data_4919 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4919 _Entry.Title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29: NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-13 _Entry.Accession_date 2000-12-13 _Entry.Last_release_date 2001-08-08 _Entry.Original_release_date 2001-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edvards Liepinsh . . . 4919 2 Michail Baryshev . . . 4919 3 Anatoly Sharipo . . . 4919 4 Magnus Ingelman-Sundberg . . . 4919 5 Gottfried Otting . . . 4919 6 Souren Mkrtchian . . . 4919 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4919 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 910 4919 '13C chemical shifts' 251 4919 '15N chemical shifts' 129 4919 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 . . 2001-08-08 2000-12-13 original author . 4919 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4919 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21345414 _Citation.DOI . _Citation.PubMed_ID 11435111 _Citation.Full_citation . _Citation.Title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29. NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 6 _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 457 _Citation.Page_last 471 _Citation.Year 2001 _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 Edvards Liepinsh . . . 4919 1 2 Michail Baryshev . . . 4919 1 3 Anatoly Sharipo . . . 4919 1 4 Magnus Ingelman-Sundberg . . . 4919 1 5 Gottfried Otting . . . 4919 1 6 Souren Mkrtchian . . . 4919 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nuclear magnetic resonance spectroscopy' 4919 1 'protein structure' 4919 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ERp29 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ERp29 _Assembly.Entry_ID 4919 _Assembly.ID 1 _Assembly.Name 'ERp29 N-domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4919 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 'ERp29 N-domain' 1 $ERp29 . . . native . . . . . 4919 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1G7E . . . . . 'the residue numbering used in the PDB entry 1G7E is plus 20' 4919 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ERp29 N-domain' system 4919 1 ERp29 abbreviation 4919 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERp29 _Entity.Sf_category entity _Entity.Sf_framecode ERp29 _Entity.Entry_ID 4919 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Endoplasmic reticulum protein p29' _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 ; MRGSHHHHHHGSLHTKGALP LDTVTFYKVIPKSKFVLVKF DTQYPYGEKQDEFKRLAENS ASSDDLLVAEVGISDYGDKL NMELSEKYKLDKESYPVFYL FRDGDFENPVPYSGAVKVGA IQRWLKGQGVYLGMPGC ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15506 _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 PDB 1G7E . "Nmr Structure Of N-Domain Of Erp29 Protein" . . . . . 88.32 122 100.00 100.00 3.52e-81 . . . . 4919 1 2 no PDB 2QC7 . "Crystal Structure Of The Protein-disulfide Isomerase Related Chaperone Erp29" . . . . . 91.24 240 98.40 100.00 3.47e-84 . . . . 4919 1 3 no EMBL CAA64397 . "ERp28 [Homo sapiens]" . . . . . 94.89 261 97.69 98.46 3.84e-85 . . . . 4919 1 4 no EMBL CAA71313 . "ERp29 precursor [Rattus norvegicus]" . . . . . 94.89 260 96.92 96.92 7.85e-86 . . . . 4919 1 5 no EMBL CAG46468 . "C12orf8 [Homo sapiens]" . . . . . 94.89 261 97.69 98.46 3.84e-85 . . . . 4919 1 6 no GB AAC15239 . "endoplasmic reticulum protein ERp29 precursor [Rattus norvegicus]" . . . . . 94.89 260 96.92 96.92 7.85e-86 . . . . 4919 1 7 no GB AAF93170 . "endoplasmic reticulum protein 29 precursor [Rattus norvegicus]" . . . . . 94.89 260 96.92 96.92 7.85e-86 . . . . 4919 1 8 no GB AAH91129 . "Endoplasmic reticulum protein 29 [Rattus norvegicus]" . . . . . 94.89 260 96.92 96.92 7.85e-86 . . . . 4919 1 9 no GB AAI01494 . "Endoplasmic reticulum protein 29, isoform 1 precursor [Homo sapiens]" . . . . . 94.89 261 97.69 98.46 3.84e-85 . . . . 4919 1 10 no GB AAI01496 . "Endoplasmic reticulum protein 29 [Homo sapiens]" . . . . . 94.89 261 97.69 98.46 3.84e-85 . . . . 4919 1 11 no REF NP_001182664 . "endoplasmic reticulum protein 29 precursor [Macaca mulatta]" . . . . . 94.89 261 96.92 97.69 4.79e-84 . . . . 4919 1 12 no REF NP_006808 . "endoplasmic reticulum resident protein 29 isoform 1 precursor [Homo sapiens]" . . . . . 94.89 261 97.69 98.46 3.84e-85 . . . . 4919 1 13 no REF NP_446413 . "endoplasmic reticulum resident protein 29 precursor [Rattus norvegicus]" . . . . . 94.89 260 96.92 96.92 7.85e-86 . . . . 4919 1 14 no REF XP_001139225 . "PREDICTED: endoplasmic reticulum resident protein 29 isoform X1 [Pan troglodytes]" . . . . . 94.89 261 97.69 98.46 3.33e-85 . . . . 4919 1 15 no REF XP_002806003 . "PREDICTED: endoplasmic reticulum resident protein 29-like, partial [Macaca mulatta]" . . . . . 81.02 215 98.20 99.10 7.14e-73 . . . . 4919 1 16 no SP P30040 . "RecName: Full=Endoplasmic reticulum resident protein 29; Short=ERp29; AltName: Full=Endoplasmic reticulum resident protein 28; " . . . . . 94.89 261 97.69 98.46 3.84e-85 . . . . 4919 1 17 no SP P52555 . "RecName: Full=Endoplasmic reticulum resident protein 29; Short=ERp29; AltName: Full=Endoplasmic reticulum resident protein 31; " . . . . . 94.89 260 96.92 96.92 7.85e-86 . . . . 4919 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Endoplasmic reticulum protein p29' common 4919 1 ERp29 abbreviation 4919 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4919 1 2 . ARG . 4919 1 3 . GLY . 4919 1 4 . SER . 4919 1 5 . HIS . 4919 1 6 . HIS . 4919 1 7 . HIS . 4919 1 8 . HIS . 4919 1 9 . HIS . 4919 1 10 . HIS . 4919 1 11 . GLY . 4919 1 12 . SER . 4919 1 13 . LEU . 4919 1 14 . HIS . 4919 1 15 . THR . 4919 1 16 . LYS . 4919 1 17 . GLY . 4919 1 18 . ALA . 4919 1 19 . LEU . 4919 1 20 . PRO . 4919 1 21 . LEU . 4919 1 22 . ASP . 4919 1 23 . THR . 4919 1 24 . VAL . 4919 1 25 . THR . 4919 1 26 . PHE . 4919 1 27 . TYR . 4919 1 28 . LYS . 4919 1 29 . VAL . 4919 1 30 . ILE . 4919 1 31 . PRO . 4919 1 32 . LYS . 4919 1 33 . SER . 4919 1 34 . LYS . 4919 1 35 . PHE . 4919 1 36 . VAL . 4919 1 37 . LEU . 4919 1 38 . VAL . 4919 1 39 . LYS . 4919 1 40 . PHE . 4919 1 41 . ASP . 4919 1 42 . THR . 4919 1 43 . GLN . 4919 1 44 . TYR . 4919 1 45 . PRO . 4919 1 46 . TYR . 4919 1 47 . GLY . 4919 1 48 . GLU . 4919 1 49 . LYS . 4919 1 50 . GLN . 4919 1 51 . ASP . 4919 1 52 . GLU . 4919 1 53 . PHE . 4919 1 54 . LYS . 4919 1 55 . ARG . 4919 1 56 . LEU . 4919 1 57 . ALA . 4919 1 58 . GLU . 4919 1 59 . ASN . 4919 1 60 . SER . 4919 1 61 . ALA . 4919 1 62 . SER . 4919 1 63 . SER . 4919 1 64 . ASP . 4919 1 65 . ASP . 4919 1 66 . LEU . 4919 1 67 . LEU . 4919 1 68 . VAL . 4919 1 69 . ALA . 4919 1 70 . GLU . 4919 1 71 . VAL . 4919 1 72 . GLY . 4919 1 73 . ILE . 4919 1 74 . SER . 4919 1 75 . ASP . 4919 1 76 . TYR . 4919 1 77 . GLY . 4919 1 78 . ASP . 4919 1 79 . LYS . 4919 1 80 . LEU . 4919 1 81 . ASN . 4919 1 82 . MET . 4919 1 83 . GLU . 4919 1 84 . LEU . 4919 1 85 . SER . 4919 1 86 . GLU . 4919 1 87 . LYS . 4919 1 88 . TYR . 4919 1 89 . LYS . 4919 1 90 . LEU . 4919 1 91 . ASP . 4919 1 92 . LYS . 4919 1 93 . GLU . 4919 1 94 . SER . 4919 1 95 . TYR . 4919 1 96 . PRO . 4919 1 97 . VAL . 4919 1 98 . PHE . 4919 1 99 . TYR . 4919 1 100 . LEU . 4919 1 101 . PHE . 4919 1 102 . ARG . 4919 1 103 . ASP . 4919 1 104 . GLY . 4919 1 105 . ASP . 4919 1 106 . PHE . 4919 1 107 . GLU . 4919 1 108 . ASN . 4919 1 109 . PRO . 4919 1 110 . VAL . 4919 1 111 . PRO . 4919 1 112 . TYR . 4919 1 113 . SER . 4919 1 114 . GLY . 4919 1 115 . ALA . 4919 1 116 . VAL . 4919 1 117 . LYS . 4919 1 118 . VAL . 4919 1 119 . GLY . 4919 1 120 . ALA . 4919 1 121 . ILE . 4919 1 122 . GLN . 4919 1 123 . ARG . 4919 1 124 . TRP . 4919 1 125 . LEU . 4919 1 126 . LYS . 4919 1 127 . GLY . 4919 1 128 . GLN . 4919 1 129 . GLY . 4919 1 130 . VAL . 4919 1 131 . TYR . 4919 1 132 . LEU . 4919 1 133 . GLY . 4919 1 134 . MET . 4919 1 135 . PRO . 4919 1 136 . GLY . 4919 1 137 . CYS . 4919 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4919 1 . ARG 2 2 4919 1 . GLY 3 3 4919 1 . SER 4 4 4919 1 . HIS 5 5 4919 1 . HIS 6 6 4919 1 . HIS 7 7 4919 1 . HIS 8 8 4919 1 . HIS 9 9 4919 1 . HIS 10 10 4919 1 . GLY 11 11 4919 1 . SER 12 12 4919 1 . LEU 13 13 4919 1 . HIS 14 14 4919 1 . THR 15 15 4919 1 . LYS 16 16 4919 1 . GLY 17 17 4919 1 . ALA 18 18 4919 1 . LEU 19 19 4919 1 . PRO 20 20 4919 1 . LEU 21 21 4919 1 . ASP 22 22 4919 1 . THR 23 23 4919 1 . VAL 24 24 4919 1 . THR 25 25 4919 1 . PHE 26 26 4919 1 . TYR 27 27 4919 1 . LYS 28 28 4919 1 . VAL 29 29 4919 1 . ILE 30 30 4919 1 . PRO 31 31 4919 1 . LYS 32 32 4919 1 . SER 33 33 4919 1 . LYS 34 34 4919 1 . PHE 35 35 4919 1 . VAL 36 36 4919 1 . LEU 37 37 4919 1 . VAL 38 38 4919 1 . LYS 39 39 4919 1 . PHE 40 40 4919 1 . ASP 41 41 4919 1 . THR 42 42 4919 1 . GLN 43 43 4919 1 . TYR 44 44 4919 1 . PRO 45 45 4919 1 . TYR 46 46 4919 1 . GLY 47 47 4919 1 . GLU 48 48 4919 1 . LYS 49 49 4919 1 . GLN 50 50 4919 1 . ASP 51 51 4919 1 . GLU 52 52 4919 1 . PHE 53 53 4919 1 . LYS 54 54 4919 1 . ARG 55 55 4919 1 . LEU 56 56 4919 1 . ALA 57 57 4919 1 . GLU 58 58 4919 1 . ASN 59 59 4919 1 . SER 60 60 4919 1 . ALA 61 61 4919 1 . SER 62 62 4919 1 . SER 63 63 4919 1 . ASP 64 64 4919 1 . ASP 65 65 4919 1 . LEU 66 66 4919 1 . LEU 67 67 4919 1 . VAL 68 68 4919 1 . ALA 69 69 4919 1 . GLU 70 70 4919 1 . VAL 71 71 4919 1 . GLY 72 72 4919 1 . ILE 73 73 4919 1 . SER 74 74 4919 1 . ASP 75 75 4919 1 . TYR 76 76 4919 1 . GLY 77 77 4919 1 . ASP 78 78 4919 1 . LYS 79 79 4919 1 . LEU 80 80 4919 1 . ASN 81 81 4919 1 . MET 82 82 4919 1 . GLU 83 83 4919 1 . LEU 84 84 4919 1 . SER 85 85 4919 1 . GLU 86 86 4919 1 . LYS 87 87 4919 1 . TYR 88 88 4919 1 . LYS 89 89 4919 1 . LEU 90 90 4919 1 . ASP 91 91 4919 1 . LYS 92 92 4919 1 . GLU 93 93 4919 1 . SER 94 94 4919 1 . TYR 95 95 4919 1 . PRO 96 96 4919 1 . VAL 97 97 4919 1 . PHE 98 98 4919 1 . TYR 99 99 4919 1 . LEU 100 100 4919 1 . PHE 101 101 4919 1 . ARG 102 102 4919 1 . ASP 103 103 4919 1 . GLY 104 104 4919 1 . ASP 105 105 4919 1 . PHE 106 106 4919 1 . GLU 107 107 4919 1 . ASN 108 108 4919 1 . PRO 109 109 4919 1 . VAL 110 110 4919 1 . PRO 111 111 4919 1 . TYR 112 112 4919 1 . SER 113 113 4919 1 . GLY 114 114 4919 1 . ALA 115 115 4919 1 . VAL 116 116 4919 1 . LYS 117 117 4919 1 . VAL 118 118 4919 1 . GLY 119 119 4919 1 . ALA 120 120 4919 1 . ILE 121 121 4919 1 . GLN 122 122 4919 1 . ARG 123 123 4919 1 . TRP 124 124 4919 1 . LEU 125 125 4919 1 . LYS 126 126 4919 1 . GLY 127 127 4919 1 . GLN 128 128 4919 1 . GLY 129 129 4919 1 . VAL 130 130 4919 1 . TYR 131 131 4919 1 . LEU 132 132 4919 1 . GLY 133 133 4919 1 . MET 134 134 4919 1 . PRO 135 135 4919 1 . GLY 136 136 4919 1 . CYS 137 137 4919 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 4919 _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 $ERp29 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . liver . . . . . . . . 'endoplasmic reticulum' . . . . . . . . 4919 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 4919 _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 $ERp29 . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli JM109 . . . . . . . . . . . . plasmid . . pQE30 . . . . . . 4919 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4919 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Endoplasmic reticulum protein p29' '[U-15N; U-13C]' . . 1 $ERp29 . . 0.3 . . mM . . . . 4919 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4919 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Endoplasmic reticulum protein p29' . . . 1 $ERp29 . . 0.3 . . mM . . . . 4919 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4919 _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 4.9 0.1 n/a 4919 1 temperature 308 1 K 4919 1 'ionic strength' 0.15 .02 M 4919 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4919 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4919 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4919 _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_1 Bruker DRX . 600 . . . 4919 1 2 NMR_spectrometer_2 Varian UnityPlus . 800 . . . 