data_6625 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6625 _Entry.Title ; 1H, 13C and 15N assignments of a New Phosphohistidine Phosphatase Protein PHPT1 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-12 _Entry.Accession_date 2005-05-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Weibin Gong . . . 6625 2 Gaofeng Cui . . . 6625 3 Changwen Jin . . . 6625 4 Bin Xia . . . 6625 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6625 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 6625 '15N chemical shifts' 113 6625 '1H chemical shifts' 705 6625 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-09-08 2005-05-12 update BMRB 'complete entry citation' 6625 1 . . 2008-01-28 2005-05-12 original author 'original release' 6625 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6625 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636872 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N resonance assignments of human phosphohistidine phosphatase 1 (PHPT1)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _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 229 _Citation.Page_last 231 _Citation.Year 2007 _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 Weibin Gong . . . 6625 1 2 Gaofeng Cui . . . 6625 1 3 Changwen Jin . . . 6625 1 4 Bin Xia . . . 6625 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6625 _Assembly.ID 1 _Assembly.Name PHPT1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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_ _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 PHPT1 1 $phosphohistidine_phosphatase . . no native no no . . . 6625 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphohistidine_phosphatase _Entity.Sf_category entity _Entity.Sf_framecode phosphohistidine_phosphatase _Entity.Entry_ID 6625 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PHPT1 _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 ; MAVADLALIPDVDIDSDGVF KYVLIRVHSAPRSGAPAAES KEIVRGYKWAEYHADIYDKV SGDMQKQGCDCECLGGGRIS HQSQDKKIHVYGYSMAYGPA QHAISTEKIKAKYPDYEVTW ANDGY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15599 . entity_phpt1_lower . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 2 no PDB 2AI6 . "Solution Structure Of Human Phosphohistidine Phosphatase 1" . . . . . 99.20 125 100.00 100.00 1.74e-84 . . . . 6625 1 3 no PDB 2HW4 . "Crystal Structure Of Human Phosphohistidine Phosphatase" . . . . . 96.80 144 100.00 100.00 1.43e-82 . . . . 6625 1 4 no PDB 2NMM . "Crystal Structure Of Human Phosphohistidine Phosphatase. Northeast Structural Genomics Consortium Target Hr1409" . . . . . 99.20 135 98.39 98.39 6.18e-82 . . . . 6625 1 5 no PDB 2OZW . "Solution Structure Of Human Phosphohistidine Phosphatase 1 With Phosphate Ligand" . . . . . 99.20 125 100.00 100.00 1.74e-84 . . . . 6625 1 6 no PDB 2OZX . "Solution Structure Of Human Phosphohistidine Phosphatase 1 In Phosphate Free Form" . . . . . 99.20 125 100.00 100.00 1.74e-84 . . . . 6625 1 7 no DBJ BAI46371 . "phosphohistidine phosphatase 1 [synthetic construct]" . . . . . 100.00 125 97.60 98.40 7.52e-84 . . . . 6625 1 8 no EMBL CAB66579 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 125 97.60 98.40 7.52e-84 . . . . 6625 1 9 no EMBL CAG38512 . "PHP14 [Homo sapiens]" . . . . . 100.00 125 97.60 98.40 1.24e-83 . . . . 6625 1 10 no EMBL CAL38548 . "hypothetical protein [synthetic construct]" . . . . . 100.00 125 97.60 98.40 7.52e-84 . . . . 6625 1 11 no GB AAF80759 . "sex-regulated protein janus-a [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 12 no GB AAG01156 . "CGI-202 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 13 no GB AAH24648 . "Phosphohistidine phosphatase 1 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 14 no GB AAN52504 . "phosphohistidine phosphatase [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 15 no GB ACJ13700 . "epididymis secretory sperm binding protein Li 132P [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 16 no REF NP_001129333 . "14 kDa phosphohistidine phosphatase isoform 2 [Homo sapiens]" . . . . . 76.00 124 100.00 100.00 1.12e-60 . . . . 6625 1 17 no REF NP_001274271 . "14 kDa phosphohistidine phosphatase isoform 4 [Homo sapiens]" . . . . . 101.60 127 98.43 98.43 3.18e-83 . . . . 6625 1 18 no REF NP_054891 . "14 kDa phosphohistidine phosphatase isoform 3 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 1 19 no REF XP_001117869 . "PREDICTED: hypothetical protein LOC721674 [Macaca mulatta]" . . . . . 57.60 153 98.61 98.61 5.47e-44 . . . . 6625 1 20 no REF XP_003817025 . "PREDICTED: 14 kDa phosphohistidine phosphatase [Pan paniscus]" . . . . . 57.60 99 100.00 100.00 4.13e-44 . . . . 6625 1 21 no SP Q9NRX4 . "RecName: Full=14 kDa phosphohistidine phosphatase; AltName: Full=Phosphohistidine phosphatase 1; AltName: Full=Protein janus-A " . . . . . 100.00 125 100.00 100.00 2.94e-85 . . . . 6625 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 . 6625 1 2 . ALA . 6625 1 3 . VAL . 6625 1 4 . ALA . 6625 1 5 . ASP . 6625 1 6 . LEU . 6625 1 7 . ALA . 6625 1 8 . LEU . 6625 1 9 . ILE . 