828 1 . GLU 38 38 4828 1 . ALA 39 39 4828 1 . VAL 40 40 4828 1 . GLN 41 41 4828 1 . TYR 42 42 4828 1 . LYS 43 43 4828 1 . THR 44 44 4828 1 . GLN 45 45 4828 1 . VAL 46 46 4828 1 . VAL 47 47 4828 1 . ALA 48 48 4828 1 . GLY 49 49 4828 1 . THR 50 50 4828 1 . ASN 51 51 4828 1 . TYR 52 52 4828 1 . TYR 53 53 4828 1 . ILE 54 54 4828 1 . LYS 55 55 4828 1 . VAL 56 56 4828 1 . ARG 57 57 4828 1 . ALA 58 58 4828 1 . GLY 59 59 4828 1 . ASP 60 60 4828 1 . ASN 61 61 4828 1 . LYS 62 62 4828 1 . TYR 63 63 4828 1 . LEU 64 64 4828 1 . HIS 65 65 4828 1 . LEU 66 66 4828 1 . LYS 67 67 4828 1 . VAL 68 68 4828 1 . PHE 69 69 4828 1 . LYS 70 70 4828 1 . SER 71 71 4828 1 . LEU 72 72 4828 1 . PRO 73 73 4828 1 . GLY 74 74 4828 1 . GLN 75 75 4828 1 . ASN 76 76 4828 1 . GLU 77 77 4828 1 . ASP 78 78 4828 1 . LEU 79 79 4828 1 . VAL 80 80 4828 1 . LEU 81 81 4828 1 . THR 82 82 4828 1 . GLY 83 83 4828 1 . TYR 84 84 4828 1 . GLN 85 85 4828 1 . VAL 86 86 4828 1 . ASP 87 87 4828 1 . LYS 88 88 4828 1 . ASN 89 89 4828 1 . LYS 90 90 4828 1 . ASP 91 91 4828 1 . ASP 92 92 4828 1 . GLU 93 93 4828 1 . LEU 94 94 4828 1 . THR 95 95 4828 1 . GLY 96 96 4828 1 . PHE 97 97 4828 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 4828 _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 $cystatin_A_P25S . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4828 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 4828 _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 $cystatin_A_P25S . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4828 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4828 _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 'cystain A' '[U-13C; U-15N]' . . 1 $cystatin_A_P25S . . 1.4 . . mM . . . . 4828 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4828 _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 'cystain A' [U-15N] . . 1 $cystatin_A_P25S . . 1.4 . . mM . . . . 4828 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4828 _Sample.ID 3 _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 'cystain A' . . . 1 $cystatin_A_P25S . . 1.4 . . mM . . . . 4828 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4828 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.001 M 4828 1 pH 4.0 0.2 n/a 4828 1 temperature 310 0.5 K 4828 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4828 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4828 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . 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 4828 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4828 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4828 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 4828 1 2 spectrometer_2 Bruker DRX . 800 . . . 4828 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 4828 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 2 '1H-1H HOHAHA' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 3 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 4 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 6 CBCANH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 7 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 9 HCCH-COSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4828 1 stop_ 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 4828 _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 dioxane carbon . . . . ppm 67.8 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4828 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4828 1 N 15 NH4Cl 'amine nitrogen' . . . . ppm 24.93 external direct . external_to_the_sample cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4828 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_P25S _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_P25S _Assigned_chem_shift_list.Entry_ID 4828 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 $sample_1 . 4828 1 . . 2 $sample_2 . 4828 1 . . 3 $sample_3 . 4828 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 PRO C C 13 175.54 . . . . . . . . . . . 4828 1 2 . 1 1 2 2 PRO HA H 1 4.32 . . . . . . . . . . . 4828 1 3 . 1 1 2 2 PRO CA C 13 62.43 . . . . . . . . . . . 4828 1 4 . 1 1 2 2 PRO HB2 H 1 1.82 . . . . . . . . . . . 4828 1 5 . 1 1 2 2 PRO HB3 H 1 2.27 . . . . . . . . . . . 4828 1 6 . 1 1 2 2 PRO CB C 13 30.24 . . . . . . . . . . . 4828 1 7 . 1 1 2 2 PRO HG3 H 1 1.98 . . . . . . . . . . . 4828 1 8 . 1 1 2 2 PRO HG2 H 1 2.05 . . . . . . . . . . . 4828 1 9 . 1 1 2 2 PRO HD3 H 1 3.58 . . . . . . . . . . . 4828 1 10 . 1 1 2 2 PRO HD2 H 1 3.79 . . . . . . . . . . . 4828 1 11 . 1 1 3 3 GLY H H 1 8.53 . . . . . . . . . . . 4828 1 12 . 1 1 3 3 GLY N N 15 111.76 . . . . . . . . . . . 4828 1 13 . 1 1 3 3 GLY C C 13 173.10 . . . . . . . . . . . 4828 1 14 . 1 1 3 3 GLY HA2 H 1 3.95 . . . . . . . . . . . 4828 1 15 . 1 1 3 3 GLY CA C 13 43.76 . . . . . . . . . . . 4828 1 16 . 1 1 4 4 GLY H H 1 8.23 . . . . . . . . . . . 4828 1 17 . 1 1 4 4 GLY N N 15 109.81 . . . . . . . . . . . 4828 1 18 . 1 1 4 4 GLY C C 13 172.20 . . . . . . . . . . . 4828 1 19 . 1 1 4 4 GLY HA2 H 1 3.83 . . . . . . . . . . . 4828 1 20 . 1 1 4 4 GLY HA3 H 1 4.07 . . . . . . . . . . . 4828 1 21 . 1 1 4 4 GLY CA C 13 43.50 . . . . . . . . . . . 4828 1 22 . 1 1 5 5 LEU H H 1 8.15 . . . . . . . . . . . 4828 1 23 . 1 1 5 5 LEU N N 15 124.40 . . . . . . . . . . . 4828 1 24 . 1 1 5 5 LEU C C 13 176.28 . . . . . . . . . . . 4828 1 25 . 1 1 5 5 LEU HA H 1 4.62 . . . . . . . . . . . 4828 1 26 . 1 1 5 5 LEU CA C 13 53.96 . . . . . . . . . . . 4828 1 27 . 1 1 5 5 LEU HB2 H 1 1.43 . . . . . . . . . . . 4828 1 28 . 1 1 5 5 LEU HB3 H 1 1.67 . . . . . . . . . . . 4828 1 29 . 1 1 5 5 LEU CB C 13 41.78 . . . . . . . . . . . 4828 1 30 . 1 1 5 5 LEU HD11 H 1 0.23 . . . . . . . . . . . 4828 1 31 . 1 1 5 5 LEU HD12 H 1 0.23 . . . . . . . . . . . 4828 1 32 . 1 1 5 5 LEU HD13 H 1 0.23 . . . . . . . . . . . 4828 1 33 . 1 1 5 5 LEU HD21 H 1 0.51 . . . . . . . . . . . 4828 1 34 . 1 1 5 5 LEU HD22 H 1 0.51 . . . . . . . . . . . 4828 1 35 . 1 1 5 5 LEU HD23 H 1 0.51 . . . . . . . . . . . 4828 1 36 . 1 1 6 6 SER H H 1 8.78 . . . . . . . . . . . 4828 1 37 . 1 1 6 6 SER N N 15 120.12 . . . . . . . . . . . 4828 1 38 . 1 1 6 6 SER C C 13 172.09 . . . . . . . . . . . 4828 1 39 . 1 1 6 6 SER HA H 1 4.35 . . . . . . . . . . . 4828 1 40 . 1 1 6 6 SER CA C 13 57.13 . . . . . . . . . . . 4828 1 41 . 1 1 6 6 SER HB2 H 1 4.01 . . . . . . . . . . . 4828 1 42 . 1 1 6 6 SER HB3 H 1 4.35 . . . . . . . . . . . 4828 1 43 . 1 1 6 6 SER CB C 13 64.45 . . . . . . . . . . . 4828 1 44 . 1 1 7 7 GLU H H 1 8.64 . . . . . . . . . . . 4828 1 45 . 1 1 7 7 GLU N N 15 118.95 . . . . . . . . . . . 4828 1 46 . 1 1 7 7 GLU C C 13 175.35 . . . . . . . . . . . 4828 1 47 . 1 1 7 7 GLU HA H 1 4.31 . . . . . . . . . . . 4828 1 48 . 1 1 7 7 GLU CA C 13 54.61 . . . . . . . . . . . 4828 1 49 . 1 1 7 7 GLU HB2 H 1 1.96 . . . . . . . . . . . 4828 1 50 . 1 1 7 7 GLU HB3 H 1 2.07 . . . . . . . . . . . 4828 1 51 . 1 1 7 7 GLU CB C 13 28.11 . . . . . . . . . . . 4828 1 52 . 1 1 7 7 GLU HG2 H 1 2.27 . . . . . . . . . . . 4828 1 53 . 1 1 7 7 GLU HG3 H 1 2.27 . . . . . . . . . . . 4828 1 54 . 1 1 8 8 ALA H H 1 8.79 . . . . . . . . . . . 4828 1 55 . 1 1 8 8 ALA N N 15 126.63 . . . . . . . . . . . 4828 1 56 . 1 1 8 8 ALA C C 13 175.68 . . . . . . . . . . . 4828 1 57 . 1 1 8 8 ALA HA H 1 4.25 . . . . . . . . . . . 4828 1 58 . 1 1 8 8 ALA CA C 13 50.66 . . . . . . . . . . . 4828 1 59 . 1 1 8 8 ALA HB1 H 1 1.16 . . . . . . . . . . . 4828 1 60 . 1 1 8 8 ALA HB2 H 1 1.16 . . . . . . . . . . . 4828 1 61 . 1 1 8 8 ALA HB3 H 1 1.16 . . . . . . . . . . . 4828 1 62 . 1 1 8 8 ALA CB C 13 17.05 . . . . . . . . . . . 4828 1 63 . 1 1 9 9 LYS H H 1 8.44 . . . . . . . . . . . 4828 1 64 . 1 1 9 9 LYS N N 15 123.56 . . . . . . . . . . . 4828 1 65 . 1 1 9 9 LYS HA H 1 4.69 . . . . . . . . . . . 4828 1 66 . 1 1 9 9 LYS CA C 13 51.57 . . . . . . . . . . . 4828 1 67 . 1 1 9 9 LYS HB2 H 1 0.87 . . . . . . . . . . . 4828 1 68 . 1 1 9 9 LYS HB3 H 1 1.75 . . . . . . . . . . . 4828 1 69 . 1 1 9 9 LYS CB C 13 33.38 . . . . . . . . . . . 4828 1 70 . 1 1 9 9 LYS HG3 H 1 1.23 . . . . . . . . . . . 4828 1 71 . 1 1 9 9 LYS HG2 H 1 1.27 . . . . . . . . . . . 4828 1 72 . 1 1 9 9 LYS HD3 H 1 1.45 . . . . . . . . . . . 4828 1 73 . 1 1 9 9 LYS HD2 H 1 1.60 . . . . . . . . . . . 4828 1 74 . 1 1 9 9 LYS HE2 H 1 2.89 . . . . . . . . . . . 4828 1 75 . 1 1 9 9 LYS HE3 H 1 2.89 . . . . . . . . . . . 4828 1 76 . 1 1 10 10 PRO C C 13 175.17 . . . . . . . . . . . 