4919 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 4919 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 2 '2D 1H-1H COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 3 '2D 1H-1H CLEAN TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 4 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 5 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 6 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4919 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 4919 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4919 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H COSY' _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 4919 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H CLEAN 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4919 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4919 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-1H-15N 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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4919 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCA' _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4919 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CO)CA' _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4919 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCO' _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 4919 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4919 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4919 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4919 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4919 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4919 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 1 1 MET HA H 1 4.047 0.02 . 1 . . . . . . . . 4919 1 2 . 1 1 1 1 MET HB2 H 1 2.141 0.02 . 2 . . . . . . . . 4919 1 3 . 1 1 1 1 MET HB3 H 1 2.182 0.02 . 2 . . . . . . . . 4919 1 4 . 1 1 1 1 MET HG2 H 1 2.395 0.02 . 2 . . . . . . . . 4919 1 5 . 1 1 1 1 MET HG3 H 1 2.489 0.02 . 2 . . . . . . . . 4919 1 6 . 1 1 1 1 MET HE1 H 1 2.014 0.02 . 1 . . . . . . . . 4919 1 7 . 1 1 1 1 MET HE2 H 1 2.014 0.02 . 1 . . . . . . . . 4919 1 8 . 1 1 1 1 MET HE3 H 1 2.014 0.02 . 1 . . . . . . . . 4919 1 9 . 1 1 2 2 ARG CA C 13 56.400 0.1 . 1 . . . . . . . . 4919 1 10 . 1 1 2 2 ARG HA H 1 4.393 0.02 . 1 . . . . . . . . 4919 1 11 . 1 1 2 2 ARG HB2 H 1 1.797 0.02 . 2 . . . . . . . . 4919 1 12 . 1 1 2 2 ARG HB3 H 1 1.871 0.02 . 2 . . . . . . . . 4919 1 13 . 1 1 2 2 ARG HG2 H 1 1.685 0.02 . 1 . . . . . . . . 4919 1 14 . 1 1 2 2 ARG HG3 H 1 1.685 0.02 . 1 . . . . . . . . 4919 1 15 . 1 1 2 2 ARG HD2 H 1 3.210 0.02 . 1 . . . . . . . . 4919 1 16 . 1 1 2 2 ARG HD3 H 1 3.210 0.02 . 1 . . . . . . . . 4919 1 17 . 1 1 2 2 ARG HE H 1 7.223 0.02 . 1 . . . . . . . . 4919 1 18 . 1 1 2 2 ARG C C 13 176.200 0.1 . 1 . . . . . . . . 4919 1 19 . 1 1 3 3 GLY N N 15 111.000 0.1 . 1 . . . . . . . . 4919 1 20 . 1 1 3 3 GLY H H 1 8.549 0.02 . 1 . . . . . . . . 4919 1 21 . 1 1 3 3 GLY CA C 13 45.000 0.1 . 1 . . . . . . . . 4919 1 22 . 1 1 3 3 GLY HA2 H 1 3.985 0.02 . 1 . . . . . . . . 4919 1 23 . 1 1 3 3 GLY HA3 H 1 3.985 0.02 . 1 . . . . . . . . 4919 1 24 . 1 1 3 3 GLY C C 13 173.900 0.1 . 1 . . . . . . . . 4919 1 25 . 1 1 4 4 SER N N 15 115.163 0.1 . 1 . . . . . . . . 4919 1 26 . 1 1 4 4 SER H H 1 8.140 0.02 . 1 . . . . . . . . 4919 1 27 . 1 1 4 4 SER CA C 13 57.795 0.1 . 1 . . . . . . . . 4919 1 28 . 1 1 4 4 SER HA H 1 4.367 0.02 . 1 . . . . . . . . 4919 1 29 . 1 1 4 4 SER HB2 H 1 3.721 0.02 . 2 . . . . . . . . 4919 1 30 . 1 1 4 4 SER HB3 H 1 3.754 0.02 . 2 . . . . . . . . 4919 1 31 . 1 1 10 10 HIS C C 13 176.500 0.1 . 1 . . . . . . . . 4919 1 32 . 1 1 11 11 GLY N N 15 114.806 0.1 . 1 . . . . . . . . 4919 1 33 . 1 1 11 11 GLY H H 1 7.890 0.02 . 1 . . . . . . . . 4919 1 34 . 1 1 11 11 GLY CA C 13 44.962 0.1 . 1 . . . . . . . . 4919 1 35 . 1 1 11 11 GLY HA2 H 1 3.928 0.02 . 2 . . . . . . . . 4919 1 36 . 1 1 11 11 GLY HA3 H 1 4.556 0.02 . 2 . . . . . . . . 4919 1 37 . 1 1 11 11 GLY C C 13 173.300 0.1 . 1 . . . . . . . . 4919 1 38 . 1 1 12 12 SER N N 15 119.500 0.1 . 1 . . . . . . . . 4919 1 39 . 1 1 12 12 SER H H 1 8.378 0.02 . 1 . . . . . . . . 4919 1 40 . 1 1 12 12 SER CA C 13 56.800 0.1 . 1 . . . . . . . . 4919 1 41 . 1 1 12 12 SER HA H 1 4.101 0.02 . 1 . . . . . . . . 4919 1 42 . 1 1 12 12 SER HB2 H 1 3.852 0.02 . 2 . . . . . . . . 4919 1 43 . 1 1 12 12 SER HB3 H 1 3.882 0.02 . 2 . . . . . . . . 4919 1 44 . 1 1 12 12 SER C C 13 176.700 0.1 . 1 . . . . . . . . 4919 1 45 . 1 1 13 13 LEU N N 15 117.004 0.1 . 1 . . . . . . . . 4919 1 46 . 1 1 13 13 LEU H H 1 9.019 0.02 . 1 . . . . . . . . 4919 1 47 . 1 1 13 13 LEU CA C 13 54.295 0.1 . 1 . . . . . . . . 4919 1 48 . 1 1 13 13 LEU HA H 1 4.423 0.02 . 1 . . . . . . . . 4919 1 49 . 1 1 13 13 LEU HB2 H 1 1.684 0.02 . 2 . . . . . . . . 4919 1 50 . 1 1 13 13 LEU HB3 H 1 1.602 0.02 . 2 . . . . . . . . 4919 1 51 . 1 1 13 13 LEU HG H 1 1.630 0.02 . 1 . . . . . . . . 4919 1 52 . 1 1 13 13 LEU HD11 H 1 0.862 0.02 . 1 . . . . . . . . 4919 1 53 . 1 1 13 13 LEU HD12 H 1 0.862 0.02 . 1 . . . . . . . . 4919 1 54 . 1 1 13 13 LEU HD13 H 1 0.862 0.02 . 1 . . . . . . . . 4919 1 55 . 1 1 13 13 LEU HD21 H 1 0.907 0.02 . 1 . . . . . . . . 4919 1 56 . 1 1 13 13 LEU HD22 H 1 0.907 0.02 . 1 . . . . . . . . 4919 1 57 . 1 1 13 13 LEU HD23 H 1 0.907 0.02 . 1 . . . . . . . . 4919 1 58 . 1 1 13 13 LEU C C 13 179.200 0.1 . 1 . . . . . . . . 4919 1 59 . 1 1 14 14 HIS N N 15 117.666 0.1 . 1 . . . . . . . . 4919 1 60 . 1 1 14 14 HIS H H 1 8.175 0.02 . 1 . . . . . . . . 4919 1 61 . 1 1 14 14 HIS CA C 13 54.905 0.1 . 1 . . . . . . . . 4919 1 62 . 1 1 14 14 HIS HA H 1 4.820 0.02 . 1 . . . . . . . . 4919 1 63 . 1 1 14 14 HIS HB2 H 1 3.232 0.02 . 1 . . . . . . . . 4919 1 64 . 1 1 14 14 HIS HB3 H 1 3.352 0.02 . 1 . . . . . . . . 4919 1 65 . 1 1 14 14 HIS HD1 H 1 7.344 0.02 . 1 . . . . . . . . 4919 1 66 . 1 1 14 14 HIS HE1 H 1 8.503 0.02 . 1 . . . . . . . . 4919 1 67 . 1 1 14 14 HIS C C 13 173.800 0.1 . 1 . . . . . . . . 4919 1 68 . 1 1 15 15 THR N N 15 124.638 0.1 . 1 . . . . . . . . 4919 1 69 . 1 1 15 15 THR H H 1 9.248 0.02 . 1 . . . . . . . . 4919 1 70 . 1 1 15 15 THR CA C 13 62.217 0.1 . 1 . . . . . . . . 4919 1 71 . 1 1 15 15 THR HA H 1 4.144 0.02 . 1 . . . . . . . . 4919 1 72 . 1 1 15 15 THR HB H 1 4.011 0.02 . 1 . . . . . . . . 4919 1 73 . 1 1 15 15 THR HG21 H 1 0.995 0.02 . 1 . . . . . . . . 4919 1 74 . 1 1 15 15 THR HG22 H 1 0.995 0.02 . 1 . . . . . . . . 4919 1 75 . 1 1 15 15 THR HG23 H 1 0.995 0.02 . 1 . . . . . . . . 4919 1 76 . 1 1 15 15 THR C C 13 173.500 0.1 . 1 . . . . . . . . 4919 1 77 . 1 1 16 16 LYS N N 15 130.219 0.1 . 1 . . . . . . . . 4919 1 78 . 1 1 16 16 LYS H H 1 8.518 0.02 . 1 . . . . . . . . 4919 1 79 . 1 1 16 16 LYS CA C 13 57.447 0.1 . 1 . . . . . . . . 4919 1 80 . 1 1 16 16 LYS HA H 1 4.191 0.02 . 1 . . . . . . . . 4919 1 81 . 1 1 16 16 LYS HB2 H 1 1.418 0.02 . 2 . . . . . . . . 4919 1 82 . 1 1 16 16 LYS HB3 H 1 1.734 0.02 . 2 . . . . . . . . 4919 1 83 . 1 1 16 16 LYS HG2 H 1 1.216 0.02 . 2 . . . . . . . . 4919 1 84 . 1 1 16 16 LYS HG3 H 1 1.350 0.02 . 2 . . . . . . . . 4919 1 85 . 1 1 16 16 LYS HD2 H 1 1.666 0.02 . 1 . . . . . . . . 4919 1 86 . 1 1 16 16 LYS HD3 H 1 1.666 0.02 . 1 . . . . . . . . 4919 1 87 . 1 1 16 16 LYS HE2 H 1 2.990 0.02 . 1 . . . . . . . . 4919 1 88 . 1 1 16 16 LYS HE3 H 1 2.990 0.02 . 1 . . . . . . . . 4919 1 89 . 1 1 16 16 LYS C C 13 178.000 0.1 . 1 . . . . . . . . 4919 1 90 . 1 1 17 17 GLY N N 15 114.603 0.1 . 1 . . . . . . . . 4919 1 91 . 1 1 17 17 GLY H H 1 10.416 0.02 . 1 . . . . . . . . 4919 1 92 . 1 1 17 17 GLY CA C 13 44.518 0.1 . 1 . . . . . . . . 4919 1 93 . 1 1 17 17 GLY HA2 H 1 3.336 0.02 . 2 . . . . . . . . 4919 1 94 . 1 1 17 17 GLY HA3 H 1 4.136 0.02 . 2 . . . . . . . . 4919 1 95 . 1 1 17 17 GLY C C 13 171.800 0.1 . 1 . . . . . . . . 4919 1 96 . 1 1 18 18 ALA N N 15 121.011 0.1 . 1 . . . . . . . . 4919 1 97 . 1 1 18 18 ALA H H 1 8.138 0.02 . 1 . . . . . . . . 4919 1 98 . 1 1 18 18 ALA CA C 13 48.497 0.1 . 1 . . . . . . . . 4919 1 99 . 1 1 18 18 ALA HA H 1 4.903 0.02 . 1 . . . . . . . . 4919 1 100 . 1 1 18 18 ALA HB1 H 1 1.079 0.02 . 1 . . . . . . . . 4919 1 101 . 1 1 18 18 ALA HB2 H 1 1.079 0.02 . 1 . . . . . . . . 4919 1 102 . 1 1 18 18 ALA HB3 H 1 1.079 0.02 . 1 . . . . . . . . 4919 1 103 . 1 1 18 18 ALA C C 13 176.600 0.1 . 1 . . . . . . . . 4919 1 104 . 1 1 19 19 LEU N N 15 125.023 0.1 . 1 . . . . . . . . 4919 1 105 . 1 1 19 19 LEU H H 1 9.111 0.02 . 1 . . . . . . . . 4919 1 106 . 1 1 19 19 LEU CA C 13 51.874 0.1 . 1 . . . . . . . . 4919 1 107 . 1 1 19 19 LEU HA H 1 4.879 0.02 . 1 . . . . . . . . 4919 1 108 . 1 1 19 19 LEU HB2 H 1 1.534 0.02 . 2 . . . . . . . . 4919 1 109 . 1 1 19 19 LEU HB3 H 1 1.678 0.02 . 2 . . . . . . . . 4919 1 110 . 1 1 19 19 LEU HG H 1 1.622 0.02 . 1 . . . . . . . . 4919 1 111 . 1 1 19 19 LEU HD11 H 1 0.773 0.02 . 2 . . . . . . . . 4919 1 112 . 1 1 19 19 LEU HD12 H 1 0.773 0.02 . 2 . . . . . . . . 4919 1 113 . 1 1 19 19 LEU HD13 H 1 0.773 0.02 . 2 . . . . . . . . 4919 1 114 . 1 1 19 19 LEU HD21 H 1 0.893 0.02 . 2 . . . . . . . . 4919 1 115 . 1 1 19 19 LEU HD22 H 1 0.893 0.02 . 2 . . . . . . . . 4919 1 116 . 1 1 19 19 LEU HD23 H 1 0.893 0.02 . 2 . . . . . . . . 4919 1 117 . 1 1 20 20 PRO CA C 13 61.500 0.1 . 1 . . . . . . . . 4919 1 118 . 1 1 20 20 PRO HA H 1 4.353 0.02 . 1 . . . . . . . . 4919 1 119 . 1 1 20 20 PRO HB2 H 1 1.849 0.02 . 2 . . . . . . . . 4919 1 120 . 1 1 20 20 PRO HB3 H 1 2.307 0.02 . 2 . . . . . . . . 4919 1 121 . 1 1 20 20 PRO HG2 H 1 1.969 0.02 . 2 . . . . . . . . 4919 1 122 . 1 1 20 20 PRO HG3 H 1 2.057 0.02 . 2 . . . . . . . . 4919 1 123 . 1 1 20 20 PRO HD2 H 1 3.626 0.02 . 2 . . . . . . . . 4919 1 124 . 1 1 20 20 PRO HD3 H 1 3.838 0.02 . 2 . . . . . . . . 4919 1 125 . 1 1 20 20 PRO C C 13 176.700 0.1 . 1 . . . . . . . . 4919 1 126 . 1 1 21 21 LEU N N 15 123.979 0.1 . 1 . . . . . . . . 4919 1 127 . 1 1 21 21 LEU H H 1 8.487 0.02 . 1 . . . . . . . . 4919 1 128 . 1 1 21 21 LEU CA C 13 53.108 0.1 . 1 . . . . . . . . 4919 1 129 . 1 1 21 21 LEU HA H 1 4.654 0.02 . 1 . . . . . . . . 4919 1 130 . 1 1 21 21 LEU HB2 H 1 1.210 0.02 . 2 . . . . . . . . 4919 1 131 . 1 1 21 21 LEU HB3 H 1 1.252 0.02 . 2 . . . . . . . . 4919 1 132 . 1 1 21 21 LEU HG H 1 1.801 0.02 . 1 . . . . . . . . 4919 1 133 . 1 1 21 21 LEU HD11 H 1 0.551 0.02 . 1 . . . . . . . . 4919 1 134 . 1 1 21 21 LEU HD12 H 1 0.551 0.02 . 1 . . . . . . . . 4919 1 135 . 1 1 21 21 LEU HD13 H 1 0.551 0.02 . 1 . . . . . . . . 4919 1 136 . 1 1 21 21 LEU HD21 H 1 0.632 0.02 . 1 . . . . . . . . 4919 1 137 . 1 1 21 21 LEU HD22 H 1 0.632 0.02 . 1 . . . . . . . . 4919 1 138 . 1 1 21 21 LEU HD23 H 1 0.632 0.02 . 1 . . . . . . . . 4919 1 139 . 1 1 21 21 LEU C C 13 175.400 0.1 . 1 . . . . . . . . 4919 1 140 . 1 1 22 22 ASP N N 15 118.785 0.1 . 1 . . . . . . . . 4919 1 141 . 1 1 22 22 ASP H H 1 7.979 0.02 . 1 . . . . . . . . 4919 1 142 . 1 1 22 22 ASP CA C 13 52.141 0.1 . 1 . . . . . . . . 4919 1 143 . 1 1 22 22 ASP HA H 1 5.335 0.02 . 1 . . . . . . . . 4919 1 144 . 1 1 22 22 ASP HB2 H 1 2.750 0.02 . 1 . . . . . . . . 4919 1 145 . 1 1 22 22 ASP HB3 H 1 3.498 0.02 . 1 . . . . . . . . 4919 1 146 . 1 1 22 22 ASP C C 13 176.500 0.1 . 1 . . . . . . . . 4919 1 147 . 1 1 23 23 THR N N 15 107.516 0.1 . 1 . . . . . . . . 4919 1 148 . 1 1 23 23 THR H H 1 7.740 0.02 . 1 . . . . . . . . 4919 1 149 . 1 1 23 23 THR CA C 13 65.524 0.1 . 1 . . . . . . . . 4919 1 150 . 1 1 23 23 THR HA H 1 3.851 0.02 . 1 . . . . . . . . 4919 1 151 . 1 1 23 23 THR HB H 1 4.480 0.02 . 1 . . . . . . . . 4919 1 152 . 1 1 23 23 THR HG21 H 1 1.475 0.02 . 1 . . . . . . . . 4919 1 153 . 1 1 23 23 THR HG22 H 1 1.475 0.02 . 1 . . . . . . . . 4919 1 154 . 1 1 23 23 THR HG23 H 1 1.475 0.02 . 1 . . . . . . . . 4919 1 155 . 1 1 23 23 THR C C 13 175.000 0.1 . 1 . . . . . . . . 4919 1 156 . 1 1 24 24 VAL N N 15 119.675 0.1 . 1 . . . . . . . . 4919 1 157 . 1 1 24 24 VAL H H 1 8.926 0.02 . 1 . . . . . . . . 4919 1 158 . 1 1 24 24 VAL CA C 13 64.785 0.1 . 1 . . . . . . . . 4919 1 159 . 1 1 24 24 VAL HA H 1 4.282 0.02 . 1 . . . . . . . . 4919 1 160 . 1 1 24 24 VAL HB H 1 2.338 0.02 . 1 . . . . . . . . 4919 1 161 . 1 1 24 24 VAL HG11 H 1 0.986 0.02 . 2 . . . . . . . . 4919 1 162 . 1 1 24 24 VAL HG12 H 1 0.986 0.02 . 2 . . . . . . . . 4919 1 163 . 1 1 24 24 VAL HG13 H 1 0.986 0.02 . 2 . . . . . . . . 4919 1 164 . 1 1 24 24 VAL HG21 H 1 1.014 0.02 . 2 . . . . . . . . 4919 1 165 . 1 1 24 24 VAL HG22 H 1 1.014 0.02 . 2 . . . . . . . . 4919 1 166 . 1 1 24 24 VAL HG23 H 1 1.014 0.02 . 2 . . . . . . . . 4919 1 167 . 1 1 24 24 VAL C C 13 179.600 0.1 . 1 . . . . . . . . 4919 1 168 . 1 1 25 25 THR N N 15 112.028 0.1 . 1 . . . . . . . . 4919 1 169 . 1 1 25 25 THR H H 1 9.297 0.02 . 1 . . . . . . . . 4919 1 170 . 1 1 25 25 THR CA C 13 65.207 0.1 . 1 . . . . . . . . 4919 1 171 . 1 1 25 25 THR HA H 1 3.764 0.02 . 1 . . . . . . . . 4919 1 172 . 1 1 25 25 THR HB H 1 4.267 0.02 . 1 . . . . . . . . 4919 1 173 . 1 1 25 25 THR HG21 H 1 1.224 0.02 . 1 . . . . . . . . 