6625 1 10 . PRO . 6625 1 11 . ASP . 6625 1 12 . VAL . 6625 1 13 . ASP . 6625 1 14 . ILE . 6625 1 15 . ASP . 6625 1 16 . SER . 6625 1 17 . ASP . 6625 1 18 . GLY . 6625 1 19 . VAL . 6625 1 20 . PHE . 6625 1 21 . LYS . 6625 1 22 . TYR . 6625 1 23 . VAL . 6625 1 24 . LEU . 6625 1 25 . ILE . 6625 1 26 . ARG . 6625 1 27 . VAL . 6625 1 28 . HIS . 6625 1 29 . SER . 6625 1 30 . ALA . 6625 1 31 . PRO . 6625 1 32 . ARG . 6625 1 33 . SER . 6625 1 34 . GLY . 6625 1 35 . ALA . 6625 1 36 . PRO . 6625 1 37 . ALA . 6625 1 38 . ALA . 6625 1 39 . GLU . 6625 1 40 . SER . 6625 1 41 . LYS . 6625 1 42 . GLU . 6625 1 43 . ILE . 6625 1 44 . VAL . 6625 1 45 . ARG . 6625 1 46 . GLY . 6625 1 47 . TYR . 6625 1 48 . LYS . 6625 1 49 . TRP . 6625 1 50 . ALA . 6625 1 51 . GLU . 6625 1 52 . TYR . 6625 1 53 . HIS . 6625 1 54 . ALA . 6625 1 55 . ASP . 6625 1 56 . ILE . 6625 1 57 . TYR . 6625 1 58 . ASP . 6625 1 59 . LYS . 6625 1 60 . VAL . 6625 1 61 . SER . 6625 1 62 . GLY . 6625 1 63 . ASP . 6625 1 64 . MET . 6625 1 65 . GLN . 6625 1 66 . LYS . 6625 1 67 . GLN . 6625 1 68 . GLY . 6625 1 69 . CYS . 6625 1 70 . ASP . 6625 1 71 . CYS . 6625 1 72 . GLU . 6625 1 73 . CYS . 6625 1 74 . LEU . 6625 1 75 . GLY . 6625 1 76 . GLY . 6625 1 77 . GLY . 6625 1 78 . ARG . 6625 1 79 . ILE . 6625 1 80 . SER . 6625 1 81 . HIS . 6625 1 82 . GLN . 6625 1 83 . SER . 6625 1 84 . GLN . 6625 1 85 . ASP . 6625 1 86 . LYS . 6625 1 87 . LYS . 6625 1 88 . ILE . 6625 1 89 . HIS . 6625 1 90 . VAL . 6625 1 91 . TYR . 6625 1 92 . GLY . 6625 1 93 . TYR . 6625 1 94 . SER . 6625 1 95 . MET . 6625 1 96 . ALA . 6625 1 97 . TYR . 6625 1 98 . GLY . 6625 1 99 . PRO . 6625 1 100 . ALA . 6625 1 101 . GLN . 6625 1 102 . HIS . 6625 1 103 . ALA . 6625 1 104 . ILE . 6625 1 105 . SER . 6625 1 106 . THR . 6625 1 107 . GLU . 6625 1 108 . LYS . 6625 1 109 . ILE . 6625 1 110 . LYS . 6625 1 111 . ALA . 6625 1 112 . LYS . 6625 1 113 . TYR . 6625 1 114 . PRO . 6625 1 115 . ASP . 6625 1 116 . TYR . 6625 1 117 . GLU . 6625 1 118 . VAL . 6625 1 119 . THR . 6625 1 120 . TRP . 6625 1 121 . ALA . 6625 1 122 . ASN . 6625 1 123 . ASP . 6625 1 124 . GLY . 6625 1 125 . TYR . 6625 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 6625 1 . ALA 2 2 6625 1 . VAL 3 3 6625 1 . ALA 4 4 6625 1 . ASP 5 5 6625 1 . LEU 6 6 6625 1 . ALA 7 7 6625 1 . LEU 8 8 6625 1 . ILE 9 9 6625 1 . PRO 10 10 6625 1 . ASP 11 11 6625 1 . VAL 12 12 6625 1 . ASP 13 13 6625 1 . ILE 14 14 6625 1 . ASP 15 15 6625 1 . SER 16 16 6625 1 . ASP 17 17 6625 1 . GLY 18 18 6625 1 . VAL 19 19 6625 1 . PHE 20 20 6625 1 . LYS 21 21 6625 1 . TYR 22 22 6625 1 . VAL 23 23 6625 1 . LEU 24 24 6625 1 . ILE 25 25 6625 1 . ARG 26 26 6625 1 . VAL 27 27 6625 1 . HIS 28 28 6625 1 . SER 29 29 6625 1 . ALA 30 30 6625 1 . PRO 31 31 6625 1 . ARG 32 32 6625 1 . SER 33 33 6625 1 . GLY 34 34 6625 1 . ALA 35 35 6625 1 . PRO 36 36 6625 1 . ALA 37 37 6625 1 . ALA 38 38 6625 1 . GLU 39 39 6625 1 . SER 40 40 6625 1 . LYS 41 41 6625 1 . GLU 42 42 6625 1 . ILE 43 43 6625 1 . VAL 44 44 6625 1 . ARG 45 45 6625 1 . GLY 46 46 6625 1 . TYR 47 47 6625 1 . LYS 48 48 6625 1 . TRP 49 49 6625 1 . ALA 50 50 6625 1 . GLU 51 51 6625 1 . TYR 52 52 6625 1 . HIS 53 53 6625 1 . ALA 54 54 6625 1 . ASP 55 55 6625 1 . ILE 56 56 6625 1 . TYR 57 57 6625 1 . ASP 58 58 6625 1 . LYS 59 59 6625 1 . VAL 60 60 6625 1 . SER 61 61 6625 1 . GLY 62 62 6625 1 . ASP 63 63 6625 1 . MET 64 64 6625 1 . GLN 65 65 6625 1 . LYS 66 66 6625 1 . GLN 67 67 6625 1 . GLY 68 68 6625 1 . CYS 69 69 6625 1 . ASP 70 70 6625 1 . CYS 71 71 6625 1 . GLU 72 72 6625 1 . CYS 73 73 6625 1 . LEU 74 74 6625 1 . GLY 75 75 6625 1 . GLY 76 76 6625 1 . GLY 77 77 6625 1 . ARG 78 78 6625 1 . ILE 79 79 6625 1 . SER 80 80 6625 1 . HIS 81 81 6625 1 . GLN 82 82 6625 1 . SER 83 83 6625 1 . GLN 84 84 6625 1 . ASP 85 85 6625 1 . LYS 86 86 6625 1 . LYS 87 87 6625 1 . ILE 88 88 6625 1 . HIS 89 89 6625 1 . VAL 90 90 6625 1 . TYR 91 91 6625 1 . GLY 92 92 6625 1 . TYR 93 93 6625 1 . SER 94 94 6625 1 . MET 95 95 6625 1 . ALA 96 96 6625 1 . TYR 97 97 6625 1 . GLY 98 98 6625 1 . PRO 99 99 6625 1 . ALA 100 100 6625 1 . GLN 101 101 6625 1 . HIS 102 102 6625 1 . ALA 103 103 6625 1 . ILE 104 104 6625 1 . SER 105 105 6625 1 . THR 106 106 6625 1 . GLU 107 107 6625 1 . LYS 108 108 6625 1 . ILE 109 109 6625 1 . LYS 110 110 6625 1 . ALA 111 111 6625 1 . LYS 112 112 6625 1 . TYR 113 113 6625 1 . PRO 114 114 6625 1 . ASP 115 115 6625 1 . TYR 116 116 6625 1 . GLU 117 117 6625 1 . VAL 118 118 6625 1 . THR 119 119 6625 1 . TRP 120 120 6625 1 . ALA 121 121 6625 1 . ASN 122 122 6625 1 . ASP 123 123 6625 1 . GLY 124 124 6625 1 . TYR 125 125 6625 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 6625 _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 $phosphohistidine_phosphatase . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6625 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 6625 _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 $phosphohistidine_phosphatase . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6625 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6625 _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 PHPT1 '[U-15N; U-13C]' 1 $assembly 1 $phosphohistidine_phosphatase . . 