4828 1 77 . 1 1 10 10 PRO HA H 1 4.67 . . . . . . . . . . . 4828 1 78 . 1 1 10 10 PRO CA C 13 60.75 . . . . . . . . . . . 4828 1 79 . 1 1 10 10 PRO HB2 H 1 1.99 . . . . . . . . . . . 4828 1 80 . 1 1 10 10 PRO HB3 H 1 2.49 . . . . . . . . . . . 4828 1 81 . 1 1 10 10 PRO CB C 13 30.55 . . . . . . . . . . . 4828 1 82 . 1 1 10 10 PRO HG3 H 1 2.10 . . . . . . . . . . . 4828 1 83 . 1 1 10 10 PRO HG2 H 1 2.16 . . . . . . . . . . . 4828 1 84 . 1 1 10 10 PRO HD3 H 1 3.70 . . . . . . . . . . . 4828 1 85 . 1 1 10 10 PRO HD2 H 1 3.85 . . . . . . . . . . . 4828 1 86 . 1 1 11 11 ALA H H 1 7.30 . . . . . . . . . . . 4828 1 87 . 1 1 11 11 ALA N N 15 122.13 . . . . . . . . . . . 4828 1 88 . 1 1 11 11 ALA C C 13 173.69 . . . . . . . . . . . 4828 1 89 . 1 1 11 11 ALA HA H 1 3.97 . . . . . . . . . . . 4828 1 90 . 1 1 11 11 ALA CA C 13 52.10 . . . . . . . . . . . 4828 1 91 . 1 1 11 11 ALA HB1 H 1 1.11 . . . . . . . . . . . 4828 1 92 . 1 1 11 11 ALA HB2 H 1 1.11 . . . . . . . . . . . 4828 1 93 . 1 1 11 11 ALA HB3 H 1 1.11 . . . . . . . . . . . 4828 1 94 . 1 1 11 11 ALA CB C 13 17.72 . . . . . . . . . . . 4828 1 95 . 1 1 12 12 THR H H 1 6.22 . . . . . . . . . . . 4828 1 96 . 1 1 12 12 THR N N 15 111.56 . . . . . . . . . . . 4828 1 97 . 1 1 12 12 THR HA H 1 4.81 . . . . . . . . . . . 4828 1 98 . 1 1 12 12 THR CA C 13 57.15 . . . . . . . . . . . 4828 1 99 . 1 1 12 12 THR HB H 1 4.74 . . . . . . . . . . . 4828 1 100 . 1 1 12 12 THR CB C 13 67.43 . . . . . . . . . . . 4828 1 101 . 1 1 12 12 THR HG21 H 1 1.39 . . . . . . . . . . . 4828 1 102 . 1 1 12 12 THR HG22 H 1 1.39 . . . . . . . . . . . 4828 1 103 . 1 1 12 12 THR HG23 H 1 1.39 . . . . . . . . . . . 4828 1 104 . 1 1 13 13 PRO C C 13 176.89 . . . . . . . . . . . 4828 1 105 . 1 1 13 13 PRO HA H 1 4.27 . . . . . . . . . . . 4828 1 106 . 1 1 13 13 PRO CA C 13 64.60 . . . . . . . . . . . 4828 1 107 . 1 1 13 13 PRO HB2 H 1 1.89 . . . . . . . . . . . 4828 1 108 . 1 1 13 13 PRO HB3 H 1 2.39 . . . . . . . . . . . 4828 1 109 . 1 1 13 13 PRO CB C 13 30.08 . . . . . . . . . . . 4828 1 110 . 1 1 13 13 PRO HG3 H 1 1.98 . . . . . . . . . . . 4828 1 111 . 1 1 13 13 PRO HG2 H 1 2.20 . . . . . . . . . . . 4828 1 112 . 1 1 13 13 PRO HD3 H 1 3.90 . . . . . . . . . . . 4828 1 113 . 1 1 13 13 PRO HD2 H 1 4.27 . . . . . . . . . . . 4828 1 114 . 1 1 14 14 GLU H H 1 8.30 . . . . . . . . . . . 4828 1 115 . 1 1 14 14 GLU N N 15 118.75 . . . . . . . . . . . 4828 1 116 . 1 1 14 14 GLU C C 13 176.59 . . . . . . . . . . . 4828 1 117 . 1 1 14 14 GLU HA H 1 3.97 . . . . . . . . . . . 4828 1 118 . 1 1 14 14 GLU CA C 13 57.81 . . . . . . . . . . . 4828 1 119 . 1 1 14 14 GLU HB2 H 1 1.75 . . . . . . . . . . . 4828 1 120 . 1 1 14 14 GLU HB3 H 1 1.92 . . . . . . . . . . . 4828 1 121 . 1 1 14 14 GLU CB C 13 27.53 . . . . . . . . . . . 4828 1 122 . 1 1 14 14 GLU HG2 H 1 2.19 . . . . . . . . . . . 4828 1 123 . 1 1 14 14 GLU HG3 H 1 2.09 . . . . . . . . . . . 4828 1 124 . 1 1 15 15 ILE H H 1 7.29 . . . . . . . . . . . 4828 1 125 . 1 1 15 15 ILE N N 15 120.92 . . . . . . . . . . . 4828 1 126 . 1 1 15 15 ILE C C 13 176.37 . . . . . . . . . . . 4828 1 127 . 1 1 15 15 ILE HA H 1 3.49 . . . . . . . . . . . 4828 1 128 . 1 1 15 15 ILE CA C 13 59.05 . . . . . . . . . . . 4828 1 129 . 1 1 15 15 ILE HB H 1 1.86 . . . . . . . . . . . 4828 1 130 . 1 1 15 15 ILE CB C 13 33.76 . . . . . . . . . . . 4828 1 131 . 1 1 16 16 GLN H H 1 7.97 . . . . . . . . . . . 4828 1 132 . 1 1 16 16 GLN N N 15 122.32 . . . . . . . . . . . 4828 1 133 . 1 1 16 16 GLN C C 13 175.28 . . . . . . . . . . . 4828 1 134 . 1 1 16 16 GLN HA H 1 3.61 . . . . . . . . . . . 4828 1 135 . 1 1 16 16 GLN CA C 13 56.92 . . . . . . . . . . . 4828 1 136 . 1 1 16 16 GLN HB2 H 1 2.15 . . . . . . . . . . . 4828 1 137 . 1 1 16 16 GLN CB C 13 26.24 . . . . . . . . . . . 4828 1 138 . 1 1 16 16 GLN NE2 N 15 119.85 . . . . . . . . . . . 4828 1 139 . 1 1 16 16 GLN HE21 H 1 7.61 . . . . . . . . . . . 4828 1 140 . 1 1 16 16 GLN HE22 H 1 8.00 . . . . . . . . . . . 4828 1 141 . 1 1 17 17 GLU H H 1 7.97 . . . . . . . . . . . 4828 1 142 . 1 1 17 17 GLU N N 15 119.48 . . . . . . . . . . . 4828 1 143 . 1 1 17 17 GLU C C 13 176.73 . . . . . . . . . . . 4828 1 144 . 1 1 17 17 GLU HA H 1 4.04 . . . . . . . . . . . 4828 1 145 . 1 1 17 17 GLU CA C 13 57.73 . . . . . . . . . . . 4828 1 146 . 1 1 17 17 GLU HB2 H 1 2.02 . . . . . . . . . . . 4828 1 147 . 1 1 17 17 GLU HB3 H 1 2.07 . . . . . . . . . . . 4828 1 148 . 1 1 17 17 GLU CB C 13 27.18 . . . . . . . . . . . 4828 1 149 . 1 1 17 17 GLU HG3 H 1 2.20 . . . . . . . . . . . 4828 1 150 . 1 1 17 17 GLU HG2 H 1 2.39 . . . . . . . . . . . 4828 1 151 . 1 1 18 18 ILE H H 1 7.00 . . . . . . . . . . . 4828 1 152 . 1 1 18 18 ILE N N 15 120.29 . . . . . . . . . . . 4828 1 153 . 1 1 18 18 ILE C C 13 175.45 . . . . . . . . . . . 4828 1 154 . 1 1 18 18 ILE HA H 1 3.32 . . . . . . . . . . . 4828 1 155 . 1 1 18 18 ILE CA C 13 64.47 . . . . . . . . . . . 4828 1 156 . 1 1 18 18 ILE HB H 1 1.77 . . . . . . . . . . . 4828 1 157 . 1 1 18 18 ILE CB C 13 36.06 . . . . . . . . . . . 4828 1 158 . 1 1 19 19 VAL H H 1 7.31 . . . . . . . . . . . 4828 1 159 . 1 1 19 19 VAL N N 15 119.54 . . . . . . . . . . . 4828 1 160 . 1 1 19 19 VAL C C 13 175.58 . . . . . . . . . . . 4828 1 161 . 1 1 19 19 VAL HA H 1 3.14 . . . . . . . . . . . 4828 1 162 . 1 1 19 19 VAL CA C 13 65.43 . . . . . . . . . . . 4828 1 163 . 1 1 19 19 VAL HB H 1 2.23 . . . . . . . . . . . 4828 1 164 . 1 1 19 19 VAL CB C 13 29.37 . . . . . . . . . . . 4828 1 165 . 1 1 19 19 VAL HG11 H 1 0.70 . . . . . . . . . . . 4828 1 166 . 1 1 19 19 VAL HG12 H 1 0.70 . . . . . . . . . . . 4828 1 167 . 1 1 19 19 VAL HG13 H 1 0.70 . . . . . . . . . . . 4828 1 168 . 1 1 19 19 VAL HG21 H 1 0.85 . . . . . . . . . . . 4828 1 169 . 1 1 19 19 VAL HG22 H 1 0.85 . . . . . . . . . . . 4828 1 170 . 1 1 19 19 VAL HG23 H 1 0.85 . . . . . . . . . . . 4828 1 171 . 1 1 20 20 ASP H H 1 8.56 . . . . . . . . . . . 4828 1 172 . 1 1 20 20 ASP N N 15 120.26 . . . . . . . . . . . 4828 1 173 . 1 1 20 20 ASP C C 13 178.12 . . . . . . . . . . . 4828 1 174 . 1 1 20 20 ASP HA H 1 4.26 . . . . . . . . . . . 4828 1 175 . 1 1 20 20 ASP CA C 13 55.90 . . . . . . . . . . . 4828 1 176 . 1 1 20 20 ASP HB2 H 1 2.65 . . . . . . . . . . . 4828 1 177 . 1 1 20 20 ASP HB3 H 1 2.81 . . . . . . . . . . . 4828 1 178 . 1 1 20 20 ASP CB C 13 38.29 . . . . . . . . . . . 4828 1 179 . 1 1 21 21 LYS H H 1 8.05 . . . . . . . . . . . 4828 1 180 . 1 1 21 21 LYS N N 15 120.67 . . . . . . . . . . . 4828 1 181 . 1 1 21 21 LYS C C 13 177.51 . . . . . . . . . . . 4828 1 182 . 1 1 21 21 LYS HA H 1 4.17 . . . . . . . . . . . 4828 1 183 . 1 1 21 21 LYS CA C 13 57.31 . . . . . . . . . . . 4828 1 184 . 1 1 21 21 LYS HB2 H 1 1.89 . . . . . . . . . . . 4828 1 185 . 1 1 21 21 LYS HB3 H 1 2.01 . . . . . . . . . . . 4828 1 186 . 1 1 21 21 LYS CB C 13 31.63 . . . . . . . . . . . 4828 1 187 . 1 1 21 21 LYS HG3 H 1 1.48 . . . . . . . . . . . 4828 1 188 . 1 1 21 21 LYS HG2 H 1 1.65 . . . . . . . . . . . 4828 1 189 . 1 1 21 21 LYS HD2 H 1 1.60 . . . . . . . . . . . 4828 1 190 . 1 1 21 21 LYS HD3 H 1 1.60 . . . . . . . . . . . 4828 1 191 . 1 1 21 21 LYS HE2 H 1 2.95 . . . . . . . . . . . 4828 1 192 . 1 1 21 21 LYS HE3 H 1 2.95 . . . . . . . . . . . 4828 1 193 . 1 1 22 22 VAL H H 1 7.83 . . . . . . . . . . . 4828 1 194 . 1 1 22 22 VAL N N 15 111.81 . . . . . . . . . . . 4828 1 195 . 1 1 22 22 VAL C C 13 174.99 . . . . . . . . . . . 4828 1 196 . 1 1 22 22 VAL HA H 1 4.63 . . . . . . . . . . . 4828 1 197 . 1 1 22 22 VAL CA C 13 59.88 . . . . . . . . . . . 4828 1 198 . 1 1 22 22 VAL HB H 1 2.46 . . . . . . . . . . . 4828 1 199 . 1 1 22 22 VAL CB C 13 31.57 . . . . . . . . . . . 4828 1 200 . 1 1 22 22 VAL HG11 H 1 0.84 . . . . . . . . . . . 4828 1 201 . 1 1 22 22 VAL HG12 H 1 0.84 . . . . . . . . . . . 4828 1 202 . 1 1 22 22 VAL HG13 H 1 0.84 . . . . . . . . . . . 4828 1 203 . 1 1 22 22 VAL HG21 H 1 0.92 . . . . . . . . . . . 4828 1 204 . 1 1 22 22 VAL HG22 H 1 0.92 . . . . . . . . . . . 4828 1 205 . 1 1 22 22 VAL HG23 H 1 0.92 . . . . . . . . . . . 4828 1 206 . 1 1 23 23 LYS H H 1 7.66 . . . . . . . . . . . 4828 1 207 . 1 1 23 23 LYS N N 15 127.75 . . . . . . . . . . . 4828 1 208 . 1 1 23 23 LYS C C 13 176.04 . . . . . . . . . . . 4828 1 209 . 1 1 23 23 LYS HA H 1 3.64 . . . . . . . . . . . 4828 1 210 . 1 1 23 23 LYS CA C 13 59.89 . . . . . . . . . . . 4828 1 211 . 1 1 23 23 LYS HB2 H 1 1.96 . . . . . . . . . . . 