4919 1 174 . 1 1 25 25 THR HG22 H 1 1.224 0.02 . 1 . . . . . . . . 4919 1 175 . 1 1 25 25 THR HG23 H 1 1.224 0.02 . 1 . . . . . . . . 4919 1 176 . 1 1 25 25 THR HG1 H 1 6.746 0.02 . 1 . . . . . . . . 4919 1 177 . 1 1 25 25 THR C C 13 177.400 0.1 . 1 . . . . . . . . 4919 1 178 . 1 1 26 26 PHE N N 15 123.979 0.1 . 1 . . . . . . . . 4919 1 179 . 1 1 26 26 PHE H H 1 9.596 0.02 . 1 . . . . . . . . 4919 1 180 . 1 1 26 26 PHE CA C 13 62.458 0.1 . 1 . . . . . . . . 4919 1 181 . 1 1 26 26 PHE HA H 1 3.913 0.02 . 1 . . . . . . . . 4919 1 182 . 1 1 26 26 PHE HB2 H 1 2.486 0.02 . 1 . . . . . . . . 4919 1 183 . 1 1 26 26 PHE HB3 H 1 3.051 0.02 . 1 . . . . . . . . 4919 1 184 . 1 1 26 26 PHE HD1 H 1 5.905 0.02 . 1 . . . . . . . . 4919 1 185 . 1 1 26 26 PHE HD2 H 1 5.905 0.02 . 1 . . . . . . . . 4919 1 186 . 1 1 26 26 PHE HE1 H 1 6.833 0.02 . 1 . . . . . . . . 4919 1 187 . 1 1 26 26 PHE HE2 H 1 6.833 0.02 . 1 . . . . . . . . 4919 1 188 . 1 1 26 26 PHE HZ H 1 7.239 0.02 . 1 . . . . . . . . 4919 1 189 . 1 1 26 26 PHE C C 13 175.500 0.1 . 1 . . . . . . . . 4919 1 190 . 1 1 27 27 TYR N N 15 111.276 0.1 . 1 . . . . . . . . 4919 1 191 . 1 1 27 27 TYR H H 1 6.470 0.02 . 1 . . . . . . . . 4919 1 192 . 1 1 27 27 TYR CA C 13 59.849 0.1 . 1 . . . . . . . . 4919 1 193 . 1 1 27 27 TYR HA H 1 4.224 0.02 . 1 . . . . . . . . 4919 1 194 . 1 1 27 27 TYR HB2 H 1 2.783 0.02 . 2 . . . . . . . . 4919 1 195 . 1 1 27 27 TYR HB3 H 1 3.204 0.02 . 2 . . . . . . . . 4919 1 196 . 1 1 27 27 TYR HD1 H 1 6.822 0.02 . 1 . . . . . . . . 4919 1 197 . 1 1 27 27 TYR HD2 H 1 6.822 0.02 . 1 . . . . . . . . 4919 1 198 . 1 1 27 27 TYR HE1 H 1 6.564 0.02 . 1 . . . . . . . . 4919 1 199 . 1 1 27 27 TYR HE2 H 1 6.564 0.02 . 1 . . . . . . . . 4919 1 200 . 1 1 27 27 TYR C C 13 176.400 0.1 . 1 . . . . . . . . 4919 1 201 . 1 1 28 28 LYS N N 15 115.065 0.1 . 1 . . . . . . . . 4919 1 202 . 1 1 28 28 LYS H H 1 7.174 0.02 . 1 . . . . . . . . 4919 1 203 . 1 1 28 28 LYS CA C 13 57.500 0.1 . 1 . . . . . . . . 4919 1 204 . 1 1 28 28 LYS HA H 1 4.461 0.02 . 1 . . . . . . . . 4919 1 205 . 1 1 28 28 LYS HB2 H 1 1.851 0.02 . 1 . . . . . . . . 4919 1 206 . 1 1 28 28 LYS HB3 H 1 1.982 0.02 . 1 . . . . . . . . 4919 1 207 . 1 1 28 28 LYS HG2 H 1 1.516 0.02 . 1 . . . . . . . . 4919 1 208 . 1 1 28 28 LYS HG3 H 1 1.516 0.02 . 1 . . . . . . . . 4919 1 209 . 1 1 28 28 LYS HD2 H 1 1.792 0.02 . 1 . . . . . . . . 4919 1 210 . 1 1 28 28 LYS HD3 H 1 1.792 0.02 . 1 . . . . . . . . 4919 1 211 . 1 1 28 28 LYS HE2 H 1 3.072 0.02 . 1 . . . . . . . . 4919 1 212 . 1 1 28 28 LYS HE3 H 1 3.072 0.02 . 1 . . . . . . . . 4919 1 213 . 1 1 28 28 LYS C C 13 178.300 0.1 . 1 . . . . . . . . 4919 1 214 . 1 1 29 29 VAL N N 15 115.897 0.1 . 1 . . . . . . . . 4919 1 215 . 1 1 29 29 VAL H H 1 7.957 0.02 . 1 . . . . . . . . 4919 1 216 . 1 1 29 29 VAL CA C 13 65.007 0.1 . 1 . . . . . . . . 4919 1 217 . 1 1 29 29 VAL HA H 1 3.675 0.02 . 1 . . . . . . . . 4919 1 218 . 1 1 29 29 VAL HB H 1 1.724 0.02 . 1 . . . . . . . . 4919 1 219 . 1 1 29 29 VAL HG11 H 1 0.593 0.02 . 2 . . . . . . . . 4919 1 220 . 1 1 29 29 VAL HG12 H 1 0.593 0.02 . 2 . . . . . . . . 4919 1 221 . 1 1 29 29 VAL HG13 H 1 0.593 0.02 . 2 . . . . . . . . 4919 1 222 . 1 1 29 29 VAL HG21 H 1 0.862 0.02 . 2 . . . . . . . . 4919 1 223 . 1 1 29 29 VAL HG22 H 1 0.862 0.02 . 2 . . . . . . . . 4919 1 224 . 1 1 29 29 VAL HG23 H 1 0.862 0.02 . 2 . . . . . . . . 4919 1 225 . 1 1 29 29 VAL C C 13 176.200 0.1 . 1 . . . . . . . . 4919 1 226 . 1 1 30 30 ILE N N 15 120.662 0.1 . 1 . . . . . . . . 4919 1 227 . 1 1 30 30 ILE H H 1 6.860 0.02 . 1 . . . . . . . . 4919 1 228 . 1 1 30 30 ILE CA C 13 65.749 0.1 . 1 . . . . . . . . 4919 1 229 . 1 1 30 30 ILE HA H 1 3.554 0.02 . 1 . . . . . . . . 4919 1 230 . 1 1 30 30 ILE HB H 1 1.483 0.02 . 1 . . . . . . . . 4919 1 231 . 1 1 30 30 ILE HG21 H 1 -0.029 0.02 . 1 . . . . . . . . 4919 1 232 . 1 1 30 30 ILE HG22 H 1 -0.029 0.02 . 1 . . . . . . . . 4919 1 233 . 1 1 30 30 ILE HG23 H 1 -0.029 0.02 . 1 . . . . . . . . 4919 1 234 . 1 1 30 30 ILE HG12 H 1 0.293 0.02 . 2 . . . . . . . . 4919 1 235 . 1 1 30 30 ILE HG13 H 1 0.395 0.02 . 2 . . . . . . . . 4919 1 236 . 1 1 30 30 ILE HD11 H 1 -0.564 0.02 . 1 . . . . . . . . 4919 1 237 . 1 1 30 30 ILE HD12 H 1 -0.564 0.02 . 1 . . . . . . . . 4919 1 238 . 1 1 30 30 ILE HD13 H 1 -0.564 0.02 . 1 . . . . . . . . 4919 1 239 . 1 1 31 31 PRO CA C 13 64.400 0.1 . 1 . . . . . . . . 4919 1 240 . 1 1 31 31 PRO HA H 1 4.660 0.02 . 1 . . . . . . . . 4919 1 241 . 1 1 31 31 PRO HB2 H 1 1.736 0.02 . 2 . . . . . . . . 4919 1 242 . 1 1 31 31 PRO HB3 H 1 1.918 0.02 . 2 . . . . . . . . 4919 1 243 . 1 1 31 31 PRO HG2 H 1 2.312 0.02 . 2 . . . . . . . . 4919 1 244 . 1 1 31 31 PRO HG3 H 1 2.518 0.02 . 2 . . . . . . . . 4919 1 245 . 1 1 31 31 PRO HD2 H 1 3.084 0.02 . 2 . . . . . . . . 4919 1 246 . 1 1 31 31 PRO HD3 H 1 3.432 0.02 . 2 . . . . . . . . 4919 1 247 . 1 1 31 31 PRO C C 13 177.000 0.1 . 1 . . . . . . . . 4919 1 248 . 1 1 32 32 LYS N N 15 113.905 0.1 . 1 . . . . . . . . 4919 1 249 . 1 1 32 32 LYS H H 1 7.393 0.02 . 1 . . . . . . . . 4919 1 250 . 1 1 32 32 LYS CA C 13 55.387 0.1 . 1 . . . . . . . . 4919 1 251 . 1 1 32 32 LYS HA H 1 4.280 0.02 . 1 . . . . . . . . 4919 1 252 . 1 1 32 32 LYS HB2 H 1 1.699 0.02 . 2 . . . . . . . . 4919 1 253 . 1 1 32 32 LYS HB3 H 1 2.152 0.02 . 2 . . . . . . . . 4919 1 254 . 1 1 32 32 LYS HG2 H 1 1.495 0.02 . 1 . . . . . . . . 4919 1 255 . 1 1 32 32 LYS HG3 H 1 1.495 0.02 . 1 . . . . . . . . 4919 1 256 . 1 1 32 32 LYS C C 13 175.200 0.1 . 1 . . . . . . . . 4919 1 257 . 1 1 33 33 SER N N 15 111.258 0.1 . 1 . . . . . . . . 4919 1 258 . 1 1 33 33 SER H H 1 7.012 0.02 . 1 . . . . . . . . 4919 1 259 . 1 1 33 33 SER CA C 13 55.826 0.1 . 1 . . . . . . . . 4919 1 260 . 1 1 33 33 SER HA H 1 4.575 0.02 . 1 . . . . . . . . 4919 1 261 . 1 1 33 33 SER HB2 H 1 3.207 0.02 . 1 . . . . . . . . 4919 1 262 . 1 1 33 33 SER HB3 H 1 3.386 0.02 . 1 . . . . . . . . 4919 1 263 . 1 1 33 33 SER C C 13 173.500 0.1 . 1 . . . . . . . . 4919 1 264 . 1 1 34 34 LYS N N 15 128.681 0.1 . 1 . . . . . . . . 4919 1 265 . 1 1 34 34 LYS H H 1 8.751 0.02 . 1 . . . . . . . . 4919 1 266 . 1 1 34 34 LYS CA C 13 59.931 0.1 . 1 . . . . . . . . 4919 1 267 . 1 1 34 34 LYS HA H 1 3.791 0.02 . 1 . . . . . . . . 4919 1 268 . 1 1 34 34 LYS HB2 H 1 1.669 0.02 . 1 . . . . . . . . 4919 1 269 . 1 1 34 34 LYS HB3 H 1 1.801 0.02 . 1 . . . . . . . . 4919 1 270 . 1 1 34 34 LYS HG2 H 1 0.710 0.02 . 4 . . . . . . . . 4919 1 271 . 1 1 34 34 LYS HG3 H 1 1.126 0.02 . 4 . . . . . . . . 4919 1 272 . 1 1 34 34 LYS HD2 H 1 1.559 0.02 . 4 . . . . . . . . 4919 1 273 . 1 1 34 34 LYS HD3 H 1 1.559 0.02 . 4 . . . . . . . . 4919 1 274 . 1 1 34 34 LYS HE2 H 1 2.746 0.02 . 2 . . . . . . . . 4919 1 275 . 1 1 34 34 LYS HE3 H 1 2.921 0.02 . 2 . . . . . . . . 4919 1 276 . 1 1 34 34 LYS C C 13 175.900 0.1 . 1 . . . . . . . . 4919 1 277 . 1 1 35 35 PHE N N 15 110.512 0.1 . 1 . . . . . . . . 4919 1 278 . 1 1 35 35 PHE H H 1 7.603 0.02 . 1 . . . . . . . . 4919 1 279 . 1 1 35 35 PHE CA C 13 55.675 0.1 . 1 . . . . . . . . 4919 1 280 . 1 1 35 35 PHE HA H 1 5.745 0.02 . 1 . . . . . . . . 4919 1 281 . 1 1 35 35 PHE HB2 H 1 2.787 0.02 . 1 . . . . . . . . 4919 1 282 . 1 1 35 35 PHE HB3 H 1 3.059 0.02 . 1 . . . . . . . . 4919 1 283 . 1 1 35 35 PHE HD1 H 1 7.130 0.02 . 1 . . . . . . . . 4919 1 284 . 1 1 35 35 PHE HD2 H 1 7.130 0.02 . 1 . . . . . . . . 4919 1 285 . 1 1 35 35 PHE HE1 H 1 7.220 0.02 . 1 . . . . . . . . 4919 1 286 . 1 1 35 35 PHE HE2 H 1 7.220 0.02 . 1 . . . . . . . . 4919 1 287 . 1 1 35 35 PHE C C 13 177.100 0.1 . 1 . . . . . . . . 4919 1 288 . 1 1 36 36 VAL N N 15 122.743 0.1 . 1 . . . . . . . . 4919 1 289 . 1 1 36 36 VAL H H 1 9.127 0.02 . 1 . . . . . . . . 4919 1 290 . 1 1 36 36 VAL CA C 13 60.734 0.1 . 1 . . . . . . . . 4919 1 291 . 1 1 36 36 VAL HA H 1 5.110 0.02 . 1 . . . . . . . . 4919 1 292 . 1 1 36 36 VAL HB H 1 1.919 0.02 . 1 . . . . . . . . 4919 1 293 . 1 1 36 36 VAL HG11 H 1 0.597 0.02 . 1 . . . . . . . . 4919 1 294 . 1 1 36 36 VAL HG12 H 1 0.597 0.02 . 1 . . . . . . . . 4919 1 295 . 1 1 36 36 VAL HG13 H 1 0.597 0.02 . 1 . . . . . . . . 4919 1 296 . 1 1 36 36 VAL HG21 H 1 0.902 0.02 . 1 . . . . . . . . 4919 1 297 . 1 1 36 36 VAL HG22 H 1 0.902 0.02 . 1 . . . . . . . . 4919 1 298 . 1 1 36 36 VAL HG23 H 1 0.902 0.02 . 1 . . . . . . . . 4919 1 299 . 1 1 36 36 VAL C C 13 174.800 0.1 . 1 . . . . . . . . 4919 1 300 . 1 1 37 37 LEU N N 15 130.955 0.1 . 1 . . . . . . . . 4919 1 301 . 1 1 37 37 LEU H H 1 9.067 0.02 . 1 . . . . . . . . 4919 1 302 . 1 1 37 37 LEU CA C 13 53.213 0.1 . 1 . . . . . . . . 4919 1 303 . 1 1 37 37 LEU HA H 1 5.365 0.02 . 1 . . . . . . . . 4919 1 304 . 1 1 37 37 LEU HB2 H 1 1.363 0.02 . 2 . . . . . . . . 4919 1 305 . 1 1 37 37 LEU HB3 H 1 1.438 0.02 . 2 . . . . . . . . 4919 1 306 . 1 1 37 37 LEU HG H 1 1.801 0.02 . 1 . . . . . . . . 4919 1 307 . 1 1 37 37 LEU HD11 H 1 1.088 0.02 . 1 . . . . . . . . 4919 1 308 . 1 1 37 37 LEU HD12 H 1 1.088 0.02 . 1 . . . . . . . . 4919 1 309 . 1 1 37 37 LEU HD13 H 1 1.088 0.02 . 1 . . . . . . . . 4919 1 310 . 1 1 37 37 LEU HD21 H 1 1.231 0.02 . 1 . . . . . . . . 4919 1 311 . 1 1 37 37 LEU HD22 H 1 1.231 0.02 . 1 . . . . . . . . 4919 1 312 . 1 1 37 37 LEU HD23 H 1 1.231 0.02 . 1 . . . . . . . . 4919 1 313 . 1 1 37 37 LEU C C 13 173.700 0.1 . 1 . . . . . . . . 4919 1 314 . 1 1 38 38 VAL N N 15 127.959 0.1 . 1 . . . . . . . . 4919 1 315 . 1 1 38 38 VAL H H 1 9.805 0.02 . 1 . . . . . . . . 4919 1 316 . 1 1 38 38 VAL CA C 13 60.822 0.1 . 1 . . . . . . . . 4919 1 317 . 1 1 38 38 VAL HA H 1 4.362 0.02 . 1 . . . . . . . . 4919 1 318 . 1 1 38 38 VAL HB H 1 2.013 0.02 . 1 . . . . . . . . 4919 1 319 . 1 1 38 38 VAL HG11 H 1 -0.080 0.02 . 1 . . . . . . . . 4919 1 320 . 1 1 38 38 VAL HG12 H 1 -0.080 0.02 . 1 . . . . . . . . 4919 1 321 . 1 1 38 38 VAL HG13 H 1 -0.080 0.02 . 1 . . . . . . . . 4919 1 322 . 1 1 38 38 VAL HG21 H 1 0.776 0.02 . 1 . . . . . . . . 4919 1 323 . 1 1 38 38 VAL HG22 H 1 0.776 0.02 . 1 . . . . . . . . 4919 1 324 . 1 1 38 38 VAL HG23 H 1 0.776 0.02 . 1 . . . . . . . . 4919 1 325 . 1 1 38 38 VAL C C 13 173.900 0.1 . 1 . . . . . . . . 4919 1 326 . 1 1 39 39 LYS N N 15 126.588 0.1 . 1 . . . . . . . . 4919 1 327 . 1 1 39 39 LYS H H 1 8.252 0.02 . 1 . . . . . . . . 4919 1 328 . 1 1 39 39 LYS CA C 13 53.835 0.1 . 1 . . . . . . . . 4919 1 329 . 1 1 39 39 LYS HA H 1 4.477 0.02 . 1 . . . . . . . . 4919 1 330 . 1 1 39 39 LYS HB2 H 1 1.439 0.02 . 2 . . . . . . . . 4919 1 331 . 1 1 39 39 LYS HB3 H 1 1.600 0.02 . 2 . . . . . . . . 4919 1 332 . 1 1 39 39 LYS C C 13 175.300 0.1 . 1 . . . . . . . . 4919 1 333 . 1 1 40 40 PHE N N 15 129.656 0.1 . 1 . . . . . . . . 4919 1 334 . 1 1 40 40 PHE H H 1 9.344 0.02 . 1 . . . . . . . . 4919 1 335 . 1 1 40 40 PHE CA C 13 56.487 0.1 . 1 . . . . . . . . 4919 1 336 . 1 1 40 40 PHE HA H 1 4.908 0.02 . 1 . . . . . . . . 4919 1 337 . 1 1 40 40 PHE HB2 H 1 2.414 0.02 . 1 . . . . . . . . 4919 1 338 . 1 1 40 40 PHE HB3 H 1 2.752 0.02 . 1 . . . . . . . . 4919 1 339 . 1 1 40 40 PHE HD1 H 1 6.841 0.02 . 1 . . . . . . . . 4919 1 340 . 1 1 40 40 PHE HD2 H 1 6.841 0.02 . 1 . . . . . . . . 4919 1 341 . 1 1 40 40 PHE C C 13 174.100 0.1 . 1 . . . . . . . . 4919 1 342 . 1 1 41 41 ASP N N 15 123.273 0.1 . 1 . . . . . . . . 4919 1 343 . 1 1 41 41 ASP H H 1 8.385 0.02 . 1 . . . . . . . . 4919 1 344 . 1 1 41 41 ASP CA C 13 51.092 0.1 . 1 . . . . . . . . 4919 1 345 . 1 1 41 41 ASP HA H 1 4.260 0.02 . 1 . . . . . . . . 4919 1 346 . 1 1 41 41 ASP HB3 H 1 2.632 0.02 . 1 . . . . . . . . 4919 1 347 . 1 1 41 41 ASP HB2 H 1 2.939 0.02 . 1 . . . . . . . . 4919 1 348 . 1 1 41 41 ASP C C 13 174.200 0.1 . 1 . . . . . . . . 4919 1 349 . 1 1 42 42 THR N N 15 110.830 0.1 . 1 . . . . . . . . 4919 1 350 . 1 1 42 42 THR H H 1 8.789 0.02 . 1 . . . . . . . . 4919 1 351 . 1 1 42 42 THR CA C 13 60.766 0.1 . 1 . . . . . . . . 4919 1 352 . 1 1 42 42 THR HA H 1 4.538 0.02 . 1 . . . . . . . . 4919 1 353 . 1 1 42 42 THR HB H 1 4.439 0.02 . 1 . . . . . . . . 4919 1 354 . 1 1 42 42 THR HG21 H 1 1.188 0.02 . 1 . . . . . . . . 4919 1 355 . 1 1 42 42 THR HG22 H 1 1.188 0.02 . 1 . . . . . . . . 4919 1 356 . 1 1 42 42 THR HG23 H 1 1.188 0.02 . 1 . . . . . . . . 4919 1 357 . 1 1 42 42 THR C C 13 173.800 0.1 . 1 . . . . . . . . 4919 1 358 . 1 1 43 43 GLN N N 15 119.522 0.1 . 1 . . . . . . . . 4919 1 359 . 1 1 43 43 GLN H H 1 7.626 0.02 . 1 . . . . . . . . 4919 1 360 . 1 1 43 43 GLN CA C 13 58.103 0.1 . 1 . . . . . . . . 4919 1 361 . 1 1 43 43 GLN HA H 1 3.606 0.02 . 1 . . . . . . . . 4919 1 362 . 1 1 43 43 GLN HB2 H 1 1.532 0.02 . 