data_5285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5285 _Entry.Title ; 1H and 15N Chemical Shift Assignments for Human T54 I-FABP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-08 _Entry.Accession_date 2002-02-08 _Entry.Last_release_date 2003-06-25 _Entry.Original_release_date 2003-06-25 _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 Fengli Zhang . . . 5285 2 Christian Luecke . . . 5285 3 Leslie Baier . J. . 5285 4 James Sacchettini . C. . 5285 5 James Hamilton . A. . 5285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 952 5285 '15N chemical shifts' 146 5285 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 . . 2003-06-25 2002-02-08 original author . 5285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5284 'Chemical Shift Assignments for A54 I-FABP, identical to Swiss-Prot entry P12104.' 5285 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5285 _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 ; Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 24 _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 7339 _Citation.Page_last 7347 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fengli Zhang . . . 5285 1 2 Christian Luecke . . . 5285 1 3 Leslie Baier . J. . 5285 1 4 James Sacchettini . C. . 5285 1 5 James Hamilton . A. . 5285 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'fatty acid binding' 5285 1 'type 2 diabetes' 5285 1 'single base polymorphism' 5285 1 holo-form 5285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_I-FABP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_I-FABP _Assembly.Entry_ID 5285 _Assembly.ID 1 _Assembly.Name 'T54 I-FABP' _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 ; The sequence is identical to Swiss-Prot entry P12104, except that residue 54 is mutated from alanine to threonine due to a nucleotide polymorphism at codon 54. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5285 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 'T54 I-FABP' 1 $I-FABP . . . native . . . . . 5285 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . Swiss-Prot P12104 . . . . . . 5285 1 . PDB 1KZX . . . . . . 5285 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'T54 I-FABP' system 5285 1 I-FABP abbreviation 5285 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'fatty acid carrier' 5285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_I-FABP _Entity.Sf_category entity _Entity.Sf_framecode I-FABP _Entity.Entry_ID 5285 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'intestinal fatty acid binding protein' _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 ; AFDSTWKVDRSENYDKFMEK MGVNIVKRKLAAHDNLKLTI TQEGNKFTVKESSTFRNIEV VFELGVTFNYNLADGTELRG TWSLEGNKLIGKFKRTDNGN ELNTVREIIGDELVQTYVYE GVEAKRIFKKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 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 19727 . HIFABP . . . . . 100.00 131 99.24 99.24 8.37e-87 . . . . 5285 1 2 no BMRB 5284 . I-FABP . . . . . 100.00 131 99.24 99.24 8.37e-87 . . . . 5285 1 3 no PDB 1KZW . "Solution Structure Of Human Intestinal Fatty Acid Binding Protein" . . . . . 99.24 131 99.23 99.23 5.35e-86 . . . . 5285 1 4 no PDB 1KZX . "Solution Structure Of Human Intestinal Fatty Acid Binding Protein With A Naturally-Occurring Single Amino Acid Substitution (A5" . . . . . 100.00 131 100.00 100.00 2.36e-87 . . . . 5285 1 5 no PDB 2MJI . Hifabp_ketorolac_complex . . . . . 100.00 131 99.24 99.24 8.37e-87 . . . . 5285 1 6 no PDB 3AKM . "X-Ray Structure Of Ifabp From Human And Rat With Bound Fluorescent Fatty Acid Analogue" . . . . . 100.00 131 99.24 99.24 8.37e-87 . . . . 5285 1 7 no PDB 3IFB . "Nmr Study Of Human Intestinal Fatty Acid Binding Protein" . . . . . 100.00 131 99.24 99.24 8.37e-87 . . . . 5285 1 8 no GB AAA52417 . "fatty acid binding protein [Homo sapiens]" . . . . . 100.00 132 99.24 99.24 8.10e-87 . . . . 5285 1 9 no GB AAH69466 . "Fatty acid binding protein 2, intestinal [Homo sapiens]" . . . . . 100.00 132 99.24 99.24 8.10e-87 . . . . 5285 1 10 no GB AAH69617 . "FABP2 protein [Homo sapiens]" . . . . . 100.00 132 99.24 99.24 8.10e-87 . . . . 5285 1 11 no GB AAH69625 . "Fatty acid binding protein 2, intestinal [Homo sapiens]" . . . . . 100.00 132 99.24 99.24 8.10e-87 . . . . 5285 1 12 no GB AAH69637 . "Fatty acid binding protein 2, intestinal [Homo sapiens]" . . . . . 100.00 132 99.24 99.24 8.10e-87 . . . . 5285 1 13 no REF NP_000125 . "fatty acid-binding protein, intestinal [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 2.02e-87 . . . . 5285 1 14 no REF XP_001149448 . "PREDICTED: fatty acid-binding protein, intestinal [Pan troglodytes]" . . . . . 100.00 132 96.95 98.47 1.30e-85 . . . . 5285 1 15 no REF XP_002815138 . "PREDICTED: fatty acid-binding protein, intestinal [Pongo abelii]" . . . . . 100.00 132 97.71 97.71 4.96e-85 . . . . 5285 1 16 no REF XP_003830103 . "PREDICTED: fatty acid-binding protein, intestinal [Pan paniscus]" . . . . . 100.00 132 96.95 98.47 1.30e-85 . . . . 5285 1 17 no REF XP_004040374 . "PREDICTED: fatty acid-binding protein, intestinal [Gorilla gorilla gorilla]" . . . . . 100.00 132 98.47 98.47 4.75e-86 . . . . 5285 1 18 no SP P12104 . "RecName: Full=Fatty acid-binding protein, intestinal; AltName: Full=Fatty acid-binding protein 2; AltName: Full=Intestinal-type" . . . . . 100.00 132 99.24 99.24 8.10e-87 . . . . 5285 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'intestinal fatty acid binding protein' common 5285 1 A54T variant 5285 1 I-FABP abbreviation 5285 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 . ALA . 5285 1 2 . PHE . 5285 1 3 . ASP . 5285 1 4 . SER . 5285 1 5 . THR . 5285 1 6 . TRP . 5285 1 7 . LYS . 5285 1 8 . VAL . 5285 1 9 . ASP . 5285 1 10 . ARG . 5285 1 11 . SER . 5285 1 12 . GLU . 5285 1 13 . ASN . 5285 1 14 . TYR . 5285 1 15 . ASP . 5285 1 16 . LYS . 5285 1 17 . PHE . 5285 1 18 . MET . 5285 1 19 . GLU . 5285 1 20 . LYS . 5285 1 21 . MET . 5285 1 22 . GLY . 5285 1 23 . VAL . 5285 1 24 . ASN . 5285 1 25 . ILE . 5285 1 26 . VAL . 5285 1 27 . LYS . 5285 1 28 . ARG . 5285 1 29 . LYS . 5285 1 30 . LEU . 5285 1 31 . ALA . 5285 1 32 . ALA . 5285 1 33 . HIS . 5285 1 34 . ASP . 5285 1 35 . ASN . 5285 1 36 . LEU . 5285 1 37 . LYS . 5285 1 38 . LEU . 5285 1 39 . THR . 5285 1 40 . ILE . 5285 1 41 . THR . 5285 1 42 . GLN . 5285 1 43 . GLU . 5285 1 44 . GLY . 5285 1 45 . ASN . 5285 1 46 . LYS . 5285 1 47 . PHE . 5285 1 48 . THR . 5285 1 49 . VAL . 5285 1 50 . LYS . 5285 1 51 . GLU . 5285 1 52 . SER . 5285 1 53 . SER . 5285 1 54 . THR . 5285 1 55 . PHE . 5285 1 56 . ARG . 5285 1 57 . ASN . 5285 1 58 . ILE . 5285 1 59 . GLU . 5285 1 60 . VAL . 5285 1 61 . VAL . 5285 1 62 . PHE . 5285 1 63 . GLU . 5285 1 64 . LEU . 5285 1 65 . GLY . 5285 1 66 . VAL . 5285 1 67 . THR . 5285 1 68 . PHE . 5285 1 69 . ASN . 5285 1 70 . TYR . 5285 1 71 . ASN . 5285 1 72 . LEU . 5285 1 73 . ALA . 5285 1 74 . ASP . 5285 1 75 . GLY . 5285 1 76 . THR . 5285 1 77 . GLU . 5285 1 78 . LEU . 5285 1 79 . ARG . 5285 1 80 . GLY . 5285 1 81 . THR . 5285 1 82 . TRP . 5285 1 83 . SER . 5285 1 84 . LEU . 5285 1 85 . GLU . 5285 1 86 . GLY . 5285 1 87 . ASN . 5285 1 88 . LYS . 5285 1 89 . LEU . 5285 1 90 . ILE . 5285 1 91 . GLY . 5285 1 92 . LYS . 5285 1 93 . PHE . 5285 1 94 . LYS . 5285 1 95 . ARG . 5285 1 96 . THR . 5285 1 97 . ASP . 5285 1 98 . ASN . 5285 1 99 . GLY . 5285 1 100 . ASN . 5285 1 101 . GLU . 5285 1 102 . LEU . 5285 1 103 . ASN . 5285 1 104 . THR . 5285 1 105 . VAL . 5285 1 106 . ARG . 5285 1 107 . GLU . 5285 1 108 . ILE . 5285 1 109 . ILE . 5285 1 110 . GLY . 5285 1 111 . ASP . 5285 1 112 . GLU . 5285 1 113 . LEU . 5285 1 114 . VAL . 5285 1 115 . GLN . 5285 1 116 . THR . 5285 1 117 . TYR . 5285 1 118 . VAL . 5285 1 119 . TYR . 5285 1 120 . GLU . 5285 1 121 . GLY . 5285 1 122 . VAL . 5285 1 123 . GLU . 5285 1 124 . ALA . 5285 1 125 . LYS . 5285 1 126 . ARG . 5285 1 127 . ILE . 5285 1 128 . PHE . 5285 1 129 . LYS . 5285 1 130 . LYS . 5285 1 131 . ASP . 5285 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 . ALA 1 1 5285 1 . PHE 2 2 5285 1 . ASP 3 3 5285 1 . SER 4 4 5285 1 . THR 5 5 5285 1 . TRP 6 6 5285 1 . LYS 7 7 5285 1 . VAL 8 8 5285 1 . ASP 9 9 5285 1 . ARG 10 10 5285 1 . SER 11 11 5285 1 . GLU 12 12 5285 1 . ASN 13 13 5285 1 . TYR 14 14 5285 1 . ASP 15 15 5285 1 . LYS 16 16 5285 1 . PHE 17 17 5285 1 . MET 18 18 5285 1 . GLU 19 19 5285 1 . LYS 20 20 5285 1 . MET 21 21 5285 1 . GLY 22 22 5285 1 . VAL 23 23 5285 1 . ASN 24 24 5285 1 . ILE 25 25 5285 1 . VAL 26 26 5285 1 . LYS 27 27 5285 1 . ARG 28 28 5285 1 . LYS 29 29 5285 1 . LEU 30 30 5285 1 . ALA 31 31 5285 1 . ALA 32 32 5285 1 . HIS 33 33 5285 1 . ASP 34 34 5285 1 . ASN 35 35 5285 1 . LEU 36 36 5285 1 . LYS 37 37 5285 1 . LEU 38 38 5285 1 . THR 39 39 5285 1 . ILE 40 40 5285 1 . THR 41 41 5285 1 . GLN 42 42 5285 1 . GLU 43 43 5285 1 . GLY 44 44 5285 1 . ASN 45 45 5285 1 . LYS 46 46 5285 1 . PHE 47 47 5285 1 . THR 48 48 5285 1 . VAL 49 49 5285 1 . LYS 50 50 5285 1 . GLU 51 51 5285 1 . SER 52 52 5285 1 . SER 53 53 5285 1 . THR 54 54 5285 1 . PHE 55 55 5285 1 . ARG 56 56 5285 1 . ASN 57 57 5285 1 . ILE 58 58 5285 1 . GLU 59 59 5285 1 . VAL 60 60 5285 1 . VAL 61 61 5285 1 . PHE 62 62 5285 1 . GLU 63 63 5285 1 . LEU 64 64 5285 1 . GLY 65 65 5285 1 . VAL 66 66 5285 1 . THR 67 67 5285 1 . PHE 68 68 5285 1 . ASN 69 69 5285 1 . TYR 70 70 5285 1 . ASN 71 71 5285 1 . LEU 72 72 5285 1 . ALA 73 73 5285 1 . ASP 74 74 5285 1 . GLY 75 75 5285 1 . THR 76 76 5285 1 . GLU 77 77 5285 1 . LEU 78 78 5285 1 . ARG 79 79 5285 1 . GLY 80 80 5285 1 . THR 81 81 5285 1 . TRP 82 82 5285 1 . SER 83 83 5285 1 . LEU 84 84 5285 1 . GLU 85 85 5285 1 . GLY 86 86 5285 1 . ASN 87 87 5285 1 . LYS 88 88 5285 1 . LEU 89 89 5285 1 . ILE 90 90 5285 1 . GLY 91 91 5285 1 . LYS 92 92 5285 1 . PHE 93 93 5285 1 . LYS 94 94 5285 1 . ARG 95 95 5285 1 . THR 96 96 5285 1 . ASP 97 97 5285 1 . ASN 98 98 5285 1 . GLY 99 99 5285 1 . ASN 100 100 5285 1 . GLU 101 101 5285 1 . LEU 102 102 5285 1 . ASN 103 103 5285 1 . THR 104 104 5285 1 . VAL 105 105 5285 1 . ARG 106 106 5285 1 . GLU 107 107 5285 1 . ILE 108 108 5285 1 . ILE 109 109 5285 1 . GLY 110 110 5285 1 . ASP 111 111 5285 1 . GLU 112 112 5285 1 . LEU 113 113 5285 1 . VAL 114 114 5285 1 . GLN 115 115 5285 1 . THR 116 116 5285 1 . TYR 117 117 5285 1 . VAL 118 118 5285 1 . TYR 119 119 5285 1 . GLU 120 120 5285 1 . GLY 121 121 5285 1 . VAL 122 122 5285 1 . GLU 123 123 5285 1 . ALA 124 124 5285 1 . LYS 125 125 5285 1 . ARG 126 126 5285 1 . ILE 127 127 5285 1 . PHE 128 128 5285 1 . LYS 129 129 5285 1 . LYS 130 130 5285 1 . ASP 131 131 5285 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 5285 _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 $I-FABP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . 'T54 variant' . . . . . . . . . . . . . . FABP2 . 'Codon-54 polymorphism.' . . 5285 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 5285 _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 $I-FABP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . pET-3d . . . . . . 5285 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5285 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Contains a mixture of endogenous fatty acids that are bound to the protein.' _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 'intestinal fatty acid binding protein' . . . 