4828 1 212 . 1 1 23 23 LYS CB C 13 30.74 . . . . . . . . . . . 4828 1 213 . 1 1 23 23 LYS HG3 H 1 1.28 . . . . . . . . . . . 4828 1 214 . 1 1 23 23 LYS HG2 H 1 1.39 . . . . . . . . . . . 4828 1 215 . 1 1 23 23 LYS HD2 H 1 1.77 . . . . . . . . . . . 4828 1 216 . 1 1 23 23 LYS HD3 H 1 1.77 . . . . . . . . . . . 4828 1 217 . 1 1 23 23 LYS HE2 H 1 2.99 . . . . . . . . . . . 4828 1 218 . 1 1 23 23 LYS HE3 H 1 2.99 . . . . . . . . . . . 4828 1 219 . 1 1 24 24 SER H H 1 8.80 . . . . . . . . . . . 4828 1 220 . 1 1 24 24 SER N N 15 114.48 . . . . . . . . . . . 4828 1 221 . 1 1 24 24 SER C C 13 175.75 . . . . . . . . . . . 4828 1 222 . 1 1 24 24 SER HA H 1 4.35 . . . . . . . . . . . 4828 1 223 . 1 1 24 24 SER CA C 13 60.37 . . . . . . . . . . . 4828 1 224 . 1 1 24 24 SER HB2 H 1 3.84 . . . . . . . . . . . 4828 1 225 . 1 1 24 24 SER HB3 H 1 3.90 . . . . . . . . . . . 4828 1 226 . 1 1 24 24 SER CB C 13 60.37 . . . . . . . . . . . 4828 1 227 . 1 1 25 25 GLN H H 1 7.49 . . . . . . . . . . . 4828 1 228 . 1 1 25 25 GLN N N 15 123.68 . . . . . . . . . . . 4828 1 229 . 1 1 25 25 GLN C C 13 176.78 . . . . . . . . . . . 4828 1 230 . 1 1 25 25 GLN HA H 1 4.24 . . . . . . . . . . . 4828 1 231 . 1 1 25 25 GLN CA C 13 57.26 . . . . . . . . . . . 4828 1 232 . 1 1 25 25 GLN HB2 H 1 2.26 . . . . . . . . . . . 4828 1 233 . 1 1 25 25 GLN HB3 H 1 2.44 . . . . . . . . . . . 4828 1 234 . 1 1 25 25 GLN CB C 13 28.10 . . . . . . . . . . . 4828 1 235 . 1 1 25 25 GLN HG3 H 1 2.49 . . . . . . . . . . . 4828 1 236 . 1 1 25 25 GLN HG2 H 1 2.65 . . . . . . . . . . . 4828 1 237 . 1 1 25 25 GLN NE2 N 15 113.78 . . . . . . . . . . . 4828 1 238 . 1 1 25 25 GLN HE21 H 1 6.96 . . . . . . . . . . . 4828 1 239 . 1 1 25 25 GLN HE22 H 1 7.87 . . . . . . . . . . . 4828 1 240 . 1 1 26 26 LEU H H 1 7.80 . . . . . . . . . . . 4828 1 241 . 1 1 26 26 LEU N N 15 122.11 . . . . . . . . . . . 4828 1 242 . 1 1 26 26 LEU C C 13 177.72 . . . . . . . . . . . 4828 1 243 . 1 1 26 26 LEU HA H 1 3.69 . . . . . . . . . . . 4828 1 244 . 1 1 26 26 LEU CA C 13 56.30 . . . . . . . . . . . 4828 1 245 . 1 1 26 26 LEU HB2 H 1 1.09 . . . . . . . . . . . 4828 1 246 . 1 1 26 26 LEU HB3 H 1 2.14 . . . . . . . . . . . 4828 1 247 . 1 1 26 26 LEU CB C 13 40.34 . . . . . . . . . . . 4828 1 248 . 1 1 26 26 LEU HG H 1 1.34 . . . . . . . . . . . 4828 1 249 . 1 1 26 26 LEU HD11 H 1 0.24 . . . . . . . . . . . 4828 1 250 . 1 1 26 26 LEU HD12 H 1 0.24 . . . . . . . . . . . 4828 1 251 . 1 1 26 26 LEU HD13 H 1 0.24 . . . . . . . . . . . 4828 1 252 . 1 1 26 26 LEU HD21 H 1 0.35 . . . . . . . . . . . 4828 1 253 . 1 1 26 26 LEU HD22 H 1 0.35 . . . . . . . . . . . 4828 1 254 . 1 1 26 26 LEU HD23 H 1 0.35 . . . . . . . . . . . 4828 1 255 . 1 1 27 27 GLU H H 1 8.50 . . . . . . . . . . . 4828 1 256 . 1 1 27 27 GLU N N 15 121.16 . . . . . . . . . . . 4828 1 257 . 1 1 27 27 GLU C C 13 177.67 . . . . . . . . . . . 4828 1 258 . 1 1 27 27 GLU HA H 1 4.21 . . . . . . . . . . . 4828 1 259 . 1 1 27 27 GLU CA C 13 58.08 . . . . . . . . . . . 4828 1 260 . 1 1 27 27 GLU HB2 H 1 2.06 . . . . . . . . . . . 4828 1 261 . 1 1 27 27 GLU HB3 H 1 2.15 . . . . . . . . . . . 4828 1 262 . 1 1 27 27 GLU CB C 13 27.73 . . . . . . . . . . . 4828 1 263 . 1 1 27 27 GLU HG2 H 1 2.76 . . . . . . . . . . . 4828 1 264 . 1 1 27 27 GLU HG3 H 1 2.76 . . . . . . . . . . . 4828 1 265 . 1 1 28 28 GLU H H 1 7.79 . . . . . . . . . . . 4828 1 266 . 1 1 28 28 GLU N N 15 119.93 . . . . . . . . . . . 4828 1 267 . 1 1 28 28 GLU C C 13 176.91 . . . . . . . . . . . 4828 1 268 . 1 1 28 28 GLU HA H 1 4.10 . . . . . . . . . . . 4828 1 269 . 1 1 28 28 GLU CA C 13 57.19 . . . . . . . . . . . 4828 1 270 . 1 1 28 28 GLU HB2 H 1 2.21 . . . . . . . . . . . 4828 1 271 . 1 1 28 28 GLU CB C 13 27.54 . . . . . . . . . . . 4828 1 272 . 1 1 28 28 GLU HG3 H 1 2.40 . . . . . . . . . . . 4828 1 273 . 1 1 28 28 GLU HG2 H 1 2.54 . . . . . . . . . . . 4828 1 274 . 1 1 29 29 LYS H H 1 7.69 . . . . . . . . . . . 4828 1 275 . 1 1 29 29 LYS N N 15 118.04 . . . . . . . . . . . 4828 1 276 . 1 1 29 29 LYS C C 13 176.88 . . . . . . . . . . . 4828 1 277 . 1 1 29 29 LYS HA H 1 4.22 . . . . . . . . . . . 4828 1 278 . 1 1 29 29 LYS CA C 13 57.19 . . . . . . . . . . . 4828 1 279 . 1 1 29 29 LYS HB2 H 1 1.79 . . . . . . . . . . . 4828 1 280 . 1 1 29 29 LYS HB3 H 1 2.09 . . . . . . . . . . . 4828 1 281 . 1 1 29 29 LYS CB C 13 31.76 . . . . . . . . . . . 4828 1 282 . 1 1 29 29 LYS HG2 H 1 1.72 . . . . . . . . . . . 4828 1 283 . 1 1 29 29 LYS HG3 H 1 1.72 . . . . . . . . . . . 4828 1 284 . 1 1 29 29 LYS HD3 H 1 1.67 . . . . . . . . . . . 4828 1 285 . 1 1 29 29 LYS HD2 H 1 1.87 . . . . . . . . . . . 4828 1 286 . 1 1 29 29 LYS HE3 H 1 3.08 . . . . . . . . . . . 4828 1 287 . 1 1 29 29 LYS HE2 H 1 3.19 . . . . . . . . . . . 4828 1 288 . 1 1 30 30 THR H H 1 8.03 . . . . . . . . . . . 4828 1 289 . 1 1 30 30 THR N N 15 107.58 . . . . . . . . . . . 4828 1 290 . 1 1 30 30 THR C C 13 174.10 . . . . . . . . . . . 4828 1 291 . 1 1 30 30 THR HA H 1 4.27 . . . . . . . . . . . 4828 1 292 . 1 1 30 30 THR CA C 13 60.36 . . . . . . . . . . . 4828 1 293 . 1 1 30 30 THR HB H 1 4.27 . . . . . . . . . . . 4828 1 294 . 1 1 30 30 THR CB C 13 69.51 . . . . . . . . . . . 4828 1 295 . 1 1 30 30 THR HG21 H 1 0.89 . . . . . . . . . . . 4828 1 296 . 1 1 30 30 THR HG22 H 1 0.89 . . . . . . . . . . . 4828 1 297 . 1 1 30 30 THR HG23 H 1 0.89 . . . . . . . . . . . 4828 1 298 . 1 1 31 31 ASN H H 1 8.04 . . . . . . . . . . . 4828 1 299 . 1 1 31 31 ASN N N 15 119.16 . . . . . . . . . . . 4828 1 300 . 1 1 31 31 ASN C C 13 171.88 . . . . . . . . . . . 4828 1 301 . 1 1 31 31 ASN HA H 1 4.31 . . . . . . . . . . . 4828 1 302 . 1 1 31 31 ASN CA C 13 53.17 . . . . . . . . . . . 4828 1 303 . 1 1 31 31 ASN HB2 H 1 2.75 . . . . . . . . . . . 4828 1 304 . 1 1 31 31 ASN HB3 H 1 3.12 . . . . . . . . . . . 4828 1 305 . 1 1 31 31 ASN CB C 13 36.28 . . . . . . . . . . . 4828 1 306 . 1 1 31 31 ASN ND2 N 15 113.25 . . . . . . . . . . . 4828 1 307 . 1 1 31 31 ASN HD21 H 1 6.67 . . . . . . . . . . . 4828 1 308 . 1 1 31 31 ASN HD22 H 1 7.37 . . . . . . . . . . . 4828 1 309 . 1 1 32 32 GLU H H 1 7.54 . . . . . . . . . . . 4828 1 310 . 1 1 32 32 GLU N N 15 118.77 . . . . . . . . . . . 4828 1 311 . 1 1 32 32 GLU C C 13 172.37 . . . . . . . . . . . 4828 1 312 . 1 1 32 32 GLU HA H 1 4.40 . . . . . . . . . . . 4828 1 313 . 1 1 32 32 GLU CA C 13 53.07 . . . . . . . . . . . 4828 1 314 . 1 1 32 32 GLU HB2 H 1 1.47 . . . . . . . . . . . 4828 1 315 . 1 1 32 32 GLU CB C 13 30.49 . . . . . . . . . . . 4828 1 316 . 1 1 32 32 GLU HG2 H 1 1.96 . . . . . . . . . . . 4828 1 317 . 1 1 32 32 GLU HG3 H 1 1.96 . . . . . . . . . . . 4828 1 318 . 1 1 33 33 THR H H 1 7.67 . . . . . . . . . . . 4828 1 319 . 1 1 33 33 THR N N 15 114.01 . . . . . . . . . . . 4828 1 320 . 1 1 33 33 THR C C 13 172.67 . . . . . . . . . . . 4828 1 321 . 1 1 33 33 THR HA H 1 4.19 . . . . . . . . . . . 4828 1 322 . 1 1 33 33 THR CA C 13 59.03 . . . . . . . . . . . 4828 1 323 . 1 1 33 33 THR HB H 1 3.81 . . . . . . . . . . . 4828 1 324 . 1 1 33 33 THR CB C 13 68.79 . . . . . . . . . . . 4828 1 325 . 1 1 33 33 THR HG21 H 1 1.01 . . . . . . . . . . . 4828 1 326 . 1 1 33 33 THR HG22 H 1 1.01 . . . . . . . . . . . 4828 1 327 . 1 1 33 33 THR HG23 H 1 1.01 . . . . . . . . . . . 4828 1 328 . 1 1 34 34 TYR H H 1 8.66 . . . . . . . . . . . 4828 1 329 . 1 1 34 34 TYR N N 15 125.21 . . . . . . . . . . . 4828 1 330 . 1 1 34 34 TYR C C 13 174.62 . . . . . . . . . . . 4828 1 331 . 1 1 34 34 TYR HA H 1 4.56 . . . . . . . . . . . 4828 1 332 . 1 1 34 34 TYR CA C 13 55.67 . . . . . . . . . . . 4828 1 333 . 1 1 34 34 TYR HB2 H 1 2.39 . . . . . . . . . . . 4828 1 334 . 1 1 34 34 TYR HB3 H 1 2.94 . . . . . . . . . . . 4828 1 335 . 1 1 34 34 TYR CB C 13 39.36 . . . . . . . . . . . 4828 1 336 . 1 1 34 34 TYR HD1 H 1 6.94 . . . . . . . . . . . 4828 1 337 . 1 1 34 34 TYR HD2 H 1 6.94 . . . . . . . . . . . 4828 1 338 . 1 1 34 34 TYR HE1 H 1 6.38 . . . . . . . . . . . 4828 1 339 . 1 1 34 34 TYR HE2 H 1 6.38 . . . . . . . . . . . 4828 1 340 . 1 1 35 35 GLY H H 1 8.55 . . . . . . . . . . . 4828 1 341 . 1 1 35 35 GLY N N 15 113.28 . . . . . . . . . . . 4828 1 342 . 1 1 35 35 GLY C C 13 172.16 . . . . . . . . . . . 4828 1 343 . 1 1 35 35 GLY HA2 H 1 3.70 . . . . . . . . . . . 4828 1 344 . 1 1 35 35 GLY HA3 H 1 3.94 . . . . . . . . . . . 4828 1 345 . 1 1 35 35 GLY CA C 13 44.17 . . . . . . . . . . . 4828 1 346 . 1 1 36 36 LYS H H 1 7.94 . . . . . . . . . . . 