1 . . . . . . . . 4919 1 363 . 1 1 43 43 GLN HB3 H 1 1.764 0.02 . 1 . . . . . . . . 4919 1 364 . 1 1 43 43 GLN HG2 H 1 1.574 0.02 . 2 . . . . . . . . 4919 1 365 . 1 1 43 43 GLN HG3 H 1 1.841 0.02 . 2 . . . . . . . . 4919 1 366 . 1 1 43 43 GLN NE2 N 15 110.900 0.1 . 1 . . . . . . . . 4919 1 367 . 1 1 43 43 GLN HE21 H 1 6.734 0.02 . 1 . . . . . . . . 4919 1 368 . 1 1 43 43 GLN HE22 H 1 7.242 0.02 . 1 . . . . . . . . 4919 1 369 . 1 1 43 43 GLN C C 13 175.300 0.1 . 1 . . . . . . . . 4919 1 370 . 1 1 44 44 TYR N N 15 115.981 0.1 . 1 . . . . . . . . 4919 1 371 . 1 1 44 44 TYR H H 1 8.133 0.02 . 1 . . . . . . . . 4919 1 372 . 1 1 44 44 TYR CA C 13 54.401 0.1 . 1 . . . . . . . . 4919 1 373 . 1 1 44 44 TYR HA H 1 4.919 0.02 . 1 . . . . . . . . 4919 1 374 . 1 1 44 44 TYR HB2 H 1 2.836 0.02 . 2 . . . . . . . . 4919 1 375 . 1 1 44 44 TYR HB3 H 1 2.986 0.02 . 2 . . . . . . . . 4919 1 376 . 1 1 44 44 TYR HD1 H 1 7.049 0.02 . 1 . . . . . . . . 4919 1 377 . 1 1 44 44 TYR HD2 H 1 7.049 0.02 . 1 . . . . . . . . 4919 1 378 . 1 1 44 44 TYR HE1 H 1 6.718 0.02 . 1 . . . . . . . . 4919 1 379 . 1 1 44 44 TYR HE2 H 1 6.718 0.02 . 1 . . . . . . . . 4919 1 380 . 1 1 45 45 PRO CA C 13 62.800 0.1 . 1 . . . . . . . . 4919 1 381 . 1 1 45 45 PRO HA H 1 4.578 0.02 . 1 . . . . . . . . 4919 1 382 . 1 1 45 45 PRO HB2 H 1 1.496 0.02 . 2 . . . . . . . . 4919 1 383 . 1 1 45 45 PRO HB3 H 1 1.629 0.02 . 2 . . . . . . . . 4919 1 384 . 1 1 45 45 PRO HG2 H 1 1.571 0.02 . 1 . . . . . . . . 4919 1 385 . 1 1 45 45 PRO HG3 H 1 1.571 0.02 . 1 . . . . . . . . 4919 1 386 . 1 1 45 45 PRO HD2 H 1 3.379 0.02 . 1 . . . . . . . . 4919 1 387 . 1 1 45 45 PRO HD3 H 1 3.379 0.02 . 1 . . . . . . . . 4919 1 388 . 1 1 45 45 PRO C C 13 176.500 0.1 . 1 . . . . . . . . 4919 1 389 . 1 1 46 46 TYR N N 15 116.643 0.1 . 1 . . . . . . . . 4919 1 390 . 1 1 46 46 TYR H H 1 8.162 0.02 . 1 . . . . . . . . 4919 1 391 . 1 1 46 46 TYR CA C 13 56.769 0.1 . 1 . . . . . . . . 4919 1 392 . 1 1 46 46 TYR HA H 1 4.422 0.02 . 1 . . . . . . . . 4919 1 393 . 1 1 46 46 TYR HB2 H 1 2.968 0.02 . 1 . . . . . . . . 4919 1 394 . 1 1 46 46 TYR HB3 H 1 2.968 0.02 . 1 . . . . . . . . 4919 1 395 . 1 1 46 46 TYR HD1 H 1 7.058 0.02 . 1 . . . . . . . . 4919 1 396 . 1 1 46 46 TYR HD2 H 1 7.058 0.02 . 1 . . . . . . . . 4919 1 397 . 1 1 46 46 TYR HE1 H 1 6.816 0.02 . 1 . . . . . . . . 4919 1 398 . 1 1 46 46 TYR HE2 H 1 6.816 0.02 . 1 . . . . . . . . 4919 1 399 . 1 1 46 46 TYR C C 13 174.800 0.1 . 1 . . . . . . . . 4919 1 400 . 1 1 47 47 GLY N N 15 111.053 0.1 . 1 . . . . . . . . 4919 1 401 . 1 1 47 47 GLY H H 1 8.641 0.02 . 1 . . . . . . . . 4919 1 402 . 1 1 47 47 GLY CA C 13 43.927 0.1 . 1 . . . . . . . . 4919 1 403 . 1 1 47 47 GLY HA2 H 1 3.801 0.02 . 2 . . . . . . . . 4919 1 404 . 1 1 47 47 GLY HA3 H 1 4.512 0.02 . 2 . . . . . . . . 4919 1 405 . 1 1 47 47 GLY C C 13 174.900 0.1 . 1 . . . . . . . . 4919 1 406 . 1 1 48 48 GLU N N 15 120.190 0.1 . 1 . . . . . . . . 4919 1 407 . 1 1 48 48 GLU H H 1 8.658 0.02 . 1 . . . . . . . . 4919 1 408 . 1 1 48 48 GLU CA C 13 59.581 0.1 . 1 . . . . . . . . 4919 1 409 . 1 1 48 48 GLU HA H 1 4.156 0.02 . 1 . . . . . . . . 4919 1 410 . 1 1 48 48 GLU HB2 H 1 2.169 0.02 . 1 . . . . . . . . 4919 1 411 . 1 1 48 48 GLU HB3 H 1 2.169 0.02 . 1 . . . . . . . . 4919 1 412 . 1 1 48 48 GLU HG2 H 1 2.445 0.02 . 2 . . . . . . . . 4919 1 413 . 1 1 48 48 GLU HG3 H 1 2.499 0.02 . 2 . . . . . . . . 4919 1 414 . 1 1 48 48 GLU C C 13 178.900 0.1 . 1 . . . . . . . . 4919 1 415 . 1 1 49 49 LYS N N 15 118.853 0.1 . 1 . . . . . . . . 4919 1 416 . 1 1 49 49 LYS H H 1 8.647 0.02 . 1 . . . . . . . . 4919 1 417 . 1 1 49 49 LYS CA C 13 58.806 0.1 . 1 . . . . . . . . 4919 1 418 . 1 1 49 49 LYS HA H 1 4.074 0.02 . 1 . . . . . . . . 4919 1 419 . 1 1 49 49 LYS C C 13 179.500 0.1 . 1 . . . . . . . . 4919 1 420 . 1 1 50 50 GLN N N 15 120.900 0.1 . 1 . . . . . . . . 4919 1 421 . 1 1 50 50 GLN H H 1 7.372 0.02 . 1 . . . . . . . . 4919 1 422 . 1 1 50 50 GLN CA C 13 56.800 0.1 . 1 . . . . . . . . 4919 1 423 . 1 1 50 50 GLN HA H 1 4.448 0.02 . 1 . . . . . . . . 4919 1 424 . 1 1 50 50 GLN HB2 H 1 1.872 0.02 . 1 . . . . . . . . 4919 1 425 . 1 1 50 50 GLN HB3 H 1 2.074 0.02 . 1 . . . . . . . . 4919 1 426 . 1 1 50 50 GLN HG2 H 1 2.153 0.02 . 2 . . . . . . . . 4919 1 427 . 1 1 50 50 GLN HG3 H 1 2.362 0.02 . 2 . . . . . . . . 4919 1 428 . 1 1 50 50 GLN NE2 N 15 109.700 0.1 . 1 . . . . . . . . 4919 1 429 . 1 1 50 50 GLN HE21 H 1 7.067 0.02 . 1 . . . . . . . . 4919 1 430 . 1 1 50 50 GLN HE22 H 1 7.181 0.02 . 1 . . . . . . . . 4919 1 431 . 1 1 50 50 GLN C C 13 178.100 0.1 . 1 . . . . . . . . 4919 1 432 . 1 1 51 51 ASP N N 15 121.672 0.1 . 1 . . . . . . . . 4919 1 433 . 1 1 51 51 ASP H H 1 8.137 0.02 . 1 . . . . . . . . 4919 1 434 . 1 1 51 51 ASP CA C 13 57.370 0.1 . 1 . . . . . . . . 4919 1 435 . 1 1 51 51 ASP HA H 1 4.441 0.02 . 1 . . . . . . . . 4919 1 436 . 1 1 51 51 ASP HB2 H 1 2.737 0.02 . 1 . . . . . . . . 4919 1 437 . 1 1 51 51 ASP HB3 H 1 2.934 0.02 . 1 . . . . . . . . 4919 1 438 . 1 1 51 51 ASP C C 13 179.500 0.1 . 1 . . . . . . . . 4919 1 439 . 1 1 52 52 GLU N N 15 119.000 0.1 . 1 . . . . . . . . 4919 1 440 . 1 1 52 52 GLU H H 1 7.902 0.02 . 1 . . . . . . . . 4919 1 441 . 1 1 52 52 GLU CA C 13 58.700 0.1 . 1 . . . . . . . . 4919 1 442 . 1 1 52 52 GLU HA H 1 4.060 0.02 . 1 . . . . . . . . 4919 1 443 . 1 1 52 52 GLU HB3 H 1 1.800 0.02 . 2 . . . . . . . . 4919 1 444 . 1 1 52 52 GLU HB2 H 1 1.880 0.02 . 2 . . . . . . . . 4919 1 445 . 1 1 52 52 GLU HG2 H 1 2.684 0.02 . 2 . . . . . . . . 4919 1 446 . 1 1 52 52 GLU HG3 H 1 2.826 0.02 . 2 . . . . . . . . 4919 1 447 . 1 1 52 52 GLU C C 13 178.200 0.1 . 1 . . . . . . . . 4919 1 448 . 1 1 53 53 PHE N N 15 119.500 0.1 . 1 . . . . . . . . 4919 1 449 . 1 1 53 53 PHE H H 1 7.928 0.02 . 1 . . . . . . . . 4919 1 450 . 1 1 53 53 PHE CA C 13 61.400 0.1 . 1 . . . . . . . . 4919 1 451 . 1 1 53 53 PHE HA H 1 4.459 0.02 . 1 . . . . . . . . 4919 1 452 . 1 1 53 53 PHE HB2 H 1 3.248 0.02 . 2 . . . . . . . . 4919 1 453 . 1 1 53 53 PHE HB3 H 1 3.289 0.02 . 2 . . . . . . . . 4919 1 454 . 1 1 53 53 PHE HD1 H 1 7.176 0.02 . 1 . . . . . . . . 4919 1 455 . 1 1 53 53 PHE HD2 H 1 7.176 0.02 . 1 . . . . . . . . 4919 1 456 . 1 1 53 53 PHE HE1 H 1 6.918 0.02 . 1 . . . . . . . . 4919 1 457 . 1 1 53 53 PHE HE2 H 1 6.918 0.02 . 1 . . . . . . . . 4919 1 458 . 1 1 53 53 PHE HZ H 1 7.075 0.02 . 1 . . . . . . . . 4919 1 459 . 1 1 53 53 PHE C C 13 176.300 0.1 . 1 . . . . . . . . 4919 1 460 . 1 1 54 54 LYS H H 1 8.597 0.02 . 1 . . . . . . . . 4919 1 461 . 1 1 54 54 LYS CA C 13 59.700 0.1 . 1 . . . . . . . . 4919 1 462 . 1 1 54 54 LYS HA H 1 4.062 0.02 . 1 . . . . . . . . 4919 1 463 . 1 1 54 54 LYS HB2 H 1 1.821 0.02 . 1 . . . . . . . . 4919 1 464 . 1 1 54 54 LYS HB3 H 1 1.865 0.02 . 1 . . . . . . . . 4919 1 465 . 1 1 54 54 LYS HG2 H 1 1.489 0.02 . 1 . . . . . . . . 4919 1 466 . 1 1 54 54 LYS HG3 H 1 1.489 0.02 . 1 . . . . . . . . 4919 1 467 . 1 1 54 54 LYS HD2 H 1 1.722 0.02 . 1 . . . . . . . . 4919 1 468 . 1 1 54 54 LYS HD3 H 1 1.722 0.02 . 1 . . . . . . . . 4919 1 469 . 1 1 54 54 LYS HE2 H 1 3.169 0.02 . 1 . . . . . . . . 4919 1 470 . 1 1 54 54 LYS HE3 H 1 3.169 0.02 . 1 . . . . . . . . 4919 1 471 . 1 1 54 54 LYS C C 13 179.500 0.1 . 1 . . . . . . . . 4919 1 472 . 1 1 55 55 ARG N N 15 118.853 0.1 . 1 . . . . . . . . 4919 1 473 . 1 1 55 55 ARG H H 1 7.382 0.02 . 1 . . . . . . . . 4919 1 474 . 1 1 55 55 ARG CA C 13 58.900 0.1 . 1 . . . . . . . . 4919 1 475 . 1 1 55 55 ARG HA H 1 4.091 0.02 . 1 . . . . . . . . 4919 1 476 . 1 1 55 55 ARG HB2 H 1 1.878 0.02 . 1 . . . . . . . . 4919 1 477 . 1 1 55 55 ARG HB3 H 1 2.036 0.02 . 1 . . . . . . . . 4919 1 478 . 1 1 55 55 ARG HG2 H 1 1.697 0.02 . 2 . . . . . . . . 4919 1 479 . 1 1 55 55 ARG HG3 H 1 1.791 0.02 . 2 . . . . . . . . 4919 1 480 . 1 1 55 55 ARG HD2 H 1 3.223 0.02 . 1 . . . . . . . . 4919 1 481 . 1 1 55 55 ARG HD3 H 1 3.223 0.02 . 1 . . . . . . . . 4919 1 482 . 1 1 55 55 ARG HE H 1 7.219 0.02 . 1 . . . . . . . . 4919 1 483 . 1 1 55 55 ARG C C 13 178.200 0.1 . 1 . . . . . . . . 4919 1 484 . 1 1 56 56 LEU N N 15 121.100 0.1 . 1 . . . . . . . . 4919 1 485 . 1 1 56 56 LEU H H 1 7.909 0.02 . 1 . . . . . . . . 4919 1 486 . 1 1 56 56 LEU CA C 13 57.700 0.1 . 1 . . . . . . . . 4919 1 487 . 1 1 56 56 LEU HA H 1 3.773 0.02 . 1 . . . . . . . . 4919 1 488 . 1 1 56 56 LEU HB2 H 1 1.415 0.02 . 1 . . . . . . . . 4919 1 489 . 1 1 56 56 LEU HB3 H 1 1.884 0.02 . 1 . . . . . . . . 4919 1 490 . 1 1 56 56 LEU HG H 1 1.878 0.02 . 1 . . . . . . . . 4919 1 491 . 1 1 56 56 LEU HD11 H 1 0.844 0.02 . 2 . . . . . . . . 4919 1 492 . 1 1 56 56 LEU HD12 H 1 0.844 0.02 . 2 . . . . . . . . 4919 1 493 . 1 1 56 56 LEU HD13 H 1 0.844 0.02 . 2 . . . . . . . . 4919 1 494 . 1 1 56 56 LEU HD21 H 1 0.950 0.02 . 2 . . . . . . . . 4919 1 495 . 1 1 56 56 LEU HD22 H 1 0.950 0.02 . 2 . . . . . . . . 4919 1 496 . 1 1 56 56 LEU HD23 H 1 0.950 0.02 . 2 . . . . . . . . 4919 1 497 . 1 1 56 56 LEU C C 13 179.000 0.1 . 1 . . . . . . . . 4919 1 498 . 1 1 57 57 ALA N N 15 121.287 0.1 . 1 . . . . . . . . 4919 1 499 . 1 1 57 57 ALA H H 1 8.429 0.02 . 1 . . . . . . . . 4919 1 500 . 1 1 57 57 ALA CA C 13 55.168 0.1 . 1 . . . . . . . . 4919 1 501 . 1 1 57 57 ALA HA H 1 3.522 0.02 . 1 . . . . . . . . 4919 1 502 . 1 1 57 57 ALA HB1 H 1 0.837 0.02 . 1 . . . . . . . . 4919 1 503 . 1 1 57 57 ALA HB2 H 1 0.837 0.02 . 1 . . . . . . . . 4919 1 504 . 1 1 57 57 ALA HB3 H 1 0.837 0.02 . 1 . . . . . . . . 4919 1 505 . 1 1 57 57 ALA C C 13 180.500 0.1 . 1 . . . . . . . . 4919 1 506 . 1 1 58 58 GLU N N 15 118.850 0.1 . 1 . . . . . . . . 4919 1 507 . 1 1 58 58 GLU H H 1 7.948 0.02 . 1 . . . . . . . . 4919 1 508 . 1 1 58 58 GLU CA C 13 57.917 0.1 . 1 . . . . . . . . 4919 1 509 . 1 1 58 58 GLU HA H 1 3.911 0.02 . 1 . . . . . . . . 4919 1 510 . 1 1 58 58 GLU HB2 H 1 2.064 0.02 . 2 . . . . . . . . 4919 1 511 . 1 1 58 58 GLU HB3 H 1 2.172 0.02 . 2 . . . . . . . . 4919 1 512 . 1 1 58 58 GLU HG2 H 1 2.309 0.02 . 2 . . . . . . . . 4919 1 513 . 1 1 58 58 GLU HG3 H 1 2.370 0.02 . 2 . . . . . . . . 4919 1 514 . 1 1 58 58 GLU C C 13 176.500 0.1 . 1 . . . . . . . . 4919 1 515 . 1 1 59 59 ASN N N 15 117.739 0.1 . 1 . . . . . . . . 4919 1 516 . 1 1 59 59 ASN H H 1 8.176 0.02 . 1 . . . . . . . . 4919 1 517 . 1 1 59 59 ASN CA C 13 54.588 0.1 . 1 . . . . . . . . 4919 1 518 . 1 1 59 59 ASN HA H 1 4.562 0.02 . 1 . . . . . . . . 4919 1 519 . 1 1 59 59 ASN HB2 H 1 2.807 0.02 . 1 . . . . . . . . 4919 1 520 . 1 1 59 59 ASN HB3 H 1 2.890 0.02 . 1 . . . . . . . . 4919 1 521 . 1 1 59 59 ASN ND2 N 15 109.600 0.1 . 1 . . . . . . . . 4919 1 522 . 1 1 59 59 ASN HD21 H 1 6.791 0.02 . 1 . . . . . . . . 4919 1 523 . 1 1 59 59 ASN HD22 H 1 7.598 0.02 . 1 . . . . . . . . 4919 1 524 . 1 1 59 59 ASN C C 13 177.500 0.1 . 1 . . . . . . . . 4919 1 525 . 1 1 60 60 SER N N 15 114.619 0.1 . 1 . . . . . . . . 4919 1 526 . 1 1 60 60 SER H H 1 7.792 0.02 . 1 . . . . . . . . 4919 1 527 . 1 1 60 60 SER CA C 13 60.515 0.1 . 1 . . . . . . . . 4919 1 528 . 1 1 60 60 SER HA H 1 4.312 0.02 . 1 . . . . . . . . 4919 1 529 . 1 1 60 60 SER HB2 H 1 3.757 0.02 . 2 . . . . . . . . 4919 1 530 . 1 1 60 60 SER HB3 H 1 3.867 0.02 . 2 . . . . . . . . 4919 1 531 . 1 1 60 60 SER C C 13 175.500 0.1 . 1 . . . . . . . . 4919 1 532 . 1 1 61 61 ALA N N 15 125.926 0.1 . 1 . . . . . . . . 4919 1 533 . 1 1 61 61 ALA H H 1 7.504 0.02 . 1 . . . . . . . . 4919 1 534 . 1 1 61 61 ALA CA C 13 54.684 0.1 . 1 . . . . . . . . 4919 1 535 . 1 1 61 61 ALA HA H 1 4.102 0.02 . 1 . . . . . . . . 4919 1 536 . 1 1 61 61 ALA HB1 H 1 1.595 0.02 . 1 . . . . . . . . 4919 1 537 . 1 1 61 61 ALA HB2 H 1 1.595 0.02 . 1 . . . . . . . . 4919 1 538 . 1 1 61 61 ALA HB3 H 1 1.595 0.02 . 1 . . . . . . . . 4919 1 539 . 1 1 61 61 ALA C C 13 178.500 0.1 . 1 . . . . . . . . 4919 1 540 . 1 1 62 62 SER N N 15 110.115 0.1 . 1 . . . . . . . . 4919 1 541 . 1 1 62 62 SER H H 1 7.817 0.02 . 1 . . . . . . . . 4919 1 542 . 1 1 62 62 SER CA C 13 58.678 0.1 . 1 . . . . . . . . 4919 1 543 . 1 1 62 62 SER HA H 1 4.447 0.02 . 1 . . . . . . . . 4919 1 544 . 1 1 62 62 SER HB2 H 1 3.924 0.02 . 1 . . . . . . . . 4919 1 545 . 1 1 62 62 SER HB3 H 1 4.024 0.02 . 1 . . . . . . . . 4919 1 546 . 1 1 62 62 SER C C 13 173.900 0.1 . 1 . . . . . . . . 4919 1 547 . 1 1 63 63 SER N N 15 115.733 0.1 . 1 . . . . . . . . 4919 1 548 . 1 1 63 63 SER H H 1 7.429 0.02 . 1 . . . . . . . . 4919 1 549 . 1 1 63 63 SER CA C 13 56.571 0.1 . 1 . . . . . . . . 4919 1 550 . 1 1 63 63 SER HA H 1 4.610 0.02 . 1 . . . . . . . . 4919 1 551 . 1 1 63 63 SER HB2 H 1 3.811 0.02 . 