1 $I-FABP . . 3 . . mM . . . . 5285 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5285 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Contains a mixture of endogenous fatty acids that are bound to the protein.' _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 'intestinal fatty acid binding protein' [U-15N] . . 1 $I-FABP . . 3 . . mM . . . . 5285 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5285 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5285 1 temperature 310 0.1 K 5285 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5285 _Software.ID 1 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5285 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5285 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5285 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 500 . . . 5285 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 5285 _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-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5285 1 2 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5285 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5285 1 4 '1H-15N HTQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5285 1 5 '3D 1H-15N TOCSY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5285 1 6 '3D 1H-15N NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5285 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5285 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5285 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5285 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5285 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N HTQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5285 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-15N TOCSY-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5285 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-15N NOESY-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5285 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 external cylindrical parallel . . . . . . 5285 1 N 15 'ammonium chloride' 'amino nitrogen' . . . . ppm 24.93 external direct 1.0 external cylindrical parallel . . . . . . 5285 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_1 _Assigned_chem_shift_list.Entry_ID 5285 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5285 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 PHE HA H 1 4.39 0.01 . 1 . . . . . . . . 5285 1 2 . 1 1 2 2 PHE HB2 H 1 2.95 0.01 . 1 . . . . . . . . 5285 1 3 . 1 1 2 2 PHE HB3 H 1 3.12 0.01 . 1 . . . . . . . . 5285 1 4 . 1 1 2 2 PHE HD1 H 1 6.99 0.01 . 1 . . . . . . . . 5285 1 5 . 1 1 2 2 PHE HD2 H 1 6.99 0.01 . 1 . . . . . . . . 5285 1 6 . 1 1 2 2 PHE HE1 H 1 6.87 0.01 . 1 . . . . . . . . 5285 1 7 . 1 1 2 2 PHE HE2 H 1 6.87 0.01 . 1 . . . . . . . . 5285 1 8 . 1 1 2 2 PHE HZ H 1 7.21 0.01 . 1 . . . . . . . . 5285 1 9 . 1 1 3 3 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 5285 1 10 . 1 1 3 3 ASP HA H 1 4.79 0.01 . 1 . . . . . . . . 5285 1 11 . 1 1 3 3 ASP HB2 H 1 2.61 0.01 . 1 . . . . . . . . 5285 1 12 . 1 1 3 3 ASP HB3 H 1 2.49 0.01 . 1 . . . . . . . . 5285 1 13 . 1 1 3 3 ASP N N 15 120.9 0.1 . 1 . . . . . . . . 5285 1 14 . 1 1 4 4 SER H H 1 8.20 0.01 . 1 . . . . . . . . 5285 1 15 . 1 1 4 4 SER HA H 1 4.20 0.01 . 1 . . . . . . . . 5285 1 16 . 1 1 4 4 SER HB2 H 1 2.55 0.01 . 1 . . . . . . . . 5285 1 17 . 1 1 4 4 SER HB3 H 1 3.24 0.01 . 1 . . . . . . . . 5285 1 18 . 1 1 4 4 SER N N 15 123.3 0.1 . 1 . . . . . . . . 5285 1 19 . 1 1 5 5 THR H H 1 8.05 0.01 . 1 . . . . . . . . 5285 1 20 . 1 1 5 5 THR HA H 1 5.10 0.01 . 1 . . . . . . . . 5285 1 21 . 1 1 5 5 THR HB H 1 3.92 0.01 . 1 . . . . . . . . 5285 1 22 . 1 1 5 5 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 5285 1 23 . 1 1 5 5 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 5285 1 24 . 1 1 5 5 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 5285 1 25 . 1 1 5 5 THR N N 15 120.0 0.1 . 1 . . . . . . . . 5285 1 26 . 1 1 6 6 TRP H H 1 9.41 0.01 . 1 . . . . . . . . 5285 1 27 . 1 1 6 6 TRP HA H 1 5.22 0.01 . 1 . . . . . . . . 5285 1 28 . 1 1 6 6 TRP HB2 H 1 2.86 0.01 . 1 . . . . . . . . 5285 1 29 . 1 1 6 6 TRP HB3 H 1 3.08 0.01 . 1 . . . . . . . . 5285 1 30 . 1 1 6 6 TRP HD1 H 1 6.78 0.01 . 1 . . . . . . . . 5285 1 31 . 1 1 6 6 TRP HE1 H 1 9.83 0.01 . 1 . . . . . . . . 5285 1 32 . 1 1 6 6 TRP HE3 H 1 7.10 0.01 . 1 . . . . . . . . 5285 1 33 . 1 1 6 6 TRP HZ2 H 1 7.23 0.01 . 1 . . . . . . . . 5285 1 34 . 1 1 6 6 TRP HZ3 H 1 7.20 0.01 . 1 . . . . . . . . 5285 1 35 . 1 1 6 6 TRP HH2 H 1 6.86 0.01 . 1 . . . . . . . . 5285 1 36 . 1 1 6 6 TRP N N 15 131.9 0.1 . 1 . . . . . . . . 5285 1 37 . 1 1 6 6 TRP NE1 N 15 130.3 0.1 . 1 . . . . . . . . 5285 1 38 . 1 1 7 7 LYS H H 1 9.90 0.01 . 1 . . . . . . . . 5285 1 39 . 1 1 7 7 LYS HA H 1 5.43 0.01 . 1 . . . . . . . . 5285 1 40 . 1 1 7 7 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 41 . 1 1 7 7 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 42 . 1 1 7 7 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 5285 1 43 . 1 1 7 7 LYS HG3 H 1 1.45 0.01 . 1 . . . . . . . . 5285 1 44 . 1 1 7 7 LYS HD2 H 1 1.73 0.01 . 2 . . . . . . . . 5285 1 45 . 1 1 7 7 LYS HD3 H 1 1.63 0.01 . 2 . . . . . . . . 5285 1 46 . 1 1 7 7 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 47 . 1 1 7 7 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 48 . 1 1 7 7 LYS N N 15 126.7 0.1 . 1 . . . . . . . . 5285 1 49 . 1 1 8 8 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 5285 1 50 . 1 1 8 8 VAL HA H 1 3.29 0.01 . 1 . . . . . . . . 5285 1 51 . 1 1 8 8 VAL HB H 1 1.70 0.01 . 1 . . . . . . . . 5285 1 52 . 1 1 8 8 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 5285 1 53 . 1 1 8 8 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 5285 1 54 . 1 1 8 8 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 5285 1 55 . 1 1 8 8 VAL HG21 H 1 0.22 0.01 . 1 . . . . . . . . 5285 1 56 . 1 1 8 8 VAL HG22 H 1 0.22 0.01 . 1 . . . . . . . . 5285 1 57 . 1 1 8 8 VAL HG23 H 1 0.22 0.01 . 1 . . . . . . . . 5285 1 58 . 1 1 8 8 VAL N N 15 131.6 0.1 . 1 . . . . . . . . 5285 1 59 . 1 1 9 9 ASP H H 1 9.65 0.01 . 1 . . . . . . . . 5285 1 60 . 1 1 9 9 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 5285 1 61 . 1 1 9 9 ASP HB2 H 1 2.42 0.01 . 1 . . . . . . . . 5285 1 62 . 1 1 9 9 ASP HB3 H 1 2.52 0.01 . 1 . . . . . . . . 5285 1 63 . 1 1 9 9 ASP N N 15 131.3 0.1 . 1 . . . . . . . . 5285 1 64 . 1 1 10 10 ARG H H 1 7.75 0.01 . 1 . . . . . . . . 5285 1 65 . 1 1 10 10 ARG HA H 1 4.71 0.01 . 1 . . . . . . . . 5285 1 66 . 1 1 10 10 ARG HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 67 . 1 1 10 10 ARG HB3 H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 68 . 1 1 10 10 ARG HG2 H 1 1.29 0.01 . 1 . . . . . . . . 5285 1 69 . 1 1 10 10 ARG HG3 H 1 1.60 0.01 . 1 . . . . . . . . 5285 1 70 . 1 1 10 10 ARG HD2 H 1 3.14 0.01 . 1 . . . . . . . . 5285 1 71 . 1 1 10 10 ARG HD3 H 1 3.07 0.01 . 1 . . . . . . . . 5285 1 72 . 1 1 10 10 ARG HE H 1 7.20 0.01 . 1 . . . . . . . . 5285 1 73 . 1 1 10 10 ARG N N 15 116.3 0.1 . 1 . . . . . . . . 5285 1 74 . 1 1 10 10 ARG NE N 15 87.7 0.1 . 1 . . . . . . . . 5285 1 75 . 1 1 11 11 SER H H 1 8.50 0.01 . 1 . . . . . . . . 5285 1 76 . 1 1 11 11 SER HA H 1 5.25 0.01 . 1 . . . . . . . . 5285 1 77 . 1 1 11 11 SER HB2 H 1 3.67 0.01 . 1 . . . . . . . . 5285 1 78 . 1 1 11 11 SER HB3 H 1 3.73 0.01 . 1 . . . . . . . . 5285 1 79 . 1 1 11 11 SER N N 15 117.0 0.1 . 1 . . . . . . . . 5285 1 80 . 1 1 12 12 GLU H H 1 9.40 0.01 . 1 . . . . . . . . 5285 1 81 . 1 1 12 12 GLU HA H 1 4.71 0.01 . 1 . . . . . . . . 5285 1 82 . 1 1 12 12 GLU HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5285 1 83 . 1 1 12 12 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 5285 1 84 . 1 1 12 12 GLU HG2 H 1 2.14 0.01 . 1 . . . . . . . . 5285 1 85 . 1 1 12 12 GLU HG3 H 1 2.02 0.01 . 1 . . . . . . . . 5285 1 86 . 1 1 12 12 GLU N N 15 126.3 0.1 . 1 . . . . . . . . 5285 1 87 . 1 1 13 13 ASN H H 1 9.26 0.01 . 1 . . . . . . . . 5285 1 88 . 1 1 13 13 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 5285 1 89 . 1 1 13 13 ASN HB2 H 1 2.76 0.01 . 1 . . . . . . . . 5285 1 90 . 1 1 13 13 ASN HB3 H 1 3.77 0.01 . 1 . . . . . . . . 5285 1 91 . 1 1 13 13 ASN HD21 H 1 6.82 0.01 . 1 . . . . . . . . 5285 1 92 . 1 1 13 13 ASN HD22 H 1 8.04 0.01 . 1 . . . . . . . . 5285 1 93 . 1 1 13 13 ASN N N 15 125.4 0.1 . 1 . . . . . . . . 5285 1 94 . 1 1 13 13 ASN ND2 N 15 114.5 0.1 . 1 . . . . . . . . 5285 1 95 . 1 1 14 14 TYR H H 1 8.28 0.01 . 1 . . . . . . . . 5285 1 96 . 1 1 14 14 TYR HA H 1 4.39 0.01 . 1 . . . . . . . . 5285 1 97 . 1 1 14 14 TYR HB2 H 1 2.87 0.01 . 1 . . . . . . . . 5285 1 98 . 1 1 14 14 TYR HB3 H 1 3.15 0.01 . 1 . . . . . . . . 5285 1 99 . 1 1 14 14 TYR HD1 H 1 6.88 0.01 . 1 . . . . . . . . 5285 1 100 . 1 1 14 14 TYR HD2 H 1 6.88 0.01 . 1 . . . . . . . . 5285 1 101 . 1 1 14 14 TYR HE1 H 1 6.43 0.01 . 1 . . . . . . . . 5285 1 102 . 1 1 14 14 TYR HE2 H 1 6.43 0.01 . 1 . . . . . . . . 5285 1 103 . 1 1 14 14 TYR N N 15 123.2 0.1 . 1 . . . . . . . . 5285 1 104 . 1 1 15 15 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 5285 1 105 . 1 1 15 15 ASP HA H 1 4.07 0.01 . 1 . . . . . . . . 5285 1 106 . 1 1 15 15 ASP HB2 H 1 2.60 0.01 . 1 . . . . . . . . 5285 1 107 . 1 1 15 15 ASP HB3 H 1 2.60 0.01 . 1 . . . . . . . . 5285 1 108 . 1 1 15 15 ASP N N 15 121.8 0.1 . 1 . . . . . . . . 5285 1 109 . 1 1 16 16 LYS H H 1 7.93 0.01 . 1 . . . . . . . . 5285 1 110 . 1 1 16 16 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 5285 1 111 . 1 1 16 16 LYS HB2 H 1 1.69 0.01 . 1 . . . . . . . . 5285 1 112 . 1 1 16 16 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 113 . 1 1 16 16 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 5285 1 114 . 1 1 16 16 LYS HG3 H 1 1.55 0.01 . 1 . . . . . . . . 5285 1 115 . 1 1 16 16 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 116 . 1 1 16 16 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 117 . 1 1 16 16 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 5285 1 118 . 1 1 16 16 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 5285 1 119 . 1 1 16 16 LYS N N 15 123.0 0.1 . 1 . . . . . . . . 5285 1 120 . 1 1 17 17 PHE H H 1 7.69 0.01 . 1 . . . . . . . . 5285 1 121 . 1 1 17 17 PHE HA H 1 3.95 0.01 . 1 . . . . . . . . 5285 1 122 . 1 1 17 17 PHE HB2 H 1 3.08 0.01 . 1 . . . . . . . . 5285 1 123 . 1 1 17 17 PHE HB3 H 1 3.16 0.01 . 1 . . . . . . . . 5285 1 124 . 1 1 17 17 PHE HD1 H 1 6.91 0.01 . 1 . . . . . . . . 5285 1 125 . 1 1 17 17 PHE HD2 H 1 6.91 0.01 . 1 . . . . . . . . 5285 1 126 . 1 1 17 17 PHE HE1 H 1 6.96 0.01 . 1 . . . . . . . . 5285 1 127 . 1 1 17 17 PHE HE2 H 1 6.96 0.01 . 1 . . . . . . . . 5285 1 128 . 1 1 17 17 PHE HZ H 1 6.78 0.01 . 1 . . . . . . . . 5285 1 129 . 1 1 17 17 PHE N N 15 124.3 0.1 . 1 . . . . . . . . 5285 1 130 . 1 1 18 18 MET H H 1 8.14 0.01 . 1 . . . . . . . . 5285 1 131 . 1 1 18 18 MET HA H 1 3.21 0.01 . 1 . . . . . . . . 5285 1 132 . 1 1 18 18 MET HB2 H 1 2.09 0.01 . 1 . . . . . . . . 5285 1 133 . 