0.8 . . mM . . . . 6625 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6625 _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 7.2 0.05 pH 6625 1 temperature 298 0.2 K 6625 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_1 _NMR_spectrometer.Entry_ID 6625 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_2 _NMR_spectrometer.Entry_ID 6625 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6625 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 5 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 6 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 7 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 8 CCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 9 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6625 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6625 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6625 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6625 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6625 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6625 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 . . . . 6625 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 4.433 0.03 . 1 . . . . 1 MET HA . 6625 1 2 . 1 1 1 1 MET HB2 H 1 1.940 0.03 . 2 . . . . 1 MET HB1 . 6625 1 3 . 1 1 1 1 MET HB3 H 1 2.031 0.03 . 2 . . . . 1 MET HB2 . 6625 1 4 . 1 1 1 1 MET C C 13 175.455 0.3 . 1 . . . . 1 MET C . 6625 1 5 . 1 1 1 1 MET CA C 13 55.300 0.3 . 1 . . . . 1 MET CA . 6625 1 6 . 1 1 1 1 MET CB C 13 33.200 0.3 . 1 . . . . 1 MET CB . 6625 1 7 . 1 1 2 2 ALA H H 1 8.361 0.03 . 1 . . . . 2 ALA HN . 6625 1 8 . 1 1 2 2 ALA HA H 1 4.356 0.03 . 1 . . . . 2 ALA HA . 6625 1 9 . 1 1 2 2 ALA HB1 H 1 1.351 0.03 . 1 . . . . 2 ALA HB1 . 6625 1 10 . 1 1 2 2 ALA HB2 H 1 1.351 0.03 . 1 . . . . 2 ALA HB1 . 6625 1 11 . 1 1 2 2 ALA HB3 H 1 1.351 0.03 . 1 . . . . 2 ALA HB1 . 6625 1 12 . 1 1 2 2 ALA C C 13 177.292 0.3 . 1 . . . . 2 ALA C . 6625 1 13 . 1 1 2 2 ALA CA C 13 52.370 0.3 . 1 . . . . 2 ALA CA . 6625 1 14 . 1 1 2 2 ALA CB C 13 19.360 0.3 . 1 . . . . 2 ALA CB . 6625 1 15 . 1 1 2 2 ALA N N 15 126.960 0.3 . 1 . . . . 2 ALA N . 6625 1 16 . 1 1 3 3 VAL H H 1 8.058 0.03 . 1 . . . . 3 VAL HN . 6625 1 17 . 1 1 3 3 VAL HA H 1 4.156 0.03 . 1 . . . . 3 VAL HA . 6625 1 18 . 1 1 3 3 VAL HB H 1 2.071 0.03 . 1 . . . . 3 VAL HB . 6625 1 19 . 1 1 3 3 VAL HG11 H 1 0.964 0.03 . 2 . . . . 3 VAL HG11 . 6625 1 20 . 1 1 3 3 VAL HG12 H 1 0.964 0.03 . 2 . . . . 3 VAL HG11 . 6625 1 21 . 1 1 3 3 VAL HG13 H 1 0.964 0.03 . 2 . . . . 3 VAL HG11 . 6625 1 22 . 1 1 3 3 VAL HG21 H 1 0.964 0.03 . 2 . . . . 3 VAL HG21 . 6625 1 23 . 1 1 3 3 VAL HG22 H 1 0.964 0.03 . 2 . . . . 3 VAL HG21 . 6625 1 24 . 1 1 3 3 VAL HG23 H 1 0.964 0.03 . 2 . . . . 3 VAL HG21 . 6625 1 25 . 1 1 3 3 VAL C C 13 175.840 0.3 . 1 . . . . 3 VAL C . 6625 1 26 . 1 1 3 3 VAL CA C 13 61.980 0.3 . 1 . . . . 3 VAL CA . 6625 1 27 . 1 1 3 3 VAL CB C 13 33.030 0.3 . 1 . . . . 3 VAL CB . 6625 1 28 . 1 1 3 3 VAL CG1 C 13 20.760 0.3 . 1 . . . . 3 VAL CG1 . 6625 1 29 . 1 1 3 3 VAL CG2 C 13 21.510 0.3 . 1 . . . . 3 VAL CG2 . 6625 1 30 . 1 1 3 3 VAL N N 15 119.930 0.3 . 1 . . . . 3 VAL N . 6625 1 31 . 1 1 4 4 ALA H H 1 8.445 0.03 . 1 . . . . 4 ALA HN . 6625 1 32 . 1 1 4 4 ALA HA H 1 4.294 0.03 . 1 . . . . 4 ALA HA . 6625 1 33 . 1 1 4 4 ALA HB1 H 1 1.321 0.03 . 1 . . . . 4 ALA HB1 . 6625 1 34 . 1 1 4 4 ALA HB2 H 1 1.321 0.03 . 1 . . . . 4 ALA HB1 . 6625 1 35 . 1 1 4 4 ALA HB3 H 1 1.321 0.03 . 1 . . . . 4 ALA HB1 . 6625 1 36 . 1 1 4 4 ALA C C 13 176.819 0.3 . 1 . . . . 4 ALA C . 6625 1 37 . 1 1 4 4 ALA CA C 13 52.650 0.3 . 1 . . . . 4 ALA CA . 6625 1 38 . 1 1 4 4 ALA CB C 13 19.760 0.3 . 1 . . . . 4 ALA CB . 6625 1 39 . 1 1 4 4 ALA N N 15 128.700 0.3 . 1 . . . . 4 ALA N . 6625 1 40 . 1 1 5 5 ASP H H 1 8.014 0.03 . 1 . . . . 5 ASP HN . 6625 1 41 . 1 1 5 5 ASP HA H 1 4.626 0.03 . 1 . . . . 5 ASP HA . 6625 1 42 . 1 1 5 5 ASP HB2 H 1 2.574 0.03 . 2 . . . . 5 ASP HB1 . 6625 1 43 . 1 1 5 5 ASP HB3 H 1 2.759 0.03 . 2 . . . . 5 ASP HB2 . 6625 1 44 . 1 1 5 5 ASP C C 13 177.869 0.3 . 1 . . . . 5 ASP C . 6625 1 45 . 1 1 5 5 ASP CA C 13 53.600 0.3 . 1 . . . . 5 ASP CA . 6625 1 46 . 1 1 5 5 ASP CB C 13 41.320 0.3 . 1 . . . . 5 ASP CB . 6625 1 47 . 1 1 5 5 ASP N N 15 120.500 0.3 . 1 . . . . 5 ASP N . 6625 1 48 . 1 1 6 6 LEU H H 1 8.701 0.03 . 1 . . . . 6 LEU HN . 6625 1 49 . 1 1 6 6 LEU HA H 1 3.922 0.03 . 1 . . . . 6 LEU HA . 6625 1 50 . 1 1 6 6 LEU HB2 H 1 1.343 0.03 . 2 . . . . 6 LEU HB1 . 6625 1 51 . 1 1 6 6 LEU HB3 H 1 1.773 0.03 . 2 . . . . 6 LEU HB2 . 6625 1 52 . 1 1 6 6 LEU HG H 1 1.689 0.03 . 1 . . . . 6 LEU HG . 6625 1 53 . 1 1 6 6 LEU HD11 H 1 0.750 0.03 . 2 . . . . 6 LEU HD11 . 6625 1 54 . 1 1 6 6 LEU HD12 H 1 0.750 0.03 . 2 . . . . 6 LEU HD11 . 6625 1 55 . 1 1 6 6 LEU HD13 H 1 0.750 0.03 . 2 . . . . 6 LEU HD11 . 6625 1 56 . 1 1 6 6 LEU HD21 H 1 0.668 0.03 . 2 . . . . 6 LEU HD21 . 6625 1 57 . 1 1 6 6 LEU HD22 H 1 0.668 0.03 . 2 . . . . 6 LEU HD21 . 6625 1 58 . 1 1 6 6 LEU HD23 H 1 0.668 0.03 . 