2 . . . . . . . . 4919 1 552 . 1 1 63 63 SER HB3 H 1 3.854 0.02 . 2 . . . . . . . . 4919 1 553 . 1 1 63 63 SER C C 13 175.100 0.1 . 1 . . . . . . . . 4919 1 554 . 1 1 64 64 ASP N N 15 126.491 0.1 . 1 . . . . . . . . 4919 1 555 . 1 1 64 64 ASP H H 1 8.859 0.02 . 1 . . . . . . . . 4919 1 556 . 1 1 64 64 ASP CA C 13 55.744 0.1 . 1 . . . . . . . . 4919 1 557 . 1 1 64 64 ASP HA H 1 4.638 0.02 . 1 . . . . . . . . 4919 1 558 . 1 1 64 64 ASP HB2 H 1 2.734 0.02 . 2 . . . . . . . . 4919 1 559 . 1 1 64 64 ASP HB3 H 1 2.793 0.02 . 2 . . . . . . . . 4919 1 560 . 1 1 64 64 ASP C C 13 177.200 0.1 . 1 . . . . . . . . 4919 1 561 . 1 1 65 65 ASP N N 15 116.679 0.1 . 1 . . . . . . . . 4919 1 562 . 1 1 65 65 ASP H H 1 8.386 0.02 . 1 . . . . . . . . 4919 1 563 . 1 1 65 65 ASP CA C 13 54.248 0.1 . 1 . . . . . . . . 4919 1 564 . 1 1 65 65 ASP HA H 1 4.845 0.02 . 1 . . . . . . . . 4919 1 565 . 1 1 65 65 ASP HB2 H 1 2.921 0.02 . 1 . . . . . . . . 4919 1 566 . 1 1 65 65 ASP HB3 H 1 3.019 0.02 . 1 . . . . . . . . 4919 1 567 . 1 1 65 65 ASP C C 13 173.700 0.1 . 1 . . . . . . . . 4919 1 568 . 1 1 66 66 LEU N N 15 118.580 0.1 . 1 . . . . . . . . 4919 1 569 . 1 1 66 66 LEU H H 1 7.177 0.02 . 1 . . . . . . . . 4919 1 570 . 1 1 66 66 LEU CA C 13 53.766 0.1 . 1 . . . . . . . . 4919 1 571 . 1 1 66 66 LEU HA H 1 4.965 0.02 . 1 . . . . . . . . 4919 1 572 . 1 1 66 66 LEU HB2 H 1 1.061 0.02 . 2 . . . . . . . . 4919 1 573 . 1 1 66 66 LEU HB3 H 1 1.786 0.02 . 2 . . . . . . . . 4919 1 574 . 1 1 66 66 LEU HG H 1 1.235 0.02 . 1 . . . . . . . . 4919 1 575 . 1 1 66 66 LEU HD11 H 1 0.672 0.02 . 1 . . . . . . . . 4919 1 576 . 1 1 66 66 LEU HD12 H 1 0.672 0.02 . 1 . . . . . . . . 4919 1 577 . 1 1 66 66 LEU HD13 H 1 0.672 0.02 . 1 . . . . . . . . 4919 1 578 . 1 1 66 66 LEU HD21 H 1 0.764 0.02 . 1 . . . . . . . . 4919 1 579 . 1 1 66 66 LEU HD22 H 1 0.764 0.02 . 1 . . . . . . . . 4919 1 580 . 1 1 66 66 LEU HD23 H 1 0.764 0.02 . 1 . . . . . . . . 4919 1 581 . 1 1 66 66 LEU C C 13 174.900 0.1 . 1 . . . . . . . . 4919 1 582 . 1 1 67 67 LEU N N 15 125.985 0.1 . 1 . . . . . . . . 4919 1 583 . 1 1 67 67 LEU H H 1 7.763 0.02 . 1 . . . . . . . . 4919 1 584 . 1 1 67 67 LEU CA C 13 53.083 0.1 . 1 . . . . . . . . 4919 1 585 . 1 1 67 67 LEU HA H 1 4.739 0.02 . 1 . . . . . . . . 4919 1 586 . 1 1 67 67 LEU HB3 H 1 1.517 0.02 . 2 . . . . . . . . 4919 1 587 . 1 1 67 67 LEU HB2 H 1 1.621 0.02 . 2 . . . . . . . . 4919 1 588 . 1 1 67 67 LEU HG H 1 1.614 0.02 . 1 . . . . . . . . 4919 1 589 . 1 1 67 67 LEU HD11 H 1 0.764 0.02 . 2 . . . . . . . . 4919 1 590 . 1 1 67 67 LEU HD12 H 1 0.764 0.02 . 2 . . . . . . . . 4919 1 591 . 1 1 67 67 LEU HD13 H 1 0.764 0.02 . 2 . . . . . . . . 4919 1 592 . 1 1 67 67 LEU HD21 H 1 0.899 0.02 . 2 . . . . . . . . 4919 1 593 . 1 1 67 67 LEU HD22 H 1 0.899 0.02 . 2 . . . . . . . . 4919 1 594 . 1 1 67 67 LEU HD23 H 1 0.899 0.02 . 2 . . . . . . . . 4919 1 595 . 1 1 67 67 LEU C C 13 174.500 0.1 . 1 . . . . . . . . 4919 1 596 . 1 1 68 68 VAL N N 15 125.420 0.1 . 1 . . . . . . . . 4919 1 597 . 1 1 68 68 VAL H H 1 9.367 0.02 . 1 . . . . . . . . 4919 1 598 . 1 1 68 68 VAL CA C 13 61.690 0.1 . 1 . . . . . . . . 4919 1 599 . 1 1 68 68 VAL HA H 1 4.755 0.02 . 1 . . . . . . . . 4919 1 600 . 1 1 68 68 VAL HB H 1 2.103 0.02 . 1 . . . . . . . . 4919 1 601 . 1 1 68 68 VAL HG11 H 1 0.844 0.02 . 1 . . . . . . . . 4919 1 602 . 1 1 68 68 VAL HG12 H 1 0.844 0.02 . 1 . . . . . . . . 4919 1 603 . 1 1 68 68 VAL HG13 H 1 0.844 0.02 . 1 . . . . . . . . 4919 1 604 . 1 1 68 68 VAL HG21 H 1 0.762 0.02 . 1 . . . . . . . . 4919 1 605 . 1 1 68 68 VAL HG22 H 1 0.762 0.02 . 1 . . . . . . . . 4919 1 606 . 1 1 68 68 VAL HG23 H 1 0.762 0.02 . 1 . . . . . . . . 4919 1 607 . 1 1 68 68 VAL C C 13 173.900 0.1 . 1 . . . . . . . . 4919 1 608 . 1 1 69 69 ALA N N 15 129.487 0.1 . 1 . . . . . . . . 4919 1 609 . 1 1 69 69 ALA H H 1 9.632 0.02 . 1 . . . . . . . . 4919 1 610 . 1 1 69 69 ALA CA C 13 49.865 0.1 . 1 . . . . . . . . 4919 1 611 . 1 1 69 69 ALA HA H 1 5.380 0.02 . 1 . . . . . . . . 4919 1 612 . 1 1 69 69 ALA HB1 H 1 1.256 0.02 . 1 . . . . . . . . 4919 1 613 . 1 1 69 69 ALA HB2 H 1 1.256 0.02 . 1 . . . . . . . . 4919 1 614 . 1 1 69 69 ALA HB3 H 1 1.256 0.02 . 1 . . . . . . . . 4919 1 615 . 1 1 69 69 ALA C C 13 174.700 0.1 . 1 . . . . . . . . 4919 1 616 . 1 1 70 70 GLU N N 15 117.100 0.1 . 1 . . . . . . . . 4919 1 617 . 1 1 70 70 GLU H H 1 8.535 0.02 . 1 . . . . . . . . 4919 1 618 . 1 1 70 70 GLU HA H 1 5.044 0.02 . 1 . . . . . . . . 4919 1 619 . 1 1 70 70 GLU HB2 H 1 1.853 0.02 . 1 . . . . . . . . 4919 1 620 . 1 1 70 70 GLU HB3 H 1 1.853 0.02 . 1 . . . . . . . . 4919 1 621 . 1 1 70 70 GLU HG2 H 1 2.041 0.02 . 2 . . . . . . . . 4919 1 622 . 1 1 70 70 GLU HG3 H 1 2.135 0.02 . 2 . . . . . . . . 4919 1 623 . 1 1 70 70 GLU C C 13 174.200 0.1 . 1 . . . . . . . . 4919 1 624 . 1 1 71 71 VAL N N 15 124.747 0.1 . 1 . . . . . . . . 4919 1 625 . 1 1 71 71 VAL H H 1 8.597 0.02 . 1 . . . . . . . . 4919 1 626 . 1 1 71 71 VAL CA C 13 60.909 0.1 . 1 . . . . . . . . 4919 1 627 . 1 1 71 71 VAL HA H 1 3.630 0.02 . 1 . . . . . . . . 4919 1 628 . 1 1 71 71 VAL HB H 1 1.886 0.02 . 1 . . . . . . . . 4919 1 629 . 1 1 71 71 VAL HG11 H 1 0.838 0.02 . 2 . . . . . . . . 4919 1 630 . 1 1 71 71 VAL HG12 H 1 0.838 0.02 . 2 . . . . . . . . 4919 1 631 . 1 1 71 71 VAL HG13 H 1 0.838 0.02 . 2 . . . . . . . . 4919 1 632 . 1 1 71 71 VAL HG21 H 1 0.997 0.02 . 2 . . . . . . . . 4919 1 633 . 1 1 71 71 VAL HG22 H 1 0.997 0.02 . 2 . . . . . . . . 4919 1 634 . 1 1 71 71 VAL HG23 H 1 0.997 0.02 . 2 . . . . . . . . 4919 1 635 . 1 1 71 71 VAL C C 13 173.900 0.1 . 1 . . . . . . . . 4919 1 636 . 1 1 72 72 GLY N N 15 115.065 0.1 . 1 . . . . . . . . 4919 1 637 . 1 1 72 72 GLY H H 1 8.561 0.02 . 1 . . . . . . . . 4919 1 638 . 1 1 72 72 GLY CA C 13 44.430 0.1 . 1 . . . . . . . . 4919 1 639 . 1 1 72 72 GLY HA2 H 1 3.108 0.02 . 2 . . . . . . . . 4919 1 640 . 1 1 72 72 GLY HA3 H 1 4.210 0.02 . 2 . . . . . . . . 4919 1 641 . 1 1 72 72 GLY C C 13 173.800 0.1 . 1 . . . . . . . . 4919 1 642 . 1 1 73 73 ILE N N 15 126.876 0.1 . 1 . . . . . . . . 4919 1 643 . 1 1 73 73 ILE H H 1 8.880 0.02 . 1 . . . . . . . . 4919 1 644 . 1 1 73 73 ILE CA C 13 60.142 0.1 . 1 . . . . . . . . 4919 1 645 . 1 1 73 73 ILE HA H 1 4.498 0.02 . 1 . . . . . . . . 4919 1 646 . 1 1 73 73 ILE HB H 1 1.529 0.02 . 1 . . . . . . . . 4919 1 647 . 1 1 73 73 ILE HG21 H 1 0.804 0.02 . 1 . . . . . . . . 4919 1 648 . 1 1 73 73 ILE HG22 H 1 0.804 0.02 . 1 . . . . . . . . 4919 1 649 . 1 1 73 73 ILE HG23 H 1 0.804 0.02 . 1 . . . . . . . . 4919 1 650 . 1 1 73 73 ILE HG12 H 1 0.894 0.02 . 2 . . . . . . . . 4919 1 651 . 1 1 73 73 ILE HG13 H 1 1.431 0.02 . 2 . . . . . . . . 4919 1 652 . 1 1 73 73 ILE HD11 H 1 0.750 0.02 . 1 . . . . . . . . 4919 1 653 . 1 1 73 73 ILE HD12 H 1 0.750 0.02 . 1 . . . . . . . . 4919 1 654 . 1 1 73 73 ILE HD13 H 1 0.750 0.02 . 1 . . . . . . . . 4919 1 655 . 1 1 73 73 ILE C C 13 174.700 0.1 . 1 . . . . . . . . 4919 1 656 . 1 1 74 74 SER N N 15 116.600 0.1 . 1 . . . . . . . . 4919 1 657 . 1 1 74 74 SER H H 1 8.524 0.02 . 1 . . . . . . . . 4919 1 658 . 1 1 74 74 SER CA C 13 57.000 0.1 . 1 . . . . . . . . 4919 1 659 . 1 1 74 74 SER HA H 1 4.720 0.02 . 1 . . . . . . . . 4919 1 660 . 1 1 74 74 SER HB2 H 1 3.744 0.02 . 2 . . . . . . . . 4919 1 661 . 1 1 74 74 SER HB3 H 1 3.877 0.02 . 2 . . . . . . . . 4919 1 662 . 1 1 74 74 SER C C 13 173.200 0.1 . 1 . . . . . . . . 4919 1 663 . 1 1 75 75 ASP N N 15 122.196 0.1 . 1 . . . . . . . . 4919 1 664 . 1 1 75 75 ASP H H 1 8.302 0.02 . 1 . . . . . . . . 4919 1 665 . 1 1 75 75 ASP CA C 13 52.791 0.1 . 1 . . . . . . . . 4919 1 666 . 1 1 75 75 ASP HA H 1 4.798 0.02 . 1 . . . . . . . . 4919 1 667 . 1 1 75 75 ASP HB2 H 1 2.562 0.02 . 1 . . . . . . . . 4919 1 668 . 1 1 75 75 ASP HB3 H 1 2.789 0.02 . 1 . . . . . . . . 4919 1 669 . 1 1 75 75 ASP C C 13 175.300 0.1 . 1 . . . . . . . . 4919 1 670 . 1 1 76 76 TYR N N 15 117.846 0.1 . 1 . . . . . . . . 4919 1 671 . 1 1 76 76 TYR H H 1 7.824 0.02 . 1 . . . . . . . . 4919 1 672 . 1 1 76 76 TYR CA C 13 56.132 0.1 . 1 . . . . . . . . 4919 1 673 . 1 1 76 76 TYR HA H 1 4.745 0.02 . 1 . . . . . . . . 4919 1 674 . 1 1 76 76 TYR HB2 H 1 2.993 0.02 . 1 . . . . . . . . 4919 1 675 . 1 1 76 76 TYR HB3 H 1 3.057 0.02 . 1 . . . . . . . . 4919 1 676 . 1 1 76 76 TYR HD1 H 1 7.158 0.02 . 1 . . . . . . . . 4919 1 677 . 1 1 76 76 TYR HD2 H 1 7.158 0.02 . 1 . . . . . . . . 4919 1 678 . 1 1 76 76 TYR HE1 H 1 6.920 0.02 . 1 . . . . . . . . 4919 1 679 . 1 1 76 76 TYR HE2 H 1 6.920 0.02 . 1 . . . . . . . . 4919 1 680 . 1 1 76 76 TYR C C 13 176.200 0.1 . 1 . . . . . . . . 4919 1 681 . 1 1 77 77 GLY N N 15 111.728 0.1 . 1 . . . . . . . . 4919 1 682 . 1 1 77 77 GLY H H 1 8.725 0.02 . 1 . . . . . . . . 4919 1 683 . 1 1 77 77 GLY CA C 13 46.710 0.1 . 1 . . . . . . . . 4919 1 684 . 1 1 77 77 GLY HA2 H 1 3.658 0.02 . 1 . . . . . . . . 4919 1 685 . 1 1 77 77 GLY HA3 H 1 3.944 0.02 . 1 . . . . . . . . 4919 1 686 . 1 1 77 77 GLY C C 13 174.700 0.1 . 1 . . . . . . . . 4919 1 687 . 1 1 78 78 ASP N N 15 125.697 0.1 . 1 . . . . . . . . 4919 1 688 . 1 1 78 78 ASP H H 1 8.499 0.02 . 1 . . . . . . . . 4919 1 689 . 1 1 78 78 ASP CA C 13 54.401 0.1 . 1 . . . . . . . . 4919 1 690 . 1 1 78 78 ASP HA H 1 4.443 0.02 . 1 . . . . . . . . 4919 1 691 . 1 1 78 78 ASP HB2 H 1 2.751 0.02 . 1 . . . . . . . . 4919 1 692 . 1 1 78 78 ASP HB3 H 1 2.751 0.02 . 1 . . . . . . . . 4919 1 693 . 1 1 78 78 ASP C C 13 176.100 0.1 . 1 . . . . . . . . 4919 1 694 . 1 1 79 79 LYS N N 15 117.962 0.1 . 1 . . . . . . . . 4919 1 695 . 1 1 79 79 LYS H H 1 8.261 0.02 . 1 . . . . . . . . 4919 1 696 . 1 1 79 79 LYS CA C 13 56.942 0.1 . 1 . . . . . . . . 4919 1 697 . 1 1 79 79 LYS HA H 1 3.694 0.02 . 1 . . . . . . . . 4919 1 698 . 1 1 79 79 LYS C C 13 176.800 0.1 . 1 . . . . . . . . 4919 1 699 . 1 1 80 80 LEU N N 15 121.384 0.1 . 1 . . . . . . . . 4919 1 700 . 1 1 80 80 LEU H H 1 7.279 0.02 . 1 . . . . . . . . 4919 1 701 . 1 1 80 80 LEU CA C 13 56.663 0.1 . 1 . . . . . . . . 4919 1 702 . 1 1 80 80 LEU HA H 1 4.071 0.02 . 1 . . . . . . . . 4919 1 703 . 1 1 80 80 LEU HB2 H 1 1.127 0.02 . 1 . . . . . . . . 4919 1 704 . 1 1 80 80 LEU HB3 H 1 1.482 0.02 . 1 . . . . . . . . 4919 1 705 . 1 1 80 80 LEU HG H 1 1.420 0.02 . 1 . . . . . . . . 4919 1 706 . 1 1 80 80 LEU HD11 H 1 0.174 0.02 . 1 . . . . . . . . 4919 1 707 . 1 1 80 80 LEU HD12 H 1 0.174 0.02 . 1 . . . . . . . . 4919 1 708 . 1 1 80 80 LEU HD13 H 1 0.174 0.02 . 1 . . . . . . . . 4919 1 709 . 1 1 80 80 LEU HD21 H 1 0.309 0.02 . 1 . . . . . . . . 4919 1 710 . 1 1 80 80 LEU HD22 H 1 0.309 0.02 . 1 . . . . . . . . 4919 1 711 . 1 1 80 80 LEU HD23 H 1 0.309 0.02 . 1 . . . . . . . . 4919 1 712 . 1 1 80 80 LEU C C 13 180.100 0.1 . 1 . . . . . . . . 4919 1 713 . 1 1 81 81 ASN N N 15 117.500 0.1 . 1 . . . . . . . . 4919 1 714 . 1 1 81 81 ASN H H 1 9.896 0.02 . 1 . . . . . . . . 4919 1 715 . 1 1 81 81 ASN CA C 13 56.900 0.1 . 1 . . . . . . . . 4919 1 716 . 1 1 81 81 ASN HA H 1 4.417 0.02 . 1 . . . . . . . . 4919 1 717 . 1 1 81 81 ASN HB2 H 1 2.641 0.02 . 2 . . . . . . . . 4919 1 718 . 1 1 81 81 ASN HB3 H 1 3.514 0.02 . 2 . . . . . . . . 4919 1 719 . 1 1 81 81 ASN ND2 N 15 111.600 0.1 . 1 . . . . . . . . 4919 1 720 . 1 1 81 81 ASN HD21 H 1 6.517 0.02 . 1 . . . . . . . . 4919 1 721 . 1 1 81 81 ASN HD22 H 1 8.028 0.02 . 1 . . . . . . . . 4919 1 722 . 1 1 81 81 ASN C C 13 176.700 0.1 . 1 . . . . . . . . 4919 1 723 . 1 1 82 82 MET N N 15 122.642 0.1 . 1 . . . . . . . . 4919 1 724 . 1 1 82 82 MET H H 1 7.017 0.02 . 1 . . . . . . . . 4919 1 725 . 1 1 82 82 MET CA C 13 61.845 0.1 . 1 . . . . . . . . 4919 1 726 . 1 1 82 82 MET HA H 1 4.863 0.02 . 1 . . . . . . . . 4919 1 727 . 1 1 82 82 MET HB2 H 1 1.752 0.02 . 2 . . . . . . . . 4919 1 728 . 1 1 82 82 MET HB3 H 1 1.969 0.02 . 2 . . . . . . . . 4919 1 729 . 1 1 82 82 MET HG2 H 1 2.254 0.02 . 2 . . . . . . . . 4919 1 730 . 1 1 82 82 MET HG3 H 1 2.310 0.02 . 2 . . . . . . . . 4919 1 731 . 1 1 82 82 MET HE1 H 1 2.055 0.02 . 1 . . . . . . . . 4919 1 732 . 1 1 82 82 MET HE2 H 1 2.055 0.02 . 1 . . . . . . . . 4919 1 733 . 1 1 82 82 MET HE3 H 1 2.055 0.02 . 1 . . . . . . . . 4919 1 734 . 1 1 82 82 MET C C 13 176.600 0.1 . 1 . . . . . . . . 4919 1 735 . 1 1 83 83 GLU N N 15 121.904 0.1 . 1 . . . . . . . . 4919 1 736 . 1 1 83 83 GLU H H 1 8.527 0.02 . 1 . . . . . . . . 4919 1 737 . 1 1 83 83 GLU CA C 13 60.340 0.1 . 1 . . . . . . . . 4919 1 738 . 1 1 83 83 GLU HA H 1 5.212 0.02 . 1 . . . . . . . . 4919 1 739 . 1 1 83 83 GLU HB2 H 1 1.847 0.02 . 2 . . . . . . . . 4919 1 740 . 1 1 83 83 GLU HB3 H 1 2.387 0.02 . 