4828 1 347 . 1 1 36 36 LYS N N 15 122.86 . . . . . . . . . . . 4828 1 348 . 1 1 36 36 LYS C C 13 173.61 . . . . . . . . . . . 4828 1 349 . 1 1 36 36 LYS HA H 1 4.14 . . . . . . . . . . . 4828 1 350 . 1 1 36 36 LYS CA C 13 54.69 . . . . . . . . . . . 4828 1 351 . 1 1 36 36 LYS HB2 H 1 1.65 . . . . . . . . . . . 4828 1 352 . 1 1 36 36 LYS CB C 13 32.26 . . . . . . . . . . . 4828 1 353 . 1 1 36 36 LYS HG2 H 1 1.23 . . . . . . . . . . . 4828 1 354 . 1 1 36 36 LYS HG3 H 1 1.23 . . . . . . . . . . . 4828 1 355 . 1 1 36 36 LYS HE2 H 1 2.93 . . . . . . . . . . . 4828 1 356 . 1 1 36 36 LYS HE3 H 1 2.93 . . . . . . . . . . . 4828 1 357 . 1 1 37 37 LEU H H 1 8.37 . . . . . . . . . . . 4828 1 358 . 1 1 37 37 LEU N N 15 127.39 . . . . . . . . . . . 4828 1 359 . 1 1 37 37 LEU C C 13 173.66 . . . . . . . . . . . 4828 1 360 . 1 1 37 37 LEU HA H 1 4.68 . . . . . . . . . . . 4828 1 361 . 1 1 37 37 LEU CA C 13 51.79 . . . . . . . . . . . 4828 1 362 . 1 1 37 37 LEU HB2 H 1 1.01 . . . . . . . . . . . 4828 1 363 . 1 1 37 37 LEU HB3 H 1 1.44 . . . . . . . . . . . 4828 1 364 . 1 1 37 37 LEU CB C 13 42.39 . . . . . . . . . . . 4828 1 365 . 1 1 37 37 LEU HG H 1 1.31 . . . . . . . . . . . 4828 1 366 . 1 1 37 37 LEU HD11 H 1 0.47 . . . . . . . . . . . 4828 1 367 . 1 1 37 37 LEU HD12 H 1 0.47 . . . . . . . . . . . 4828 1 368 . 1 1 37 37 LEU HD13 H 1 0.47 . . . . . . . . . . . 4828 1 369 . 1 1 38 38 GLU H H 1 8.48 . . . . . . . . . . . 4828 1 370 . 1 1 38 38 GLU N N 15 125.63 . . . . . . . . . . . 4828 1 371 . 1 1 38 38 GLU C C 13 174.30 . . . . . . . . . . . 4828 1 372 . 1 1 38 38 GLU HA H 1 4.71 . . . . . . . . . . . 4828 1 373 . 1 1 38 38 GLU CA C 13 53.08 . . . . . . . . . . . 4828 1 374 . 1 1 38 38 GLU HB2 H 1 1.83 . . . . . . . . . . . 4828 1 375 . 1 1 38 38 GLU HB3 H 1 2.01 . . . . . . . . . . . 4828 1 376 . 1 1 38 38 GLU CB C 13 30.67 . . . . . . . . . . . 4828 1 377 . 1 1 38 38 GLU HG2 H 1 2.12 . . . . . . . . . . . 4828 1 378 . 1 1 38 38 GLU HG3 H 1 2.12 . . . . . . . . . . . 4828 1 379 . 1 1 39 39 ALA H H 1 9.63 . . . . . . . . . . . 4828 1 380 . 1 1 39 39 ALA N N 15 130.65 . . . . . . . . . . . 4828 1 381 . 1 1 39 39 ALA C C 13 175.25 . . . . . . . . . . . 4828 1 382 . 1 1 39 39 ALA HA H 1 4.36 . . . . . . . . . . . 4828 1 383 . 1 1 39 39 ALA CA C 13 51.28 . . . . . . . . . . . 4828 1 384 . 1 1 39 39 ALA HB1 H 1 1.06 . . . . . . . . . . . 4828 1 385 . 1 1 39 39 ALA HB2 H 1 1.06 . . . . . . . . . . . 4828 1 386 . 1 1 39 39 ALA HB3 H 1 1.06 . . . . . . . . . . . 4828 1 387 . 1 1 39 39 ALA CB C 13 17.44 . . . . . . . . . . . 4828 1 388 . 1 1 40 40 VAL H H 1 9.04 . . . . . . . . . . . 4828 1 389 . 1 1 40 40 VAL N N 15 119.65 . . . . . . . . . . . 4828 1 390 . 1 1 40 40 VAL C C 13 175.25 . . . . . . . . . . . 4828 1 391 . 1 1 40 40 VAL HA H 1 4.51 . . . . . . . . . . . 4828 1 392 . 1 1 40 40 VAL CA C 13 62.12 . . . . . . . . . . . 4828 1 393 . 1 1 40 40 VAL HB H 1 2.01 . . . . . . . . . . . 4828 1 394 . 1 1 40 40 VAL CB C 13 33.08 . . . . . . . . . . . 4828 1 395 . 1 1 40 40 VAL HG11 H 1 1.06 . . . . . . . . . . . 4828 1 396 . 1 1 40 40 VAL HG12 H 1 1.06 . . . . . . . . . . . 4828 1 397 . 1 1 40 40 VAL HG13 H 1 1.06 . . . . . . . . . . . 4828 1 398 . 1 1 40 40 VAL HG21 H 1 1.06 . . . . . . . . . . . 4828 1 399 . 1 1 40 40 VAL HG22 H 1 1.06 . . . . . . . . . . . 4828 1 400 . 1 1 40 40 VAL HG23 H 1 1.06 . . . . . . . . . . . 4828 1 401 . 1 1 41 41 GLN H H 1 7.70 . . . . . . . . . . . 4828 1 402 . 1 1 41 41 GLN N N 15 119.64 . . . . . . . . . . . 4828 1 403 . 1 1 41 41 GLN C C 13 171.74 . . . . . . . . . . . 4828 1 404 . 1 1 41 41 GLN HA H 1 5.37 . . . . . . . . . . . 4828 1 405 . 1 1 41 41 GLN CA C 13 53.38 . . . . . . . . . . . 4828 1 406 . 1 1 41 41 GLN HB2 H 1 2.01 . . . . . . . . . . . 4828 1 407 . 1 1 41 41 GLN HB3 H 1 2.12 . . . . . . . . . . . 4828 1 408 . 1 1 41 41 GLN CB C 13 33.09 . . . . . . . . . . . 4828 1 409 . 1 1 41 41 GLN HG2 H 1 2.24 . . . . . . . . . . . 4828 1 410 . 1 1 41 41 GLN HG3 H 1 2.24 . . . . . . . . . . . 4828 1 411 . 1 1 41 41 GLN NE2 N 15 112.56 . . . . . . . . . . . 4828 1 412 . 1 1 41 41 GLN HE21 H 1 6.70 . . . . . . . . . . . 4828 1 413 . 1 1 41 41 GLN HE22 H 1 7.47 . . . . . . . . . . . 4828 1 414 . 1 1 42 42 TYR H H 1 9.65 . . . . . . . . . . . 4828 1 415 . 1 1 42 42 TYR N N 15 122.99 . . . . . . . . . . . 4828 1 416 . 1 1 42 42 TYR C C 13 170.48 . . . . . . . . . . . 4828 1 417 . 1 1 42 42 TYR HA H 1 5.98 . . . . . . . . . . . 4828 1 418 . 1 1 42 42 TYR CA C 13 54.99 . . . . . . . . . . . 4828 1 419 . 1 1 42 42 TYR HB2 H 1 2.91 . . . . . . . . . . . 4828 1 420 . 1 1 42 42 TYR HB3 H 1 3.13 . . . . . . . . . . . 4828 1 421 . 1 1 42 42 TYR CB C 13 41.84 . . . . . . . . . . . 4828 1 422 . 1 1 42 42 TYR HD1 H 1 6.75 . . . . . . . . . . . 4828 1 423 . 1 1 42 42 TYR HD2 H 1 6.75 . . . . . . . . . . . 4828 1 424 . 1 1 42 42 TYR HE1 H 1 6.81 . . . . . . . . . . . 4828 1 425 . 1 1 42 42 TYR HE2 H 1 6.81 . . . . . . . . . . . 4828 1 426 . 1 1 43 43 LYS H H 1 9.37 . . . . . . . . . . . 4828 1 427 . 1 1 43 43 LYS N N 15 119.70 . . . . . . . . . . . 4828 1 428 . 1 1 43 43 LYS C C 13 174.11 . . . . . . . . . . . 4828 1 429 . 1 1 43 43 LYS HA H 1 4.33 . . . . . . . . . . . 4828 1 430 . 1 1 43 43 LYS CA C 13 53.84 . . . . . . . . . . . 4828 1 431 . 1 1 43 43 LYS HB2 H 1 1.30 . . . . . . . . . . . 4828 1 432 . 1 1 43 43 LYS HB3 H 1 1.84 . . . . . . . . . . . 4828 1 433 . 1 1 43 43 LYS CB C 13 38.64 . . . . . . . . . . . 4828 1 434 . 1 1 43 43 LYS HG2 H 1 1.09 . . . . . . . . . . . 4828 1 435 . 1 1 43 43 LYS HG3 H 1 1.09 . . . . . . . . . . . 4828 1 436 . 1 1 43 43 LYS HE2 H 1 2.87 . . . . . . . . . . . 4828 1 437 . 1 1 43 43 LYS HE3 H 1 2.87 . . . . . . . . . . . 4828 1 438 . 1 1 44 44 THR H H 1 8.74 . . . . . . . . . . . 4828 1 439 . 1 1 44 44 THR N N 15 110.75 . . . . . . . . . . . 4828 1 440 . 1 1 44 44 THR C C 13 172.52 . . . . . . . . . . . 4828 1 441 . 1 1 44 44 THR HA H 1 5.45 . . . . . . . . . . . 4828 1 442 . 1 1 44 44 THR CA C 13 58.08 . . . . . . . . . . . 4828 1 443 . 1 1 44 44 THR HB H 1 3.81 . . . . . . . . . . . 4828 1 444 . 1 1 44 44 THR CB C 13 71.06 . . . . . . . . . . . 4828 1 445 . 1 1 44 44 THR HG21 H 1 0.97 . . . . . . . . . . . 4828 1 446 . 1 1 44 44 THR HG22 H 1 0.97 . . . . . . . . . . . 4828 1 447 . 1 1 44 44 THR HG23 H 1 0.97 . . . . . . . . . . . 4828 1 448 . 1 1 45 45 GLN H H 1 8.68 . . . . . . . . . . . 4828 1 449 . 1 1 45 45 GLN N N 15 122.74 . . . . . . . . . . . 4828 1 450 . 1 1 45 45 GLN C C 13 172.47 . . . . . . . . . . . 4828 1 451 . 1 1 45 45 GLN HA H 1 4.69 . . . . . . . . . . . 4828 1 452 . 1 1 45 45 GLN CA C 13 53.53 . . . . . . . . . . . 4828 1 453 . 1 1 45 45 GLN HB2 H 1 1.91 . . . . . . . . . . . 4828 1 454 . 1 1 45 45 GLN HB3 H 1 2.33 . . . . . . . . . . . 4828 1 455 . 1 1 45 45 GLN CB C 13 32.00 . . . . . . . . . . . 4828 1 456 . 1 1 45 45 GLN HG2 H 1 1.95 . . . . . . . . . . . 4828 1 457 . 1 1 45 45 GLN HG3 H 1 1.95 . . . . . . . . . . . 4828 1 458 . 1 1 45 45 GLN NE2 N 15 114.04 . . . . . . . . . . . 4828 1 459 . 1 1 45 45 GLN HE21 H 1 6.91 . . . . . . . . . . . 4828 1 460 . 1 1 45 45 GLN HE22 H 1 6.91 . . . . . . . . . . . 4828 1 461 . 1 1 46 46 VAL H H 1 9.03 . . . . . . . . . . . 4828 1 462 . 1 1 46 46 VAL N N 15 131.65 . . . . . . . . . . . 4828 1 463 . 1 1 46 46 VAL C C 13 174.44 . . . . . . . . . . . 4828 1 464 . 1 1 46 46 VAL HA H 1 4.28 . . . . . . . . . . . 4828 1 465 . 1 1 46 46 VAL CA C 13 62.48 . . . . . . . . . . . 4828 1 466 . 1 1 46 46 VAL HB H 1 2.05 . . . . . . . . . . . 4828 1 467 . 1 1 46 46 VAL CB C 13 30.30 . . . . . . . . . . . 4828 1 468 . 1 1 46 46 VAL HG11 H 1 0.99 . . . . . . . . . . . 4828 1 469 . 1 1 46 46 VAL HG12 H 1 0.99 . . . . . . . . . . . 4828 1 470 . 1 1 46 46 VAL HG13 H 1 0.99 . . . . . . . . . . . 4828 1 471 . 1 1 46 46 VAL HG21 H 1 1.02 . . . . . . . . . . . 4828 1 472 . 1 1 46 46 VAL HG22 H 1 1.02 . . . . . . . . . . . 4828 1 473 . 1 1 46 46 VAL HG23 H 1 1.02 . . . . . . . . . . . 4828 1 474 . 1 1 47 47 VAL H H 1 8.15 . . . . . . . . . . . 4828 1 475 . 1 1 47 47 VAL N N 15 129.08 . . . . . . . . . . . 4828 1 476 . 1 1 47 47 VAL C C 13 173.48 . . . . . . . . . . . 4828 1 477 . 1 1 47 47 VAL HA H 1 4.43 . . . . . . . . . . . 4828 1 478 . 1 1 47 47 VAL CA C 13 59.51 . . . . . . . . . . . 4828 1 479 . 1 1 47 47 VAL HB H 1 2.23 . . . . . . . . . . . 4828 1 480 . 1 1 47 47 VAL CB C 13 30.31 . . . . . . . . . . . 4828 1 481 . 1 1 47 47 VAL HG21 H 1 0.82 . . . . . . . . . . . 