2 . . . . 6 LEU HD21 . 6625 1 59 . 1 1 6 6 LEU C C 13 178.638 0.3 . 1 . . . . 6 LEU C . 6625 1 60 . 1 1 6 6 LEU CA C 13 57.170 0.3 . 1 . . . . 6 LEU CA . 6625 1 61 . 1 1 6 6 LEU CB C 13 41.300 0.3 . 1 . . . . 6 LEU CB . 6625 1 62 . 1 1 6 6 LEU CG C 13 27.260 0.3 . 1 . . . . 6 LEU CG . 6625 1 63 . 1 1 6 6 LEU CD1 C 13 25.510 0.3 . 1 . . . . 6 LEU CD1 . 6625 1 64 . 1 1 6 6 LEU CD2 C 13 23.760 0.3 . 1 . . . . 6 LEU CD2 . 6625 1 65 . 1 1 6 6 LEU N N 15 125.320 0.3 . 1 . . . . 6 LEU N . 6625 1 66 . 1 1 7 7 ALA H H 1 8.243 0.03 . 1 . . . . 7 ALA HN . 6625 1 67 . 1 1 7 7 ALA HA H 1 4.106 0.03 . 1 . . . . 7 ALA HA . 6625 1 68 . 1 1 7 7 ALA HB1 H 1 1.413 0.03 . 1 . . . . 7 ALA HB1 . 6625 1 69 . 1 1 7 7 ALA HB2 H 1 1.413 0.03 . 1 . . . . 7 ALA HB1 . 6625 1 70 . 1 1 7 7 ALA HB3 H 1 1.413 0.03 . 1 . . . . 7 ALA HB1 . 6625 1 71 . 1 1 7 7 ALA C C 13 179.285 0.3 . 1 . . . . 7 ALA C . 6625 1 72 . 1 1 7 7 ALA CA C 13 54.150 0.3 . 1 . . . . 7 ALA CA . 6625 1 73 . 1 1 7 7 ALA CB C 13 18.260 0.3 . 1 . . . . 7 ALA CB . 6625 1 74 . 1 1 7 7 ALA N N 15 120.400 0.3 . 1 . . . . 7 ALA N . 6625 1 75 . 1 1 8 8 LEU H H 1 7.412 0.03 . 1 . . . . 8 LEU HN . 6625 1 76 . 1 1 8 8 LEU HA H 1 4.200 0.03 . 1 . . . . 8 LEU HA . 6625 1 77 . 1 1 8 8 LEU HB2 H 1 1.694 0.03 . 2 . . . . 8 LEU HB1 . 6625 1 78 . 1 1 8 8 LEU HB3 H 1 1.758 0.03 . 2 . . . . 8 LEU HB2 . 6625 1 79 . 1 1 8 8 LEU HG H 1 1.620 0.03 . 1 . . . . 8 LEU HG . 6625 1 80 . 1 1 8 8 LEU HD11 H 1 0.988 0.03 . 2 . . . . 8 LEU HD11 . 6625 1 81 . 1 1 8 8 LEU HD12 H 1 0.988 0.03 . 2 . . . . 8 LEU HD11 . 6625 1 82 . 1 1 8 8 LEU HD13 H 1 0.988 0.03 . 2 . . . . 8 LEU HD11 . 6625 1 83 . 1 1 8 8 LEU HD21 H 1 0.825 0.03 . 2 . . . . 8 LEU HD21 . 6625 1 84 . 1 1 8 8 LEU HD22 H 1 0.825 0.03 . 2 . . . . 8 LEU HD21 . 6625 1 85 . 1 1 8 8 LEU HD23 H 1 0.825 0.03 . 2 . . . . 8 LEU HD21 . 6625 1 86 . 1 1 8 8 LEU C C 13 177.239 0.3 . 1 . . . . 8 LEU C . 6625 1 87 . 1 1 8 8 LEU CA C 13 54.700 0.3 . 1 . . . . 8 LEU CA . 6625 1 88 . 1 1 8 8 LEU CB C 13 41.780 0.3 . 1 . . . . 8 LEU CB . 6625 1 89 . 1 1 8 8 LEU CG C 13 27.240 0.3 . 1 . . . . 8 LEU CG . 6625 1 90 . 1 1 8 8 LEU CD1 C 13 25.510 0.3 . 1 . . . . 8 LEU CD1 . 6625 1 91 . 1 1 8 8 LEU CD2 C 13 22.520 0.3 . 1 . . . . 8 LEU CD2 . 6625 1 92 . 1 1 8 8 LEU N N 15 115.960 0.3 . 1 . . . . 8 LEU N . 6625 1 93 . 1 1 9 9 ILE H H 1 7.407 0.03 . 1 . . . . 9 ILE HN . 6625 1 94 . 1 1 9 9 ILE HA H 1 4.285 0.03 . 1 . . . . 9 ILE HA . 6625 1 95 . 1 1 9 9 ILE HB H 1 1.828 0.03 . 1 . . . . 9 ILE HB . 6625 1 96 . 1 1 9 9 ILE HG12 H 1 1.071 0.03 . 2 . . . . 9 ILE HG11 . 6625 1 97 . 1 1 9 9 ILE HG13 H 1 1.548 0.03 . 2 . . . . 9 ILE HG12 . 6625 1 98 . 1 1 9 9 ILE HG21 H 1 0.792 0.03 . 1 . . . . 9 ILE HG21 . 6625 1 99 . 1 1 9 9 ILE HG22 H 1 0.792 0.03 . 1 . . . . 9 ILE HG21 . 6625 1 100 . 1 1 9 9 ILE HG23 H 1 0.792 0.03 . 1 . . . . 9 ILE HG21 . 6625 1 101 . 1 1 9 9 ILE HD11 H 1 0.840 0.03 . 1 . . . . 9 ILE HD11 . 6625 1 102 . 1 1 9 9 ILE HD12 H 1 0.840 0.03 . 1 . . . . 9 ILE HD11 . 6625 1 103 . 1 1 9 9 ILE HD13 H 1 0.840 0.03 . 1 . . . . 9 ILE HD11 . 6625 1 104 . 1 1 9 9 ILE C C 13 174.073 0.3 . 1 . . . . 9 ILE C . 6625 1 105 . 1 1 9 9 ILE CA C 13 58.230 0.3 . 1 . . . . 9 ILE CA . 6625 1 106 . 1 1 9 9 ILE CB C 13 39.340 0.3 . 1 . . . . 9 ILE CB . 6625 1 107 . 1 1 9 9 ILE CG1 C 13 27.230 0.3 . 1 . . . . 9 ILE CG1 . 6625 1 108 . 1 1 9 9 ILE CG2 C 13 17.040 0.3 . 1 . . . . 9 ILE CG2 . 6625 1 109 . 1 1 9 9 ILE CD1 C 13 14.680 0.3 . 1 . . . . 9 ILE CD1 . 6625 1 110 . 1 1 9 9 ILE N N 15 123.360 0.3 . 1 . . . . 9 ILE N . 6625 1 111 . 1 1 10 10 PRO HA H 1 4.776 0.03 . 1 . . . . 10 PRO HA . 6625 1 112 . 1 1 10 10 PRO C C 13 178.796 0.3 . 1 . . . . 10 PRO C . 6625 1 113 . 1 1 10 10 PRO CA C 13 63.210 0.3 . 1 . . . . 10 PRO CA . 6625 1 114 . 1 1 10 10 PRO CB C 13 31.980 0.3 . 1 . . . . 10 PRO CB . 6625 1 115 . 1 1 11 11 ASP H H 1 8.916 0.03 . 1 . . . . 11 ASP HN . 6625 1 116 . 1 1 11 11 ASP HA H 1 4.481 0.03 . 1 . . . . 11 ASP HA . 6625 1 117 . 1 1 11 11 ASP HB2 H 1 2.573 0.03 . 2 . . . . 11 ASP HB1 . 6625 1 118 . 1 1 11 11 ASP HB3 H 1 2.855 0.03 . 2 . . . . 11 ASP HB2 . 6625 1 119 . 1 1 11 11 ASP CA C 13 57.850 0.3 . 1 . . . . 11 ASP CA . 6625 1 120 . 1 1 11 11 ASP CB C 13 41.250 0.3 . 1 . . . . 11 ASP CB . 6625 1 121 . 1 1 11 11 ASP N N 15 126.760 0.3 . 1 . . . . 11 ASP N . 6625 1 122 . 1 1 12 12 VAL H H 1 8.401 0.03 . 1 . . . . 12 VAL HN . 6625 1 123 . 1 1 12 12 VAL HA H 1 4.425 0.03 . 1 . . . . 12 VAL HA . 6625 1 124 . 1 1 12 12 VAL HB H 1 1.877 0.03 . 1 . . . . 12 VAL HB . 6625 1 125 . 1 1 12 12 VAL HG11 H 1 0.716 0.03 . 2 . . . . 12 VAL HG11 . 6625 1 126 . 1 1 12 12 VAL HG12 H 1 0.716 0.03 . 2 . . . . 12 VAL HG11 . 6625 1 127 . 1 1 12 12 VAL HG13 H 1 0.716 0.03 . 2 . . . . 12 VAL HG11 . 6625 1 128 . 1 1 12 12 VAL HG21 H 1 0.898 0.03 . 2 . . . . 12 VAL HG21 . 6625 1 129 . 1 1 12 12 VAL HG22 H 1 0.898 0.03 . 2 . . . . 12 VAL HG21 . 6625 1 130 . 1 1 12 12 VAL HG23 H 1 0.898 0.03 . 2 . . . . 12 VAL HG21 . 6625 1 131 . 1 1 12 12 VAL C C 13 173.628 0.3 . 1 . . . . 12 VAL C . 6625 1 132 . 1 1 12 12 VAL CA C 13 61.250 0.3 . 1 . . . . 