1 1 18 18 MET HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5285 1 134 . 1 1 18 18 MET HG2 H 1 1.57 0.01 . 1 . . . . . . . . 5285 1 135 . 1 1 18 18 MET HG3 H 1 1.26 0.01 . 1 . . . . . . . . 5285 1 136 . 1 1 18 18 MET N N 15 121.4 0.1 . 1 . . . . . . . . 5285 1 137 . 1 1 19 19 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 5285 1 138 . 1 1 19 19 GLU HA H 1 3.75 0.01 . 1 . . . . . . . . 5285 1 139 . 1 1 19 19 GLU HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 140 . 1 1 19 19 GLU HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5285 1 141 . 1 1 19 19 GLU HG2 H 1 2.00 0.01 . 1 . . . . . . . . 5285 1 142 . 1 1 19 19 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 5285 1 143 . 1 1 19 19 GLU N N 15 123.6 0.1 . 1 . . . . . . . . 5285 1 144 . 1 1 20 20 LYS H H 1 8.00 0.01 . 1 . . . . . . . . 5285 1 145 . 1 1 20 20 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 5285 1 146 . 1 1 20 20 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5285 1 147 . 1 1 20 20 LYS HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5285 1 148 . 1 1 20 20 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5285 1 149 . 1 1 20 20 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5285 1 150 . 1 1 20 20 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 5285 1 151 . 1 1 20 20 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 5285 1 152 . 1 1 20 20 LYS HE2 H 1 3.13 0.01 . 1 . . . . . . . . 5285 1 153 . 1 1 20 20 LYS HE3 H 1 3.13 0.01 . 1 . . . . . . . . 5285 1 154 . 1 1 20 20 LYS N N 15 126.3 0.1 . 1 . . . . . . . . 5285 1 155 . 1 1 21 21 MET H H 1 7.44 0.01 . 1 . . . . . . . . 5285 1 156 . 1 1 21 21 MET HA H 1 3.63 0.01 . 1 . . . . . . . . 5285 1 157 . 1 1 21 21 MET HB2 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 158 . 1 1 21 21 MET HB3 H 1 1.50 0.01 . 1 . . . . . . . . 5285 1 159 . 1 1 21 21 MET HG2 H 1 1.10 0.01 . 1 . . . . . . . . 5285 1 160 . 1 1 21 21 MET HG3 H 1 1.24 0.01 . 1 . . . . . . . . 5285 1 161 . 1 1 21 21 MET N N 15 118.4 0.1 . 1 . . . . . . . . 5285 1 162 . 1 1 22 22 GLY H H 1 7.66 0.01 . 1 . . . . . . . . 5285 1 163 . 1 1 22 22 GLY HA2 H 1 3.61 0.01 . 1 . . . . . . . . 5285 1 164 . 1 1 22 22 GLY HA3 H 1 4.00 0.01 . 1 . . . . . . . . 5285 1 165 . 1 1 22 22 GLY N N 15 111.2 0.1 . 1 . . . . . . . . 5285 1 166 . 1 1 23 23 VAL H H 1 7.36 0.01 . 1 . . . . . . . . 5285 1 167 . 1 1 23 23 VAL HA H 1 3.66 0.01 . 1 . . . . . . . . 5285 1 168 . 1 1 23 23 VAL HB H 1 1.37 0.01 . 1 . . . . . . . . 5285 1 169 . 1 1 23 23 VAL HG11 H 1 0.62 0.01 . 1 . . . . . . . . 5285 1 170 . 1 1 23 23 VAL HG12 H 1 0.62 0.01 . 1 . . . . . . . . 5285 1 171 . 1 1 23 23 VAL HG13 H 1 0.62 0.01 . 1 . . . . . . . . 5285 1 172 . 1 1 23 23 VAL HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5285 1 173 . 1 1 23 23 VAL HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5285 1 174 . 1 1 23 23 VAL HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5285 1 175 . 1 1 23 23 VAL N N 15 124.5 0.1 . 1 . . . . . . . . 5285 1 176 . 1 1 24 24 ASN H H 1 8.77 0.01 . 1 . . . . . . . . 5285 1 177 . 1 1 24 24 ASN HA H 1 4.36 0.01 . 1 . . . . . . . . 5285 1 178 . 1 1 24 24 ASN HB2 H 1 2.56 0.01 . 1 . . . . . . . . 5285 1 179 . 1 1 24 24 ASN HB3 H 1 3.08 0.01 . 1 . . . . . . . . 5285 1 180 . 1 1 24 24 ASN N N 15 131.4 0.1 . 1 . . . . . . . . 5285 1 181 . 1 1 25 25 ILE H H 1 8.49 0.01 . 1 . . . . . . . . 5285 1 182 . 1 1 25 25 ILE HA H 1 3.68 0.01 . 1 . . . . . . . . 5285 1 183 . 1 1 25 25 ILE HB H 1 1.80 0.01 . 1 . . . . . . . . 5285 1 184 . 1 1 25 25 ILE HG12 H 1 1.40 0.01 . 2 . . . . . . . . 5285 1 185 . 1 1 25 25 ILE HG13 H 1 1.19 0.01 . 2 . . . . . . . . 5285 1 186 . 1 1 25 25 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5285 1 187 . 1 1 25 25 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5285 1 188 . 1 1 25 25 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5285 1 189 . 1 1 25 25 ILE HD11 H 1 0.86 0.01 . 1 . . . . . . . . 5285 1 190 . 1 1 25 25 ILE HD12 H 1 0.86 0.01 . 1 . . . . . . . . 5285 1 191 . 1 1 25 25 ILE HD13 H 1 0.86 0.01 . 1 . . . . . . . . 5285 1 192 . 1 1 25 25 ILE N N 15 126.1 0.1 . 1 . . . . . . . . 5285 1 193 . 1 1 26 26 VAL H H 1 7.53 0.01 . 1 . . . . . . . . 5285 1 194 . 1 1 26 26 VAL HA H 1 3.66 0.01 . 1 . . . . . . . . 5285 1 195 . 1 1 26 26 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5285 1 196 . 1 1 26 26 VAL HG11 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 197 . 1 1 26 26 VAL HG12 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 198 . 1 1 26 26 VAL HG13 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 199 . 1 1 26 26 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 200 . 1 1 26 26 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 201 . 1 1 26 26 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 202 . 1 1 26 26 VAL N N 15 124.3 0.1 . 1 . . . . . . . . 5285 1 203 . 1 1 27 27 LYS H H 1 7.58 0.01 . 1 . . . . . . . . 5285 1 204 . 1 1 27 27 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 5285 1 205 . 1 1 27 27 LYS HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5285 1 206 . 1 1 27 27 LYS HB3 H 1 1.76 0.01 . 1 . . . . . . . . 5285 1 207 . 1 1 27 27 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 5285 1 208 . 1 1 27 27 LYS HG3 H 1 1.37 0.01 . 2 . . . . . . . . 5285 1 209 . 1 1 27 27 LYS HD2 H 1 1.50 0.01 . 1 . . . . . . . . 5285 1 210 . 1 1 27 27 LYS HD3 H 1 1.50 0.01 . 1 . . . . . . . . 5285 1 211 . 1 1 27 27 LYS HE2 H 1 2.83 0.01 . 1 . . . . . . . . 5285 1 212 . 1 1 27 27 LYS HE3 H 1 2.83 0.01 . 1 . . . . . . . . 5285 1 213 . 1 1 27 27 LYS N N 15 122.0 0.1 . 1 . . . . . . . . 5285 1 214 . 1 1 28 28 ARG H H 1 8.55 0.01 . 1 . . . . . . . . 5285 1 215 . 1 1 28 28 ARG HA H 1 3.82 0.01 . 1 . . . . . . . . 5285 1 216 . 1 1 28 28 ARG HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5285 1 217 . 1 1 28 28 ARG HB3 H 1 1.68 0.01 . 1 . . . . . . . . 5285 1 218 . 1 1 28 28 ARG HG2 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 219 . 1 1 28 28 ARG HG3 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 220 . 1 1 28 28 ARG HD2 H 1 2.85 0.01 . 1 . . . . . . . . 5285 1 221 . 1 1 28 28 ARG HD3 H 1 3.05 0.01 . 1 . . . . . . . . 5285 1 222 . 1 1 28 28 ARG N N 15 122.4 0.1 . 1 . . . . . . . . 5285 1 223 . 1 1 29 29 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 5285 1 224 . 1 1 29 29 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 5285 1 225 . 1 1 29 29 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5285 1 226 . 1 1 29 29 LYS HB3 H 1 1.89 0.01 . 1 . . . . . . . . 5285 1 227 . 1 1 29 29 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5285 1 228 . 1 1 29 29 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5285 1 229 . 1 1 29 29 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5285 1 230 . 1 1 29 29 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5285 1 231 . 1 1 29 29 LYS HE2 H 1 2.91 0.01 . 1 . . . . . . . . 5285 1 232 . 1 1 29 29 LYS HE3 H 1 2.91 0.01 . 1 . . . . . . . . 5285 1 233 . 1 1 29 29 LYS N N 15 122.2 0.1 . 1 . . . . . . . . 5285 1 234 . 1 1 30 30 LEU H H 1 7.19 0.01 . 1 . . . . . . . . 5285 1 235 . 1 1 30 30 LEU HA H 1 4.10 0.01 . 1 . . . . . . . . 5285 1 236 . 1 1 30 30 LEU HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5285 1 237 . 1 1 30 30 LEU HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5285 1 238 . 1 1 30 30 LEU HG H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 239 . 1 1 30 30 LEU HD11 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 240 . 1 1 30 30 LEU HD12 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 241 . 1 1 30 30 LEU HD13 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 242 . 1 1 30 30 LEU HD21 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 243 . 1 1 30 30 LEU HD22 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 244 . 1 1 30 30 LEU HD23 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 245 . 1 1 30 30 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5285 1 246 . 1 1 31 31 ALA H H 1 8.55 0.01 . 1 . . . . . . . . 5285 1 247 . 1 1 31 31 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 5285 1 248 . 1 1 31 31 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 5285 1 249 . 1 1 31 31 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5285 1 250 . 1 1 31 31 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5285 1 251 . 1 1 31 31 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5285 1 252 . 1 1 32 32 ALA H H 1 7.41 0.01 . 1 . . . . . . . . 5285 1 253 . 1 1 32 32 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5285 1 254 . 1 1 32 32 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 5285 1 255 . 1 1 32 32 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 5285 1 256 . 1 1 32 32 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 5285 1 257 . 1 1 32 32 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 5285 1 258 . 1 1 33 33 HIS H H 1 7.39 0.01 . 1 . . . . . . . . 5285 1 259 . 1 1 33 33 HIS HA H 1 4.92 0.01 . 1 . . . . . . . . 5285 1 260 . 1 1 33 33 HIS HB2 H 1 2.86 0.01 . 1 . . . . . . . . 5285 1 261 . 1 1 33 33 HIS HB3 H 1 3.31 0.01 . 1 . . . . . . . . 5285 1 262 . 1 1 33 33 HIS HD2 H 1 7.16 0.01 . 1 . . . . . . . . 5285 1 263 . 1 1 33 33 HIS HE1 H 1 8.06 0.01 . 1 . . . . . . . . 5285 1 264 . 1 1 33 33 HIS N N 15 121.1 0.1 . 1 . . . . . . . . 5285 1 265 . 1 1 34 34 ASP H H 1 7.27 0.01 . 1 . . . . . . . . 5285 1 266 . 1 1 34 34 ASP HA H 1 4.33 0.01 . 1 . . . . . . . . 5285 1 267 . 1 1 34 34 ASP HB2 H 1 2.86 0.01 . 1 . . . . . . . . 5285 1 268 . 1 1 34 34 ASP HB3 H 1 2.86 0.01 . 1 . . . . . . . . 5285 1 269 . 1 1 34 34 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 5285 1 270 . 1 1 35 35 ASN H H 1 8.83 0.01 . 1 . . . . . . . . 5285 1 271 . 1 1 35 35 ASN HA H 1 4.22 0.01 . 1 . . . . . . . . 5285 1 272 . 1 1 35 35 ASN HB2 H 1 2.68 0.01 . 1 . . . . . . . . 5285 1 273 . 1 1 35 35 ASN HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5285 1 274 . 1 1 35 35 ASN HD21 H 1 7.18 0.01 . 1 . . . . . . . . 5285 1 275 . 1 1 35 35 ASN HD22 H 1 6.68 0.01 . 1 . . . . . . . . 5285 1 276 . 1 1 35 35 ASN N N 15 121.4 0.1 . 1 . . . . . . . . 5285 1 277 . 1 1 35 35 ASN ND2 N 15 115.0 0.1 . 1 . . . . . . . . 5285 1 278 . 1 1 36 36 LEU H H 1 6.82 0.01 . 1 . . . . . . . . 5285 1 279 . 1 1 36 36 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 5285 1 280 . 1 1 36 36 LEU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5285 1 281 . 1 1 36 36 LEU HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5285 1 282 . 1 1 36 36 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 5285 1 283 . 1 1 36 36 LEU HD11 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 284 . 1 1 36 36 LEU HD12 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 285 . 1 1 36 36 LEU HD13 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 286 . 1 1 36 36 LEU HD21 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 287 . 1 1 36 36 LEU HD22 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 288 . 1 1 36 36 LEU HD23 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 289 . 1 1 36 36 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 5285 1 290 . 1 1 37 37 LYS H H 1 9.40 0.01 . 1 . . . . . . . . 5285 1 291 . 1 1 37 37 LYS HA H 1 5.58 0.01 . 