4828 1 482 . 1 1 47 47 VAL HG22 H 1 0.82 . . . . . . . . . . . 4828 1 483 . 1 1 47 47 VAL HG23 H 1 0.82 . . . . . . . . . . . 4828 1 484 . 1 1 48 48 ALA H H 1 8.09 . . . . . . . . . . . 4828 1 485 . 1 1 48 48 ALA N N 15 131.34 . . . . . . . . . . . 4828 1 486 . 1 1 48 48 ALA C C 13 175.57 . . . . . . . . . . . 4828 1 487 . 1 1 48 48 ALA HA H 1 4.68 . . . . . . . . . . . 4828 1 488 . 1 1 48 48 ALA CA C 13 50.95 . . . . . . . . . . . 4828 1 489 . 1 1 48 48 ALA HB1 H 1 1.39 . . . . . . . . . . . 4828 1 490 . 1 1 48 48 ALA HB2 H 1 1.39 . . . . . . . . . . . 4828 1 491 . 1 1 48 48 ALA HB3 H 1 1.39 . . . . . . . . . . . 4828 1 492 . 1 1 48 48 ALA CB C 13 15.00 . . . . . . . . . . . 4828 1 493 . 1 1 49 49 GLY H H 1 7.51 . . . . . . . . . . . 4828 1 494 . 1 1 49 49 GLY N N 15 107.70 . . . . . . . . . . . 4828 1 495 . 1 1 49 49 GLY C C 13 171.15 . . . . . . . . . . . 4828 1 496 . 1 1 49 49 GLY HA2 H 1 3.56 . . . . . . . . . . . 4828 1 497 . 1 1 49 49 GLY HA3 H 1 4.46 . . . . . . . . . . . 4828 1 498 . 1 1 49 49 GLY CA C 13 42.72 . . . . . . . . . . . 4828 1 499 . 1 1 50 50 THR H H 1 8.38 . . . . . . . . . . . 4828 1 500 . 1 1 50 50 THR N N 15 118.44 . . . . . . . . . . . 4828 1 501 . 1 1 50 50 THR C C 13 171.12 . . . . . . . . . . . 4828 1 502 . 1 1 50 50 THR HA H 1 4.77 . . . . . . . . . . . 4828 1 503 . 1 1 50 50 THR CA C 13 61.00 . . . . . . . . . . . 4828 1 504 . 1 1 50 50 THR HB H 1 3.65 . . . . . . . . . . . 4828 1 505 . 1 1 50 50 THR CB C 13 70.15 . . . . . . . . . . . 4828 1 506 . 1 1 50 50 THR HG21 H 1 0.51 . . . . . . . . . . . 4828 1 507 . 1 1 50 50 THR HG22 H 1 0.51 . . . . . . . . . . . 4828 1 508 . 1 1 50 50 THR HG23 H 1 0.51 . . . . . . . . . . . 4828 1 509 . 1 1 51 51 ASN H H 1 8.91 . . . . . . . . . . . 4828 1 510 . 1 1 51 51 ASN N N 15 124.47 . . . . . . . . . . . 4828 1 511 . 1 1 51 51 ASN C C 13 172.65 . . . . . . . . . . . 4828 1 512 . 1 1 51 51 ASN HA H 1 5.62 . . . . . . . . . . . 4828 1 513 . 1 1 51 51 ASN CA C 13 50.23 . . . . . . . . . . . 4828 1 514 . 1 1 51 51 ASN HB2 H 1 1.80 . . . . . . . . . . . 4828 1 515 . 1 1 51 51 ASN HB3 H 1 2.82 . . . . . . . . . . . 4828 1 516 . 1 1 51 51 ASN CB C 13 39.08 . . . . . . . . . . . 4828 1 517 . 1 1 51 51 ASN ND2 N 15 111.66 . . . . . . . . . . . 4828 1 518 . 1 1 51 51 ASN HD21 H 1 6.63 . . . . . . . . . . . 4828 1 519 . 1 1 51 51 ASN HD22 H 1 7.01 . . . . . . . . . . . 4828 1 520 . 1 1 52 52 TYR H H 1 9.84 . . . . . . . . . . . 4828 1 521 . 1 1 52 52 TYR N N 15 123.44 . . . . . . . . . . . 4828 1 522 . 1 1 52 52 TYR C C 13 173.00 . . . . . . . . . . . 4828 1 523 . 1 1 52 52 TYR HA H 1 4.82 . . . . . . . . . . . 4828 1 524 . 1 1 52 52 TYR CA C 13 55.80 . . . . . . . . . . . 4828 1 525 . 1 1 52 52 TYR HB2 H 1 2.48 . . . . . . . . . . . 4828 1 526 . 1 1 52 52 TYR HB3 H 1 2.90 . . . . . . . . . . . 4828 1 527 . 1 1 52 52 TYR CB C 13 39.08 . . . . . . . . . . . 4828 1 528 . 1 1 52 52 TYR HD1 H 1 6.74 . . . . . . . . . . . 4828 1 529 . 1 1 52 52 TYR HD2 H 1 6.74 . . . . . . . . . . . 4828 1 530 . 1 1 52 52 TYR HE1 H 1 6.40 . . . . . . . . . . . 4828 1 531 . 1 1 52 52 TYR HE2 H 1 6.40 . . . . . . . . . . . 4828 1 532 . 1 1 53 53 TYR H H 1 9.14 . . . . . . . . . . . 4828 1 533 . 1 1 53 53 TYR N N 15 124.20 . . . . . . . . . . . 4828 1 534 . 1 1 53 53 TYR C C 13 174.45 . . . . . . . . . . . 4828 1 535 . 1 1 53 53 TYR HA H 1 5.48 . . . . . . . . . . . 4828 1 536 . 1 1 53 53 TYR CA C 13 55.27 . . . . . . . . . . . 4828 1 537 . 1 1 53 53 TYR HB2 H 1 2.48 . . . . . . . . . . . 4828 1 538 . 1 1 53 53 TYR HB3 H 1 2.59 . . . . . . . . . . . 4828 1 539 . 1 1 53 53 TYR CB C 13 37.88 . . . . . . . . . . . 4828 1 540 . 1 1 53 53 TYR HD1 H 1 6.57 . . . . . . . . . . . 4828 1 541 . 1 1 53 53 TYR HD2 H 1 6.57 . . . . . . . . . . . 4828 1 542 . 1 1 53 53 TYR HE1 H 1 6.16 . . . . . . . . . . . 4828 1 543 . 1 1 53 53 TYR HE2 H 1 6.16 . . . . . . . . . . . 4828 1 544 . 1 1 54 54 ILE H H 1 9.49 . . . . . . . . . . . 4828 1 545 . 1 1 54 54 ILE N N 15 123.07 . . . . . . . . . . . 4828 1 546 . 1 1 54 54 ILE C C 13 173.82 . . . . . . . . . . . 4828 1 547 . 1 1 54 54 ILE HA H 1 4.85 . . . . . . . . . . . 4828 1 548 . 1 1 54 54 ILE CA C 13 58.69 . . . . . . . . . . . 4828 1 549 . 1 1 54 54 ILE HB H 1 1.50 . . . . . . . . . . . 4828 1 550 . 1 1 54 54 ILE CB C 13 41.52 . . . . . . . . . . . 4828 1 551 . 1 1 54 54 ILE HG12 H 1 1.67 . . . . . . . . . . . 4828 1 552 . 1 1 54 54 ILE HG13 H 1 1.67 . . . . . . . . . . . 4828 1 553 . 1 1 54 54 ILE HG21 H 1 0.79 . . . . . . . . . . . 4828 1 554 . 1 1 54 54 ILE HG22 H 1 0.79 . . . . . . . . . . . 4828 1 555 . 1 1 54 54 ILE HG23 H 1 0.79 . . . . . . . . . . . 4828 1 556 . 1 1 54 54 ILE HD11 H 1 0.62 . . . . . . . . . . . 4828 1 557 . 1 1 54 54 ILE HD12 H 1 0.62 . . . . . . . . . . . 4828 1 558 . 1 1 54 54 ILE HD13 H 1 0.62 . . . . . . . . . . . 4828 1 559 . 1 1 55 55 LYS H H 1 9.13 . . . . . . . . . . . 4828 1 560 . 1 1 55 55 LYS N N 15 131.37 . . . . . . . . . . . 4828 1 561 . 1 1 55 55 LYS C C 13 173.32 . . . . . . . . . . . 4828 1 562 . 1 1 55 55 LYS HA H 1 5.15 . . . . . . . . . . . 4828 1 563 . 1 1 55 55 LYS CA C 13 54.19 . . . . . . . . . . . 4828 1 564 . 1 1 55 55 LYS HB2 H 1 1.63 . . . . . . . . . . . 4828 1 565 . 1 1 55 55 LYS HB3 H 1 1.72 . . . . . . . . . . . 4828 1 566 . 1 1 55 55 LYS CB C 13 31.85 . . . . . . . . . . . 4828 1 567 . 1 1 55 55 LYS HG3 H 1 1.52 . . . . . . . . . . . 4828 1 568 . 1 1 55 55 LYS HG2 H 1 1.56 . . . . . . . . . . . 4828 1 569 . 1 1 55 55 LYS HE3 H 1 2.79 . . . . . . . . . . . 4828 1 570 . 1 1 55 55 LYS HE2 H 1 3.08 . . . . . . . . . . . 4828 1 571 . 1 1 56 56 VAL H H 1 9.57 . . . . . . . . . . . 4828 1 572 . 1 1 56 56 VAL N N 15 126.23 . . . . . . . . . . . 4828 1 573 . 1 1 56 56 VAL C C 13 171.62 . . . . . . . . . . . 4828 1 574 . 1 1 56 56 VAL HA H 1 5.33 . . . . . . . . . . . 4828 1 575 . 1 1 56 56 VAL CA C 13 57.15 . . . . . . . . . . . 4828 1 576 . 1 1 56 56 VAL HB H 1 1.76 . . . . . . . . . . . 4828 1 577 . 1 1 56 56 VAL CB C 13 33.26 . . . . . . . . . . . 4828 1 578 . 1 1 56 56 VAL HG11 H 1 0.73 . . . . . . . . . . . 4828 1 579 . 1 1 56 56 VAL HG12 H 1 0.73 . . . . . . . . . . . 4828 1 580 . 1 1 56 56 VAL HG13 H 1 0.73 . . . . . . . . . . . 4828 1 581 . 1 1 56 56 VAL HG21 H 1 0.80 . . . . . . . . . . . 4828 1 582 . 1 1 56 56 VAL HG22 H 1 0.80 . . . . . . . . . . . 4828 1 583 . 1 1 56 56 VAL HG23 H 1 0.80 . . . . . . . . . . . 4828 1 584 . 1 1 57 57 ARG H H 1 9.26 . . . . . . . . . . . 4828 1 585 . 1 1 57 57 ARG N N 15 127.08 . . . . . . . . . . . 4828 1 586 . 1 1 57 57 ARG C C 13 173.60 . . . . . . . . . . . 4828 1 587 . 1 1 57 57 ARG HA H 1 4.27 . . . . . . . . . . . 4828 1 588 . 1 1 57 57 ARG CA C 13 53.48 . . . . . . . . . . . 4828 1 589 . 1 1 57 57 ARG HB2 H 1 1.32 . . . . . . . . . . . 4828 1 590 . 1 1 57 57 ARG HB3 H 1 1.74 . . . . . . . . . . . 4828 1 591 . 1 1 57 57 ARG CB C 13 31.33 . . . . . . . . . . . 4828 1 592 . 1 1 57 57 ARG HG3 H 1 0.89 . . . . . . . . . . . 4828 1 593 . 1 1 57 57 ARG HG2 H 1 1.37 . . . . . . . . . . . 4828 1 594 . 1 1 57 57 ARG HD3 H 1 3.07 . . . . . . . . . . . 4828 1 595 . 1 1 57 57 ARG HD2 H 1 3.15 . . . . . . . . . . . 4828 1 596 . 1 1 58 58 ALA H H 1 8.76 . . . . . . . . . . . 4828 1 597 . 1 1 58 58 ALA N N 15 132.80 . . . . . . . . . . . 4828 1 598 . 1 1 58 58 ALA C C 13 174.92 . . . . . . . . . . . 4828 1 599 . 1 1 58 58 ALA HA H 1 4.90 . . . . . . . . . . . 4828 1 600 . 1 1 58 58 ALA CA C 13 48.91 . . . . . . . . . . . 4828 1 601 . 1 1 58 58 ALA HB1 H 1 1.12 . . . . . . . . . . . 4828 1 602 . 1 1 58 58 ALA HB2 H 1 1.12 . . . . . . . . . . . 4828 1 603 . 1 1 58 58 ALA HB3 H 1 1.12 . . . . . . . . . . . 4828 1 604 . 1 1 58 58 ALA CB C 13 19.29 . . . . . . . . . . . 4828 1 605 . 1 1 59 59 GLY H H 1 7.97 . . . . . . . . . . . 4828 1 606 . 1 1 59 59 GLY N N 15 109.48 . . . . . . . . . . . 4828 1 607 . 1 1 59 59 GLY C C 13 171.61 . . . . . . . . . . . 4828 1 608 . 1 1 59 59 GLY HA2 H 1 3.83 . . . . . . . . . . . 4828 1 609 . 1 1 59 59 GLY HA3 H 1 3.91 . . . . . . . . . . . 4828 1 610 . 1 1 60 60 ASP H H 1 8.50 . . . . . . . . . . . 4828 1 611 . 1 1 60 60 ASP N N 15 121.20 . . . . . . . . . . . 4828 1 612 . 1 1 60 60 ASP C C 13 175.08 . . . . . . . . . . . 4828 1 613 . 1 1 60 60 ASP HA H 1 4.38 . . . . . . . . . . . 4828 1 614 . 1 1 60 60 ASP CA C 13 54.18 . . . . . . . . . . . 4828 1 615 . 1 1 60 60 ASP HB2 H 1 2.65 . . . . . . . . . . . 4828 1 616 . 1 1 60 60 ASP CB C 13 38.59 . . . . . . . . . . . 