12 VAL CA . 6625 1 133 . 1 1 12 12 VAL CB C 13 35.810 0.3 . 1 . . . . 12 VAL CB . 6625 1 134 . 1 1 12 12 VAL CG1 C 13 22.650 0.3 . 1 . . . . 12 VAL CG1 . 6625 1 135 . 1 1 12 12 VAL CG2 C 13 23.250 0.3 . 1 . . . . 12 VAL CG2 . 6625 1 136 . 1 1 12 12 VAL N N 15 117.270 0.3 . 1 . . . . 12 VAL N . 6625 1 137 . 1 1 13 13 ASP H H 1 7.524 0.03 . 1 . . . . 13 ASP HN . 6625 1 138 . 1 1 13 13 ASP HA H 1 4.887 0.03 . 1 . . . . 13 ASP HA . 6625 1 139 . 1 1 13 13 ASP HB2 H 1 2.332 0.03 . 2 . . . . 13 ASP HB1 . 6625 1 140 . 1 1 13 13 ASP HB3 H 1 2.736 0.03 . 2 . . . . 13 ASP HB2 . 6625 1 141 . 1 1 13 13 ASP C C 13 173.016 0.3 . 1 . . . . 13 ASP C . 6625 1 142 . 1 1 13 13 ASP CA C 13 55.770 0.3 . 1 . . . . 13 ASP CA . 6625 1 143 . 1 1 13 13 ASP CB C 13 42.230 0.3 . 1 . . . . 13 ASP CB . 6625 1 144 . 1 1 13 13 ASP N N 15 126.790 0.3 . 1 . . . . 13 ASP N . 6625 1 145 . 1 1 14 14 ILE H H 1 8.407 0.03 . 1 . . . . 14 ILE HN . 6625 1 146 . 1 1 14 14 ILE HA H 1 5.391 0.03 . 1 . . . . 14 ILE HA . 6625 1 147 . 1 1 14 14 ILE HB H 1 2.032 0.03 . 1 . . . . 14 ILE HB . 6625 1 148 . 1 1 14 14 ILE HG12 H 1 1.690 0.03 . 2 . . . . 14 ILE HG11 . 6625 1 149 . 1 1 14 14 ILE HG13 H 1 0.920 0.03 . 2 . . . . 14 ILE HG12 . 6625 1 150 . 1 1 14 14 ILE HG21 H 1 0.662 0.03 . 1 . . . . 14 ILE HG21 . 6625 1 151 . 1 1 14 14 ILE HG22 H 1 0.662 0.03 . 1 . . . . 14 ILE HG21 . 6625 1 152 . 1 1 14 14 ILE HG23 H 1 0.662 0.03 . 1 . . . . 14 ILE HG21 . 6625 1 153 . 1 1 14 14 ILE HD11 H 1 0.656 0.03 . 1 . . . . 14 ILE HD11 . 6625 1 154 . 1 1 14 14 ILE HD12 H 1 0.656 0.03 . 1 . . . . 14 ILE HD11 . 6625 1 155 . 1 1 14 14 ILE HD13 H 1 0.656 0.03 . 1 . . . . 14 ILE HD11 . 6625 1 156 . 1 1 14 14 ILE CA C 13 57.410 0.3 . 1 . . . . 14 ILE CA . 6625 1 157 . 1 1 14 14 ILE CB C 13 42.960 0.3 . 1 . . . . 14 ILE CB . 6625 1 158 . 1 1 14 14 ILE CG1 C 13 24.710 0.3 . 1 . . . . 14 ILE CG1 . 6625 1 159 . 1 1 14 14 ILE CG2 C 13 17.870 0.3 . 1 . . . . 14 ILE CG2 . 6625 1 160 . 1 1 14 14 ILE CD1 C 13 17.640 0.3 . 1 . . . . 14 ILE CD1 . 6625 1 161 . 1 1 14 14 ILE N N 15 117.450 0.3 . 1 . . . . 14 ILE N . 6625 1 162 . 1 1 15 15 ASP HA H 1 4.636 0.03 . 1 . . . . 15 ASP HA . 6625 1 163 . 1 1 15 15 ASP HB2 H 1 2.714 0.03 . 2 . . . . 15 ASP HB1 . 6625 1 164 . 1 1 15 15 ASP HB3 H 1 2.267 0.03 . 2 . . . . 15 ASP HB2 . 6625 1 165 . 1 1 15 15 ASP CA C 13 53.810 0.3 . 1 . . . . 15 ASP CA . 6625 1 166 . 1 1 15 15 ASP CB C 13 41.960 0.3 . 1 . . . . 15 ASP CB . 6625 1 167 . 1 1 18 18 GLY C C 13 181.629 0.3 . 1 . . . . 18 GLY C . 6625 1 168 . 1 1 19 19 VAL H H 1 8.372 0.03 . 1 . . . . 19 VAL HN . 6625 1 169 . 1 1 19 19 VAL HA H 1 5.282 0.03 . 1 . . . . 19 VAL HA . 6625 1 170 . 1 1 19 19 VAL HB H 1 1.932 0.03 . 1 . . . . 19 VAL HB . 6625 1 171 . 1 1 19 19 VAL HG11 H 1 0.842 0.03 . 2 . . . . 19 VAL HG11 . 6625 1 172 . 1 1 19 19 VAL HG12 H 1 0.842 0.03 . 2 . . . . 19 VAL HG11 . 6625 1 173 . 1 1 19 19 VAL HG13 H 1 0.842 0.03 . 2 . . . . 19 VAL HG11 . 6625 1 174 . 1 1 19 19 VAL HG21 H 1 0.982 0.03 . 2 . . . . 19 VAL HG21 . 6625 1 175 . 1 1 19 19 VAL HG22 H 1 0.982 0.03 . 2 . . . . 19 VAL HG21 . 6625 1 176 . 1 1 19 19 VAL HG23 H 1 0.982 0.03 . 2 . . . . 19 VAL HG21 . 6625 1 177 . 1 1 19 19 VAL C C 13 176.574 0.3 . 1 . . . . 19 VAL C . 6625 1 178 . 1 1 19 19 VAL CA C 13 60.760 0.3 . 1 . . . . 19 VAL CA . 6625 1 179 . 1 1 19 19 VAL CB C 13 33.590 0.3 . 1 . . . . 19 VAL CB . 6625 1 180 . 1 1 19 19 VAL CG1 C 13 21.600 0.3 . 1 . . . . 19 VAL CG1 . 6625 1 181 . 1 1 19 19 VAL CG2 C 13 21.190 0.3 . 1 . . . . 19 VAL CG2 . 6625 1 182 . 1 1 19 19 VAL N N 15 120.700 0.3 . 1 . . . . 19 VAL N . 6625 1 183 . 1 1 20 20 PHE H H 1 8.221 0.03 . 1 . . . . 20 PHE HN . 6625 1 184 . 1 1 20 20 PHE HA H 1 5.147 0.03 . 1 . . . . 20 PHE HA . 6625 1 185 . 1 1 20 20 PHE HB2 H 1 2.730 0.03 . 2 . . . . 20 PHE HB1 . 6625 1 186 . 1 1 20 20 PHE HB3 H 1 3.032 0.03 . 2 . . . . 20 PHE HB2 . 6625 1 187 . 1 1 20 20 PHE C C 13 173.933 0.3 . 1 . . . . 20 PHE C . 6625 1 188 . 1 1 20 20 PHE CA C 13 54.310 0.3 . 1 . . . . 20 PHE CA . 6625 1 189 . 1 1 20 20 PHE CB C 13 40.130 0.3 . 1 . . . . 20 PHE CB . 6625 1 190 . 1 1 20 20 PHE N N 15 121.930 0.3 . 1 . . . . 20 PHE N . 6625 1 191 . 1 1 21 21 LYS H H 1 8.794 0.03 . 1 . . . . 21 LYS HN . 6625 1 192 . 1 1 21 21 LYS HA H 1 4.414 0.03 . 1 . . . . 21 LYS HA . 6625 1 193 . 1 1 21 21 LYS HB2 H 1 0.457 0.03 . 2 . . . . 21 LYS HB1 . 6625 1 194 . 1 1 21 21 LYS HB3 H 1 1.335 0.03 . 2 . . . . 21 LYS HB2 . 6625 1 195 . 1 1 21 21 LYS HD2 H 1 1.412 0.03 . 2 . . . . 21 LYS HD1 . 6625 1 196 . 1 1 21 21 LYS HD3 H 1 1.660 0.03 . 2 . . . . 21 LYS HD2 . 6625 1 197 . 1 1 21 21 LYS HE2 H 1 2.833 0.03 . 2 . . . . 21 LYS HE1 . 6625 1 198 . 1 1 21 21 LYS HE3 H 1 2.931 0.03 . 2 . . . . 21 LYS HE2 . 6625 1 199 . 1 1 21 21 LYS C C 13 173.645 0.3 . 1 . . . . 21 LYS C . 6625 1 200 . 1 1 21 21 LYS CA C 13 57.800 0.3 . 1 . . . . 21 LYS CA . 6625 1 201 . 1 1 21 21 LYS CB C 13 33.680 0.3 . 1 . . . . 21 LYS CB . 6625 1 202 . 1 1 21 21 LYS CG C 13 28.010 0.3 . 1 . . . . 21 LYS CG . 6625 1 203 . 1 1 21 21 LYS CD C 13 29.010 0.3 . 1 . . . . 21 LYS CD . 6625 1 204 . 1 1 21 21 LYS CE C 13 42.640 0.3 . 