1 . . . . . . . . 5285 1 292 . 1 1 37 37 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5285 1 293 . 1 1 37 37 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5285 1 294 . 1 1 37 37 LYS HG2 H 1 1.37 0.01 . 1 . . . . . . . . 5285 1 295 . 1 1 37 37 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 5285 1 296 . 1 1 37 37 LYS HD2 H 1 1.63 0.01 . 2 . . . . . . . . 5285 1 297 . 1 1 37 37 LYS HD3 H 1 1.57 0.01 . 2 . . . . . . . . 5285 1 298 . 1 1 37 37 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 5285 1 299 . 1 1 37 37 LYS HE3 H 1 2.88 0.01 . 1 . . . . . . . . 5285 1 300 . 1 1 37 37 LYS N N 15 131.1 0.1 . 1 . . . . . . . . 5285 1 301 . 1 1 38 38 LEU H H 1 9.30 0.01 . 1 . . . . . . . . 5285 1 302 . 1 1 38 38 LEU HA H 1 5.56 0.01 . 1 . . . . . . . . 5285 1 303 . 1 1 38 38 LEU HB2 H 1 1.11 0.01 . 1 . . . . . . . . 5285 1 304 . 1 1 38 38 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 5285 1 305 . 1 1 38 38 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 5285 1 306 . 1 1 38 38 LEU HD11 H 1 0.33 0.01 . 1 . . . . . . . . 5285 1 307 . 1 1 38 38 LEU HD12 H 1 0.33 0.01 . 1 . . . . . . . . 5285 1 308 . 1 1 38 38 LEU HD13 H 1 0.33 0.01 . 1 . . . . . . . . 5285 1 309 . 1 1 38 38 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 310 . 1 1 38 38 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 311 . 1 1 38 38 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 312 . 1 1 38 38 LEU N N 15 126.4 0.1 . 1 . . . . . . . . 5285 1 313 . 1 1 39 39 THR H H 1 9.12 0.01 . 1 . . . . . . . . 5285 1 314 . 1 1 39 39 THR HA H 1 5.22 0.01 . 1 . . . . . . . . 5285 1 315 . 1 1 39 39 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 5285 1 316 . 1 1 39 39 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 5285 1 317 . 1 1 39 39 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 5285 1 318 . 1 1 39 39 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 5285 1 319 . 1 1 39 39 THR N N 15 124.6 0.1 . 1 . . . . . . . . 5285 1 320 . 1 1 40 40 ILE H H 1 8.57 0.01 . 1 . . . . . . . . 5285 1 321 . 1 1 40 40 ILE HA H 1 4.92 0.01 . 1 . . . . . . . . 5285 1 322 . 1 1 40 40 ILE HB H 1 2.19 0.01 . 1 . . . . . . . . 5285 1 323 . 1 1 40 40 ILE HG12 H 1 0.94 0.01 . 1 . . . . . . . . 5285 1 324 . 1 1 40 40 ILE HG13 H 1 1.70 0.01 . 1 . . . . . . . . 5285 1 325 . 1 1 40 40 ILE HG21 H 1 0.75 0.01 . 1 . . . . . . . . 5285 1 326 . 1 1 40 40 ILE HG22 H 1 0.75 0.01 . 1 . . . . . . . . 5285 1 327 . 1 1 40 40 ILE HG23 H 1 0.75 0.01 . 1 . . . . . . . . 5285 1 328 . 1 1 40 40 ILE HD11 H 1 0.54 0.01 . 1 . . . . . . . . 5285 1 329 . 1 1 40 40 ILE HD12 H 1 0.54 0.01 . 1 . . . . . . . . 5285 1 330 . 1 1 40 40 ILE HD13 H 1 0.54 0.01 . 1 . . . . . . . . 5285 1 331 . 1 1 40 40 ILE N N 15 132.0 0.1 . 1 . . . . . . . . 5285 1 332 . 1 1 41 41 THR H H 1 8.69 0.01 . 1 . . . . . . . . 5285 1 333 . 1 1 41 41 THR HA H 1 4.57 0.01 . 1 . . . . . . . . 5285 1 334 . 1 1 41 41 THR HB H 1 3.85 0.01 . 1 . . . . . . . . 5285 1 335 . 1 1 41 41 THR HG21 H 1 1.04 0.01 . 1 . . . . . . . . 5285 1 336 . 1 1 41 41 THR HG22 H 1 1.04 0.01 . 1 . . . . . . . . 5285 1 337 . 1 1 41 41 THR HG23 H 1 1.04 0.01 . 1 . . . . . . . . 5285 1 338 . 1 1 41 41 THR N N 15 125.0 0.1 . 1 . . . . . . . . 5285 1 339 . 1 1 42 42 GLN H H 1 8.95 0.01 . 1 . . . . . . . . 5285 1 340 . 1 1 42 42 GLN HA H 1 4.15 0.01 . 1 . . . . . . . . 5285 1 341 . 1 1 42 42 GLN HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5285 1 342 . 1 1 42 42 GLN HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5285 1 343 . 1 1 42 42 GLN HG2 H 1 0.97 0.01 . 1 . . . . . . . . 5285 1 344 . 1 1 42 42 GLN HG3 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 345 . 1 1 42 42 GLN HE21 H 1 7.49 0.01 . 1 . . . . . . . . 5285 1 346 . 1 1 42 42 GLN HE22 H 1 6.28 0.01 . 1 . . . . . . . . 5285 1 347 . 1 1 42 42 GLN N N 15 130.7 0.1 . 1 . . . . . . . . 5285 1 348 . 1 1 42 42 GLN NE2 N 15 110.5 0.1 . 1 . . . . . . . . 5285 1 349 . 1 1 43 43 GLU H H 1 8.81 0.01 . 1 . . . . . . . . 5285 1 350 . 1 1 43 43 GLU HA H 1 4.33 0.01 . 1 . . . . . . . . 5285 1 351 . 1 1 43 43 GLU HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 352 . 1 1 43 43 GLU HB3 H 1 1.66 0.01 . 1 . . . . . . . . 5285 1 353 . 1 1 43 43 GLU HG2 H 1 1.94 0.01 . 1 . . . . . . . . 5285 1 354 . 1 1 43 43 GLU HG3 H 1 1.94 0.01 . 1 . . . . . . . . 5285 1 355 . 1 1 43 43 GLU N N 15 132.6 0.1 . 1 . . . . . . . . 5285 1 356 . 1 1 44 44 GLY H H 1 8.87 0.01 . 1 . . . . . . . . 5285 1 357 . 1 1 44 44 GLY HA2 H 1 3.52 0.01 . 1 . . . . . . . . 5285 1 358 . 1 1 44 44 GLY HA3 H 1 3.90 0.01 . 1 . . . . . . . . 5285 1 359 . 1 1 44 44 GLY N N 15 120.7 0.1 . 1 . . . . . . . . 5285 1 360 . 1 1 45 45 ASN H H 1 8.72 0.01 . 1 . . . . . . . . 5285 1 361 . 1 1 45 45 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 5285 1 362 . 1 1 45 45 ASN HB2 H 1 2.91 0.01 . 1 . . . . . . . . 5285 1 363 . 1 1 45 45 ASN HB3 H 1 3.10 0.01 . 1 . . . . . . . . 5285 1 364 . 1 1 45 45 ASN HD21 H 1 7.76 0.01 . 1 . . . . . . . . 5285 1 365 . 1 1 45 45 ASN HD22 H 1 6.89 0.01 . 1 . . . . . . . . 5285 1 366 . 1 1 45 45 ASN N N 15 128.9 0.1 . 1 . . . . . . . . 5285 1 367 . 1 1 45 45 ASN ND2 N 15 115.5 0.1 . 1 . . . . . . . . 5285 1 368 . 1 1 46 46 LYS H H 1 7.88 0.01 . 1 . . . . . . . . 5285 1 369 . 1 1 46 46 LYS HA H 1 4.87 0.01 . 1 . . . . . . . . 5285 1 370 . 1 1 46 46 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 371 . 1 1 46 46 LYS HB3 H 1 1.68 0.01 . 1 . . . . . . . . 5285 1 372 . 1 1 46 46 LYS HG2 H 1 1.07 0.01 . 1 . . . . . . . . 5285 1 373 . 1 1 46 46 LYS HG3 H 1 1.25 0.01 . 1 . . . . . . . . 5285 1 374 . 1 1 46 46 LYS HD2 H 1 1.53 0.01 . 1 . . . . . . . . 5285 1 375 . 1 1 46 46 LYS HD3 H 1 1.53 0.01 . 1 . . . . . . . . 5285 1 376 . 1 1 46 46 LYS HE2 H 1 2.78 0.01 . 1 . . . . . . . . 5285 1 377 . 1 1 46 46 LYS HE3 H 1 2.78 0.01 . 1 . . . . . . . . 5285 1 378 . 1 1 46 46 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 5285 1 379 . 1 1 47 47 PHE H H 1 9.12 0.01 . 1 . . . . . . . . 5285 1 380 . 1 1 47 47 PHE HA H 1 4.81 0.01 . 1 . . . . . . . . 5285 1 381 . 1 1 47 47 PHE HB2 H 1 1.07 0.01 . 1 . . . . . . . . 5285 1 382 . 1 1 47 47 PHE HB3 H 1 1.51 0.01 . 1 . . . . . . . . 5285 1 383 . 1 1 47 47 PHE HD1 H 1 6.56 0.01 . 1 . . . . . . . . 5285 1 384 . 1 1 47 47 PHE HD2 H 1 6.56 0.01 . 1 . . . . . . . . 5285 1 385 . 1 1 47 47 PHE HE1 H 1 6.88 0.01 . 1 . . . . . . . . 5285 1 386 . 1 1 47 47 PHE HE2 H 1 6.88 0.01 . 1 . . . . . . . . 5285 1 387 . 1 1 47 47 PHE HZ H 1 6.49 0.01 . 1 . . . . . . . . 5285 1 388 . 1 1 47 47 PHE N N 15 130.0 0.1 . 1 . . . . . . . . 5285 1 389 . 1 1 48 48 THR H H 1 8.35 0.01 . 1 . . . . . . . . 5285 1 390 . 1 1 48 48 THR HA H 1 4.76 0.01 . 1 . . . . . . . . 5285 1 391 . 1 1 48 48 THR HB H 1 3.82 0.01 . 1 . . . . . . . . 5285 1 392 . 1 1 48 48 THR HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5285 1 393 . 1 1 48 48 THR HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5285 1 394 . 1 1 48 48 THR HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5285 1 395 . 1 1 48 48 THR N N 15 118.5 0.1 . 1 . . . . . . . . 5285 1 396 . 1 1 49 49 VAL H H 1 9.61 0.01 . 1 . . . . . . . . 5285 1 397 . 1 1 49 49 VAL HA H 1 4.74 0.01 . 1 . . . . . . . . 5285 1 398 . 1 1 49 49 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5285 1 399 . 1 1 49 49 VAL HG11 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 400 . 1 1 49 49 VAL HG12 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 401 . 1 1 49 49 VAL HG13 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 402 . 1 1 49 49 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 403 . 1 1 49 49 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 404 . 1 1 49 49 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 405 . 1 1 49 49 VAL N N 15 131.3 0.1 . 1 . . . . . . . . 5285 1 406 . 1 1 50 50 LYS H H 1 9.13 0.01 . 1 . . . . . . . . 5285 1 407 . 1 1 50 50 LYS HA H 1 4.94 0.01 . 1 . . . . . . . . 5285 1 408 . 1 1 50 50 LYS HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5285 1 409 . 1 1 50 50 LYS HB3 H 1 1.97 0.01 . 1 . . . . . . . . 5285 1 410 . 1 1 50 50 LYS HG2 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 411 . 1 1 50 50 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5285 1 412 . 1 1 50 50 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5285 1 413 . 1 1 50 50 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5285 1 414 . 1 1 50 50 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 5285 1 415 . 1 1 50 50 LYS HE3 H 1 2.88 0.01 . 1 . . . . . . . . 5285 1 416 . 1 1 50 50 LYS N N 15 130.7 0.1 . 1 . . . . . . . . 5285 1 417 . 1 1 51 51 GLU H H 1 9.03 0.01 . 1 . . . . . . . . 5285 1 418 . 1 1 51 51 GLU HA H 1 4.97 0.01 . 1 . . . . . . . . 5285 1 419 . 1 1 51 51 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5285 1 420 . 1 1 51 51 GLU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 5285 1 421 . 1 1 51 51 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 5285 1 422 . 1 1 51 51 GLU HG3 H 1 2.00 0.01 . 1 . . . . . . . . 5285 1 423 . 1 1 51 51 GLU N N 15 133.3 0.1 . 1 . . . . . . . . 5285 1 424 . 1 1 52 52 SER H H 1 9.00 0.01 . 1 . . . . . . . . 5285 1 425 . 1 1 52 52 SER HA H 1 5.52 0.01 . 1 . . . . . . . . 5285 1 426 . 1 1 52 52 SER HB2 H 1 3.83 0.01 . 1 . . . . . . . . 5285 1 427 . 1 1 52 52 SER HB3 H 1 3.90 0.01 . 1 . . . . . . . . 5285 1 428 . 1 1 52 52 SER N N 15 125.3 0.1 . 1 . . . . . . . . 5285 1 429 . 1 1 53 53 SER H H 1 9.05 0.01 . 1 . . . . . . . . 5285 1 430 . 1 1 53 53 SER HA H 1 5.01 0.01 . 1 . . . . . . . . 5285 1 431 . 1 1 53 53 SER HB2 H 1 3.59 0.01 . 1 . . . . . . . . 5285 1 432 . 1 1 53 53 SER HB3 H 1 2.85 0.01 . 1 . . . . . . . . 5285 1 433 . 1 1 53 53 SER N N 15 124.5 0.1 . 1 . . . . . . . . 5285 1 434 . 1 1 54 54 THR H H 1 8.94 0.01 . 1 . . . . . . . . 5285 1 435 . 1 1 54 54 THR HA H 1 3.97 0.01 . 1 . . . . . . . . 5285 1 436 . 1 1 54 54 THR HB H 1 3.84 0.01 . 1 . . . . . . . . 5285 1 437 . 1 1 54 54 THR HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5285 1 438 . 1 1 54 54 THR HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5285 1 439 . 1 1 54 54 THR HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5285 1 440 . 1 1 54 54 THR N N 15 115.0 0.1 . 1 . . . . . . . . 5285 1 441 . 1 1 55 55 PHE H H 1 7.91 0.01 . 1 . . . . . . . . 5285 1 442 . 1 1 55 55 PHE HA H 1 4.45 0.01 . 1 . . . . . . . . 5285 1 443 . 1 1 55 55 PHE HB2 H 1 2.68 0.01 . 1 . . . . . . . . 5285 1 444 . 1 1 55 55 PHE HB3 H 1 3.21 0.01 . 1 . . . . . . . . 5285 1 445 . 1 1 55 55 PHE HD1 H 1 7.29 0.01 . 1 . . . . . . . . 5285 1 446 . 1 1 55 55 PHE HD2 H 1 7.29 0.01 . 1 . . . . . . . . 5285 1 447 . 1 1 55 55 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 5285 1 448 . 1 1 55 55 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 5285 1 449 . 1 1 55 55 PHE HZ H 1 7.03 0.01 . 1 . . . . . . . . 5285 1 450 . 1 1 55 55 PHE N N 15 119.5 0.1 . 1 . . . . . . . . 5285 1 451 . 1 1 56 56 ARG H H 1 7.44 0.01 . 1 . . . . . . . . 5285 1 452 . 1 1 56 56 ARG HA H 1 4.66 0.01 . 1 . . . . . . . . 5285 1 453 . 1 1 56 56 ARG HB2 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 454 . 1 1 56 56 ARG HB3 H 1 2.20 0.01 . 1 . . . . . . . . 5285 1 455 . 