4828 1 617 . 1 1 61 61 ASN H H 1 8.52 . . . . . . . . . . . 4828 1 618 . 1 1 61 61 ASN N N 15 117.05 . . . . . . . . . . . 4828 1 619 . 1 1 61 61 ASN C C 13 172.23 . . . . . . . . . . . 4828 1 620 . 1 1 61 61 ASN HA H 1 4.58 . . . . . . . . . . . 4828 1 621 . 1 1 61 61 ASN CA C 13 52.27 . . . . . . . . . . . 4828 1 622 . 1 1 61 61 ASN HB2 H 1 2.82 . . . . . . . . . . . 4828 1 623 . 1 1 61 61 ASN HB3 H 1 3.04 . . . . . . . . . . . 4828 1 624 . 1 1 61 61 ASN CB C 13 37.19 . . . . . . . . . . . 4828 1 625 . 1 1 61 61 ASN ND2 N 15 114.51 . . . . . . . . . . . 4828 1 626 . 1 1 61 61 ASN HD21 H 1 6.85 . . . . . . . . . . . 4828 1 627 . 1 1 61 61 ASN HD22 H 1 7.54 . . . . . . . . . . . 4828 1 628 . 1 1 62 62 LYS H H 1 7.11 . . . . . . . . . . . 4828 1 629 . 1 1 62 62 LYS N N 15 120.36 . . . . . . . . . . . 4828 1 630 . 1 1 62 62 LYS C C 13 172.86 . . . . . . . . . . . 4828 1 631 . 1 1 62 62 LYS HA H 1 4.79 . . . . . . . . . . . 4828 1 632 . 1 1 62 62 LYS CA C 13 53.99 . . . . . . . . . . . 4828 1 633 . 1 1 62 62 LYS HB2 H 1 1.65 . . . . . . . . . . . 4828 1 634 . 1 1 62 62 LYS HB3 H 1 1.65 . . . . . . . . . . . 4828 1 635 . 1 1 62 62 LYS CB C 13 32.66 . . . . . . . . . . . 4828 1 636 . 1 1 62 62 LYS HG2 H 1 1.50 . . . . . . . . . . . 4828 1 637 . 1 1 62 62 LYS HG3 H 1 1.50 . . . . . . . . . . . 4828 1 638 . 1 1 62 62 LYS HD3 H 1 1.30 . . . . . . . . . . . 4828 1 639 . 1 1 62 62 LYS HD2 H 1 1.71 . . . . . . . . . . . 4828 1 640 . 1 1 62 62 LYS HE2 H 1 3.03 . . . . . . . . . . . 4828 1 641 . 1 1 62 62 LYS HE3 H 1 3.03 . . . . . . . . . . . 4828 1 642 . 1 1 63 63 TYR H H 1 8.40 . . . . . . . . . . . 4828 1 643 . 1 1 63 63 TYR N N 15 121.94 . . . . . . . . . . . 4828 1 644 . 1 1 63 63 TYR C C 13 173.41 . . . . . . . . . . . 4828 1 645 . 1 1 63 63 TYR HA H 1 5.51 . . . . . . . . . . . 4828 1 646 . 1 1 63 63 TYR CA C 13 54.72 . . . . . . . . . . . 4828 1 647 . 1 1 63 63 TYR HB2 H 1 2.47 . . . . . . . . . . . 4828 1 648 . 1 1 63 63 TYR HB3 H 1 2.59 . . . . . . . . . . . 4828 1 649 . 1 1 63 63 TYR CB C 13 39.19 . . . . . . . . . . . 4828 1 650 . 1 1 63 63 TYR HD1 H 1 6.89 . . . . . . . . . . . 4828 1 651 . 1 1 63 63 TYR HD2 H 1 6.89 . . . . . . . . . . . 4828 1 652 . 1 1 63 63 TYR HE1 H 1 6.70 . . . . . . . . . . . 4828 1 653 . 1 1 63 63 TYR HE2 H 1 6.70 . . . . . . . . . . . 4828 1 654 . 1 1 64 64 LEU H H 1 9.02 . . . . . . . . . . . 4828 1 655 . 1 1 64 64 LEU N N 15 120.54 . . . . . . . . . . . 4828 1 656 . 1 1 64 64 LEU C C 13 174.67 . . . . . . . . . . . 4828 1 657 . 1 1 64 64 LEU HA H 1 5.05 . . . . . . . . . . . 4828 1 658 . 1 1 64 64 LEU CA C 13 52.86 . . . . . . . . . . . 4828 1 659 . 1 1 64 64 LEU HB2 H 1 1.29 . . . . . . . . . . . 4828 1 660 . 1 1 64 64 LEU HB3 H 1 1.64 . . . . . . . . . . . 4828 1 661 . 1 1 64 64 LEU CB C 13 44.39 . . . . . . . . . . . 4828 1 662 . 1 1 64 64 LEU HG H 1 1.70 . . . . . . . . . . . 4828 1 663 . 1 1 64 64 LEU HD11 H 1 0.55 . . . . . . . . . . . 4828 1 664 . 1 1 64 64 LEU HD12 H 1 0.55 . . . . . . . . . . . 4828 1 665 . 1 1 64 64 LEU HD13 H 1 0.55 . . . . . . . . . . . 4828 1 666 . 1 1 64 64 LEU HD21 H 1 0.78 . . . . . . . . . . . 4828 1 667 . 1 1 64 64 LEU HD22 H 1 0.78 . . . . . . . . . . . 4828 1 668 . 1 1 64 64 LEU HD23 H 1 0.78 . . . . . . . . . . . 4828 1 669 . 1 1 65 65 HIS H H 1 8.97 . . . . . . . . . . . 4828 1 670 . 1 1 65 65 HIS N N 15 121.56 . . . . . . . . . . . 4828 1 671 . 1 1 65 65 HIS C C 13 172.46 . . . . . . . . . . . 4828 1 672 . 1 1 65 65 HIS HA H 1 6.03 . . . . . . . . . . . 4828 1 673 . 1 1 65 65 HIS CA C 13 51.24 . . . . . . . . . . . 4828 1 674 . 1 1 65 65 HIS HB2 H 1 2.95 . . . . . . . . . . . 4828 1 675 . 1 1 65 65 HIS HB3 H 1 3.22 . . . . . . . . . . . 4828 1 676 . 1 1 65 65 HIS CB C 13 30.10 . . . . . . . . . . . 4828 1 677 . 1 1 65 65 HIS HD2 H 1 9.01 . . . . . . . . . . . 4828 1 678 . 1 1 65 65 HIS HE1 H 1 7.68 . . . . . . . . . . . 4828 1 679 . 1 1 66 66 LEU H H 1 9.74 . . . . . . . . . . . 4828 1 680 . 1 1 66 66 LEU N N 15 123.91 . . . . . . . . . . . 4828 1 681 . 1 1 66 66 LEU C C 13 172.71 . . . . . . . . . . . 4828 1 682 . 1 1 66 66 LEU HA H 1 4.98 . . . . . . . . . . . 4828 1 683 . 1 1 66 66 LEU CA C 13 52.23 . . . . . . . . . . . 4828 1 684 . 1 1 66 66 LEU HB2 H 1 1.41 . . . . . . . . . . . 4828 1 685 . 1 1 66 66 LEU HB3 H 1 1.74 . . . . . . . . . . . 4828 1 686 . 1 1 66 66 LEU CB C 13 43.20 . . . . . . . . . . . 4828 1 687 . 1 1 66 66 LEU HG H 1 1.76 . . . . . . . . . . . 4828 1 688 . 1 1 66 66 LEU HD11 H 1 0.72 . . . . . . . . . . . 4828 1 689 . 1 1 66 66 LEU HD12 H 1 0.72 . . . . . . . . . . . 4828 1 690 . 1 1 66 66 LEU HD13 H 1 0.72 . . . . . . . . . . . 4828 1 691 . 1 1 66 66 LEU HD21 H 1 0.85 . . . . . . . . . . . 4828 1 692 . 1 1 66 66 LEU HD22 H 1 0.85 . . . . . . . . . . . 4828 1 693 . 1 1 66 66 LEU HD23 H 1 0.85 . . . . . . . . . . . 4828 1 694 . 1 1 67 67 LYS H H 1 8.45 . . . . . . . . . . . 4828 1 695 . 1 1 67 67 LYS N N 15 125.71 . . . . . . . . . . . 4828 1 696 . 1 1 67 67 LYS C C 13 172.55 . . . . . . . . . . . 4828 1 697 . 1 1 67 67 LYS HA H 1 4.91 . . . . . . . . . . . 4828 1 698 . 1 1 67 67 LYS CA C 13 53.52 . . . . . . . . . . . 4828 1 699 . 1 1 67 67 LYS HB2 H 1 0.86 . . . . . . . . . . . 4828 1 700 . 1 1 67 67 LYS HB3 H 1 1.26 . . . . . . . . . . . 4828 1 701 . 1 1 67 67 LYS CB C 13 33.41 . . . . . . . . . . . 4828 1 702 . 1 1 67 67 LYS HD3 H 1 0.93 . . . . . . . . . . . 4828 1 703 . 1 1 67 67 LYS HD2 H 1 1.04 . . . . . . . . . . . 4828 1 704 . 1 1 67 67 LYS HE3 H 1 2.50 . . . . . . . . . . . 4828 1 705 . 1 1 67 67 LYS HE2 H 1 2.57 . . . . . . . . . . . 4828 1 706 . 1 1 68 68 VAL H H 1 9.14 . . . . . . . . . . . 4828 1 707 . 1 1 68 68 VAL N N 15 128.36 . . . . . . . . . . . 4828 1 708 . 1 1 68 68 VAL C C 13 171.96 . . . . . . . . . . . 4828 1 709 . 1 1 68 68 VAL HA H 1 4.85 . . . . . . . . . . . 4828 1 710 . 1 1 68 68 VAL CA C 13 58.72 . . . . . . . . . . . 4828 1 711 . 1 1 68 68 VAL HB H 1 1.82 . . . . . . . . . . . 4828 1 712 . 1 1 68 68 VAL CB C 13 34.00 . . . . . . . . . . . 4828 1 713 . 1 1 68 68 VAL HG11 H 1 0.75 . . . . . . . . . . . 4828 1 714 . 1 1 68 68 VAL HG12 H 1 0.75 . . . . . . . . . . . 4828 1 715 . 1 1 68 68 VAL HG13 H 1 0.75 . . . . . . . . . . . 4828 1 716 . 1 1 68 68 VAL HG21 H 1 0.79 . . . . . . . . . . . 4828 1 717 . 1 1 68 68 VAL HG22 H 1 0.79 . . . . . . . . . . . 4828 1 718 . 1 1 68 68 VAL HG23 H 1 0.79 . . . . . . . . . . . 4828 1 719 . 1 1 69 69 PHE H H 1 9.52 . . . . . . . . . . . 4828 1 720 . 1 1 69 69 PHE N N 15 130.18 . . . . . . . . . . . 4828 1 721 . 1 1 69 69 PHE C C 13 172.14 . . . . . . . . . . . 4828 1 722 . 1 1 69 69 PHE HA H 1 5.43 . . . . . . . . . . . 4828 1 723 . 1 1 69 69 PHE CA C 13 55.07 . . . . . . . . . . . 4828 1 724 . 1 1 69 69 PHE HB2 H 1 2.85 . . . . . . . . . . . 4828 1 725 . 1 1 69 69 PHE HB3 H 1 3.28 . . . . . . . . . . . 4828 1 726 . 1 1 69 69 PHE CB C 13 40.46 . . . . . . . . . . . 4828 1 727 . 1 1 69 69 PHE HD1 H 1 7.09 . . . . . . . . . . . 4828 1 728 . 1 1 69 69 PHE HD2 H 1 7.09 . . . . . . . . . . . 4828 1 729 . 1 1 69 69 PHE HE1 H 1 7.42 . . . . . . . . . . . 4828 1 730 . 1 1 69 69 PHE HE2 H 1 7.42 . . . . . . . . . . . 4828 1 731 . 1 1 69 69 PHE HZ H 1 7.09 . . . . . . . . . . . 4828 1 732 . 1 1 70 70 LYS H H 1 8.63 . . . . . . . . . . . 4828 1 733 . 1 1 70 70 LYS N N 15 131.61 . . . . . . . . . . . 4828 1 734 . 1 1 70 70 LYS C C 13 173.10 . . . . . . . . . . . 4828 1 735 . 1 1 70 70 LYS HA H 1 4.68 . . . . . . . . . . . 4828 1 736 . 1 1 70 70 LYS CA C 13 52.76 . . . . . . . . . . . 4828 1 737 . 1 1 70 70 LYS HB2 H 1 1.32 . . . . . . . . . . . 4828 1 738 . 1 1 70 70 LYS HB3 H 1 1.87 . . . . . . . . . . . 4828 1 739 . 1 1 70 70 LYS CB C 13 35.02 . . . . . . . . . . . 4828 1 740 . 1 1 70 70 LYS HG2 H 1 1.42 . . . . . . . . . . . 4828 1 741 . 1 1 70 70 LYS HG3 H 1 1.42 . . . . . . . . . . . 4828 1 742 . 1 1 70 70 LYS HD3 H 1 1.56 . . . . . . . . . . . 4828 1 743 . 1 1 70 70 LYS HD2 H 1 1.65 . . . . . . . . . . . 4828 1 744 . 1 1 70 70 LYS HE3 H 1 2.92 . . . . . . . . . . . 4828 1 745 . 1 1 70 70 LYS HE2 H 1 2.97 . . . . . . . . . . . 4828 1 746 . 1 1 71 71 SER H H 1 8.06 . . . . . . . . . . . 4828 1 747 . 1 1 71 71 SER N N 15 123.01 . . . . . . . . . . . 4828 1 748 . 1 1 71 71 SER C C 13 173.07 . . . . . . . . . . . 4828 1 749 . 1 1 71 71 SER HA H 1 4.31 . . . . . . . . . . . 4828 1 750 . 1 1 71 71 SER CA C 13 57.09 . . . . . . . . . . . 4828 1 751 . 1 1 71 71 SER HB2 H 1 3.93 . . . . . . . . . . . 