1 . . . . 21 LYS CE . 6625 1 205 . 1 1 21 21 LYS N N 15 121.120 0.3 . 1 . . . . 21 LYS N . 6625 1 206 . 1 1 22 22 TYR H H 1 8.357 0.03 . 1 . . . . 22 TYR HN . 6625 1 207 . 1 1 22 22 TYR HA H 1 5.643 0.03 . 1 . . . . 22 TYR HA . 6625 1 208 . 1 1 22 22 TYR HB2 H 1 2.260 0.03 . 2 . . . . 22 TYR HB1 . 6625 1 209 . 1 1 22 22 TYR HB3 H 1 3.067 0.03 . 2 . . . . 22 TYR HB2 . 6625 1 210 . 1 1 22 22 TYR HD1 H 1 6.780 0.03 . 3 . . . . 22 TYR HD1 . 6625 1 211 . 1 1 22 22 TYR HE1 H 1 7.590 0.03 . 3 . . . . 22 TYR HE1 . 6625 1 212 . 1 1 22 22 TYR C C 13 173.173 0.3 . 1 . . . . 22 TYR C . 6625 1 213 . 1 1 22 22 TYR CA C 13 54.700 0.3 . 1 . . . . 22 TYR CA . 6625 1 214 . 1 1 22 22 TYR CB C 13 44.850 0.3 . 1 . . . . 22 TYR CB . 6625 1 215 . 1 1 22 22 TYR CD1 C 13 131.740 0.3 . 3 . . . . 22 TYR CD1 . 6625 1 216 . 1 1 22 22 TYR CE1 C 13 118.340 0.3 . 3 . . . . 22 TYR CE1 . 6625 1 217 . 1 1 22 22 TYR N N 15 119.550 0.3 . 1 . . . . 22 TYR N . 6625 1 218 . 1 1 23 23 VAL H H 1 9.121 0.03 . 1 . . . . 23 VAL HN . 6625 1 219 . 1 1 23 23 VAL HA H 1 4.574 0.03 . 1 . . . . 23 VAL HA . 6625 1 220 . 1 1 23 23 VAL HB H 1 2.020 0.03 . 1 . . . . 23 VAL HB . 6625 1 221 . 1 1 23 23 VAL HG11 H 1 0.905 0.03 . 2 . . . . 23 VAL HG11 . 6625 1 222 . 1 1 23 23 VAL HG12 H 1 0.905 0.03 . 2 . . . . 23 VAL HG11 . 6625 1 223 . 1 1 23 23 VAL HG13 H 1 0.905 0.03 . 2 . . . . 23 VAL HG11 . 6625 1 224 . 1 1 23 23 VAL HG21 H 1 0.928 0.03 . 2 . . . . 23 VAL HG21 . 6625 1 225 . 1 1 23 23 VAL HG22 H 1 0.928 0.03 . 2 . . . . 23 VAL HG21 . 6625 1 226 . 1 1 23 23 VAL HG23 H 1 0.928 0.03 . 2 . . . . 23 VAL HG21 . 6625 1 227 . 1 1 23 23 VAL C C 13 172.229 0.3 . 1 . . . . 23 VAL C . 6625 1 228 . 1 1 23 23 VAL CA C 13 59.190 0.3 . 1 . . . . 23 VAL CA . 6625 1 229 . 1 1 23 23 VAL CB C 13 35.350 0.3 . 1 . . . . 23 VAL CB . 6625 1 230 . 1 1 23 23 VAL CG1 C 13 20.510 0.3 . 1 . . . . 23 VAL CG1 . 6625 1 231 . 1 1 23 23 VAL CG2 C 13 24.010 0.3 . 1 . . . . 23 VAL CG2 . 6625 1 232 . 1 1 23 23 VAL N N 15 114.460 0.3 . 1 . . . . 23 VAL N . 6625 1 233 . 1 1 24 24 LEU H H 1 7.876 0.03 . 1 . . . . 24 LEU HN . 6625 1 234 . 1 1 24 24 LEU HA H 1 5.230 0.03 . 1 . . . . 24 LEU HA . 6625 1 235 . 1 1 24 24 LEU HB2 H 1 1.037 0.03 . 2 . . . . 24 LEU HB1 . 6625 1 236 . 1 1 24 24 LEU HB3 H 1 1.590 0.03 . 2 . . . . 24 LEU HB2 . 6625 1 237 . 1 1 24 24 LEU HG H 1 1.316 0.03 . 1 . . . . 24 LEU HG . 6625 1 238 . 1 1 24 24 LEU HD11 H 1 0.800 0.03 . 2 . . . . 24 LEU HD11 . 6625 1 239 . 1 1 24 24 LEU HD12 H 1 0.800 0.03 . 2 . . . . 24 LEU HD11 . 6625 1 240 . 1 1 24 24 LEU HD13 H 1 0.800 0.03 . 2 . . . . 24 LEU HD11 . 6625 1 241 . 1 1 24 24 LEU HD21 H 1 0.866 0.03 . 2 . . . . 24 LEU HD21 . 6625 1 242 . 1 1 24 24 LEU HD22 H 1 0.866 0.03 . 2 . . . . 24 LEU HD21 . 6625 1 243 . 1 1 24 24 LEU HD23 H 1 0.866 0.03 . 2 . . . . 24 LEU HD21 . 6625 1 244 . 1 1 24 24 LEU C C 13 174.686 0.3 . 1 . . . . 24 LEU C . 6625 1 245 . 1 1 24 24 LEU CA C 13 53.060 0.3 . 1 . . . . 24 LEU CA . 6625 1 246 . 1 1 24 24 LEU CB C 13 45.070 0.3 . 1 . . . . 24 LEU CB . 6625 1 247 . 1 1 24 24 LEU CG C 13 27.770 0.3 . 1 . . . . 24 LEU CG . 6625 1 248 . 1 1 24 24 LEU CD1 C 13 26.040 0.3 . 1 . . . . 24 LEU CD1 . 6625 1 249 . 1 1 24 24 LEU CD2 C 13 22.750 0.3 . 1 . . . . 24 LEU CD2 . 6625 1 250 . 1 1 24 24 LEU N N 15 126.150 0.3 . 1 . . . . 24 LEU N . 6625 1 251 . 1 1 25 25 ILE H H 1 9.171 0.03 . 1 . . . . 25 ILE HN . 6625 1 252 . 1 1 25 25 ILE HA H 1 4.788 0.03 . 1 . . . . 25 ILE HA . 6625 1 253 . 1 1 25 25 ILE HB H 1 1.634 0.03 . 1 . . . . 25 ILE HB . 6625 1 254 . 1 1 25 25 ILE HG12 H 1 1.643 0.03 . 2 . . . . 25 ILE HG11 . 6625 1 255 . 1 1 25 25 ILE HG13 H 1 0.984 0.03 . 2 . . . . 25 ILE HG12 . 6625 1 256 . 1 1 25 25 ILE HG21 H 1 0.858 0.03 . 1 . . . . 25 ILE HG21 . 6625 1 257 . 1 1 25 25 ILE HG22 H 1 0.858 0.03 . 1 . . . . 25 ILE HG21 . 6625 1 258 . 1 1 25 25 ILE HG23 H 1 0.858 0.03 . 1 . . . . 25 ILE HG21 . 6625 1 259 . 1 1 25 25 ILE HD11 H 1 0.931 0.03 . 1 . . . . 25 ILE HD11 . 6625 1 260 . 1 1 25 25 ILE HD12 H 1 0.931 0.03 . 1 . . . . 25 ILE HD11 . 6625 1 261 . 1 1 25 25 ILE HD13 H 1 0.931 0.03 . 1 . . . . 25 ILE HD11 . 6625 1 262 . 1 1 25 25 ILE C C 13 174.456 0.3 . 1 . . . . 25 ILE C . 6625 1 263 . 1 1 25 25 ILE CA C 13 59.590 0.3 . 1 . . . . 25 ILE CA . 6625 1 264 . 1 1 25 25 ILE CB C 13 43.160 0.3 . 1 . . . . 25 ILE CB . 6625 1 265 . 1 1 25 25 ILE CG1 C 13 28.250 0.3 . 1 . . . . 25 ILE CG1 . 6625 1 266 . 1 1 25 25 ILE CG2 C 13 15.510 0.3 . 1 . . . . 25 ILE CG2 . 6625 1 267 . 1 1 25 25 ILE CD1 C 13 17.520 0.3 . 1 . . . . 25 ILE CD1 . 6625 1 268 . 1 1 25 25 ILE N N 15 127.610 0.3 . 1 . . . . 25 ILE N . 6625 1 269 . 1 1 26 26 ARG H H 1 9.260 0.03 . 1 . . . . 26 ARG HN . 6625 1 270 . 1 1 26 26 ARG HA H 1 5.076 0.03 . 1 . . . . 26 ARG HA . 6625 1 271 . 1 1 26 26 ARG HB2 H 1 1.712 0.03 . 2 . . . . 26 ARG HB1 . 6625 1 272 . 1 1 26 26 ARG HB3 H 1 1.880 0.03 . 2 . . . . 26 ARG HB2 . 6625 1 273 . 1 1 26 26 ARG HG2 H 1 0.900 0.03 . 2 . . . . 26 ARG HG1 . 6625 1 274 . 1 1 26 26 ARG HG3 H 1 1.286 0.03 . 2 . . . . 26 ARG HG2 . 6625 1 275 . 1 1 26 26 ARG HD2 H 1 3.178 0.03 . 2 . . . . 