1 1 56 56 ARG HG2 H 1 1.54 0.01 . 1 . . . . . . . . 5285 1 456 . 1 1 56 56 ARG HG3 H 1 1.22 0.01 . 1 . . . . . . . . 5285 1 457 . 1 1 56 56 ARG HD2 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 458 . 1 1 56 56 ARG HD3 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 459 . 1 1 56 56 ARG HE H 1 6.62 0.01 . 1 . . . . . . . . 5285 1 460 . 1 1 56 56 ARG N N 15 115.4 0.1 . 1 . . . . . . . . 5285 1 461 . 1 1 56 56 ARG NE N 15 86.8 0.1 . 1 . . . . . . . . 5285 1 462 . 1 1 57 57 ASN H H 1 8.34 0.01 . 1 . . . . . . . . 5285 1 463 . 1 1 57 57 ASN HA H 1 5.89 0.01 . 1 . . . . . . . . 5285 1 464 . 1 1 57 57 ASN HB2 H 1 2.75 0.01 . 1 . . . . . . . . 5285 1 465 . 1 1 57 57 ASN HB3 H 1 2.75 0.01 . 1 . . . . . . . . 5285 1 466 . 1 1 57 57 ASN HD21 H 1 7.48 0.01 . 1 . . . . . . . . 5285 1 467 . 1 1 57 57 ASN HD22 H 1 6.83 0.01 . 1 . . . . . . . . 5285 1 468 . 1 1 57 57 ASN N N 15 121.7 0.1 . 1 . . . . . . . . 5285 1 469 . 1 1 57 57 ASN ND2 N 15 116.2 0.1 . 1 . . . . . . . . 5285 1 470 . 1 1 58 58 ILE H H 1 8.91 0.01 . 1 . . . . . . . . 5285 1 471 . 1 1 58 58 ILE HA H 1 4.87 0.01 . 1 . . . . . . . . 5285 1 472 . 1 1 58 58 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 5285 1 473 . 1 1 58 58 ILE HG12 H 1 1.50 0.01 . 1 . . . . . . . . 5285 1 474 . 1 1 58 58 ILE HG13 H 1 1.50 0.01 . 1 . . . . . . . . 5285 1 475 . 1 1 58 58 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 476 . 1 1 58 58 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 477 . 1 1 58 58 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 478 . 1 1 58 58 ILE HD11 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 479 . 1 1 58 58 ILE HD12 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 480 . 1 1 58 58 ILE HD13 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 481 . 1 1 58 58 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 5285 1 482 . 1 1 59 59 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 5285 1 483 . 1 1 59 59 GLU HA H 1 5.28 0.01 . 1 . . . . . . . . 5285 1 484 . 1 1 59 59 GLU HB2 H 1 1.93 0.01 . 1 . . . . . . . . 5285 1 485 . 1 1 59 59 GLU HB3 H 1 1.93 0.01 . 1 . . . . . . . . 5285 1 486 . 1 1 59 59 GLU HG2 H 1 2.00 0.01 . 1 . . . . . . . . 5285 1 487 . 1 1 59 59 GLU HG3 H 1 2.00 0.01 . 1 . . . . . . . . 5285 1 488 . 1 1 59 59 GLU N N 15 126.7 0.1 . 1 . . . . . . . . 5285 1 489 . 1 1 60 60 VAL H H 1 9.45 0.01 . 1 . . . . . . . . 5285 1 490 . 1 1 60 60 VAL HA H 1 4.41 0.01 . 1 . . . . . . . . 5285 1 491 . 1 1 60 60 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 5285 1 492 . 1 1 60 60 VAL HG11 H 1 1.17 0.01 . 1 . . . . . . . . 5285 1 493 . 1 1 60 60 VAL HG12 H 1 1.17 0.01 . 1 . . . . . . . . 5285 1 494 . 1 1 60 60 VAL HG13 H 1 1.17 0.01 . 1 . . . . . . . . 5285 1 495 . 1 1 60 60 VAL HG21 H 1 1.21 0.01 . 1 . . . . . . . . 5285 1 496 . 1 1 60 60 VAL HG22 H 1 1.21 0.01 . 1 . . . . . . . . 5285 1 497 . 1 1 60 60 VAL HG23 H 1 1.21 0.01 . 1 . . . . . . . . 5285 1 498 . 1 1 60 60 VAL N N 15 130.9 0.1 . 1 . . . . . . . . 5285 1 499 . 1 1 61 61 VAL H H 1 8.11 0.01 . 1 . . . . . . . . 5285 1 500 . 1 1 61 61 VAL HA H 1 5.10 0.01 . 1 . . . . . . . . 5285 1 501 . 1 1 61 61 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 5285 1 502 . 1 1 61 61 VAL HG11 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 503 . 1 1 61 61 VAL HG12 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 504 . 1 1 61 61 VAL HG13 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 505 . 1 1 61 61 VAL HG21 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 506 . 1 1 61 61 VAL HG22 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 507 . 1 1 61 61 VAL HG23 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 508 . 1 1 61 61 VAL N N 15 128.9 0.1 . 1 . . . . . . . . 5285 1 509 . 1 1 62 62 PHE H H 1 8.43 0.01 . 1 . . . . . . . . 5285 1 510 . 1 1 62 62 PHE HA H 1 4.85 0.01 . 1 . . . . . . . . 5285 1 511 . 1 1 62 62 PHE HB2 H 1 2.75 0.01 . 1 . . . . . . . . 5285 1 512 . 1 1 62 62 PHE HB3 H 1 1.51 0.01 . 1 . . . . . . . . 5285 1 513 . 1 1 62 62 PHE HD1 H 1 6.45 0.01 . 1 . . . . . . . . 5285 1 514 . 1 1 62 62 PHE HD2 H 1 6.45 0.01 . 1 . . . . . . . . 5285 1 515 . 1 1 62 62 PHE HE1 H 1 5.37 0.01 . 1 . . . . . . . . 5285 1 516 . 1 1 62 62 PHE HE2 H 1 5.37 0.01 . 1 . . . . . . . . 5285 1 517 . 1 1 62 62 PHE HZ H 1 6.39 0.01 . 1 . . . . . . . . 5285 1 518 . 1 1 62 62 PHE N N 15 125.1 0.1 . 1 . . . . . . . . 5285 1 519 . 1 1 63 63 GLU H H 1 9.48 0.01 . 1 . . . . . . . . 5285 1 520 . 1 1 63 63 GLU HA H 1 5.30 0.01 . 1 . . . . . . . . 5285 1 521 . 1 1 63 63 GLU HB2 H 1 1.94 0.01 . 1 . . . . . . . . 5285 1 522 . 1 1 63 63 GLU HB3 H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 523 . 1 1 63 63 GLU HG2 H 1 2.17 0.01 . 1 . . . . . . . . 5285 1 524 . 1 1 63 63 GLU HG3 H 1 2.17 0.01 . 1 . . . . . . . . 5285 1 525 . 1 1 63 63 GLU N N 15 123.8 0.1 . 1 . . . . . . . . 5285 1 526 . 1 1 64 64 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 5285 1 527 . 1 1 64 64 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 5285 1 528 . 1 1 64 64 LEU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5285 1 529 . 1 1 64 64 LEU HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5285 1 530 . 1 1 64 64 LEU HG H 1 1.08 0.01 . 9 . . . . . . . . 5285 1 531 . 1 1 64 64 LEU HD11 H 1 1.16 0.01 . 1 . . . . . . . . 5285 1 532 . 1 1 64 64 LEU HD12 H 1 1.16 0.01 . 1 . . . . . . . . 5285 1 533 . 1 1 64 64 LEU HD13 H 1 1.16 0.01 . 1 . . . . . . . . 5285 1 534 . 1 1 64 64 LEU HD21 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 535 . 1 1 64 64 LEU HD22 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 536 . 1 1 64 64 LEU HD23 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 537 . 1 1 64 64 LEU N N 15 128.1 0.1 . 1 . . . . . . . . 5285 1 538 . 1 1 65 65 GLY H H 1 9.23 0.01 . 1 . . . . . . . . 5285 1 539 . 1 1 65 65 GLY HA2 H 1 4.26 0.01 . 1 . . . . . . . . 5285 1 540 . 1 1 65 65 GLY HA3 H 1 3.61 0.01 . 1 . . . . . . . . 5285 1 541 . 1 1 65 65 GLY N N 15 112.1 0.1 . 1 . . . . . . . . 5285 1 542 . 1 1 66 66 VAL H H 1 7.96 0.01 . 1 . . . . . . . . 5285 1 543 . 1 1 66 66 VAL HA H 1 4.33 0.01 . 1 . . . . . . . . 5285 1 544 . 1 1 66 66 VAL HB H 1 2.32 0.01 . 1 . . . . . . . . 5285 1 545 . 1 1 66 66 VAL HG11 H 1 1.10 0.01 . 1 . . . . . . . . 5285 1 546 . 1 1 66 66 VAL HG12 H 1 1.10 0.01 . 1 . . . . . . . . 5285 1 547 . 1 1 66 66 VAL HG13 H 1 1.10 0.01 . 1 . . . . . . . . 5285 1 548 . 1 1 66 66 VAL HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 549 . 1 1 66 66 VAL HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 550 . 1 1 66 66 VAL HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 551 . 1 1 66 66 VAL N N 15 125.8 0.1 . 1 . . . . . . . . 5285 1 552 . 1 1 67 67 THR H H 1 8.67 0.01 . 1 . . . . . . . . 5285 1 553 . 1 1 67 67 THR HA H 1 4.31 0.01 . 1 . . . . . . . . 5285 1 554 . 1 1 67 67 THR HB H 1 3.87 0.01 . 1 . . . . . . . . 5285 1 555 . 1 1 67 67 THR HG21 H 1 1.07 0.01 . 1 . . . . . . . . 5285 1 556 . 1 1 67 67 THR HG22 H 1 1.07 0.01 . 1 . . . . . . . . 5285 1 557 . 1 1 67 67 THR HG23 H 1 1.07 0.01 . 1 . . . . . . . . 5285 1 558 . 1 1 67 67 THR N N 15 132.8 0.1 . 1 . . . . . . . . 5285 1 559 . 1 1 68 68 PHE H H 1 9.50 0.01 . 1 . . . . . . . . 5285 1 560 . 1 1 68 68 PHE HA H 1 5.10 0.01 . 1 . . . . . . . . 5285 1 561 . 1 1 68 68 PHE HB2 H 1 3.36 0.01 . 1 . . . . . . . . 5285 1 562 . 1 1 68 68 PHE HB3 H 1 3.49 0.01 . 1 . . . . . . . . 5285 1 563 . 1 1 68 68 PHE HD1 H 1 7.59 0.01 . 1 . . . . . . . . 5285 1 564 . 1 1 68 68 PHE HD2 H 1 7.59 0.01 . 1 . . . . . . . . 5285 1 565 . 1 1 68 68 PHE HE1 H 1 6.97 0.01 . 1 . . . . . . . . 5285 1 566 . 1 1 68 68 PHE HE2 H 1 6.97 0.01 . 1 . . . . . . . . 5285 1 567 . 1 1 68 68 PHE HZ H 1 6.85 0.01 . 1 . . . . . . . . 5285 1 568 . 1 1 68 68 PHE N N 15 129.1 0.1 . 1 . . . . . . . . 5285 1 569 . 1 1 69 69 ASN H H 1 8.33 0.01 . 1 . . . . . . . . 5285 1 570 . 1 1 69 69 ASN HA H 1 5.61 0.01 . 1 . . . . . . . . 5285 1 571 . 1 1 69 69 ASN HB2 H 1 2.73 0.01 . 1 . . . . . . . . 5285 1 572 . 1 1 69 69 ASN HB3 H 1 2.73 0.01 . 1 . . . . . . . . 5285 1 573 . 1 1 69 69 ASN HD21 H 1 7.33 0.01 . 2 . . . . . . . . 5285 1 574 . 1 1 69 69 ASN HD22 H 1 6.69 0.01 . 2 . . . . . . . . 5285 1 575 . 1 1 69 69 ASN N N 15 120.0 0.1 . 1 . . . . . . . . 5285 1 576 . 1 1 69 69 ASN ND2 N 15 114.5 0.1 . 1 . . . . . . . . 5285 1 577 . 1 1 70 70 TYR H H 1 8.88 0.01 . 1 . . . . . . . . 5285 1 578 . 1 1 70 70 TYR HA H 1 4.64 0.01 . 1 . . . . . . . . 5285 1 579 . 1 1 70 70 TYR HB2 H 1 3.03 0.01 . 1 . . . . . . . . 5285 1 580 . 1 1 70 70 TYR HB3 H 1 2.07 0.01 . 1 . . . . . . . . 5285 1 581 . 1 1 70 70 TYR HD1 H 1 6.75 0.01 . 1 . . . . . . . . 5285 1 582 . 1 1 70 70 TYR HD2 H 1 6.75 0.01 . 1 . . . . . . . . 5285 1 583 . 1 1 70 70 TYR HE1 H 1 6.53 0.01 . 1 . . . . . . . . 5285 1 584 . 1 1 70 70 TYR HE2 H 1 6.53 0.01 . 1 . . . . . . . . 5285 1 585 . 1 1 70 70 TYR N N 15 126.4 0.1 . 1 . . . . . . . . 5285 1 586 . 1 1 71 71 ASN H H 1 7.69 0.01 . 1 . . . . . . . . 5285 1 587 . 1 1 71 71 ASN HA H 1 5.30 0.01 . 1 . . . . . . . . 5285 1 588 . 1 1 71 71 ASN HB2 H 1 2.22 0.01 . 1 . . . . . . . . 5285 1 589 . 1 1 71 71 ASN HB3 H 1 2.22 0.01 . 1 . . . . . . . . 5285 1 590 . 1 1 71 71 ASN N N 15 127.7 0.1 . 1 . . . . . . . . 5285 1 591 . 1 1 72 72 LEU H H 1 8.92 0.01 . 1 . . . . . . . . 5285 1 592 . 1 1 72 72 LEU HA H 1 3.97 0.01 . 1 . . . . . . . . 5285 1 593 . 1 1 72 72 LEU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5285 1 594 . 1 1 72 72 LEU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5285 1 595 . 1 1 72 72 LEU HG H 1 1.36 0.01 . 1 . . . . . . . . 5285 1 596 . 1 1 72 72 LEU HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 597 . 1 1 72 72 LEU HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 598 . 1 1 72 72 LEU HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 599 . 1 1 72 72 LEU HD21 H 1 0.64 0.01 . 1 . . . . . . . . 5285 1 600 . 1 1 72 72 LEU HD22 H 1 0.64 0.01 . 1 . . . . . . . . 5285 1 601 . 1 1 72 72 LEU HD23 H 1 0.64 0.01 . 1 . . . . . . . . 5285 1 602 . 1 1 72 72 LEU N N 15 125.2 0.1 . 1 . . . . . . . . 5285 1 603 . 1 1 73 73 ALA H H 1 8.91 0.01 . 1 . . . . . . . . 5285 1 604 . 1 1 73 73 ALA HA H 1 3.71 0.01 . 1 . . . . . . . . 5285 1 605 . 1 1 73 73 ALA HB1 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 606 . 1 1 73 73 ALA HB2 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 607 . 1 1 73 73 ALA HB3 H 1 0.82 0.01 . 1 . . . . . . . . 5285 1 608 . 1 1 73 73 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5285 1 609 . 1 1 74 74 ASP H H 1 7.14 0.01 . 1 . . . . . . . . 5285 1 610 . 1 1 74 74 ASP HA H 1 4.31 0.01 . 1 . . . . . . . . 5285 1 611 . 1 1 74 74 ASP HB2 H 1 2.91 0.01 . 1 . . . . . . . . 5285 1 612 . 1 1 74 74 ASP HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5285 1 613 . 1 1 74 74 ASP N N 15 117.1 0.1 . 1 . . . . . . . . 5285 1 614 . 1 1 75 75 GLY H H 1 7.85 0.01 . 1 . . . . . . . . 5285 1 615 . 1 1 75 75 GLY HA2 H 1 3.42 0.01 . 1 . . . . . . . . 5285 1 616 . 1 1 75 75 GLY HA3 H 1 4.26 0.01 . 1 . . . . . . . . 5285 1 617 . 1 1 75 75 GLY N N 15 112.1 0.1 . 1 . . . . . . . . 5285 1 618 . 1 1 76 76 THR H H 1 7.74 0.01 . 1 . . . . . . . . 5285 1 619 . 1 1 76 76 THR HA H 1 3.72 0.01 . 