4828 1 752 . 1 1 71 71 SER HB3 H 1 4.08 . . . . . . . . . . . 4828 1 753 . 1 1 71 71 SER CB C 13 63.18 . . . . . . . . . . . 4828 1 754 . 1 1 72 72 LEU H H 1 8.27 . . . . . . . . . . . 4828 1 755 . 1 1 72 72 LEU N N 15 122.97 . . . . . . . . . . . 4828 1 756 . 1 1 72 72 LEU HA H 1 4.31 . . . . . . . . . . . 4828 1 757 . 1 1 72 72 LEU CA C 13 52.43 . . . . . . . . . . . 4828 1 758 . 1 1 72 72 LEU HB2 H 1 1.49 . . . . . . . . . . . 4828 1 759 . 1 1 72 72 LEU CB C 13 39.54 . . . . . . . . . . . 4828 1 760 . 1 1 72 72 LEU HD11 H 1 0.85 . . . . . . . . . . . 4828 1 761 . 1 1 72 72 LEU HD12 H 1 0.85 . . . . . . . . . . . 4828 1 762 . 1 1 72 72 LEU HD13 H 1 0.85 . . . . . . . . . . . 4828 1 763 . 1 1 72 72 LEU HD21 H 1 0.85 . . . . . . . . . . . 4828 1 764 . 1 1 72 72 LEU HD22 H 1 0.85 . . . . . . . . . . . 4828 1 765 . 1 1 72 72 LEU HD23 H 1 0.85 . . . . . . . . . . . 4828 1 766 . 1 1 73 73 PRO C C 13 175.88 . . . . . . . . . . . 4828 1 767 . 1 1 73 73 PRO HA H 1 4.48 . . . . . . . . . . . 4828 1 768 . 1 1 73 73 PRO CA C 13 62.15 . . . . . . . . . . . 4828 1 769 . 1 1 73 73 PRO HB2 H 1 1.91 . . . . . . . . . . . 4828 1 770 . 1 1 73 73 PRO HB3 H 1 2.30 . . . . . . . . . . . 4828 1 771 . 1 1 73 73 PRO CB C 13 30.42 . . . . . . . . . . . 4828 1 772 . 1 1 73 73 PRO HG2 H 1 2.05 . . . . . . . . . . . 4828 1 773 . 1 1 73 73 PRO HG3 H 1 2.05 . . . . . . . . . . . 4828 1 774 . 1 1 73 73 PRO HD3 H 1 3.60 . . . . . . . . . . . 4828 1 775 . 1 1 73 73 PRO HD2 H 1 3.76 . . . . . . . . . . . 4828 1 776 . 1 1 74 74 GLY H H 1 8.45 . . . . . . . . . . . 4828 1 777 . 1 1 74 74 GLY N N 15 111.53 . . . . . . . . . . . 4828 1 778 . 1 1 74 74 GLY C C 13 172.77 . . . . . . . . . . . 4828 1 779 . 1 1 74 74 GLY HA2 H 1 4.00 . . . . . . . . . . . 4828 1 780 . 1 1 74 74 GLY CA C 13 43.78 . . . . . . . . . . . 4828 1 781 . 1 1 75 75 GLN H H 1 7.93 . . . . . . . . . . . 4828 1 782 . 1 1 75 75 GLN N N 15 121.01 . . . . . . . . . . . 4828 1 783 . 1 1 75 75 GLN C C 13 174.17 . . . . . . . . . . . 4828 1 784 . 1 1 75 75 GLN HA H 1 4.37 . . . . . . . . . . . 4828 1 785 . 1 1 75 75 GLN CA C 13 54.20 . . . . . . . . . . . 4828 1 786 . 1 1 75 75 GLN HB2 H 1 2.04 . . . . . . . . . . . 4828 1 787 . 1 1 75 75 GLN HB3 H 1 2.19 . . . . . . . . . . . 4828 1 788 . 1 1 75 75 GLN CB C 13 27.58 . . . . . . . . . . . 4828 1 789 . 1 1 75 75 GLN NE2 N 15 113.87 . . . . . . . . . . . 4828 1 790 . 1 1 75 75 GLN HE21 H 1 6.77 . . . . . . . . . . . 4828 1 791 . 1 1 75 75 GLN HE22 H 1 7.48 . . . . . . . . . . . 4828 1 792 . 1 1 76 76 ASN H H 1 8.28 . . . . . . . . . . . 4828 1 793 . 1 1 76 76 ASN N N 15 119.18 . . . . . . . . . . . 4828 1 794 . 1 1 76 76 ASN C C 13 173.22 . . . . . . . . . . . 4828 1 795 . 1 1 76 76 ASN HA H 1 4.57 . . . . . . . . . . . 4828 1 796 . 1 1 76 76 ASN CA C 13 52.27 . . . . . . . . . . . 4828 1 797 . 1 1 76 76 ASN HB2 H 1 2.68 . . . . . . . . . . . 4828 1 798 . 1 1 76 76 ASN HB3 H 1 2.83 . . . . . . . . . . . 4828 1 799 . 1 1 76 76 ASN CB C 13 37.11 . . . . . . . . . . . 4828 1 800 . 1 1 76 76 ASN ND2 N 15 114.53 . . . . . . . . . . . 4828 1 801 . 1 1 76 76 ASN HD21 H 1 6.83 . . . . . . . . . . . 4828 1 802 . 1 1 76 76 ASN HD22 H 1 7.54 . . . . . . . . . . . 4828 1 803 . 1 1 77 77 GLU H H 1 8.07 . . . . . . . . . . . 4828 1 804 . 1 1 77 77 GLU N N 15 121.81 . . . . . . . . . . . 4828 1 805 . 1 1 77 77 GLU C C 13 173.94 . . . . . . . . . . . 4828 1 806 . 1 1 77 77 GLU HA H 1 4.24 . . . . . . . . . . . 4828 1 807 . 1 1 77 77 GLU CA C 13 54.61 . . . . . . . . . . . 4828 1 808 . 1 1 77 77 GLU HB2 H 1 1.86 . . . . . . . . . . . 4828 1 809 . 1 1 77 77 GLU HB3 H 1 2.04 . . . . . . . . . . . 4828 1 810 . 1 1 77 77 GLU CB C 13 28.32 . . . . . . . . . . . 4828 1 811 . 1 1 77 77 GLU HG2 H 1 2.21 . . . . . . . . . . . 4828 1 812 . 1 1 77 77 GLU HG3 H 1 2.21 . . . . . . . . . . . 4828 1 813 . 1 1 78 78 ASP H H 1 8.23 . . . . . . . . . . . 4828 1 814 . 1 1 78 78 ASP N N 15 123.50 . . . . . . . . . . . 4828 1 815 . 1 1 78 78 ASP C C 13 173.57 . . . . . . . . . . . 4828 1 816 . 1 1 78 78 ASP HA H 1 4.63 . . . . . . . . . . . 4828 1 817 . 1 1 78 78 ASP CA C 13 52.67 . . . . . . . . . . . 4828 1 818 . 1 1 78 78 ASP HB2 H 1 2.60 . . . . . . . . . . . 4828 1 819 . 1 1 78 78 ASP HB3 H 1 2.66 . . . . . . . . . . . 4828 1 820 . 1 1 78 78 ASP CB C 13 40.08 . . . . . . . . . . . 4828 1 821 . 1 1 79 79 LEU H H 1 8.15 . . . . . . . . . . . 4828 1 822 . 1 1 79 79 LEU N N 15 123.75 . . . . . . . . . . . 4828 1 823 . 1 1 79 79 LEU C C 13 174.97 . . . . . . . . . . . 4828 1 824 . 1 1 79 79 LEU HA H 1 4.87 . . . . . . . . . . . 4828 1 825 . 1 1 79 79 LEU CA C 13 52.52 . . . . . . . . . . . 4828 1 826 . 1 1 79 79 LEU HB2 H 1 1.12 . . . . . . . . . . . 4828 1 827 . 1 1 79 79 LEU HB3 H 1 1.52 . . . . . . . . . . . 4828 1 828 . 1 1 79 79 LEU CB C 13 42.58 . . . . . . . . . . . 4828 1 829 . 1 1 79 79 LEU HD11 H 1 0.75 . . . . . . . . . . . 4828 1 830 . 1 1 79 79 LEU HD12 H 1 0.75 . . . . . . . . . . . 4828 1 831 . 1 1 79 79 LEU HD13 H 1 0.75 . . . . . . . . . . . 4828 1 832 . 1 1 79 79 LEU HD21 H 1 0.83 . . . . . . . . . . . 4828 1 833 . 1 1 79 79 LEU HD22 H 1 0.83 . . . . . . . . . . . 4828 1 834 . 1 1 79 79 LEU HD23 H 1 0.83 . . . . . . . . . . . 4828 1 835 . 1 1 80 80 VAL H H 1 8.71 . . . . . . . . . . . 4828 1 836 . 1 1 80 80 VAL N N 15 123.88 . . . . . . . . . . . 4828 1 837 . 1 1 80 80 VAL C C 13 173.34 . . . . . . . . . . . 4828 1 838 . 1 1 80 80 VAL HA H 1 4.59 . . . . . . . . . . . 4828 1 839 . 1 1 80 80 VAL CA C 13 59.33 . . . . . . . . . . . 4828 1 840 . 1 1 80 80 VAL HB H 1 2.14 . . . . . . . . . . . 4828 1 841 . 1 1 80 80 VAL CB C 13 34.33 . . . . . . . . . . . 4828 1 842 . 1 1 80 80 VAL HG11 H 1 0.95 . . . . . . . . . . . 4828 1 843 . 1 1 80 80 VAL HG12 H 1 0.95 . . . . . . . . . . . 4828 1 844 . 1 1 80 80 VAL HG13 H 1 0.95 . . . . . . . . . . . 4828 1 845 . 1 1 80 80 VAL HG21 H 1 1.02 . . . . . . . . . . . 4828 1 846 . 1 1 80 80 VAL HG22 H 1 1.02 . . . . . . . . . . . 4828 1 847 . 1 1 80 80 VAL HG23 H 1 1.02 . . . . . . . . . . . 4828 1 848 . 1 1 81 81 LEU H H 1 8.85 . . . . . . . . . . . 4828 1 849 . 1 1 81 81 LEU N N 15 130.62 . . . . . . . . . . . 4828 1 850 . 1 1 81 81 LEU C C 13 173.97 . . . . . . . . . . . 4828 1 851 . 1 1 81 81 LEU HA H 1 4.84 . . . . . . . . . . . 4828 1 852 . 1 1 81 81 LEU CA C 13 53.22 . . . . . . . . . . . 4828 1 853 . 1 1 81 81 LEU HB2 H 1 1.12 . . . . . . . . . . . 4828 1 854 . 1 1 81 81 LEU HB3 H 1 2.16 . . . . . . . . . . . 4828 1 855 . 1 1 81 81 LEU CB C 13 41.34 . . . . . . . . . . . 4828 1 856 . 1 1 81 81 LEU HG H 1 1.60 . . . . . . . . . . . 4828 1 857 . 1 1 81 81 LEU HD11 H 1 0.8 . . . . . . . . . . . 4828 1 858 . 1 1 81 81 LEU HD12 H 1 0.8 . . . . . . . . . . . 4828 1 859 . 1 1 81 81 LEU HD13 H 1 0.8 . . . . . . . . . . . 4828 1 860 . 1 1 81 81 LEU HD21 H 1 1.16 . . . . . . . . . . . 4828 1 861 . 1 1 81 81 LEU HD22 H 1 1.16 . . . . . . . . . . . 4828 1 862 . 1 1 81 81 LEU HD23 H 1 1.16 . . . . . . . . . . . 4828 1 863 . 1 1 82 82 THR H H 1 8.89 . . . . . . . . . . . 4828 1 864 . 1 1 82 82 THR N N 15 123.25 . . . . . . . . . . . 4828 1 865 . 1 1 82 82 THR C C 13 174.45 . . . . . . . . . . . 4828 1 866 . 1 1 82 82 THR HA H 1 4.53 . . . . . . . . . . . 4828 1 867 . 1 1 82 82 THR CA C 13 60.37 . . . . . . . . . . . 4828 1 868 . 1 1 82 82 THR HB H 1 4.26 . . . . . . . . . . . 4828 1 869 . 1 1 82 82 THR CB C 13 67.22 . . . . . . . . . . . 4828 1 870 . 1 1 82 82 THR HG21 H 1 1.18 . . . . . . . . . . . 4828 1 871 . 1 1 82 82 THR HG22 H 1 1.18 . . . . . . . . . . . 4828 1 872 . 1 1 82 82 THR HG23 H 1 1.18 . . . . . . . . . . . 4828 1 873 . 1 1 83 83 GLY H H 1 8.06 . . . . . . . . . . . 4828 1 874 . 1 1 83 83 GLY N N 15 110.06 . . . . . . . . . . . 4828 1 875 . 1 1 83 83 GLY C C 13 168.91 . . . . . . . . . . . 4828 1 876 . 1 1 83 83 GLY HA2 H 1 4.11 . . . . . . . . . . . 4828 1 877 . 1 1 83 83 GLY HA3 H 1 4.44 . . . . . . . . . . . 4828 1 878 . 1 1 83 83 GLY CA C 13 44.49 . . . . . . . . . . . 4828 1 879 . 1 1 84 84 TYR H H 1 8.22 . . . . . . . . . . . 4828 1 880 . 1 1 84 84 TYR N N 15 116.86 . . . . . . . . . . . 4828 1 881 . 1 1 84 84 TYR C C 13 171.24 . . . . . . . . . . . 4828 1 882 . 1 1 84 84 TYR HA H 1 5.65 . . . . . . . . . . . 4828 1 883 . 1 1 84 84 TYR CA C 13 55.56 . . . . . . . . . . . 4828 1 884 . 1 1 84 84 TYR HB2 H 1 2.67 . . . . . . . . . . . 4828 1 885 . 1 1 84 84 TYR HB3 H 1 3.32 . . . . . . . . . . . 4828 1 886 . 1 1 84 84 TYR CB C 13 38.97 . . . . . . . . . . . 