26 ARG HD2 . 6625 1 276 . 1 1 26 26 ARG HE H 1 7.596 0.03 . 1 . . . . 26 ARG HE . 6625 1 277 . 1 1 26 26 ARG C C 13 174.259 0.3 . 1 . . . . 26 ARG C . 6625 1 278 . 1 1 26 26 ARG CA C 13 55.380 0.3 . 1 . . . . 26 ARG CA . 6625 1 279 . 1 1 26 26 ARG CB C 13 32.070 0.3 . 1 . . . . 26 ARG CB . 6625 1 280 . 1 1 26 26 ARG CG C 13 27.790 0.3 . 1 . . . . 26 ARG CG . 6625 1 281 . 1 1 26 26 ARG CD C 13 43.510 0.3 . 1 . . . . 26 ARG CD . 6625 1 282 . 1 1 26 26 ARG N N 15 128.280 0.3 . 1 . . . . 26 ARG N . 6625 1 283 . 1 1 26 26 ARG NE N 15 129.956 0.3 . 1 . . . . 26 ARG NE . 6625 1 284 . 1 1 27 27 VAL H H 1 9.230 0.03 . 1 . . . . 27 VAL HN . 6625 1 285 . 1 1 27 27 VAL HA H 1 4.870 0.03 . 1 . . . . 27 VAL HA . 6625 1 286 . 1 1 27 27 VAL HB H 1 1.819 0.03 . 1 . . . . 27 VAL HB . 6625 1 287 . 1 1 27 27 VAL HG21 H 1 0.916 0.03 . 2 . . . . 27 VAL HG21 . 6625 1 288 . 1 1 27 27 VAL HG22 H 1 0.916 0.03 . 2 . . . . 27 VAL HG21 . 6625 1 289 . 1 1 27 27 VAL HG23 H 1 0.916 0.03 . 2 . . . . 27 VAL HG21 . 6625 1 290 . 1 1 27 27 VAL C C 13 173.645 0.3 . 1 . . . . 27 VAL C . 6625 1 291 . 1 1 27 27 VAL CA C 13 60.010 0.3 . 1 . . . . 27 VAL CA . 6625 1 292 . 1 1 27 27 VAL CB C 13 34.210 0.3 . 1 . . . . 27 VAL CB . 6625 1 293 . 1 1 27 27 VAL CG2 C 13 22.010 0.3 . 1 . . . . 27 VAL CG2 . 6625 1 294 . 1 1 27 27 VAL N N 15 127.650 0.3 . 1 . . . . 27 VAL N . 6625 1 295 . 1 1 28 28 HIS H H 1 8.852 0.03 . 1 . . . . 28 HIS HN . 6625 1 296 . 1 1 28 28 HIS HA H 1 5.095 0.03 . 1 . . . . 28 HIS HA . 6625 1 297 . 1 1 28 28 HIS HB2 H 1 3.041 0.03 . 2 . . . . 28 HIS HB1 . 6625 1 298 . 1 1 28 28 HIS HB3 H 1 3.170 0.03 . 2 . . . . 28 HIS HB2 . 6625 1 299 . 1 1 28 28 HIS HD2 H 1 6.740 0.03 . 1 . . . . 28 HIS HD2 . 6625 1 300 . 1 1 28 28 HIS C C 13 175.560 0.3 . 1 . . . . 28 HIS C . 6625 1 301 . 1 1 28 28 HIS CA C 13 54.740 0.3 . 1 . . . . 28 HIS CA . 6625 1 302 . 1 1 28 28 HIS CB C 13 33.120 0.3 . 1 . . . . 28 HIS CB . 6625 1 303 . 1 1 28 28 HIS CD2 C 13 119.650 0.3 . 1 . . . . 28 HIS CD2 . 6625 1 304 . 1 1 28 28 HIS N N 15 123.760 0.3 . 1 . . . . 28 HIS N . 6625 1 305 . 1 1 29 29 SER H H 1 8.682 0.03 . 1 . . . . 29 SER HN . 6625 1 306 . 1 1 29 29 SER HA H 1 4.550 0.03 . 1 . . . . 29 SER HA . 6625 1 307 . 1 1 29 29 SER HB2 H 1 3.820 0.03 . 2 . . . . 29 SER HB1 . 6625 1 308 . 1 1 29 29 SER HB3 H 1 4.090 0.03 . 2 . . . . 29 SER HB2 . 6625 1 309 . 1 1 29 29 SER C C 13 173.375 0.3 . 1 . . . . 29 SER C . 6625 1 310 . 1 1 29 29 SER CA C 13 58.400 0.3 . 1 . . . . 29 SER CA . 6625 1 311 . 1 1 29 29 SER CB C 13 64.200 0.3 . 1 . . . . 29 SER CB . 6625 1 312 . 1 1 29 29 SER N N 15 116.650 0.3 . 1 . . . . 29 SER N . 6625 1 313 . 1 1 30 30 ALA H H 1 8.340 0.03 . 1 . . . . 30 ALA HN . 6625 1 314 . 1 1 30 30 ALA HA H 1 4.766 0.03 . 1 . . . . 30 ALA HA . 6625 1 315 . 1 1 30 30 ALA HB1 H 1 1.410 0.03 . 1 . . . . 30 ALA HB1 . 6625 1 316 . 1 1 30 30 ALA HB2 H 1 1.410 0.03 . 1 . . . . 30 ALA HB1 . 6625 1 317 . 1 1 30 30 ALA HB3 H 1 1.410 0.03 . 1 . . . . 30 ALA HB1 . 6625 1 318 . 1 1 30 30 ALA C C 13 175.665 0.3 . 1 . . . . 30 ALA C . 6625 1 319 . 1 1 30 30 ALA CA C 13 50.740 0.3 . 1 . . . . 30 ALA CA . 6625 1 320 . 1 1 30 30 ALA CB C 13 18.680 0.3 . 1 . . . . 30 ALA CB . 6625 1 321 . 1 1 30 30 ALA N N 15 126.960 0.3 . 1 . . . . 30 ALA N . 6625 1 322 . 1 1 31 31 PRO HA H 1 4.430 0.03 . 1 . . . . 31 PRO HA . 6625 1 323 . 1 1 31 31 PRO HB2 H 1 1.937 0.03 . 2 . . . . 31 PRO HB1 . 6625 1 324 . 1 1 31 31 PRO HB3 H 1 2.279 0.03 . 2 . . . . 31 PRO HB2 . 6625 1 325 . 1 1 31 31 PRO HG2 H 1 2.020 0.03 . 2 . . . . 31 PRO HG1 . 6625 1 326 . 1 1 31 31 PRO HG3 H 1 2.080 0.03 . 2 . . . . 31 PRO HG2 . 6625 1 327 . 1 1 31 31 PRO HD2 H 1 3.725 0.03 . 2 . . . . 31 PRO HD1 . 6625 1 328 . 1 1 31 31 PRO HD3 H 1 3.906 0.03 . 2 . . . . 31 PRO HD2 . 6625 1 329 . 1 1 31 31 PRO C C 13 176.592 0.3 . 1 . . . . 31 PRO C . 6625 1 330 . 1 1 31 31 PRO CA C 13 63.370 0.3 . 1 . . . . 31 PRO CA . 6625 1 331 . 1 1 31 31 PRO CB C 13 32.200 0.3 . 1 . . . . 31 PRO CB . 6625 1 332 . 1 1 31 31 PRO CG C 13 27.640 0.3 . 1 . . . . 31 PRO CG . 6625 1 333 . 1 1 31 31 PRO CD C 13 50.770 0.3 . 1 . . . . 31 PRO CD . 6625 1 334 . 1 1 32 32 ARG H H 1 8.300 0.03 . 1 . . . . 32 ARG HN . 6625 1 335 . 1 1 32 32 ARG HA H 1 4.554 0.03 . 1 . . . . 32 ARG HA . 6625 1 336 . 1 1 32 32 ARG HB2 H 1 1.760 0.03 . 2 . . . . 32 ARG HB1 . 6625 1 337 . 1 1 32 32 ARG HB3 H 1 1.925 0.03 . 2 . . . . 32 ARG HB2 . 6625 1 338 . 1 1 32 32 ARG HG2 H 1 1.655 0.03 . 2 . . . . 32 ARG HG2 . 6625 1 339 . 1 1 32 32 ARG HD2 H 1 3.210 0.03 . 2 . . . . 32 ARG HD2 . 6625 1 340 . 1 1 32 32 ARG C C 13 176.452 0.3 . 1 . . . . 32 ARG C . 6625 1 341 . 1 1 32 32 ARG CA C 13 55.120 0.3 . 1 . . . . 32 ARG CA . 6625 1 342 . 1 1 32 32 ARG CB C 13 32.180 0.3 . 1 . . . . 32 ARG CB . 6625 1 343 . 1 1 32 32 ARG CG C 13 26.990 0.3 . 1 . . . . 32 ARG CG . 6625 1 344 . 1 1 32 32 ARG CD C 13 43.500 0.3 . 1 . . . . 32 ARG CD . 6625 1 345 . 1 1 32 32 ARG N N 15 122.010 0.3 . 1 . . . . 32 ARG N . 6625 1 346 . 1 1 33 33 SER H H 1 9.178 0.03 . 1 . . . . 33 SER HN . 6625 1 347 . 1 1 33 33 SER HA H 1 4.331 0.03 . 1 . . . . 33 SER HA . 