1 . . . . . . . . 5285 1 620 . 1 1 76 76 THR HB H 1 3.85 0.01 . 1 . . . . . . . . 5285 1 621 . 1 1 76 76 THR HG21 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 622 . 1 1 76 76 THR HG22 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 623 . 1 1 76 76 THR HG23 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 624 . 1 1 76 76 THR N N 15 123.2 0.1 . 1 . . . . . . . . 5285 1 625 . 1 1 77 77 GLU H H 1 8.62 0.01 . 1 . . . . . . . . 5285 1 626 . 1 1 77 77 GLU HA H 1 4.61 0.01 . 1 . . . . . . . . 5285 1 627 . 1 1 77 77 GLU HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 628 . 1 1 77 77 GLU HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 629 . 1 1 77 77 GLU HG2 H 1 2.09 0.01 . 1 . . . . . . . . 5285 1 630 . 1 1 77 77 GLU HG3 H 1 2.09 0.01 . 1 . . . . . . . . 5285 1 631 . 1 1 77 77 GLU N N 15 133.1 0.1 . 1 . . . . . . . . 5285 1 632 . 1 1 78 78 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 5285 1 633 . 1 1 78 78 LEU HA H 1 5.25 0.01 . 1 . . . . . . . . 5285 1 634 . 1 1 78 78 LEU HB2 H 1 1.68 0.01 . 1 . . . . . . . . 5285 1 635 . 1 1 78 78 LEU HB3 H 1 1.24 0.01 . 1 . . . . . . . . 5285 1 636 . 1 1 78 78 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 5285 1 637 . 1 1 78 78 LEU HD11 H 1 0.49 0.01 . 1 . . . . . . . . 5285 1 638 . 1 1 78 78 LEU HD12 H 1 0.49 0.01 . 1 . . . . . . . . 5285 1 639 . 1 1 78 78 LEU HD13 H 1 0.49 0.01 . 1 . . . . . . . . 5285 1 640 . 1 1 78 78 LEU HD21 H 1 0.61 0.01 . 1 . . . . . . . . 5285 1 641 . 1 1 78 78 LEU HD22 H 1 0.61 0.01 . 1 . . . . . . . . 5285 1 642 . 1 1 78 78 LEU HD23 H 1 0.61 0.01 . 1 . . . . . . . . 5285 1 643 . 1 1 78 78 LEU N N 15 128.5 0.1 . 1 . . . . . . . . 5285 1 644 . 1 1 79 79 ARG H H 1 8.48 0.01 . 1 . . . . . . . . 5285 1 645 . 1 1 79 79 ARG HA H 1 5.35 0.01 . 1 . . . . . . . . 5285 1 646 . 1 1 79 79 ARG HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5285 1 647 . 1 1 79 79 ARG HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5285 1 648 . 1 1 79 79 ARG HG2 H 1 1.24 0.01 . 1 . . . . . . . . 5285 1 649 . 1 1 79 79 ARG HG3 H 1 1.24 0.01 . 1 . . . . . . . . 5285 1 650 . 1 1 79 79 ARG HD2 H 1 3.10 0.01 . 2 . . . . . . . . 5285 1 651 . 1 1 79 79 ARG HD3 H 1 3.02 0.01 . 2 . . . . . . . . 5285 1 652 . 1 1 79 79 ARG N N 15 122.6 0.1 . 1 . . . . . . . . 5285 1 653 . 1 1 80 80 GLY H H 1 8.80 0.01 . 1 . . . . . . . . 5285 1 654 . 1 1 80 80 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 5285 1 655 . 1 1 80 80 GLY HA3 H 1 3.81 0.01 . 1 . . . . . . . . 5285 1 656 . 1 1 80 80 GLY N N 15 118.3 0.1 . 1 . . . . . . . . 5285 1 657 . 1 1 81 81 THR H H 1 6.75 0.01 . 1 . . . . . . . . 5285 1 658 . 1 1 81 81 THR HA H 1 4.54 0.01 . 1 . . . . . . . . 5285 1 659 . 1 1 81 81 THR HB H 1 3.68 0.01 . 1 . . . . . . . . 5285 1 660 . 1 1 81 81 THR HG21 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 661 . 1 1 81 81 THR HG22 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 662 . 1 1 81 81 THR HG23 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 663 . 1 1 81 81 THR N N 15 109.6 0.1 . 1 . . . . . . . . 5285 1 664 . 1 1 82 82 TRP H H 1 9.05 0.01 . 1 . . . . . . . . 5285 1 665 . 1 1 82 82 TRP HA H 1 5.28 0.01 . 1 . . . . . . . . 5285 1 666 . 1 1 82 82 TRP HB2 H 1 2.45 0.01 . 1 . . . . . . . . 5285 1 667 . 1 1 82 82 TRP HB3 H 1 2.45 0.01 . 1 . . . . . . . . 5285 1 668 . 1 1 82 82 TRP HD1 H 1 4.90 0.01 . 1 . . . . . . . . 5285 1 669 . 1 1 82 82 TRP HE1 H 1 10.44 0.01 . 1 . . . . . . . . 5285 1 670 . 1 1 82 82 TRP HE3 H 1 7.01 0.01 . 1 . . . . . . . . 5285 1 671 . 1 1 82 82 TRP HZ2 H 1 6.69 0.01 . 1 . . . . . . . . 5285 1 672 . 1 1 82 82 TRP HZ3 H 1 6.71 0.01 . 1 . . . . . . . . 5285 1 673 . 1 1 82 82 TRP HH2 H 1 6.51 0.01 . 1 . . . . . . . . 5285 1 674 . 1 1 82 82 TRP N N 15 124.0 0.1 . 1 . . . . . . . . 5285 1 675 . 1 1 82 82 TRP NE1 N 15 134.5 0.1 . 1 . . . . . . . . 5285 1 676 . 1 1 83 83 SER H H 1 9.00 0.01 . 1 . . . . . . . . 5285 1 677 . 1 1 83 83 SER HA H 1 4.76 0.01 . 1 . . . . . . . . 5285 1 678 . 1 1 83 83 SER HB2 H 1 3.67 0.01 . 1 . . . . . . . . 5285 1 679 . 1 1 83 83 SER HB3 H 1 3.82 0.01 . 1 . . . . . . . . 5285 1 680 . 1 1 83 83 SER N N 15 118.9 0.1 . 1 . . . . . . . . 5285 1 681 . 1 1 84 84 LEU H H 1 8.80 0.01 . 1 . . . . . . . . 5285 1 682 . 1 1 84 84 LEU HA H 1 5.17 0.01 . 1 . . . . . . . . 5285 1 683 . 1 1 84 84 LEU HB2 H 1 1.35 0.01 . 1 . . . . . . . . 5285 1 684 . 1 1 84 84 LEU HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5285 1 685 . 1 1 84 84 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 5285 1 686 . 1 1 84 84 LEU HD11 H 1 0.88 0.01 . 1 . . . . . . . . 5285 1 687 . 1 1 84 84 LEU HD12 H 1 0.88 0.01 . 1 . . . . . . . . 5285 1 688 . 1 1 84 84 LEU HD13 H 1 0.88 0.01 . 1 . . . . . . . . 5285 1 689 . 1 1 84 84 LEU HD21 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 690 . 1 1 84 84 LEU HD22 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 691 . 1 1 84 84 LEU HD23 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 692 . 1 1 84 84 LEU N N 15 129.5 0.1 . 1 . . . . . . . . 5285 1 693 . 1 1 85 85 GLU H H 1 8.93 0.01 . 1 . . . . . . . . 5285 1 694 . 1 1 85 85 GLU HA H 1 4.56 0.01 . 1 . . . . . . . . 5285 1 695 . 1 1 85 85 GLU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 5285 1 696 . 1 1 85 85 GLU HB3 H 1 1.93 0.01 . 1 . . . . . . . . 5285 1 697 . 1 1 85 85 GLU HG2 H 1 2.09 0.01 . 1 . . . . . . . . 5285 1 698 . 1 1 85 85 GLU HG3 H 1 2.09 0.01 . 1 . . . . . . . . 5285 1 699 . 1 1 85 85 GLU N N 15 131.4 0.1 . 1 . . . . . . . . 5285 1 700 . 1 1 86 86 GLY H H 1 8.92 0.01 . 1 . . . . . . . . 5285 1 701 . 1 1 86 86 GLY HA2 H 1 3.62 0.01 . 1 . . . . . . . . 5285 1 702 . 1 1 86 86 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 5285 1 703 . 1 1 87 87 ASN H H 1 8.70 0.01 . 1 . . . . . . . . 5285 1 704 . 1 1 87 87 ASN HA H 1 4.74 0.01 . 1 . . . . . . . . 5285 1 705 . 1 1 87 87 ASN HB2 H 1 2.91 0.01 . 1 . . . . . . . . 5285 1 706 . 1 1 87 87 ASN HB3 H 1 2.82 0.01 . 1 . . . . . . . . 5285 1 707 . 1 1 87 87 ASN HD21 H 1 7.49 0.01 . 1 . . . . . . . . 5285 1 708 . 1 1 87 87 ASN HD22 H 1 6.86 0.01 . 1 . . . . . . . . 5285 1 709 . 1 1 87 87 ASN N N 15 126.0 0.1 . 1 . . . . . . . . 5285 1 710 . 1 1 87 87 ASN ND2 N 15 115.8 0.1 . 1 . . . . . . . . 5285 1 711 . 1 1 88 88 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 5285 1 712 . 1 1 88 88 LYS HA H 1 4.96 0.01 . 1 . . . . . . . . 5285 1 713 . 1 1 88 88 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5285 1 714 . 1 1 88 88 LYS HB3 H 1 1.66 0.01 . 1 . . . . . . . . 5285 1 715 . 1 1 88 88 LYS HG2 H 1 1.29 0.01 . 1 . . . . . . . . 5285 1 716 . 1 1 88 88 LYS HG3 H 1 1.52 0.01 . 1 . . . . . . . . 5285 1 717 . 1 1 88 88 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 5285 1 718 . 1 1 88 88 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 5285 1 719 . 1 1 88 88 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 720 . 1 1 88 88 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 721 . 1 1 88 88 LYS N N 15 122.1 0.1 . 1 . . . . . . . . 5285 1 722 . 1 1 89 89 LEU H H 1 8.49 0.01 . 1 . . . . . . . . 5285 1 723 . 1 1 89 89 LEU HA H 1 4.99 0.01 . 1 . . . . . . . . 5285 1 724 . 1 1 89 89 LEU HB2 H 1 0.76 0.01 . 1 . . . . . . . . 5285 1 725 . 1 1 89 89 LEU HB3 H 1 1.07 0.01 . 1 . . . . . . . . 5285 1 726 . 1 1 89 89 LEU HG H 1 0.94 0.01 . 1 . . . . . . . . 5285 1 727 . 1 1 89 89 LEU HD11 H 1 -0.49 0.01 . 1 . . . . . . . . 5285 1 728 . 1 1 89 89 LEU HD12 H 1 -0.49 0.01 . 1 . . . . . . . . 5285 1 729 . 1 1 89 89 LEU HD13 H 1 -0.49 0.01 . 1 . . . . . . . . 5285 1 730 . 1 1 89 89 LEU HD21 H 1 -0.33 0.01 . 1 . . . . . . . . 5285 1 731 . 1 1 89 89 LEU HD22 H 1 -0.33 0.01 . 1 . . . . . . . . 5285 1 732 . 1 1 89 89 LEU HD23 H 1 -0.33 0.01 . 1 . . . . . . . . 5285 1 733 . 1 1 89 89 LEU N N 15 127.1 0.1 . 1 . . . . . . . . 5285 1 734 . 1 1 90 90 ILE H H 1 9.56 0.01 . 1 . . . . . . . . 5285 1 735 . 1 1 90 90 ILE HA H 1 4.63 0.01 . 1 . . . . . . . . 5285 1 736 . 1 1 90 90 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 5285 1 737 . 1 1 90 90 ILE HG12 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 738 . 1 1 90 90 ILE HG13 H 1 1.45 0.01 . 1 . . . . . . . . 5285 1 739 . 1 1 90 90 ILE HG21 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 740 . 1 1 90 90 ILE HG22 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 741 . 1 1 90 90 ILE HG23 H 1 0.84 0.01 . 1 . . . . . . . . 5285 1 742 . 1 1 90 90 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 743 . 1 1 90 90 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 744 . 1 1 90 90 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 745 . 1 1 90 90 ILE N N 15 128.5 0.1 . 1 . . . . . . . . 5285 1 746 . 1 1 91 91 GLY H H 1 9.76 0.01 . 1 . . . . . . . . 5285 1 747 . 1 1 91 91 GLY HA2 H 1 2.27 0.01 . 1 . . . . . . . . 5285 1 748 . 1 1 91 91 GLY HA3 H 1 4.67 0.01 . 1 . . . . . . . . 5285 1 749 . 1 1 91 91 GLY N N 15 125.2 0.1 . 1 . . . . . . . . 5285 1 750 . 1 1 92 92 LYS H H 1 7.69 0.01 . 1 . . . . . . . . 5285 1 751 . 1 1 92 92 LYS HA H 1 4.69 0.01 . 1 . . . . . . . . 5285 1 752 . 1 1 92 92 LYS HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5285 1 753 . 1 1 92 92 LYS HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5285 1 754 . 1 1 92 92 LYS HG2 H 1 1.17 0.01 . 2 . . . . . . . . 5285 1 755 . 1 1 92 92 LYS HG3 H 1 1.13 0.01 . 2 . . . . . . . . 5285 1 756 . 1 1 92 92 LYS HD2 H 1 1.51 0.01 . 1 . . . . . . . . 5285 1 757 . 1 1 92 92 LYS HD3 H 1 1.51 0.01 . 1 . . . . . . . . 5285 1 758 . 1 1 92 92 LYS HE2 H 1 2.81 0.01 . 1 . . . . . . . . 5285 1 759 . 1 1 92 92 LYS HE3 H 1 2.81 0.01 . 1 . . . . . . . . 5285 1 760 . 1 1 92 92 LYS N N 15 131.0 0.1 . 1 . . . . . . . . 5285 1 761 . 1 1 93 93 PHE H H 1 8.39 0.01 . 1 . . . . . . . . 5285 1 762 . 1 1 93 93 PHE HA H 1 5.02 0.01 . 1 . . . . . . . . 5285 1 763 . 1 1 93 93 PHE HB2 H 1 2.86 0.01 . 1 . . . . . . . . 5285 1 764 . 1 1 93 93 PHE HB3 H 1 2.58 0.01 . 1 . . . . . . . . 5285 1 765 . 1 1 93 93 PHE HD1 H 1 6.24 0.01 . 1 . . . . . . . . 5285 1 766 . 1 1 93 93 PHE HD2 H 1 6.24 0.01 . 1 . . . . . . . . 5285 1 767 . 1 1 93 93 PHE HE1 H 1 5.54 0.01 . 1 . . . . . . . . 5285 1 768 . 1 1 93 93 PHE HE2 H 1 5.54 0.01 . 1 . . . . . . . . 5285 1 769 . 1 1 93 93 PHE HZ H 1 5.58 0.01 . 1 . . . . . . . . 5285 1 770 . 1 1 93 93 PHE N N 15 126.2 0.1 . 1 . . . . . . . . 5285 1 771 . 1 1 94 94 LYS H H 1 8.84 0.01 . 1 . . . . . . . . 5285 1 772 . 1 1 94 94 LYS HA H 1 5.02 0.01 . 1 . . . . . . . . 5285 1 773 . 1 1 94 94 LYS HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5285 1 774 . 1 1 94 94 LYS HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5285 1 775 . 1 1 94 94 LYS HG2 H 1 1.28 0.01 . 1 . . . . . . . . 5285 1 776 . 1 1 94 94 LYS HG3 H 1 1.28 0.01 . 1 . . . . . . . . 5285 1 777 . 1 1 94 94 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 5285 1 778 . 1 1 94 94 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 5285 1 779 . 1 1 94 94 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 780 . 1 1 94 94 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5285 1 781 . 1 1 94 94 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 5285 1 782 . 1 1 95 95 ARG H H 1 8.69 0.01 . 1 . . . . . . . . 5285 1 783 . 1 1 95 95 ARG HA H 1 4.75 0.01 . 