4828 1 887 . 1 1 84 84 TYR HD1 H 1 6.56 . . . . . . . . . . . 4828 1 888 . 1 1 84 84 TYR HD2 H 1 6.56 . . . . . . . . . . . 4828 1 889 . 1 1 84 84 TYR HE1 H 1 6.59 . . . . . . . . . . . 4828 1 890 . 1 1 84 84 TYR HE2 H 1 6.59 . . . . . . . . . . . 4828 1 891 . 1 1 85 85 GLN H H 1 9.16 . . . . . . . . . . . 4828 1 892 . 1 1 85 85 GLN N N 15 119.35 . . . . . . . . . . . 4828 1 893 . 1 1 85 85 GLN C C 13 174.44 . . . . . . . . . . . 4828 1 894 . 1 1 85 85 GLN HA H 1 4.54 . . . . . . . . . . . 4828 1 895 . 1 1 85 85 GLN CA C 13 52.73 . . . . . . . . . . . 4828 1 896 . 1 1 85 85 GLN HB2 H 1 1.57 . . . . . . . . . . . 4828 1 897 . 1 1 85 85 GLN HB3 H 1 1.68 . . . . . . . . . . . 4828 1 898 . 1 1 85 85 GLN CB C 13 31.04 . . . . . . . . . . . 4828 1 899 . 1 1 85 85 GLN NE2 N 15 113.23 . . . . . . . . . . . 4828 1 900 . 1 1 85 85 GLN HE21 H 1 6.47 . . . . . . . . . . . 4828 1 901 . 1 1 85 85 GLN HE22 H 1 6.78 . . . . . . . . . . . 4828 1 902 . 1 1 86 86 VAL H H 1 8.21 . . . . . . . . . . . 4828 1 903 . 1 1 86 86 VAL N N 15 116.46 . . . . . . . . . . . 4828 1 904 . 1 1 86 86 VAL C C 13 172.87 . . . . . . . . . . . 4828 1 905 . 1 1 86 86 VAL HA H 1 4.69 . . . . . . . . . . . 4828 1 906 . 1 1 86 86 VAL CA C 13 58.20 . . . . . . . . . . . 4828 1 907 . 1 1 86 86 VAL HB H 1 2.37 . . . . . . . . . . . 4828 1 908 . 1 1 86 86 VAL CB C 13 31.66 . . . . . . . . . . . 4828 1 909 . 1 1 86 86 VAL HG11 H 1 0.92 . . . . . . . . . . . 4828 1 910 . 1 1 86 86 VAL HG12 H 1 0.92 . . . . . . . . . . . 4828 1 911 . 1 1 86 86 VAL HG13 H 1 0.92 . . . . . . . . . . . 4828 1 912 . 1 1 86 86 VAL HG21 H 1 1.09 . . . . . . . . . . . 4828 1 913 . 1 1 86 86 VAL HG22 H 1 1.09 . . . . . . . . . . . 4828 1 914 . 1 1 86 86 VAL HG23 H 1 1.09 . . . . . . . . . . . 4828 1 915 . 1 1 87 87 ASP H H 1 8.62 . . . . . . . . . . . 4828 1 916 . 1 1 87 87 ASP N N 15 118.08 . . . . . . . . . . . 4828 1 917 . 1 1 87 87 ASP C C 13 173.98 . . . . . . . . . . . 4828 1 918 . 1 1 87 87 ASP HA H 1 4.50 . . . . . . . . . . . 4828 1 919 . 1 1 87 87 ASP CA C 13 53.54 . . . . . . . . . . . 4828 1 920 . 1 1 87 87 ASP HB2 H 1 2.70 . . . . . . . . . . . 4828 1 921 . 1 1 87 87 ASP HB3 H 1 2.94 . . . . . . . . . . . 4828 1 922 . 1 1 87 87 ASP CB C 13 36.86 . . . . . . . . . . . 4828 1 923 . 1 1 88 88 LYS H H 1 7.47 . . . . . . . . . . . 4828 1 924 . 1 1 88 88 LYS N N 15 116.29 . . . . . . . . . . . 4828 1 925 . 1 1 88 88 LYS C C 13 174.20 . . . . . . . . . . . 4828 1 926 . 1 1 88 88 LYS HA H 1 4.43 . . . . . . . . . . . 4828 1 927 . 1 1 88 88 LYS CA C 13 50.60 . . . . . . . . . . . 4828 1 928 . 1 1 88 88 LYS HB2 H 1 1.02 . . . . . . . . . . . 4828 1 929 . 1 1 88 88 LYS HB3 H 1 1.31 . . . . . . . . . . . 4828 1 930 . 1 1 88 88 LYS CB C 13 29.66 . . . . . . . . . . . 4828 1 931 . 1 1 88 88 LYS HD3 H 1 0.88 . . . . . . . . . . . 4828 1 932 . 1 1 88 88 LYS HD2 H 1 1.26 . . . . . . . . . . . 4828 1 933 . 1 1 88 88 LYS HE2 H 1 2.23 . . . . . . . . . . . 4828 1 934 . 1 1 88 88 LYS HE3 H 1 2.23 . . . . . . . . . . . 4828 1 935 . 1 1 89 89 ASN H H 1 8.84 . . . . . . . . . . . 4828 1 936 . 1 1 89 89 ASN N N 15 120.67 . . . . . . . . . . . 4828 1 937 . 1 1 89 89 ASN C C 13 175.08 . . . . . . . . . . . 4828 1 938 . 1 1 89 89 ASN HA H 1 4.96 . . . . . . . . . . . 4828 1 939 . 1 1 89 89 ASN CA C 13 49.90 . . . . . . . . . . . 4828 1 940 . 1 1 89 89 ASN HB2 H 1 2.71 . . . . . . . . . . . 4828 1 941 . 1 1 89 89 ASN CB C 13 39.30 . . . . . . . . . . . 4828 1 942 . 1 1 89 89 ASN ND2 N 15 116.52 . . . . . . . . . . . 4828 1 943 . 1 1 89 89 ASN HD21 H 1 6.81 . . . . . . . . . . . 4828 1 944 . 1 1 89 89 ASN HD22 H 1 7.73 . . . . . . . . . . . 4828 1 945 . 1 1 90 90 LYS H H 1 8.64 . . . . . . . . . . . 4828 1 946 . 1 1 90 90 LYS N N 15 125.30 . . . . . . . . . . . 4828 1 947 . 1 1 90 90 LYS C C 13 175.17 . . . . . . . . . . . 4828 1 948 . 1 1 90 90 LYS CA C 13 58.54 . . . . . . . . . . . 4828 1 949 . 1 1 90 90 LYS HB2 H 1 1.46 . . . . . . . . . . . 4828 1 950 . 1 1 90 90 LYS HB3 H 1 2.21 . . . . . . . . . . . 4828 1 951 . 1 1 90 90 LYS CB C 13 31.09 . . . . . . . . . . . 4828 1 952 . 1 1 91 91 ASP H H 1 7.96 . . . . . . . . . . . 4828 1 953 . 1 1 91 91 ASP N N 15 115.04 . . . . . . . . . . . 4828 1 954 . 1 1 91 91 ASP C C 13 175.02 . . . . . . . . . . . 4828 1 955 . 1 1 91 91 ASP HA H 1 4.54 . . . . . . . . . . . 4828 1 956 . 1 1 91 91 ASP CA C 13 52.47 . . . . . . . . . . . 4828 1 957 . 1 1 91 91 ASP HB2 H 1 2.43 . . . . . . . . . . . 4828 1 958 . 1 1 91 91 ASP HB3 H 1 2.73 . . . . . . . . . . . 4828 1 959 . 1 1 91 91 ASP CB C 13 39.29 . . . . . . . . . . . 4828 1 960 . 1 1 92 92 ASP H H 1 7.06 . . . . . . . . . . . 4828 1 961 . 1 1 92 92 ASP N N 15 121.23 . . . . . . . . . . . 4828 1 962 . 1 1 92 92 ASP C C 13 176.21 . . . . . . . . . . . 4828 1 963 . 1 1 92 92 ASP HA H 1 4.45 . . . . . . . . . . . 4828 1 964 . 1 1 92 92 ASP CA C 13 53.88 . . . . . . . . . . . 4828 1 965 . 1 1 92 92 ASP HB2 H 1 2.39 . . . . . . . . . . . 4828 1 966 . 1 1 92 92 ASP HB3 H 1 2.70 . . . . . . . . . . . 4828 1 967 . 1 1 92 92 ASP CB C 13 39.29 . . . . . . . . . . . 4828 1 968 . 1 1 93 93 GLU H H 1 8.93 . . . . . . . . . . . 4828 1 969 . 1 1 93 93 GLU N N 15 127.10 . . . . . . . . . . . 4828 1 970 . 1 1 93 93 GLU C C 13 175.48 . . . . . . . . . . . 4828 1 971 . 1 1 93 93 GLU HA H 1 4.07 . . . . . . . . . . . 4828 1 972 . 1 1 93 93 GLU CA C 13 54.75 . . . . . . . . . . . 4828 1 973 . 1 1 93 93 GLU HB2 H 1 1.81 . . . . . . . . . . . 4828 1 974 . 1 1 93 93 GLU HB3 H 1 1.94 . . . . . . . . . . . 4828 1 975 . 1 1 93 93 GLU CB C 13 28.86 . . . . . . . . . . . 4828 1 976 . 1 1 93 93 GLU HG2 H 1 2.20 . . . . . . . . . . . 4828 1 977 . 1 1 93 93 GLU HG3 H 1 2.20 . . . . . . . . . . . 4828 1 978 . 1 1 94 94 LEU H H 1 9.04 . . . . . . . . . . . 4828 1 979 . 1 1 94 94 LEU N N 15 127.60 . . . . . . . . . . . 4828 1 980 . 1 1 94 94 LEU C C 13 172.99 . . . . . . . . . . . 4828 1 981 . 1 1 94 94 LEU HA H 1 4.17 . . . . . . . . . . . 4828 1 982 . 1 1 94 94 LEU CA C 13 53.09 . . . . . . . . . . . 4828 1 983 . 1 1 94 94 LEU HB2 H 1 1.07 . . . . . . . . . . . 4828 1 984 . 1 1 94 94 LEU HB3 H 1 1.34 . . . . . . . . . . . 4828 1 985 . 1 1 94 94 LEU CB C 13 41.06 . . . . . . . . . . . 4828 1 986 . 1 1 94 94 LEU HG H 1 1.16 . . . . . . . . . . . 4828 1 987 . 1 1 94 94 LEU HD11 H 1 0.32 . . . . . . . . . . . 4828 1 988 . 1 1 94 94 LEU HD12 H 1 0.32 . . . . . . . . . . . 4828 1 989 . 1 1 94 94 LEU HD13 H 1 0.32 . . . . . . . . . . . 4828 1 990 . 1 1 94 94 LEU HD21 H 1 0.66 . . . . . . . . . . . 4828 1 991 . 1 1 94 94 LEU HD22 H 1 0.66 . . . . . . . . . . . 4828 1 992 . 1 1 94 94 LEU HD23 H 1 0.66 . . . . . . . . . . . 4828 1 993 . 1 1 95 95 THR H H 1 7.74 . . . . . . . . . . . 4828 1 994 . 1 1 95 95 THR N N 15 119.04 . . . . . . . . . . . 4828 1 995 . 1 1 95 95 THR C C 13 171.96 . . . . . . . . . . . 4828 1 996 . 1 1 95 95 THR HA H 1 4.32 . . . . . . . . . . . 4828 1 997 . 1 1 95 95 THR CA C 13 57.96 . . . . . . . . . . . 4828 1 998 . 1 1 95 95 THR HB H 1 4.16 . . . . . . . . . . . 4828 1 999 . 1 1 95 95 THR CB C 13 69.42 . . . . . . . . . . . 4828 1 1000 . 1 1 95 95 THR HG21 H 1 1.07 . . . . . . . . . . . 4828 1 1001 . 1 1 95 95 THR HG22 H 1 1.07 . . . . . . . . . . . 4828 1 1002 . 1 1 95 95 THR HG23 H 1 1.07 . . . . . . . . . . . 4828 1 1003 . 1 1 96 96 GLY H H 1 8.15 . . . . . . . . . . . 4828 1 1004 . 1 1 96 96 GLY N N 15 108.13 . . . . . . . . . . . 4828 1 1005 . 1 1 96 96 GLY C C 13 172.00 . . . . . . . . . . . 4828 1 1006 . 1 1 96 96 GLY HA2 H 1 3.24 . . . . . . . . . . . 4828 1 1007 . 1 1 96 96 GLY HA3 H 1 3.24 . . . . . . . . . . . 4828 1 1008 . 1 1 96 96 GLY CA C 13 44.2 . . . . . . . . . . . 4828 1 1009 . 1 1 97 97 PHE H H 1 7.22 . . . . . . . . . . . 4828 1 1010 . 1 1 97 97 PHE N N 15 125.78 . . . . . . . . . . . 4828 1 1011 . 1 1 97 97 PHE HA H 1 4.35 . . . . . . . . . . . 4828 1 1012 . 1 1 97 97 PHE CA C 13 56.67 . . . . . . . . . . . 4828 1 1013 . 1 1 97 97 PHE HB2 H 1 2.96 . . . . . . . . . . . 4828 1 1014 . 1 1 97 97 PHE HB3 H 1 3.10 . . . . . . . . . . . 4828 1 1015 . 1 1 97 97 PHE CB C 13 37.21 . . . . . . . . . . . 4828 1 1016 . 1 1 97 97 PHE HD1 H 1 7.27 . . . . . . . . . . . 4828 1 1017 . 1 1 97 97 PHE HD2 H 1 7.27 . . . . . . . . . . . 4828 1 1018 . 1 1 97 97 PHE HE1 H 1 7.07 . . . . . . . . . . . 4828 1 1019 . 1 1 97 97 PHE HE2 H 1 7.07 . . . . . . . . . . . 4828 1 1020 . 1 1 97 97 PHE HZ H 1 6.79 . . . . . . . . . . . 4828 1 stop_ save_