2 . . . . . . . . 4919 1 741 . 1 1 83 83 GLU HG2 H 1 1.890 0.02 . 2 . . . . . . . . 4919 1 742 . 1 1 83 83 GLU HG3 H 1 2.068 0.02 . 2 . . . . . . . . 4919 1 743 . 1 1 83 83 GLU C C 13 176.600 0.1 . 1 . . . . . . . . 4919 1 744 . 1 1 84 84 LEU N N 15 121.973 0.1 . 1 . . . . . . . . 4919 1 745 . 1 1 84 84 LEU H H 1 8.549 0.02 . 1 . . . . . . . . 4919 1 746 . 1 1 84 84 LEU CA C 13 56.564 0.1 . 1 . . . . . . . . 4919 1 747 . 1 1 84 84 LEU HA H 1 4.071 0.02 . 1 . . . . . . . . 4919 1 748 . 1 1 84 84 LEU HB2 H 1 1.404 0.02 . 2 . . . . . . . . 4919 1 749 . 1 1 84 84 LEU HB3 H 1 1.822 0.02 . 2 . . . . . . . . 4919 1 750 . 1 1 84 84 LEU HG H 1 1.484 0.02 . 1 . . . . . . . . 4919 1 751 . 1 1 84 84 LEU HD11 H 1 0.431 0.02 . 1 . . . . . . . . 4919 1 752 . 1 1 84 84 LEU HD12 H 1 0.431 0.02 . 1 . . . . . . . . 4919 1 753 . 1 1 84 84 LEU HD13 H 1 0.431 0.02 . 1 . . . . . . . . 4919 1 754 . 1 1 84 84 LEU HD21 H 1 0.724 0.02 . 1 . . . . . . . . 4919 1 755 . 1 1 84 84 LEU HD22 H 1 0.724 0.02 . 1 . . . . . . . . 4919 1 756 . 1 1 84 84 LEU HD23 H 1 0.724 0.02 . 1 . . . . . . . . 4919 1 757 . 1 1 84 84 LEU C C 13 177.700 0.1 . 1 . . . . . . . . 4919 1 758 . 1 1 85 85 SER N N 15 112.233 0.1 . 1 . . . . . . . . 4919 1 759 . 1 1 85 85 SER H H 1 7.058 0.02 . 1 . . . . . . . . 4919 1 760 . 1 1 85 85 SER CA C 13 60.734 0.1 . 1 . . . . . . . . 4919 1 761 . 1 1 85 85 SER HA H 1 3.882 0.02 . 1 . . . . . . . . 4919 1 762 . 1 1 85 85 SER HB2 H 1 4.160 0.02 . 1 . . . . . . . . 4919 1 763 . 1 1 85 85 SER HB3 H 1 4.160 0.02 . 1 . . . . . . . . 4919 1 764 . 1 1 85 85 SER C C 13 176.100 0.1 . 1 . . . . . . . . 4919 1 765 . 1 1 86 86 GLU N N 15 118.200 0.1 . 1 . . . . . . . . 4919 1 766 . 1 1 86 86 GLU H H 1 8.181 0.02 . 1 . . . . . . . . 4919 1 767 . 1 1 86 86 GLU CA C 13 58.400 0.1 . 1 . . . . . . . . 4919 1 768 . 1 1 86 86 GLU HA H 1 4.091 0.02 . 1 . . . . . . . . 4919 1 769 . 1 1 86 86 GLU HB2 H 1 2.019 0.02 . 2 . . . . . . . . 4919 1 770 . 1 1 86 86 GLU HB3 H 1 2.050 0.02 . 2 . . . . . . . . 4919 1 771 . 1 1 86 86 GLU HG2 H 1 2.336 0.02 . 2 . . . . . . . . 4919 1 772 . 1 1 86 86 GLU HG3 H 1 2.421 0.02 . 2 . . . . . . . . 4919 1 773 . 1 1 86 86 GLU C C 13 179.600 0.1 . 1 . . . . . . . . 4919 1 774 . 1 1 87 87 LYS N N 15 120.938 0.1 . 1 . . . . . . . . 4919 1 775 . 1 1 87 87 LYS H H 1 7.631 0.02 . 1 . . . . . . . . 4919 1 776 . 1 1 87 87 LYS CA C 13 58.893 0.1 . 1 . . . . . . . . 4919 1 777 . 1 1 87 87 LYS HA H 1 3.835 0.02 . 1 . . . . . . . . 4919 1 778 . 1 1 87 87 LYS HB2 H 1 1.766 0.02 . 2 . . . . . . . . 4919 1 779 . 1 1 87 87 LYS HB3 H 1 1.977 0.02 . 2 . . . . . . . . 4919 1 780 . 1 1 87 87 LYS HG2 H 1 1.745 0.02 . 1 . . . . . . . . 4919 1 781 . 1 1 87 87 LYS HG3 H 1 1.745 0.02 . 1 . . . . . . . . 4919 1 782 . 1 1 87 87 LYS HD2 H 1 1.709 0.02 . 1 . . . . . . . . 4919 1 783 . 1 1 87 87 LYS HD3 H 1 1.709 0.02 . 1 . . . . . . . . 4919 1 784 . 1 1 87 87 LYS HE2 H 1 2.949 0.02 . 1 . . . . . . . . 4919 1 785 . 1 1 87 87 LYS HE3 H 1 2.949 0.02 . 1 . . . . . . . . 4919 1 786 . 1 1 87 87 LYS C C 13 177.500 0.1 . 1 . . . . . . . . 4919 1 787 . 1 1 88 88 TYR N N 15 112.798 0.1 . 1 . . . . . . . . 4919 1 788 . 1 1 88 88 TYR H H 1 6.925 0.02 . 1 . . . . . . . . 4919 1 789 . 1 1 88 88 TYR CA C 13 58.481 0.1 . 1 . . . . . . . . 4919 1 790 . 1 1 88 88 TYR HA H 1 4.453 0.02 . 1 . . . . . . . . 4919 1 791 . 1 1 88 88 TYR HB2 H 1 2.930 0.02 . 1 . . . . . . . . 4919 1 792 . 1 1 88 88 TYR HB3 H 1 3.513 0.02 . 1 . . . . . . . . 4919 1 793 . 1 1 88 88 TYR HD1 H 1 6.938 0.02 . 1 . . . . . . . . 4919 1 794 . 1 1 88 88 TYR HD2 H 1 6.938 0.02 . 1 . . . . . . . . 4919 1 795 . 1 1 88 88 TYR HE1 H 1 7.176 0.02 . 1 . . . . . . . . 4919 1 796 . 1 1 88 88 TYR HE2 H 1 7.176 0.02 . 1 . . . . . . . . 4919 1 797 . 1 1 88 88 TYR C C 13 173.000 0.1 . 1 . . . . . . . . 4919 1 798 . 1 1 89 89 LYS N N 15 117.962 0.1 . 1 . . . . . . . . 4919 1 799 . 1 1 89 89 LYS H H 1 7.643 0.02 . 1 . . . . . . . . 4919 1 800 . 1 1 89 89 LYS CA C 13 56.390 0.1 . 1 . . . . . . . . 4919 1 801 . 1 1 89 89 LYS HA H 1 3.899 0.02 . 1 . . . . . . . . 4919 1 802 . 1 1 89 89 LYS HB2 H 1 1.838 0.02 . 1 . . . . . . . . 4919 1 803 . 1 1 89 89 LYS HB3 H 1 1.989 0.02 . 1 . . . . . . . . 4919 1 804 . 1 1 89 89 LYS HG2 H 1 1.353 0.02 . 1 . . . . . . . . 4919 1 805 . 1 1 89 89 LYS HG3 H 1 1.353 0.02 . 1 . . . . . . . . 4919 1 806 . 1 1 89 89 LYS HD2 H 1 1.658 0.02 . 1 . . . . . . . . 4919 1 807 . 1 1 89 89 LYS HD3 H 1 1.658 0.02 . 1 . . . . . . . . 4919 1 808 . 1 1 89 89 LYS HE2 H 1 3.016 0.02 . 1 . . . . . . . . 4919 1 809 . 1 1 89 89 LYS HE3 H 1 3.016 0.02 . 1 . . . . . . . . 4919 1 810 . 1 1 89 89 LYS C C 13 176.300 0.1 . 1 . . . . . . . . 4919 1 811 . 1 1 90 90 LEU N N 15 116.847 0.1 . 1 . . . . . . . . 4919 1 812 . 1 1 90 90 LEU H H 1 7.951 0.02 . 1 . . . . . . . . 4919 1 813 . 1 1 90 90 LEU CA C 13 54.409 0.1 . 1 . . . . . . . . 4919 1 814 . 1 1 90 90 LEU HA H 1 4.171 0.02 . 1 . . . . . . . . 4919 1 815 . 1 1 90 90 LEU HB2 H 1 1.148 0.02 . 1 . . . . . . . . 4919 1 816 . 1 1 90 90 LEU HB3 H 1 1.148 0.02 . 1 . . . . . . . . 4919 1 817 . 1 1 90 90 LEU HG H 1 1.359 0.02 . 1 . . . . . . . . 4919 1 818 . 1 1 90 90 LEU HD11 H 1 0.031 0.02 . 1 . . . . . . . . 4919 1 819 . 1 1 90 90 LEU HD12 H 1 0.031 0.02 . 1 . . . . . . . . 4919 1 820 . 1 1 90 90 LEU HD13 H 1 0.031 0.02 . 1 . . . . . . . . 4919 1 821 . 1 1 90 90 LEU HD21 H 1 0.502 0.02 . 1 . . . . . . . . 4919 1 822 . 1 1 90 90 LEU HD22 H 1 0.502 0.02 . 1 . . . . . . . . 4919 1 823 . 1 1 90 90 LEU HD23 H 1 0.502 0.02 . 1 . . . . . . . . 4919 1 824 . 1 1 90 90 LEU C C 13 177.100 0.1 . 1 . . . . . . . . 4919 1 825 . 1 1 91 91 ASP N N 15 120.650 0.1 . 1 . . . . . . . . 4919 1 826 . 1 1 91 91 ASP H H 1 8.255 0.02 . 1 . . . . . . . . 4919 1 827 . 1 1 91 91 ASP CA C 13 52.714 0.1 . 1 . . . . . . . . 4919 1 828 . 1 1 91 91 ASP HA H 1 4.581 0.02 . 1 . . . . . . . . 4919 1 829 . 1 1 91 91 ASP HB2 H 1 2.605 0.02 . 2 . . . . . . . . 4919 1 830 . 1 1 91 91 ASP HB3 H 1 2.671 0.02 . 2 . . . . . . . . 4919 1 831 . 1 1 91 91 ASP C C 13 176.400 0.1 . 1 . . . . . . . . 4919 1 832 . 1 1 92 92 LYS N N 15 123.772 0.1 . 1 . . . . . . . . 4919 1 833 . 1 1 92 92 LYS H H 1 8.280 0.02 . 1 . . . . . . . . 4919 1 834 . 1 1 92 92 LYS CA C 13 57.017 0.1 . 1 . . . . . . . . 4919 1 835 . 1 1 92 92 LYS HA H 1 4.241 0.02 . 1 . . . . . . . . 4919 1 836 . 1 1 92 92 LYS HB2 H 1 1.599 0.02 . 2 . . . . . . . . 4919 1 837 . 1 1 92 92 LYS HB3 H 1 1.639 0.02 . 2 . . . . . . . . 4919 1 838 . 1 1 92 92 LYS HG2 H 1 1.197 0.02 . 4 . . . . . . . . 4919 1 839 . 1 1 92 92 LYS HG3 H 1 1.353 0.02 . 4 . . . . . . . . 4919 1 840 . 1 1 92 92 LYS HD2 H 1 1.439 0.02 . 4 . . . . . . . . 4919 1 841 . 1 1 92 92 LYS HD3 H 1 1.439 0.02 . 4 . . . . . . . . 4919 1 842 . 1 1 92 92 LYS C C 13 177.500 0.1 . 1 . . . . . . . . 4919 1 843 . 1 1 93 93 GLU N N 15 118.185 0.1 . 1 . . . . . . . . 4919 1 844 . 1 1 93 93 GLU H H 1 8.121 0.02 . 1 . . . . . . . . 4919 1 845 . 1 1 93 93 GLU CA C 13 56.695 0.1 . 1 . . . . . . . . 4919 1 846 . 1 1 93 93 GLU HA H 1 4.163 0.02 . 1 . . . . . . . . 4919 1 847 . 1 1 93 93 GLU HB2 H 1 1.905 0.02 . 1 . . . . . . . . 4919 1 848 . 1 1 93 93 GLU HB3 H 1 2.082 0.02 . 1 . . . . . . . . 4919 1 849 . 1 1 93 93 GLU HG2 H 1 2.312 0.02 . 2 . . . . . . . . 4919 1 850 . 1 1 93 93 GLU HG3 H 1 2.359 0.02 . 2 . . . . . . . . 4919 1 851 . 1 1 93 93 GLU C C 13 177.100 0.1 . 1 . . . . . . . . 4919 1 852 . 1 1 94 94 SER N N 15 113.950 0.1 . 1 . . . . . . . . 4919 1 853 . 1 1 94 94 SER H H 1 7.858 0.02 . 1 . . . . . . . . 4919 1 854 . 1 1 94 94 SER CA C 13 57.751 0.1 . 1 . . . . . . . . 4919 1 855 . 1 1 94 94 SER HA H 1 4.435 0.02 . 1 . . . . . . . . 4919 1 856 . 1 1 94 94 SER HB2 H 1 3.796 0.02 . 1 . . . . . . . . 4919 1 857 . 1 1 94 94 SER HB3 H 1 3.879 0.02 . 1 . . . . . . . . 4919 1 858 . 1 1 94 94 SER C C 13 173.500 0.1 . 1 . . . . . . . . 4919 1 859 . 1 1 95 95 TYR N N 15 119.076 0.1 . 1 . . . . . . . . 4919 1 860 . 1 1 95 95 TYR H H 1 7.016 0.02 . 1 . . . . . . . . 4919 1 861 . 1 1 95 95 TYR CA C 13 54.313 0.1 . 1 . . . . . . . . 4919 1 862 . 1 1 95 95 TYR HA H 1 4.554 0.02 . 1 . . . . . . . . 4919 1 863 . 1 1 95 95 TYR HB2 H 1 2.871 0.02 . 1 . . . . . . . . 4919 1 864 . 1 1 95 95 TYR HB3 H 1 2.926 0.02 . 1 . . . . . . . . 4919 1 865 . 1 1 95 95 TYR HD1 H 1 6.919 0.02 . 1 . . . . . . . . 4919 1 866 . 1 1 95 95 TYR HD2 H 1 6.919 0.02 . 1 . . . . . . . . 4919 1 867 . 1 1 95 95 TYR HE1 H 1 6.484 0.02 . 1 . . . . . . . . 4919 1 868 . 1 1 95 95 TYR HE2 H 1 6.484 0.02 . 1 . . . . . . . . 4919 1 869 . 1 1 96 96 PRO CA C 13 66.900 0.1 . 1 . . . . . . . . 4919 1 870 . 1 1 96 96 PRO HA H 1 4.799 0.02 . 1 . . . . . . . . 4919 1 871 . 1 1 96 96 PRO HB2 H 1 2.054 0.02 . 2 . . . . . . . . 4919 1 872 . 1 1 96 96 PRO HB3 H 1 2.128 0.02 . 2 . . . . . . . . 4919 1 873 . 1 1 96 96 PRO HG2 H 1 2.113 0.02 . 1 . . . . . . . . 4919 1 874 . 1 1 96 96 PRO HG3 H 1 2.113 0.02 . 1 . . . . . . . . 4919 1 875 . 1 1 96 96 PRO HD2 H 1 3.513 0.02 . 2 . . . . . . . . 4919 1 876 . 1 1 96 96 PRO HD3 H 1 3.846 0.02 . 2 . . . . . . . . 4919 1 877 . 1 1 96 96 PRO C C 13 174.400 0.1 . 1 . . . . . . . . 4919 1 878 . 1 1 97 97 VAL N N 15 120.337 0.1 . 1 . . . . . . . . 4919 1 879 . 1 1 97 97 VAL H H 1 8.588 0.02 . 1 . . . . . . . . 4919 1 880 . 1 1 97 97 VAL CA C 13 57.476 0.1 . 1 . . . . . . . . 4919 1 881 . 1 1 97 97 VAL HA H 1 4.530 0.02 . 1 . . . . . . . . 4919 1 882 . 1 1 97 97 VAL HB H 1 1.965 0.02 . 1 . . . . . . . . 4919 1 883 . 1 1 97 97 VAL HG11 H 1 1.006 0.02 . 1 . . . . . . . . 4919 1 884 . 1 1 97 97 VAL HG12 H 1 1.006 0.02 . 1 . . . . . . . . 4919 1 885 . 1 1 97 97 VAL HG13 H 1 1.006 0.02 . 1 . . . . . . . . 4919 1 886 . 1 1 97 97 VAL HG21 H 1 0.896 0.02 . 1 . . . . . . . . 4919 1 887 . 1 1 97 97 VAL HG22 H 1 0.896 0.02 . 1 . . . . . . . . 4919 1 888 . 1 1 97 97 VAL HG23 H 1 0.896 0.02 . 1 . . . . . . . . 4919 1 889 . 1 1 97 97 VAL C C 13 174.300 0.1 . 1 . . . . . . . . 4919 1 890 . 1 1 98 98 PHE N N 15 124.648 0.1 . 1 . . . . . . . . 4919 1 891 . 1 1 98 98 PHE H H 1 9.335 0.02 . 1 . . . . . . . . 4919 1 892 . 1 1 98 98 PHE CA C 13 56.588 0.1 . 1 . . . . . . . . 4919 1 893 . 1 1 98 98 PHE HA H 1 5.526 0.02 . 1 . . . . . . . . 4919 1 894 . 1 1 98 98 PHE HB2 H 1 2.616 0.02 . 2 . . . . . . . . 4919 1 895 . 1 1 98 98 PHE HB3 H 1 3.144 0.02 . 2 . . . . . . . . 4919 1 896 . 1 1 98 98 PHE HD1 H 1 7.173 0.02 . 1 . . . . . . . . 4919 1 897 . 1 1 98 98 PHE HD2 H 1 7.173 0.02 . 1 . . . . . . . . 4919 1 898 . 1 1 98 98 PHE HE1 H 1 6.832 0.02 . 1 . . . . . . . . 4919 1 899 . 1 1 98 98 PHE HE2 H 1 6.832 0.02 . 1 . . . . . . . . 4919 1 900 . 1 1 98 98 PHE HZ H 1 6.771 0.02 . 1 . . . . . . . . 4919 1 901 . 1 1 98 98 PHE C C 13 174.400 0.1 . 1 . . . . . . . . 4919 1 902 . 1 1 99 99 TYR N N 15 122.865 0.1 . 1 . . . . . . . . 4919 1 903 . 1 1 99 99 TYR H H 1 9.377 0.02 . 1 . . . . . . . . 4919 1 904 . 1 1 99 99 TYR CA C 13 54.958 0.1 . 1 . . . . . . . . 4919 1 905 . 1 1 99 99 TYR HA H 1 5.282 0.02 . 1 . . . . . . . . 4919 1 906 . 1 1 99 99 TYR HB2 H 1 2.485 0.02 . 2 . . . . . . . . 4919 1 907 . 1 1 99 99 TYR HB3 H 1 3.047 0.02 . 2 . . . . . . . . 4919 1 908 . 1 1 99 99 TYR HD1 H 1 6.768 0.02 . 1 . . . . . . . . 4919 1 909 . 1 1 99 99 TYR HD2 H 1 6.768 0.02 . 1 . . . . . . . . 4919 1 910 . 1 1 99 99 TYR HE1 H 1 6.558 0.02 . 1 . . . . . . . . 4919 1 911 . 1 1 99 99 TYR HE2 H 1 6.558 0.02 . 1 . . . . . . . . 4919 1 912 . 1 1 99 99 TYR C C 13 174.300 0.1 . 1 . . . . . . . . 4919 1 913 . 1 1 100 100 LEU N N 15 123.533 0.1 . 1 . . . . . . . . 4919 1 914 . 1 1 100 100 LEU H H 1 9.365 0.02 . 1 . . . . . . . . 4919 1 915 . 1 1 100 100 LEU CA C 13 53.327 0.1 . 1 . . . . . . . . 4919 1 916 . 1 1 100 100 LEU HA H 1 5.304 0.02 . 1 . . . . . . . . 4919 1 917 . 1 1 100 100 LEU HB2 H 1 1.452 0.02 . 1 . . . . . . . . 4919 1 918 . 1 1 100 100 LEU HB3 H 1 2.253 0.02 . 1 . . . . . . . . 4919 1 919 . 1 1 100 100 LEU HG H 1 1.454 0.02 . 1 . . . . . . . . 4919 1 920 . 1 1 100 100 LEU HD11 H 1 0.507 0.02 . 1 . . . . . . . . 4919 1 921 . 1 1 100 100 LEU HD12 H 1 0.507 0.02 . 1 . . . . . . . . 4919 1 922 . 1 1 100 100 LEU HD13 H 1 0.507 0.02 . 1 . . . . . . . . 4919 1 923 . 1 1 100 100 LEU HD21 H 1 0.840 0.02 . 1 . . . . . . . . 4919 1 924 . 1 1 100 100 LEU HD22 H 1 0.840 0.02 . 1 . . . . . . . . 4919 1 925 . 1 1 100 100 LEU HD23 H 1 0.840 0.02 . 1 . . . . . . . . 4919 1 926 . 1 1 100 100 LEU C C 13 175.000 0.1 . 1 . . . . . . . . 4919 1 927 . 1 1 101 101 PHE N N 15 127.768 0.1 . 1 . . . . . . . . 4919 1 928 . 1 1 101 101 PHE H H 1 9.640 0.02 . 1 . . . . . . . . 