1 . . . . . . . . 5285 1 784 . 1 1 95 95 ARG HB2 H 1 2.07 0.01 . 1 . . . . . . . . 5285 1 785 . 1 1 95 95 ARG HB3 H 1 2.52 0.01 . 1 . . . . . . . . 5285 1 786 . 1 1 95 95 ARG HG2 H 1 1.29 0.01 . 1 . . . . . . . . 5285 1 787 . 1 1 95 95 ARG HG3 H 1 1.73 0.01 . 1 . . . . . . . . 5285 1 788 . 1 1 95 95 ARG HD2 H 1 2.84 0.01 . 1 . . . . . . . . 5285 1 789 . 1 1 95 95 ARG HD3 H 1 2.84 0.01 . 1 . . . . . . . . 5285 1 790 . 1 1 95 95 ARG HE H 1 9.05 0.01 . 1 . . . . . . . . 5285 1 791 . 1 1 95 95 ARG N N 15 126.3 0.1 . 1 . . . . . . . . 5285 1 792 . 1 1 95 95 ARG NE N 15 87.9 0.1 . 1 . . . . . . . . 5285 1 793 . 1 1 96 96 THR H H 1 8.47 0.01 . 1 . . . . . . . . 5285 1 794 . 1 1 96 96 THR HA H 1 4.05 0.01 . 1 . . . . . . . . 5285 1 795 . 1 1 96 96 THR HB H 1 4.28 0.01 . 1 . . . . . . . . 5285 1 796 . 1 1 96 96 THR HG21 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 797 . 1 1 96 96 THR HG22 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 798 . 1 1 96 96 THR HG23 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 799 . 1 1 96 96 THR N N 15 120.6 0.1 . 1 . . . . . . . . 5285 1 800 . 1 1 97 97 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 5285 1 801 . 1 1 97 97 ASP HA H 1 4.31 0.01 . 1 . . . . . . . . 5285 1 802 . 1 1 97 97 ASP HB2 H 1 2.83 0.01 . 1 . . . . . . . . 5285 1 803 . 1 1 97 97 ASP HB3 H 1 2.69 0.01 . 1 . . . . . . . . 5285 1 804 . 1 1 97 97 ASP N N 15 124.3 0.1 . 1 . . . . . . . . 5285 1 805 . 1 1 98 98 ASN H H 1 8.52 0.01 . 1 . . . . . . . . 5285 1 806 . 1 1 98 98 ASN HA H 1 4.71 0.01 . 1 . . . . . . . . 5285 1 807 . 1 1 98 98 ASN HB2 H 1 2.57 0.01 . 1 . . . . . . . . 5285 1 808 . 1 1 98 98 ASN HB3 H 1 3.08 0.01 . 1 . . . . . . . . 5285 1 809 . 1 1 98 98 ASN HD21 H 1 7.48 0.01 . 1 . . . . . . . . 5285 1 810 . 1 1 98 98 ASN HD22 H 1 5.49 0.01 . 1 . . . . . . . . 5285 1 811 . 1 1 98 98 ASN N N 15 119.9 0.1 . 1 . . . . . . . . 5285 1 812 . 1 1 98 98 ASN ND2 N 15 109.6 0.1 . 1 . . . . . . . . 5285 1 813 . 1 1 99 99 GLY H H 1 7.74 0.01 . 1 . . . . . . . . 5285 1 814 . 1 1 99 99 GLY HA2 H 1 3.82 0.01 . 1 . . . . . . . . 5285 1 815 . 1 1 99 99 GLY HA3 H 1 4.10 0.01 . 1 . . . . . . . . 5285 1 816 . 1 1 99 99 GLY N N 15 111.8 0.1 . 1 . . . . . . . . 5285 1 817 . 1 1 100 100 ASN H H 1 8.35 0.01 . 1 . . . . . . . . 5285 1 818 . 1 1 100 100 ASN HA H 1 4.66 0.01 . 1 . . . . . . . . 5285 1 819 . 1 1 100 100 ASN HB2 H 1 2.62 0.01 . 1 . . . . . . . . 5285 1 820 . 1 1 100 100 ASN HB3 H 1 3.00 0.01 . 1 . . . . . . . . 5285 1 821 . 1 1 100 100 ASN HD21 H 1 6.65 0.01 . 1 . . . . . . . . 5285 1 822 . 1 1 100 100 ASN HD22 H 1 6.49 0.01 . 1 . . . . . . . . 5285 1 823 . 1 1 100 100 ASN N N 15 122.8 0.1 . 1 . . . . . . . . 5285 1 824 . 1 1 100 100 ASN ND2 N 15 110.7 0.1 . 1 . . . . . . . . 5285 1 825 . 1 1 101 101 GLU H H 1 8.62 0.01 . 1 . . . . . . . . 5285 1 826 . 1 1 101 101 GLU HA H 1 4.77 0.01 . 1 . . . . . . . . 5285 1 827 . 1 1 101 101 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5285 1 828 . 1 1 101 101 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 5285 1 829 . 1 1 101 101 GLU HG2 H 1 2.15 0.01 . 1 . . . . . . . . 5285 1 830 . 1 1 101 101 GLU HG3 H 1 2.34 0.01 . 1 . . . . . . . . 5285 1 831 . 1 1 101 101 GLU N N 15 123.2 0.1 . 1 . . . . . . . . 5285 1 832 . 1 1 102 102 LEU H H 1 8.95 0.01 . 1 . . . . . . . . 5285 1 833 . 1 1 102 102 LEU HA H 1 5.15 0.01 . 1 . . . . . . . . 5285 1 834 . 1 1 102 102 LEU HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5285 1 835 . 1 1 102 102 LEU HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5285 1 836 . 1 1 102 102 LEU HG H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 837 . 1 1 102 102 LEU HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 838 . 1 1 102 102 LEU HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 839 . 1 1 102 102 LEU HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 840 . 1 1 102 102 LEU HD21 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 841 . 1 1 102 102 LEU HD22 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 842 . 1 1 102 102 LEU HD23 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 843 . 1 1 102 102 LEU N N 15 128.8 0.1 . 1 . . . . . . . . 5285 1 844 . 1 1 103 103 ASN H H 1 8.52 0.01 . 1 . . . . . . . . 5285 1 845 . 1 1 103 103 ASN HA H 1 5.58 0.01 . 1 . . . . . . . . 5285 1 846 . 1 1 103 103 ASN HB2 H 1 2.84 0.01 . 2 . . . . . . . . 5285 1 847 . 1 1 103 103 ASN HB3 H 1 2.54 0.01 . 2 . . . . . . . . 5285 1 848 . 1 1 103 103 ASN HD21 H 1 7.41 0.01 . 1 . . . . . . . . 5285 1 849 . 1 1 103 103 ASN HD22 H 1 7.32 0.01 . 1 . . . . . . . . 5285 1 850 . 1 1 103 103 ASN N N 15 127.5 0.1 . 1 . . . . . . . . 5285 1 851 . 1 1 103 103 ASN ND2 N 15 116.4 0.1 . 1 . . . . . . . . 5285 1 852 . 1 1 104 104 THR H H 1 8.96 0.01 . 1 . . . . . . . . 5285 1 853 . 1 1 104 104 THR HA H 1 5.58 0.01 . 1 . . . . . . . . 5285 1 854 . 1 1 104 104 THR HB H 1 4.03 0.01 . 1 . . . . . . . . 5285 1 855 . 1 1 104 104 THR HG21 H 1 0.74 0.01 . 1 . . . . . . . . 5285 1 856 . 1 1 104 104 THR HG22 H 1 0.74 0.01 . 1 . . . . . . . . 5285 1 857 . 1 1 104 104 THR HG23 H 1 0.74 0.01 . 1 . . . . . . . . 5285 1 858 . 1 1 104 104 THR N N 15 120.7 0.1 . 1 . . . . . . . . 5285 1 859 . 1 1 105 105 VAL H H 1 8.13 0.01 . 1 . . . . . . . . 5285 1 860 . 1 1 105 105 VAL HA H 1 5.40 0.01 . 1 . . . . . . . . 5285 1 861 . 1 1 105 105 VAL HB H 1 1.96 0.01 . 1 . . . . . . . . 5285 1 862 . 1 1 105 105 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 5285 1 863 . 1 1 105 105 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 5285 1 864 . 1 1 105 105 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 5285 1 865 . 1 1 105 105 VAL HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5285 1 866 . 1 1 105 105 VAL HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5285 1 867 . 1 1 105 105 VAL HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5285 1 868 . 1 1 105 105 VAL N N 15 130.3 0.1 . 1 . . . . . . . . 5285 1 869 . 1 1 106 106 ARG H H 1 9.34 0.01 . 1 . . . . . . . . 5285 1 870 . 1 1 106 106 ARG HA H 1 5.05 0.01 . 1 . . . . . . . . 5285 1 871 . 1 1 106 106 ARG HB2 H 1 1.17 0.01 . 1 . . . . . . . . 5285 1 872 . 1 1 106 106 ARG HB3 H 1 1.17 0.01 . 1 . . . . . . . . 5285 1 873 . 1 1 106 106 ARG HG2 H 1 1.37 0.01 . 1 . . . . . . . . 5285 1 874 . 1 1 106 106 ARG HG3 H 1 0.94 0.01 . 1 . . . . . . . . 5285 1 875 . 1 1 106 106 ARG HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5285 1 876 . 1 1 106 106 ARG HD3 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 877 . 1 1 106 106 ARG HE H 1 5.95 0.01 . 1 . . . . . . . . 5285 1 878 . 1 1 106 106 ARG N N 15 128.0 0.1 . 1 . . . . . . . . 5285 1 879 . 1 1 106 106 ARG NE N 15 83.5 0.1 . 1 . . . . . . . . 5285 1 880 . 1 1 107 107 GLU H H 1 8.53 0.01 . 1 . . . . . . . . 5285 1 881 . 1 1 107 107 GLU HA H 1 4.84 0.01 . 1 . . . . . . . . 5285 1 882 . 1 1 107 107 GLU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5285 1 883 . 1 1 107 107 GLU HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5285 1 884 . 1 1 107 107 GLU HG2 H 1 2.05 0.01 . 1 . . . . . . . . 5285 1 885 . 1 1 107 107 GLU HG3 H 1 2.05 0.01 . 1 . . . . . . . . 5285 1 886 . 1 1 107 107 GLU N N 15 124.3 0.1 . 1 . . . . . . . . 5285 1 887 . 1 1 108 108 ILE H H 1 8.75 0.01 . 1 . . . . . . . . 5285 1 888 . 1 1 108 108 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 5285 1 889 . 1 1 108 108 ILE HB H 1 1.63 0.01 . 1 . . . . . . . . 5285 1 890 . 1 1 108 108 ILE HG12 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 891 . 1 1 108 108 ILE HG13 H 1 1.09 0.01 . 1 . . . . . . . . 5285 1 892 . 1 1 108 108 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 893 . 1 1 108 108 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 894 . 1 1 108 108 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 895 . 1 1 108 108 ILE HD11 H 1 0.46 0.01 . 1 . . . . . . . . 5285 1 896 . 1 1 108 108 ILE HD12 H 1 0.46 0.01 . 1 . . . . . . . . 5285 1 897 . 1 1 108 108 ILE HD13 H 1 0.46 0.01 . 1 . . . . . . . . 5285 1 898 . 1 1 108 108 ILE N N 15 128.3 0.1 . 1 . . . . . . . . 5285 1 899 . 1 1 109 109 ILE H H 1 8.88 0.01 . 1 . . . . . . . . 5285 1 900 . 1 1 109 109 ILE HA H 1 4.22 0.01 . 1 . . . . . . . . 5285 1 901 . 1 1 109 109 ILE HB H 1 1.68 0.01 . 1 . . . . . . . . 5285 1 902 . 1 1 109 109 ILE HG12 H 1 1.33 0.01 . 2 . . . . . . . . 5285 1 903 . 1 1 109 109 ILE HG13 H 1 0.96 0.01 . 2 . . . . . . . . 5285 1 904 . 1 1 109 109 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 905 . 1 1 109 109 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 906 . 1 1 109 109 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5285 1 907 . 1 1 109 109 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 908 . 1 1 109 109 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 909 . 1 1 109 109 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 5285 1 910 . 1 1 109 109 ILE N N 15 133.5 0.1 . 1 . . . . . . . . 5285 1 911 . 1 1 110 110 GLY H H 1 8.98 0.01 . 1 . . . . . . . . 5285 1 912 . 1 1 110 110 GLY HA2 H 1 3.62 0.01 . 1 . . . . . . . . 5285 1 913 . 1 1 110 110 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 5285 1 914 . 1 1 110 110 GLY N N 15 122.7 0.1 . 1 . . . . . . . . 5285 1 915 . 1 1 111 111 ASP H H 1 8.65 0.01 . 1 . . . . . . . . 5285 1 916 . 1 1 111 111 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 5285 1 917 . 1 1 111 111 ASP HB2 H 1 2.75 0.01 . 1 . . . . . . . . 5285 1 918 . 1 1 111 111 ASP HB3 H 1 2.86 0.01 . 1 . . . . . . . . 5285 1 919 . 1 1 111 111 ASP N N 15 127.8 0.1 . 1 . . . . . . . . 5285 1 920 . 1 1 112 112 GLU H H 1 7.88 0.01 . 1 . . . . . . . . 5285 1 921 . 1 1 112 112 GLU HA H 1 5.12 0.01 . 1 . . . . . . . . 5285 1 922 . 1 1 112 112 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5285 1 923 . 1 1 112 112 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 5285 1 924 . 1 1 112 112 GLU HG2 H 1 2.19 0.01 . 1 . . . . . . . . 5285 1 925 . 1 1 112 112 GLU HG3 H 1 2.45 0.01 . 1 . . . . . . . . 5285 1 926 . 1 1 112 112 GLU N N 15 122.1 0.1 . 1 . . . . . . . . 5285 1 927 . 1 1 113 113 LEU H H 1 7.88 0.01 . 1 . . . . . . . . 5285 1 928 . 1 1 113 113 LEU HA H 1 4.33 0.01 . 1 . . . . . . . . 5285 1 929 . 1 1 113 113 LEU HB2 H 1 -0.85 0.01 . 1 . . . . . . . . 5285 1 930 . 1 1 113 113 LEU HB3 H 1 0.65 0.01 . 1 . . . . . . . . 5285 1 931 . 1 1 113 113 LEU HG H 1 0.75 0.01 . 1 . . . . . . . . 5285 1 932 . 1 1 113 113 LEU HD11 H 1 0.02 0.01 . 1 . . . . . . . . 5285 1 933 . 1 1 113 113 LEU HD12 H 1 0.02 0.01 . 1 . . . . . . . . 5285 1 934 . 1 1 113 113 LEU HD13 H 1 0.02 0.01 . 1 . . . . . . . . 5285 1 935 . 1 1 113 113 LEU HD21 H 1 -0.52 0.01 . 1 . . . . . . . . 5285 1 936 . 1 1 113 113 LEU HD22 H 1 -0.52 0.01 . 1 . . . . . . . . 5285 1 937 . 1 1 113 113 LEU HD23 H 1 -0.52 0.01 . 1 . . . . . . . . 5285 1 938 . 1 1 113 113 LEU N N 15 127.4 0.1 . 1 . . . . . . . . 5285 1 939 . 1 1 114 114 VAL H H 1 9.26 0.01 . 1 . . . . . . . . 5285 1 940 . 1 1 114 114 VAL HA H 1 4.49 0.01 . 1 . . . . . . . . 5285 1 941 . 1 1 114 114 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 5285 1 942 . 1 1 114 114 VAL HG11 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 943 . 1 1 114 114 VAL HG12 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 944 . 1 1 114 114 VAL HG13 H 1 0.77 0.01 . 1 . . . . . . . . 5285 1 945 . 1 1 114 114 VAL HG21 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 946 . 1 1 114 114 VAL HG22 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 947 . 1 1 114 114 VAL HG23 H 1 0.92 0.01 . 1 . . . . . . . . 5285 1 948 . 1 1 114 114 VAL N N 15 132.0 0.1 . 1 . . . . . . . . 5285 1 949 . 1 1 115 115 GLN H H 1 9.33 0.01 . 1 . . . . . . . . 5285 1 950 . 1 1 115 115 GLN HA H 1 5.68 0.01 . 1 . . . . . . . . 5285 1 951 . 1 1 115 115 GLN HB2 H 1 1.57 0.01 . 1 . . . . . . . . 5285 1 952 . 1 1 115 115 GLN HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5285 1 953 . 1 1 115 115 GLN HG2 H 1 2.14 0.01 . 1 . . . . . . . . 5285 1 954 . 1 1 115 115 GLN HG3 H 1 2.14 0.01 . 1 . . . . . . . . 5285 1 955 . 1 1 115 115 GLN HE21 H 1 6.91 0.01 . 1 . . . . . . . . 5285 1 956 . 1 1 115 115 GLN HE22 H 1 6.81 0.01 . 1 . . . . . . . . 5285 1 957 . 1 1 115 115 GLN N N 15 133.6 0.1 . 1 . . . . . . . . 5285 1 958 . 1 1 115 115 GLN NE2 N 15 113.8 0.1 . 1 . . . . . . . . 5285 1 959 . 1 1 116 116 THR H H 1 8.71 0.01 . 1 . . . . . . . . 5285 1 960 . 1 1 116 116 THR HA H 1 4.89 0.01 . 1 . . . . . . . . 5285 1 961 . 1 1 116 116 THR HB H 1 3.85 0.01 . 1 . . . . . . . . 5285 1 962 . 1 1 116 116 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 5285 1 963 . 1 1 116 116 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 5285 1 964 . 1 1 116 116 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 5285 1 965 . 1 1 116 116 THR N N 15 124.2 0.1 . 1 . . . . . . . . 5285 1 966 . 1 1 117 117 TYR H H 1 9.28 0.01 . 1 . . . . . . . . 5285 1 967 . 1 1 117 117 TYR HA H 1 5.17 0.01 . 1 . . . . . . . . 5285 1 968 . 1 1 117 117 TYR HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5285 1 969 . 1 1 117 117 TYR HB3 H 1 2.49 0.01 . 1 . . . . . . . . 5285 1 970 . 1 1 117 117 TYR HD1 H 1 6.96 0.01 . 1 . . . . . . . . 5285 1 971 . 1 1 117 117 TYR HD2 H 1 6.96 0.01 . 1 . . . . . . . . 5285 1 972 . 1 1 117 117 TYR HE1 H 1 6.75 0.01 . 1 . . . . . . . . 5285 1 973 . 1 1 117 117 TYR HE2 H 1 6.75 0.01 . 1 . . . . . . . . 5285 1 974 . 1 1 117 117 TYR N N 15 129.6 0.1 . 1 . . . . . . . . 5285 1 975 . 1 1 118 118 VAL H H 1 9.12 0.01 . 1 . . . . . . . . 5285 1 976 . 1 1 118 118 VAL HA H 1 5.30 0.01 . 1 . . . . . . . . 5285 1 977 . 1 1 118 118 VAL HB H 1 2.01 0.01 . 1 . . . . . . . . 5285 1 978 . 1 1 118 118 VAL HG11 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 979 . 1 1 118 118 VAL HG12 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 980 . 1 1 118 118 VAL HG13 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 981 . 1 1 118 118 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 982 . 1 1 118 118 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 983 . 1 1 118 118 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 5285 1 984 . 1 1 118 118 VAL N N 15 124.1 0.1 . 1 . . . . . . . . 5285 1 985 . 1 1 119 119 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 5285 1 986 . 1 1 119 119 TYR HA H 1 4.84 0.01 . 1 . . . . . . . . 5285 1 987 . 1 1 119 119 TYR HB2 H 1 2.55 0.01 . 1 . . . . . . . . 5285 1 988 . 1 1 119 119 TYR HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5285 1 989 . 1 1 119 119 TYR HD1 H 1 6.86 0.01 . 1 . . . . . . . . 5285 1 990 . 1 1 119 119 TYR HD2 H 1 6.86 0.01 . 1 . . . . . . . . 5285 1 991 . 1 1 119 119 TYR HE1 H 1 6.50 0.01 . 1 . . . . . . . . 5285 1 992 . 1 1 119 119 TYR HE2 H 1 6.50 0.01 . 1 . . . . . . . . 5285 1 993 . 1 1 119 119 TYR N N 15 131.4 0.1 . 1 . . . . . . . . 5285 1 994 . 1 1 120 120 GLU H H 1 9.47 0.01 . 1 . . . . . . . . 5285 1 995 . 1 1 120 120 GLU HA H 1 3.36 0.01 . 1 . . . . . . . . 5285 1 996 . 1 1 120 120 GLU HB2 H 1 1.29 0.01 . 1 . . . . . . . . 5285 1 997 . 1 1 120 120 GLU HB3 H 1 1.90 0.01 . 1 . . . . . . . . 5285 1 998 . 1 1 120 120 GLU HG2 H 1 0.76 0.01 . 1 . . . . . . . . 5285 1 999 . 1 1 120 120 GLU HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5285 1 1000 . 1 1 120 120 GLU N N 15 129.7 0.1 . 1 . . . . . . . . 5285 1 1001 . 1 1 121 121 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 5285 1 1002 . 1 1 121 121 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 5285 1 1003 . 1 1 121 121 GLY HA3 H 1 3.50 0.01 . 1 . . . . . . . . 5285 1 1004 . 1 1 121 121 GLY N N 15 105.7 0.1 . 1 . . . . . . . . 5285 1 1005 . 1 1 122 122 VAL H H 1 8.28 0.01 . 1 . . . . . . . . 5285 1 1006 . 1 1 122 122 VAL HA H 1 4.15 0.01 . 1 . . . . . . . . 5285 1 1007 . 1 1 122 122 VAL HB H 1 2.35 0.01 . 1 . . . . . . . . 5285 1 1008 . 1 1 122 122 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 1009 . 1 1 122 122 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 1010 . 1 1 122 122 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 1011 . 1 1 122 122 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 1012 . 1 1 122 122 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 1013 . 1 1 122 122 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 5285 1 1014 . 1 1 122 122 VAL N N 15 126.9 0.1 . 1 . . . . . . . . 5285 1 1015 . 1 1 123 123 GLU H H 1 8.48 0.01 . 1 . . . . . . . . 5285 1 1016 . 1 1 123 123 GLU HA H 1 5.66 0.01 . 1 . . . . . . . . 5285 1 1017 . 1 1 123 123 GLU HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5285 1 1018 . 1 1 123 123 GLU HB3 H 1 2.00 0.01 . 1 . . . . . . . . 5285 1 1019 . 1 1 123 123 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 5285 1 1020 . 1 1 123 123 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 5285 1 1021 . 1 1 123 123 GLU N N 15 130.6 0.1 . 1 . . . . . . . . 5285 1 1022 . 1 1 124 124 ALA H H 1 9.21 0.01 . 1 . . . . . . . . 5285 1 1023 . 1 1 124 124 ALA HA H 1 5.07 0.01 . 1 . . . . . . . . 5285 1 1024 . 1 1 124 124 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 5285 1 1025 . 1 1 124 124 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 5285 1 1026 . 1 1 124 124 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 5285 1 1027 . 1 1 124 124 ALA N N 15 129.8 0.1 . 1 . . . . . . . . 5285 1 1028 . 1 1 125 125 LYS H H 1 8.56 0.01 . 1 . . . . . . . . 5285 1 1029 . 1 1 125 125 LYS HA H 1 5.48 0.01 . 1 . . . . . . . . 5285 1 1030 . 1 1 125 125 LYS HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5285 1 1031 . 1 1 125 125 LYS HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5285 1 1032 . 1 1 125 125 LYS HG2 H 1 1.23 0.01 . 1 . . . . . . . . 5285 1 1033 . 1 1 125 125 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 5285 1 1034 . 1 1 125 125 LYS HD2 H 1 1.49 0.01 . 1 . . . . . . . . 5285 1 1035 . 1 1 125 125 LYS HD3 H 1 1.49 0.01 . 1 . . . . . . . . 5285 1 1036 . 1 1 125 125 LYS HE2 H 1 2.77 0.01 . 1 . . . . . . . . 5285 1 1037 . 1 1 125 125 LYS HE3 H 1 2.77 0.01 . 1 . . . . . . . . 5285 1 1038 . 1 1 125 125 LYS N N 15 119.3 0.1 . 1 . . . . . . . . 5285 1 1039 . 1 1 126 126 ARG H H 1 9.12 0.01 . 1 . . . . . . . . 5285 1 1040 . 1 1 126 126 ARG HA H 1 4.74 0.01 . 1 . . . . . . . . 5285 1 1041 . 1 1 126 126 ARG HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5285 1 1042 . 1 1 126 126 ARG HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5285 1 1043 . 1 1 126 126 ARG HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5285 1 1044 . 1 1 126 126 ARG HG3 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 1045 . 1 1 126 126 ARG HD2 H 1 2.41 0.01 . 1 . . . . . . . . 5285 1 1046 . 1 1 126 126 ARG HD3 H 1 2.13 0.01 . 1 . . . . . . . . 5285 1 1047 . 1 1 126 126 ARG HE H 1 6.03 0.01 . 1 . . . . . . . . 5285 1 1048 . 1 1 126 126 ARG N N 15 123.2 0.1 . 1 . . . . . . . . 5285 1 1049 . 1 1 126 126 ARG NE N 15 86.4 0.1 . 1 . . . . . . . . 5285 1 1050 . 1 1 127 127 ILE H H 1 8.69 0.01 . 1 . . . . . . . . 5285 1 1051 . 1 1 127 127 ILE HA H 1 4.94 0.01 . 1 . . . . . . . . 5285 1 1052 . 1 1 127 127 ILE HB H 1 1.60 0.01 . 1 . . . . . . . . 5285 1 1053 . 1 1 127 127 ILE HG12 H 1 1.13 0.01 . 1 . . . . . . . . 5285 1 1054 . 1 1 127 127 ILE HG13 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 1055 . 1 1 127 127 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 1056 . 1 1 127 127 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 1057 . 1 1 127 127 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5285 1 1058 . 1 1 127 127 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5285 1 1059 . 1 1 127 127 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5285 1 1060 . 1 1 127 127 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5285 1 1061 . 1 1 127 127 ILE N N 15 126.7 0.1 . 1 . . . . . . . . 5285 1 1062 . 1 1 128 128 PHE H H 1 10.01 0.01 . 1 . . . . . . . . 5285 1 1063 . 1 1 128 128 PHE HA H 1 5.22 0.01 . 1 . . . . . . . . 5285 1 1064 . 1 1 128 128 PHE HB2 H 1 3.21 0.01 . 1 . . . . . . . . 5285 1 1065 . 1 1 128 128 PHE HB3 H 1 3.08 0.01 . 1 . . . . . . . . 5285 1 1066 . 1 1 128 128 PHE HD1 H 1 7.09 0.01 . 1 . . . . . . . . 5285 1 1067 . 1 1 128 128 PHE HD2 H 1 7.09 0.01 . 1 . . . . . . . . 5285 1 1068 . 1 1 128 128 PHE HE1 H 1 6.97 0.01 . 1 . . . . . . . . 5285 1 1069 . 1 1 128 128 PHE HE2 H 1 6.97 0.01 . 1 . . . . . . . . 5285 1 1070 . 1 1 128 128 PHE HZ H 1 7.07 0.01 . 1 . . . . . . . . 5285 1 1071 . 1 1 128 128 PHE N N 15 130.2 0.1 . 1 . . . . . . . . 5285 1 1072 . 1 1 129 129 LYS H H 1 8.90 0.01 . 1 . . . . . . . . 5285 1 1073 . 1 1 129 129 LYS HA H 1 5.28 0.01 . 1 . . . . . . . . 5285 1 1074 . 1 1 129 129 LYS HB2 H 1 2.07 0.01 . 1 . . . . . . . . 5285 1 1075 . 1 1 129 129 LYS HB3 H 1 1.86 0.01 . 1 . . . . . . . . 5285 1 1076 . 1 1 129 129 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 5285 1 1077 . 1 1 129 129 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 5285 1 1078 . 1 1 129 129 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 1079 . 1 1 129 129 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5285 1 1080 . 1 1 129 129 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5285 1 1081 . 1 1 129 129 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5285 1 1082 . 1 1 129 129 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5285 1 1083 . 1 1 130 130 LYS H H 1 8.99 0.01 . 1 . . . . . . . . 5285 1 1084 . 1 1 130 130 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 5285 1 1085 . 1 1 130 130 LYS HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5285 1 1086 . 1 1 130 130 LYS HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5285 1 1087 . 1 1 130 130 LYS HG2 H 1 0.71 0.01 . 1 . . . . . . . . 5285 1 1088 . 1 1 130 130 LYS HG3 H 1 1.00 0.01 . 1 . . . . . . . . 5285 1 1089 . 1 1 130 130 LYS HD2 H 1 1.30 0.01 . 1 . . . . . . . . 5285 1 1090 . 1 1 130 130 LYS HD3 H 1 1.39 0.01 . 1 . . . . . . . . 5285 1 1091 . 1 1 130 130 LYS HE2 H 1 2.70 0.01 . 1 . . . . . . . . 5285 1 1092 . 1 1 130 130 LYS HE3 H 1 2.79 0.01 . 1 . . . . . . . . 5285 1 1093 . 1 1 130 130 LYS N N 15 127.1 0.1 . 1 . . . . . . . . 5285 1 1094 . 1 1 131 131 ASP H H 1 8.09 0.01 . 1 . . . . . . . . 5285 1 1095 . 1 1 131 131 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 5285 1 1096 . 1 1 131 131 ASP HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5285 1 1097 . 1 1 131 131 ASP HB3 H 1 2.32 0.01 . 1 . . . . . . . . 5285 1 1098 . 1 1 131 131 ASP N N 15 133.9 0.1 . 1 . . . . . . . . 5285 1 stop_ save_