4919 1 929 . 1 1 101 101 PHE CA C 13 56.673 0.1 . 1 . . . . . . . . 4919 1 930 . 1 1 101 101 PHE HA H 1 5.076 0.02 . 1 . . . . . . . . 4919 1 931 . 1 1 101 101 PHE HB2 H 1 2.521 0.02 . 2 . . . . . . . . 4919 1 932 . 1 1 101 101 PHE HB3 H 1 2.942 0.02 . 2 . . . . . . . . 4919 1 933 . 1 1 101 101 PHE HD1 H 1 7.328 0.02 . 1 . . . . . . . . 4919 1 934 . 1 1 101 101 PHE HD2 H 1 7.328 0.02 . 1 . . . . . . . . 4919 1 935 . 1 1 101 101 PHE HE1 H 1 7.454 0.02 . 1 . . . . . . . . 4919 1 936 . 1 1 101 101 PHE HE2 H 1 7.454 0.02 . 1 . . . . . . . . 4919 1 937 . 1 1 101 101 PHE HZ H 1 6.941 0.02 . 1 . . . . . . . . 4919 1 938 . 1 1 101 101 PHE C C 13 175.300 0.1 . 1 . . . . . . . . 4919 1 939 . 1 1 102 102 ARG N N 15 121.750 0.1 . 1 . . . . . . . . 4919 1 940 . 1 1 102 102 ARG H H 1 9.499 0.02 . 1 . . . . . . . . 4919 1 941 . 1 1 102 102 ARG CA C 13 53.389 0.1 . 1 . . . . . . . . 4919 1 942 . 1 1 102 102 ARG HA H 1 5.276 0.02 . 1 . . . . . . . . 4919 1 943 . 1 1 102 102 ARG HB2 H 1 1.714 0.02 . 1 . . . . . . . . 4919 1 944 . 1 1 102 102 ARG HB3 H 1 1.714 0.02 . 1 . . . . . . . . 4919 1 945 . 1 1 102 102 ARG HG2 H 1 1.475 0.02 . 2 . . . . . . . . 4919 1 946 . 1 1 102 102 ARG HG3 H 1 1.554 0.02 . 2 . . . . . . . . 4919 1 947 . 1 1 102 102 ARG HD2 H 1 3.250 0.02 . 2 . . . . . . . . 4919 1 948 . 1 1 102 102 ARG HD3 H 1 3.287 0.02 . 2 . . . . . . . . 4919 1 949 . 1 1 102 102 ARG HE H 1 7.223 0.02 . 1 . . . . . . . . 4919 1 950 . 1 1 102 102 ARG C C 13 176.300 0.1 . 1 . . . . . . . . 4919 1 951 . 1 1 103 103 ASP N N 15 120.674 0.1 . 1 . . . . . . . . 4919 1 952 . 1 1 103 103 ASP H H 1 9.285 0.02 . 1 . . . . . . . . 4919 1 953 . 1 1 103 103 ASP CA C 13 55.037 0.1 . 1 . . . . . . . . 4919 1 954 . 1 1 103 103 ASP HA H 1 4.207 0.02 . 1 . . . . . . . . 4919 1 955 . 1 1 103 103 ASP HB2 H 1 2.615 0.02 . 2 . . . . . . . . 4919 1 956 . 1 1 103 103 ASP HB3 H 1 2.946 0.02 . 2 . . . . . . . . 4919 1 957 . 1 1 103 103 ASP C C 13 175.800 0.1 . 1 . . . . . . . . 4919 1 958 . 1 1 104 104 GLY N N 15 105.337 0.1 . 1 . . . . . . . . 4919 1 959 . 1 1 104 104 GLY H H 1 9.150 0.02 . 1 . . . . . . . . 4919 1 960 . 1 1 104 104 GLY CA C 13 45.881 0.1 . 1 . . . . . . . . 4919 1 961 . 1 1 104 104 GLY HA2 H 1 3.044 0.02 . 1 . . . . . . . . 4919 1 962 . 1 1 104 104 GLY HA3 H 1 3.721 0.02 . 1 . . . . . . . . 4919 1 963 . 1 1 104 104 GLY C C 13 173.000 0.1 . 1 . . . . . . . . 4919 1 964 . 1 1 105 105 ASP N N 15 117.070 0.1 . 1 . . . . . . . . 4919 1 965 . 1 1 105 105 ASP H H 1 7.560 0.02 . 1 . . . . . . . . 4919 1 966 . 1 1 105 105 ASP CA C 13 52.897 0.1 . 1 . . . . . . . . 4919 1 967 . 1 1 105 105 ASP HA H 1 4.676 0.02 . 1 . . . . . . . . 4919 1 968 . 1 1 105 105 ASP HB2 H 1 2.659 0.02 . 2 . . . . . . . . 4919 1 969 . 1 1 105 105 ASP HB3 H 1 3.368 0.02 . 2 . . . . . . . . 4919 1 970 . 1 1 105 105 ASP C C 13 177.300 0.1 . 1 . . . . . . . . 4919 1 971 . 1 1 106 106 PHE N N 15 122.642 0.1 . 1 . . . . . . . . 4919 1 972 . 1 1 106 106 PHE H H 1 8.166 0.02 . 1 . . . . . . . . 4919 1 973 . 1 1 106 106 PHE CA C 13 60.020 0.1 . 1 . . . . . . . . 4919 1 974 . 1 1 106 106 PHE HA H 1 4.663 0.02 . 1 . . . . . . . . 4919 1 975 . 1 1 106 106 PHE HB2 H 1 3.295 0.02 . 1 . . . . . . . . 4919 1 976 . 1 1 106 106 PHE HB3 H 1 3.341 0.02 . 1 . . . . . . . . 4919 1 977 . 1 1 106 106 PHE HD1 H 1 7.404 0.02 . 1 . . . . . . . . 4919 1 978 . 1 1 106 106 PHE HD2 H 1 7.404 0.02 . 1 . . . . . . . . 4919 1 979 . 1 1 106 106 PHE HE1 H 1 7.187 0.02 . 1 . . . . . . . . 4919 1 980 . 1 1 106 106 PHE HE2 H 1 7.187 0.02 . 1 . . . . . . . . 4919 1 981 . 1 1 106 106 PHE HZ H 1 7.498 0.02 . 1 . . . . . . . . 4919 1 982 . 1 1 106 106 PHE C C 13 177.800 0.1 . 1 . . . . . . . . 4919 1 983 . 1 1 107 107 GLU N N 15 116.600 0.1 . 1 . . . . . . . . 4919 1 984 . 1 1 107 107 GLU H H 1 8.512 0.02 . 1 . . . . . . . . 4919 1 985 . 1 1 107 107 GLU CA C 13 56.900 0.1 . 1 . . . . . . . . 4919 1 986 . 1 1 107 107 GLU HA H 1 4.685 0.02 . 1 . . . . . . . . 4919 1 987 . 1 1 107 107 GLU HB2 H 1 2.172 0.02 . 2 . . . . . . . . 4919 1 988 . 1 1 107 107 GLU HB3 H 1 2.311 0.02 . 2 . . . . . . . . 4919 1 989 . 1 1 107 107 GLU HG2 H 1 2.456 0.02 . 2 . . . . . . . . 4919 1 990 . 1 1 107 107 GLU HG3 H 1 2.500 0.02 . 2 . . . . . . . . 4919 1 991 . 1 1 107 107 GLU C C 13 176.700 0.1 . 1 . . . . . . . . 4919 1 992 . 1 1 108 108 ASN N N 15 115.680 0.1 . 1 . . . . . . . . 4919 1 993 . 1 1 108 108 ASN H H 1 7.404 0.02 . 1 . . . . . . . . 4919 1 994 . 1 1 108 108 ASN CA C 13 51.007 0.1 . 1 . . . . . . . . 4919 1 995 . 1 1 108 108 ASN HA H 1 5.365 0.02 . 1 . . . . . . . . 4919 1 996 . 1 1 108 108 ASN HB2 H 1 2.681 0.02 . 2 . . . . . . . . 4919 1 997 . 1 1 108 108 ASN HB3 H 1 2.745 0.02 . 2 . . . . . . . . 4919 1 998 . 1 1 108 108 ASN ND2 N 15 119.900 0.1 . 1 . . . . . . . . 4919 1 999 . 1 1 108 108 ASN HD21 H 1 6.986 0.02 . 1 . . . . . . . . 4919 1 1000 . 1 1 108 108 ASN HD22 H 1 8.498 0.02 . 1 . . . . . . . . 4919 1 1001 . 1 1 109 109 PRO CA C 13 62.800 0.1 . 1 . . . . . . . . 4919 1 1002 . 1 1 109 109 PRO HA H 1 4.606 0.02 . 1 . . . . . . . . 4919 1 1003 . 1 1 109 109 PRO HB2 H 1 0.665 0.02 . 1 . . . . . . . . 4919 1 1004 . 1 1 109 109 PRO HB3 H 1 0.511 0.02 . 1 . . . . . . . . 4919 1 1005 . 1 1 109 109 PRO HG2 H 1 1.418 0.02 . 1 . . . . . . . . 4919 1 1006 . 1 1 109 109 PRO HG3 H 1 1.418 0.02 . 1 . . . . . . . . 4919 1 1007 . 1 1 109 109 PRO HD2 H 1 3.371 0.02 . 2 . . . . . . . . 4919 1 1008 . 1 1 109 109 PRO HD3 H 1 3.663 0.02 . 2 . . . . . . . . 4919 1 1009 . 1 1 109 109 PRO C C 13 176.100 0.1 . 1 . . . . . . . . 4919 1 1010 . 1 1 110 110 VAL N N 15 121.576 0.1 . 1 . . . . . . . . 4919 1 1011 . 1 1 110 110 VAL H H 1 8.973 0.02 . 1 . . . . . . . . 4919 1 1012 . 1 1 110 110 VAL CA C 13 59.173 0.1 . 1 . . . . . . . . 4919 1 1013 . 1 1 110 110 VAL HA H 1 4.545 0.02 . 1 . . . . . . . . 4919 1 1014 . 1 1 110 110 VAL HB H 1 2.285 0.02 . 1 . . . . . . . . 4919 1 1015 . 1 1 110 110 VAL HG11 H 1 1.202 0.02 . 1 . . . . . . . . 4919 1 1016 . 1 1 110 110 VAL HG12 H 1 1.202 0.02 . 1 . . . . . . . . 4919 1 1017 . 1 1 110 110 VAL HG13 H 1 1.202 0.02 . 1 . . . . . . . . 4919 1 1018 . 1 1 110 110 VAL HG21 H 1 1.043 0.02 . 1 . . . . . . . . 4919 1 1019 . 1 1 110 110 VAL HG22 H 1 1.043 0.02 . 1 . . . . . . . . 4919 1 1020 . 1 1 110 110 VAL HG23 H 1 1.043 0.02 . 1 . . . . . . . . 4919 1 1021 . 1 1 111 111 PRO CA C 13 63.000 0.1 . 1 . . . . . . . . 4919 1 1022 . 1 1 111 111 PRO HA H 1 3.836 0.02 . 1 . . . . . . . . 4919 1 1023 . 1 1 111 111 PRO HB2 H 1 1.430 0.02 . 2 . . . . . . . . 4919 1 1024 . 1 1 111 111 PRO HB3 H 1 1.513 0.02 . 2 . . . . . . . . 4919 1 1025 . 1 1 111 111 PRO HG2 H 1 0.485 0.02 . 2 . . . . . . . . 4919 1 1026 . 1 1 111 111 PRO HG3 H 1 0.951 0.02 . 2 . . . . . . . . 4919 1 1027 . 1 1 111 111 PRO HD2 H 1 2.886 0.02 . 2 . . . . . . . . 4919 1 1028 . 1 1 111 111 PRO HD3 H 1 3.079 0.02 . 2 . . . . . . . . 4919 1 1029 . 1 1 111 111 PRO C C 13 175.800 0.1 . 1 . . . . . . . . 4919 1 1030 . 1 1 112 112 TYR N N 15 126.900 0.1 . 1 . . . . . . . . 4919 1 1031 . 1 1 112 112 TYR H H 1 8.120 0.02 . 1 . . . . . . . . 4919 1 1032 . 1 1 112 112 TYR CA C 13 57.400 0.1 . 1 . . . . . . . . 4919 1 1033 . 1 1 112 112 TYR HA H 1 3.701 0.02 . 1 . . . . . . . . 4919 1 1034 . 1 1 112 112 TYR HB2 H 1 3.407 0.02 . 2 . . . . . . . . 4919 1 1035 . 1 1 112 112 TYR HB3 H 1 3.492 0.02 . 2 . . . . . . . . 4919 1 1036 . 1 1 112 112 TYR HD1 H 1 6.026 0.02 . 1 . . . . . . . . 4919 1 1037 . 1 1 112 112 TYR HD2 H 1 6.026 0.02 . 1 . . . . . . . . 4919 1 1038 . 1 1 112 112 TYR HE1 H 1 6.026 0.02 . 1 . . . . . . . . 4919 1 1039 . 1 1 112 112 TYR HE2 H 1 6.026 0.02 . 1 . . . . . . . . 4919 1 1040 . 1 1 112 112 TYR HH H 1 9.216 0.02 . 1 . . . . . . . . 4919 1 1041 . 1 1 112 112 TYR C C 13 175.900 0.1 . 1 . . . . . . . . 4919 1 1042 . 1 1 113 113 SER N N 15 122.865 0.1 . 1 . . . . . . . . 4919 1 1043 . 1 1 113 113 SER H H 1 7.555 0.02 . 1 . . . . . . . . 4919 1 1044 . 1 1 113 113 SER CA C 13 56.500 0.1 . 1 . . . . . . . . 4919 1 1045 . 1 1 113 113 SER HA H 1 4.433 0.02 . 1 . . . . . . . . 4919 1 1046 . 1 1 113 113 SER HB2 H 1 3.560 0.02 . 1 . . . . . . . . 4919 1 1047 . 1 1 113 113 SER HB3 H 1 3.660 0.02 . 1 . . . . . . . . 4919 1 1048 . 1 1 113 113 SER C C 13 173.100 0.1 . 1 . . . . . . . . 4919 1 1049 . 1 1 114 114 GLY N N 15 107.710 0.1 . 1 . . . . . . . . 4919 1 1050 . 1 1 114 114 GLY H H 1 5.413 0.02 . 1 . . . . . . . . 4919 1 1051 . 1 1 114 114 GLY CA C 13 43.800 0.1 . 1 . . . . . . . . 4919 1 1052 . 1 1 114 114 GLY HA2 H 1 3.473 0.02 . 2 . . . . . . . . 4919 1 1053 . 1 1 114 114 GLY HA3 H 1 3.895 0.02 . 2 . . . . . . . . 4919 1 1054 . 1 1 114 114 GLY C C 13 172.200 0.1 . 1 . . . . . . . . 4919 1 1055 . 1 1 115 115 ALA N N 15 120.636 0.1 . 1 . . . . . . . . 4919 1 1056 . 1 1 115 115 ALA H H 1 8.254 0.02 . 1 . . . . . . . . 4919 1 1057 . 1 1 115 115 ALA CA C 13 51.797 0.1 . 1 . . . . . . . . 4919 1 1058 . 1 1 115 115 ALA HA H 1 4.231 0.02 . 1 . . . . . . . . 4919 1 1059 . 1 1 115 115 ALA HB1 H 1 1.272 0.02 . 1 . . . . . . . . 4919 1 1060 . 1 1 115 115 ALA HB2 H 1 1.272 0.02 . 1 . . . . . . . . 4919 1 1061 . 1 1 115 115 ALA HB3 H 1 1.272 0.02 . 1 . . . . . . . . 4919 1 1062 . 1 1 115 115 ALA C C 13 179.900 0.1 . 1 . . . . . . . . 4919 1 1063 . 1 1 116 116 VAL N N 15 127.093 0.1 . 1 . . . . . . . . 4919 1 1064 . 1 1 116 116 VAL H H 1 9.400 0.02 . 1 . . . . . . . . 4919 1 1065 . 1 1 116 116 VAL CA C 13 62.320 0.1 . 1 . . . . . . . . 4919 1 1066 . 1 1 116 116 VAL HA H 1 3.801 0.02 . 1 . . . . . . . . 4919 1 1067 . 1 1 116 116 VAL HB H 1 2.200 0.02 . 1 . . . . . . . . 4919 1 1068 . 1 1 116 116 VAL HG11 H 1 0.997 0.02 . 1 . . . . . . . . 4919 1 1069 . 1 1 116 116 VAL HG12 H 1 0.997 0.02 . 1 . . . . . . . . 4919 1 1070 . 1 1 116 116 VAL HG13 H 1 0.997 0.02 . 1 . . . . . . . . 4919 1 1071 . 1 1 116 116 VAL HG21 H 1 1.174 0.02 . 1 . . . . . . . . 4919 1 1072 . 1 1 116 116 VAL HG22 H 1 1.174 0.02 . 1 . . . . . . . . 4919 1 1073 . 1 1 116 116 VAL HG23 H 1 1.174 0.02 . 1 . . . . . . . . 4919 1 1074 . 1 1 116 116 VAL C C 13 173.200 0.1 . 1 . . . . . . . . 4919 1 1075 . 1 1 117 117 LYS N N 15 123.718 0.1 . 1 . . . . . . . . 4919 1 1076 . 1 1 117 117 LYS H H 1 7.218 0.02 . 1 . . . . . . . . 4919 1 1077 . 1 1 117 117 LYS CA C 13 52.775 0.1 . 1 . . . . . . . . 4919 1 1078 . 1 1 117 117 LYS HA H 1 4.717 0.02 . 1 . . . . . . . . 4919 1 1079 . 1 1 117 117 LYS HB2 H 1 1.766 0.02 . 1 . . . . . . . . 4919 1 1080 . 1 1 117 117 LYS HB3 H 1 1.879 0.02 . 1 . . . . . . . . 4919 1 1081 . 1 1 117 117 LYS HG2 H 1 1.189 0.02 . 2 . . . . . . . . 4919 1 1082 . 1 1 117 117 LYS HG3 H 1 1.275 0.02 . 2 . . . . . . . . 4919 1 1083 . 1 1 117 117 LYS HD2 H 1 1.630 0.02 . 1 . . . . . . . . 4919 1 1084 . 1 1 117 117 LYS HD3 H 1 1.630 0.02 . 1 . . . . . . . . 4919 1 1085 . 1 1 117 117 LYS HE2 H 1 2.931 0.02 . 1 . . . . . . . . 4919 1 1086 . 1 1 117 117 LYS HE3 H 1 2.931 0.02 . 1 . . . . . . . . 4919 1 1087 . 1 1 117 117 LYS C C 13 177.200 0.1 . 1 . . . . . . . . 4919 1 1088 . 1 1 118 118 VAL N N 15 123.583 0.1 . 1 . . . . . . . . 4919 1 1089 . 1 1 118 118 VAL H H 1 9.607 0.02 . 1 . . . . . . . . 4919 1 1090 . 1 1 118 118 VAL CA C 13 67.029 0.1 . 1 . . . . . . . . 4919 1 1091 . 1 1 118 118 VAL HA H 1 3.385 0.02 . 1 . . . . . . . . 4919 1 1092 . 1 1 118 118 VAL HB H 1 2.084 0.02 . 1 . . . . . . . . 4919 1 1093 . 1 1 118 118 VAL HG11 H 1 0.845 0.02 . 1 . . . . . . . . 4919 1 1094 . 1 1 118 118 VAL HG12 H 1 0.845 0.02 . 1 . . . . . . . . 4919 1 1095 . 1 1 118 118 VAL HG13 H 1 0.845 0.02 . 1 . . . . . . . . 4919 1 1096 . 1 1 118 118 VAL HG21 H 1 0.950 0.02 . 1 . . . . . . . . 4919 1 1097 . 1 1 118 118 VAL HG22 H 1 0.950 0.02 . 1 . . . . . . . . 4919 1 1098 . 1 1 118 118 VAL HG23 H 1 0.950 0.02 . 1 . . . . . . . . 4919 1 1099 . 1 1 118 118 VAL C C 13 176.700 0.1 . 1 . . . . . . . . 4919 1 1100 . 1 1 119 119 GLY N N 15 107.083 0.1 . 1 . . . . . . . . 4919 1 1101 . 1 1 119 119 GLY H H 1 8.893 0.02 . 1 . . . . . . . . 4919 1 1102 . 1 1 119 119 GLY CA C 13 46.729 0.1 . 1 . . . . . . . . 4919 1 1103 . 1 1 119 119 GLY HA2 H 1 3.773 0.02 . 1 . . . . . . . . 4919 1 1104 . 1 1 119 119 GLY HA3 H 1 3.811 0.02 . 1 . . . . . . . . 4919 1 1105 . 1 1 119 119 GLY C C 13 176.200 0.1 . 1 . . . . . . . . 4919 1 1106 . 1 1 120 120 ALA N N 15 123.934 0.1 . 1 . . . . . . . . 4919 1 1107 . 1 1 120 120 ALA H H 1 6.828 0.02 . 1 . . . . . . . . 4919 1 1108 . 1 1 120 120 ALA CA C 13 54.719 0.1 . 1 . . . . . . . . 4919 1 1109 . 1 1 120 120 ALA HA H 1 4.227 0.02 . 1 . . . . . . . . 4919 1 1110 . 1 1 120 120 ALA HB1 H 1 1.594 0.02 . 1 . . . . . . . . 4919 1 1111 . 1 1 120 120 ALA HB2 H 1 1.594 0.02 . 1 . . . . . . . . 4919 1 1112 . 1 1 120 120 ALA HB3 H 1 1.594 0.02 . 1 . . . . . . . . 4919 1 1113 . 1 1 120 120 ALA C C 13 180.700 0.1 . 1 . . . . . . . . 4919 1 1114 . 1 1 121 121 ILE N N 15 120.060 0.1 . 1 . . . . . . . . 4919 1 1115 . 1 1 121 121 ILE H H 1 8.237 0.02 . 1 . . . . . . . . 4919 1 1116 . 1 1 121 121 ILE CA C 13 65.207 0.1 . 1 . . . . . . . . 4919 1 1117 . 1 1 121 121 ILE HA H 1 3.404 0.02 . 1 . . . . . . . . 4919 1 1118 . 1 1 121 121 ILE HB H 1 1.431 0.02 . 1 . . . . . . . . 4919 1 1119 . 1 1 121 121 ILE HG21 H 1 0.474 0.02 . 1 . . . . . . . . 4919 1 1120 . 1 1 121 121 ILE HG22 H 1 0.474 0.02 . 1 . . . . . . . . 4919 1 1121 . 1 1 121 121 ILE HG23 H 1 0.474 0.02 . 1 . . . . . . . . 4919 1 1122 . 1 1 121 121 ILE HG12 H 1 -0.282 0.02 . 1 . . . . . . . . 4919 1 1123 . 1 1 121 121 ILE HG13 H 1 1.516 0.02 . 1 . . . . . . . . 4919 1 1124 . 1 1 121 121 ILE HD11 H 1 0.002 0.02 . 1 . . . . . . . . 4919 1 1125 . 1 1 121 121 ILE HD12 H 1 0.002 0.02 . 1 . . . . . . . . 4919 1 1126 . 1 1 121 121 ILE HD13 H 1 0.002 0.02 . 1 . . . . . . . . 4919 1 1127 . 1 1 121 121 ILE C C 13 178.500 0.1 . 1 . . . . . . . . 4919 1 1128 . 1 1 122 122 GLN N N 15 118.219 0.1 . 1 . . . . . . . . 4919 1 1129 . 1 1 122 122 GLN H H 1 8.695 0.02 . 1 . . . . . . . . 4919 1 1130 . 1 1 122 122 GLN CA C 13 60.375 0.1 . 1 . . . . . . . . 4919 1 1131 . 1 1 122 122 GLN HA H 1 3.766 0.02 . 1 . . . . . . . . 4919 1 1132 . 1 1 122 122 GLN HB2 H 1 1.749 0.02 . 2 . . . . . . . . 4919 1 1133 . 1 1 122 122 GLN HB3 H 1 1.883 0.02 . 2 . . . . . . . . 4919 1 1134 . 1 1 122 122 GLN HG2 H 1 2.005 0.02 . 2 . . . . . . . . 4919 1 1135 . 1 1 122 122 GLN HG3 H 1 2.230 0.02 . 2 . . . . . . . . 4919 1 1136 . 1 1 122 122 GLN NE2 N 15 108.600 0.1 . 1 . . . . . . . . 4919 1 1137 . 1 1 122 122 GLN HE21 H 1 6.556 0.02 . 1 . . . . . . . . 4919 1 1138 . 1 1 122 122 GLN HE22 H 1 7.010 0.02 . 1 . . . . . . . . 4919 1 1139 . 1 1 122 122 GLN C C 13 177.700 0.1 . 1 . . . . . . . . 4919 1 1140 . 1 1 123 123 ARG N N 15 118.425 0.1 . 1 . . . . . . . . 4919 1 1141 . 1 1 123 123 ARG H H 1 7.969 0.02 . 1 . . . . . . . . 4919 1 1142 . 1 1 123 123 ARG CA C 13 59.880 0.1 . 1 . . . . . . . . 4919 1 1143 . 1 1 123 123 ARG HA H 1 4.019 0.02 . 1 . . . . . . . . 4919 1 1144 . 1 1 123 123 ARG HB2 H 1 1.975 0.02 . 2 . . . . . . . . 4919 1 1145 . 1 1 123 123 ARG HB3 H 1 2.035 0.02 . 2 . . . . . . . . 4919 1 1146 . 1 1 123 123 ARG HG2 H 1 1.704 0.02 . 2 . . . . . . . . 4919 1 1147 . 1 1 123 123 ARG HG3 H 1 1.859 0.02 . 2 . . . . . . . . 4919 1 1148 . 1 1 123 123 ARG HD2 H 1 3.242 0.02 . 2 . . . . . . . . 4919 1 1149 . 1 1 123 123 ARG HD3 H 1 3.304 0.02 . 2 . . . . . . . . 4919 1 1150 . 1 1 123 123 ARG HE H 1 7.293 0.02 . 1 . . . . . . . . 4919 1 1151 . 1 1 123 123 ARG C C 13 179.400 0.1 . 1 . . . . . . . . 4919 1 1152 . 1 1 124 124 TRP N N 15 122.400 0.1 . 1 . . . . . . . . 4919 1 1153 . 1 1 124 124 TRP H H 1 7.964 0.02 . 1 . . . . . . . . 4919 1 1154 . 1 1 124 124 TRP CA C 13 61.300 0.1 . 1 . . . . . . . . 4919 1 1155 . 1 1 124 124 TRP HA H 1 4.443 0.02 . 1 . . . . . . . . 4919 1 1156 . 1 1 124 124 TRP HB2 H 1 3.512 0.02 . 1 . . . . . . . . 4919 1 1157 . 1 1 124 124 TRP HB3 H 1 3.621 0.02 . 1 . . . . . . . . 4919 1 1158 . 1 1 124 124 TRP NE1 N 15 130.500 0.1 . 1 . . . . . . . . 4919 1 1159 . 1 1 124 124 TRP HD1 H 1 7.532 0.02 . 1 . . . . . . . . 4919 1 1160 . 1 1 124 124 TRP HE3 H 1 7.349 0.02 . 1 . . . . . . . . 4919 1 1161 . 1 1 124 124 TRP HE1 H 1 10.243 0.02 . 1 . . . . . . . . 4919 1 1162 . 1 1 124 124 TRP HZ3 H 1 7.041 0.02 . 1 . . . . . . . . 4919 1 1163 . 1 1 124 124 TRP HZ2 H 1 7.323 0.02 . 1 . . . . . . . . 4919 1 1164 . 1 1 124 124 TRP HH2 H 1 6.657 0.02 . 1 . . . . . . . . 4919 1 1165 . 1 1 124 124 TRP C C 13 178.900 0.1 . 1 . . . . . . . . 4919 1 1166 . 1 1 125 125 LEU N N 15 120.400 0.1 . 1 . . . . . . . . 4919 1 1167 . 1 1 125 125 LEU H H 1 8.897 0.02 . 1 . . . . . . . . 4919 1 1168 . 1 1 125 125 LEU CA C 13 57.700 0.1 . 1 . . . . . . . . 4919 1 1169 . 1 1 125 125 LEU HA H 1 3.772 0.02 . 1 . . . . . . . . 4919 1 1170 . 1 1 125 125 LEU HB2 H 1 1.885 0.02 . 2 . . . . . . . . 4919 1 1171 . 1 1 125 125 LEU HB3 H 1 2.604 0.02 . 2 . . . . . . . . 4919 1 1172 . 1 1 125 125 LEU HG H 1 2.109 0.02 . 1 . . . . . . . . 4919 1 1173 . 1 1 125 125 LEU HD11 H 1 0.723 0.02 . 1 . . . . . . . . 4919 1 1174 . 1 1 125 125 LEU HD12 H 1 0.723 0.02 . 1 . . . . . . . . 4919 1 1175 . 1 1 125 125 LEU HD13 H 1 0.723 0.02 . 1 . . . . . . . . 4919 1 1176 . 1 1 125 125 LEU HD21 H 1 0.764 0.02 . 1 . . . . . . . . 4919 1 1177 . 1 1 125 125 LEU HD22 H 1 0.764 0.02 . 1 . . . . . . . . 4919 1 1178 . 1 1 125 125 LEU HD23 H 1 0.764 0.02 . 1 . . . . . . . . 4919 1 1179 . 1 1 125 125 LEU C C 13 179.400 0.1 . 1 . . . . . . . . 4919 1 1180 . 1 1 126 126 LYS N N 15 119.968 0.1 . 1 . . . . . . . . 4919 1 1181 . 1 1 126 126 LYS H H 1 8.155 0.02 . 1 . . . . . . . . 4919 1 1182 . 1 1 126 126 LYS CA C 13 59.600 0.1 . 1 . . . . . . . . 4919 1 1183 . 1 1 126 126 LYS HA H 1 4.342 0.02 . 1 . . . . . . . . 4919 1 1184 . 1 1 126 126 LYS HB2 H 1 1.814 0.02 . 1 . . . . . . . . 4919 1 1185 . 1 1 126 126 LYS HB3 H 1 1.814 0.02 . 1 . . . . . . . . 4919 1 1186 . 1 1 126 126 LYS HG2 H 1 1.429 0.02 . 4 . . . . . . . . 4919 1 1187 . 1 1 126 126 LYS HG3 H 1 1.429 0.02 . 4 . . . . . . . . 4919 1 1188 . 1 1 126 126 LYS HD2 H 1 1.498 0.02 . 4 . . . . . . . . 4919 1 1189 . 1 1 126 126 LYS HD3 H 1 1.498 0.02 . 4 . . . . . . . . 4919 1 1190 . 1 1 126 126 LYS HE2 H 1 2.881 0.02 . 1 . . . . . . . . 4919 1 1191 . 1 1 126 126 LYS HE3 H 1 2.881 0.02 . 1 . . . . . . . . 4919 1 1192 . 1 1 126 126 LYS C C 13 181.800 0.1 . 1 . . . . . . . . 4919 1 1193 . 1 1 127 127 GLY N N 15 108.346 0.1 . 1 . . . . . . . . 4919 1 1194 . 1 1 127 127 GLY H H 1 7.854 0.02 . 1 . . . . . . . . 4919 1 1195 . 1 1 127 127 GLY CA C 13 46.340 0.1 . 1 . . . . . . . . 4919 1 1196 . 1 1 127 127 GLY HA2 H 1 3.906 0.02 . 1 . . . . . . . . 4919 1 1197 . 1 1 127 127 GLY HA3 H 1 3.906 0.02 . 1 . . . . . . . . 4919 1 1198 . 1 1 127 127 GLY C C 13 175.400 0.1 . 1 . . . . . . . . 4919 1 1199 . 1 1 128 128 GLN N N 15 117.545 0.1 . 1 . . . . . . . . 4919 1 1200 . 1 1 128 128 GLN H H 1 7.269 0.02 . 1 . . . . . . . . 4919 1 1201 . 1 1 128 128 GLN CA C 13 54.083 0.1 . 1 . . . . . . . . 4919 1 1202 . 1 1 128 128 GLN HA H 1 3.995 0.02 . 1 . . . . . . . . 4919 1 1203 . 1 1 128 128 GLN HB2 H 1 1.356 0.02 . 2 . . . . . . . . 4919 1 1204 . 1 1 128 128 GLN HB3 H 1 1.951 0.02 . 2 . . . . . . . . 4919 1 1205 . 1 1 128 128 GLN HG2 H 1 1.854 0.02 . 2 . . . . . . . . 4919 1 1206 . 1 1 128 128 GLN HG3 H 1 2.013 0.02 . 2 . . . . . . . . 4919 1 1207 . 1 1 128 128 GLN NE2 N 15 112.300 0.1 . 1 . . . . . . . . 4919 1 1208 . 1 1 128 128 GLN HE21 H 1 6.340 0.02 . 1 . . . . . . . . 4919 1 1209 . 1 1 128 128 GLN HE22 H 1 6.579 0.02 . 1 . . . . . . . . 4919 1 1210 . 1 1 128 128 GLN C C 13 175.300 0.1 . 1 . . . . . . . . 4919 1 1211 . 1 1 129 129 GLY N N 15 104.823 0.1 . 1 . . . . . . . . 4919 1 1212 . 1 1 129 129 GLY H H 1 7.475 0.02 . 1 . . . . . . . . 4919 1 1213 . 1 1 129 129 GLY CA C 13 44.431 0.1 . 1 . . . . . . . . 4919 1 1214 . 1 1 129 129 GLY HA2 H 1 3.539 0.02 . 2 . . . . . . . . 4919 1 1215 . 1 1 129 129 GLY HA3 H 1 4.327 0.02 . 2 . . . . . . . . 4919 1 1216 . 1 1 129 129 GLY C C 13 173.700 0.1 . 1 . . . . . . . . 4919 1 1217 . 1 1 130 130 VAL N N 15 121.305 0.1 . 1 . . . . . . . . 4919 1 1218 . 1 1 130 130 VAL H H 1 7.278 0.02 . 1 . . . . . . . . 4919 1 1219 . 1 1 130 130 VAL CA C 13 61.401 0.1 . 1 . . . . . . . . 4919 1 1220 . 1 1 130 130 VAL HA H 1 3.236 0.02 . 1 . . . . . . . . 4919 1 1221 . 1 1 130 130 VAL HB H 1 1.168 0.02 . 1 . . . . . . . . 4919 1 1222 . 1 1 130 130 VAL HG11 H 1 -0.476 0.02 . 1 . . . . . . . . 4919 1 1223 . 1 1 130 130 VAL HG12 H 1 -0.476 0.02 . 1 . . . . . . . . 4919 1 1224 . 1 1 130 130 VAL HG13 H 1 -0.476 0.02 . 1 . . . . . . . . 4919 1 1225 . 1 1 130 130 VAL HG21 H 1 0.414 0.02 . 1 . . . . . . . . 4919 1 1226 . 1 1 130 130 VAL HG22 H 1 0.414 0.02 . 1 . . . . . . . . 4919 1 1227 . 1 1 130 130 VAL HG23 H 1 0.414 0.02 . 1 . . . . . . . . 4919 1 1228 . 1 1 130 130 VAL C C 13 175.100 0.1 . 1 . . . . . . . . 4919 1 1229 . 1 1 131 131 TYR N N 15 125.000 0.1 . 1 . . . . . . . . 4919 1 1230 . 1 1 131 131 TYR H H 1 8.671 0.02 . 1 . . . . . . . . 4919 1 1231 . 1 1 131 131 TYR CA C 13 57.900 0.1 . 1 . . . . . . . . 4919 1 1232 . 1 1 131 131 TYR HA H 1 4.604 0.02 . 1 . . . . . . . . 4919 1 1233 . 1 1 131 131 TYR HB2 H 1 3.022 0.02 . 2 . . . . . . . . 4919 1 1234 . 1 1 131 131 TYR HB3 H 1 3.104 0.02 . 2 . . . . . . . . 4919 1 1235 . 1 1 131 131 TYR HD1 H 1 7.159 0.02 . 1 . . . . . . . . 4919 1 1236 . 1 1 131 131 TYR HD2 H 1 7.159 0.02 . 1 . . . . . . . . 4919 1 1237 . 1 1 131 131 TYR HE1 H 1 6.822 0.02 . 1 . . . . . . . . 4919 1 1238 . 1 1 131 131 TYR HE2 H 1 6.822 0.02 . 1 . . . . . . . . 4919 1 1239 . 1 1 131 131 TYR C C 13 174.800 0.1 . 1 . . . . . . . . 4919 1 1240 . 1 1 132 132 LEU N N 15 124.400 0.1 . 1 . . . . . . . . 4919 1 1241 . 1 1 132 132 LEU H H 1 8.509 0.02 . 1 . . . . . . . . 4919 1 1242 . 1 1 132 132 LEU CA C 13 55.100 0.1 . 1 . . . . . . . . 4919 1 1243 . 1 1 132 132 LEU HA H 1 4.106 0.02 . 1 . . . . . . . . 4919 1 1244 . 1 1 132 132 LEU HB2 H 1 1.548 0.02 . 1 . . . . . . . . 4919 1 1245 . 1 1 132 132 LEU HB3 H 1 1.548 0.02 . 1 . . . . . . . . 4919 1 1246 . 1 1 132 132 LEU HG H 1 1.522 0.02 . 1 . . . . . . . . 4919 1 1247 . 1 1 132 132 LEU HD11 H 1 0.786 0.02 . 2 . . . . . . . . 4919 1 1248 . 1 1 132 132 LEU HD12 H 1 0.786 0.02 . 2 . . . . . . . . 4919 1 1249 . 1 1 132 132 LEU HD13 H 1 0.786 0.02 . 2 . . . . . . . . 4919 1 1250 . 1 1 132 132 LEU HD21 H 1 0.909 0.02 . 2 . . . . . . . . 4919 1 1251 . 1 1 132 132 LEU HD22 H 1 0.909 0.02 . 2 . . . . . . . . 4919 1 1252 . 1 1 132 132 LEU HD23 H 1 0.909 0.02 . 2 . . . . . . . . 4919 1 1253 . 1 1 132 132 LEU C C 13 174.800 0.1 . 1 . . . . . . . . 4919 1 1254 . 1 1 133 133 GLY N N 15 110.162 0.1 . 1 . . . . . . . . 4919 1 1255 . 1 1 133 133 GLY H H 1 8.393 0.02 . 1 . . . . . . . . 4919 1 1256 . 1 1 133 133 GLY CA C 13 45.018 0.1 . 1 . . . . . . . . 4919 1 1257 . 1 1 133 133 GLY HA2 H 1 3.934 0.02 . 2 . . . . . . . . 4919 1 1258 . 1 1 133 133 GLY HA3 H 1 4.018 0.02 . 2 . . . . . . . . 4919 1 1259 . 1 1 133 133 GLY C C 13 173.700 0.1 . 1 . . . . . . . . 4919 1 1260 . 1 1 134 134 MET N N 15 115.716 0.1 . 1 . . . . . . . . 4919 1 1261 . 1 1 134 134 MET H H 1 8.371 0.02 . 1 . . . . . . . . 4919 1 1262 . 1 1 134 134 MET CA C 13 57.865 0.1 . 1 . . . . . . . . 4919 1 1263 . 1 1 134 134 MET HA H 1 4.242 0.02 . 1 . . . . . . . . 4919 1 1264 . 1 1 134 134 MET HB2 H 1 2.098 0.02 . 2 . . . . . . . . 4919 1 1265 . 1 1 134 134 MET HB3 H 1 2.168 0.02 . 2 . . . . . . . . 4919 1 1266 . 1 1 134 134 MET HG2 H 1 2.511 0.02 . 2 . . . . . . . . 4919 1 1267 . 1 1 134 134 MET HG3 H 1 2.553 0.02 . 2 . . . . . . . . 4919 1 1268 . 1 1 134 134 MET HE1 H 1 2.043 0.02 . 1 . . . . . . . . 4919 1 1269 . 1 1 134 134 MET HE2 H 1 2.043 0.02 . 1 . . . . . . . . 4919 1 1270 . 1 1 134 134 MET HE3 H 1 2.043 0.02 . 1 . . . . . . . . 4919 1 1271 . 1 1 135 135 PRO CA C 13 63.500 0.1 . 1 . . . . . . . . 4919 1 1272 . 1 1 135 135 PRO HA H 1 4.577 0.02 . 1 . . . . . . . . 4919 1 1273 . 1 1 135 135 PRO HB2 H 1 2.305 0.02 . 1 . . . . . . . . 4919 1 1274 . 1 1 135 135 PRO HB3 H 1 2.305 0.02 . 1 . . . . . . . . 4919 1 1275 . 1 1 135 135 PRO HG2 H 1 1.847 0.02 . 1 . . . . . . . . 4919 1 1276 . 1 1 135 135 PRO HG3 H 1 1.847 0.02 . 1 . . . . . . . . 4919 1 1277 . 1 1 135 135 PRO HD2 H 1 3.099 0.02 . 2 . . . . . . . . 4919 1 1278 . 1 1 135 135 PRO HD3 H 1 3.195 0.02 . 2 . . . . . . . . 4919 1 1279 . 1 1 135 135 PRO C C 13 177.500 0.1 . 1 . . . . . . . . 4919 1 1280 . 1 1 136 136 GLY N N 15 109.887 0.1 . 1 . . . . . . . . 4919 1 1281 . 1 1 136 136 GLY H H 1 8.515 0.02 . 1 . . . . . . . . 4919 1 1282 . 1 1 136 136 GLY CA C 13 45.142 0.1 . 1 . . . . . . . . 4919 1 1283 . 1 1 136 136 GLY HA2 H 1 3.678 0.02 . 1 . . . . . . . . 4919 1 1284 . 1 1 136 136 GLY HA3 H 1 3.875 0.02 . 1 . . . . . . . . 4919 1 1285 . 1 1 136 136 GLY C C 13 174.100 0.1 . 1 . . . . . . . . 4919 1 1286 . 1 1 137 137 CYS N N 15 119.290 0.1 . 1 . . . . . . . . 4919 1 1287 . 1 1 137 137 CYS H H 1 7.455 0.02 . 1 . . . . . . . . 4919 1 1288 . 1 1 137 137 CYS CA C 13 42.452 0.1 . 1 . . . . . . . . 4919 1 1289 . 1 1 137 137 CYS HB2 H 1 2.881 0.02 . 2 . . . . . . . . 4919 1 1290 . 1 1 137 137 CYS HB3 H 1 3.173 0.02 . 2 . . . . . . . . 4919 1 stop_ save_