6625 1 348 . 1 1 33 33 SER HB2 H 1 4.003 0.03 . 2 . . . . 33 SER HB1 . 6625 1 349 . 1 1 33 33 SER HB3 H 1 4.071 0.03 . 2 . . . . 33 SER HB2 . 6625 1 350 . 1 1 33 33 SER C C 13 175.665 0.3 . 1 . . . . 33 SER C . 6625 1 351 . 1 1 33 33 SER CA C 13 59.020 0.3 . 1 . . . . 33 SER CA . 6625 1 352 . 1 1 33 33 SER CB C 13 64.980 0.3 . 1 . . . . 33 SER CB . 6625 1 353 . 1 1 33 33 SER N N 15 119.570 0.3 . 1 . . . . 33 SER N . 6625 1 354 . 1 1 34 34 GLY H H 1 8.699 0.03 . 1 . . . . 34 GLY HN . 6625 1 355 . 1 1 34 34 GLY HA2 H 1 3.838 0.03 . 2 . . . . 34 GLY HA1 . 6625 1 356 . 1 1 34 34 GLY HA3 H 1 4.067 0.03 . 2 . . . . 34 GLY HA2 . 6625 1 357 . 1 1 34 34 GLY C C 13 173.506 0.3 . 1 . . . . 34 GLY C . 6625 1 358 . 1 1 34 34 GLY CA C 13 45.470 0.3 . 1 . . . . 34 GLY CA . 6625 1 359 . 1 1 34 34 GLY N N 15 112.170 0.3 . 1 . . . . 34 GLY N . 6625 1 360 . 1 1 35 35 ALA H H 1 7.844 0.03 . 1 . . . . 35 ALA HN . 6625 1 361 . 1 1 35 35 ALA HA H 1 4.711 0.03 . 1 . . . . 35 ALA HA . 6625 1 362 . 1 1 35 35 ALA HB1 H 1 1.385 0.03 . 1 . . . . 35 ALA HB1 . 6625 1 363 . 1 1 35 35 ALA HB2 H 1 1.385 0.03 . 1 . . . . 35 ALA HB1 . 6625 1 364 . 1 1 35 35 ALA HB3 H 1 1.385 0.03 . 1 . . . . 35 ALA HB1 . 6625 1 365 . 1 1 35 35 ALA C C 13 175.403 0.3 . 1 . . . . 35 ALA C . 6625 1 366 . 1 1 35 35 ALA CA C 13 50.400 0.3 . 1 . . . . 35 ALA CA . 6625 1 367 . 1 1 35 35 ALA CB C 13 18.840 0.3 . 1 . . . . 35 ALA CB . 6625 1 368 . 1 1 35 35 ALA N N 15 124.780 0.3 . 1 . . . . 35 ALA N . 6625 1 369 . 1 1 36 36 PRO HA H 1 4.420 0.03 . 1 . . . . 36 PRO HA . 6625 1 370 . 1 1 36 36 PRO HB2 H 1 1.940 0.03 . 2 . . . . 36 PRO HB1 . 6625 1 371 . 1 1 36 36 PRO HB3 H 1 2.290 0.03 . 2 . . . . 36 PRO HB2 . 6625 1 372 . 1 1 36 36 PRO HG2 H 1 2.085 0.03 . 2 . . . . 36 PRO HG1 . 6625 1 373 . 1 1 36 36 PRO HG3 H 1 2.021 0.03 . 2 . . . . 36 PRO HG2 . 6625 1 374 . 1 1 36 36 PRO HD2 H 1 3.906 0.03 . 2 . . . . 36 PRO HD1 . 6625 1 375 . 1 1 36 36 PRO HD3 H 1 3.725 0.03 . 2 . . . . 36 PRO HD2 . 6625 1 376 . 1 1 36 36 PRO C C 13 176.598 0.3 . 1 . . . . 36 PRO C . 6625 1 377 . 1 1 36 36 PRO CA C 13 63.570 0.3 . 1 . . . . 36 PRO CA . 6625 1 378 . 1 1 36 36 PRO CB C 13 32.030 0.3 . 1 . . . . 36 PRO CB . 6625 1 379 . 1 1 36 36 PRO CG C 13 27.500 0.3 . 1 . . . . 36 PRO CG . 6625 1 380 . 1 1 36 36 PRO CD C 13 50.520 0.3 . 1 . . . . 36 PRO CD . 6625 1 381 . 1 1 37 37 ALA H H 1 8.090 0.03 . 1 . . . . 37 ALA HN . 6625 1 382 . 1 1 37 37 ALA HA H 1 4.360 0.03 . 1 . . . . 37 ALA HA . 6625 1 383 . 1 1 37 37 ALA HB1 H 1 1.400 0.03 . 1 . . . . 37 ALA HB1 . 6625 1 384 . 1 1 37 37 ALA HB2 H 1 1.400 0.03 . 1 . . . . 37 ALA HB1 . 6625 1 385 . 1 1 37 37 ALA HB3 H 1 1.400 0.03 . 1 . . . . 37 ALA HB1 . 6625 1 386 . 1 1 37 37 ALA C C 13 176.959 0.3 . 1 . . . . 37 ALA C . 6625 1 387 . 1 1 37 37 ALA CA C 13 52.050 0.3 . 1 . . . . 37 ALA CA . 6625 1 388 . 1 1 37 37 ALA CB C 13 19.790 0.3 . 1 . . . . 37 ALA CB . 6625 1 389 . 1 1 37 37 ALA N N 15 123.040 0.3 . 1 . . . . 37 ALA N . 6625 1 390 . 1 1 38 38 ALA H H 1 8.282 0.03 . 1 . . . . 38 ALA HN . 6625 1 391 . 1 1 38 38 ALA HA H 1 4.345 0.03 . 1 . . . . 38 ALA HA . 6625 1 392 . 1 1 38 38 ALA HB1 H 1 1.446 0.03 . 1 . . . . 38 ALA HB1 . 6625 1 393 . 1 1 38 38 ALA HB2 H 1 1.446 0.03 . 1 . . . . 38 ALA HB1 . 6625 1 394 . 1 1 38 38 ALA HB3 H 1 1.446 0.03 . 1 . . . . 38 ALA HB1 . 6625 1 395 . 1 1 38 38 ALA C C 13 177.379 0.3 . 1 . . . . 38 ALA C . 6625 1 396 . 1 1 38 38 ALA CA C 13 52.420 0.3 . 1 . . . . 38 ALA CA . 6625 1 397 . 1 1 38 38 ALA CB C 13 19.780 0.3 . 1 . . . . 38 ALA CB . 6625 1 398 . 1 1 38 38 ALA N N 15 124.340 0.3 . 1 . . . . 38 ALA N . 6625 1 399 . 1 1 39 39 GLU H H 1 8.238 0.03 . 1 . . . . 39 GLU HN . 6625 1 400 . 1 1 39 39 GLU HA H 1 4.544 0.03 . 1 . . . . 39 GLU HA . 6625 1 401 . 1 1 39 39 GLU HB2 H 1 1.946 0.03 . 2 . . . . 39 GLU HB1 . 6625 1 402 . 1 1 39 39 GLU HB3 H 1 2.072 0.03 . 2 . . . . 39 GLU HB2 . 6625 1 403 . 1 1 39 39 GLU HG2 H 1 2.270 0.03 . 2 . . . . 39 GLU HG1 . 6625 1 404 . 1 1 39 39 GLU HG3 H 1 2.300 0.03 . 2 . . . . 39 GLU HG2 . 6625 1 405 . 1 1 39 39 GLU C C 13 175.105 0.3 . 1 . . . . 39 GLU C . 6625 1 406 . 1 1 39 39 GLU CA C 13 56.170 0.3 . 1 . . . . 39 GLU CA . 6625 1 407 . 1 1 39 39 GLU CB C 13 32.000 0.3 . 1 . . . . 39 GLU CB . 6625 1 408 . 1 1 39 39 GLU CG C 13 36.540 0.3 . 1 . . . . 39 GLU CG . 6625 1 409 . 1 1 39 39 GLU N N 15 121.170 0.3 . 1 . . . . 39 GLU N . 6625 1 410 . 1 1 40 40 SER H H 1 8.282 0.03 . 1 . . . . 40 SER HN . 6625 1 411 . 1 1 40 40 SER HA H 1 5.397 0.03 . 1 . . . . 40 SER HA . 6625 1 412 . 1 1 40 40 SER HB2 H 1 3.300 0.03 . 2 . . . . 40 SER HB1 . 6625 1 413 . 1 1 40 40 SER HB3 H 1 3.620 0.03 . 2 . . . . 40 SER HB2 . 6625 1 414 . 1 1 40 40 SER C C 13 173.313 0.3 . 1 . . . . 40 SER C . 6625 1 415 . 1 1 40 40 SER CA C 13 57.170 0.3 . 1 . . . . 40 SER CA . 6625 1 416 . 1 1 40 40 SER CB C 13 66.690 0.3 . 1 . . . . 40 SER CB . 6625 1 417 . 1 1 40 40 SER N N 15 115.940 0.3 . 1 . . . . 40 SER N . 6625 1 418 . 1 1 41 41 LYS H H 1 8.583 0.03 . 1 . . . . 41 LYS HN . 6625 1 419 . 1 1 41 41 LYS HA H 1 4.659 0.03 . 1 . . . . 41 LYS HA . 6625 1 420 . 1 1 41 41 LYS HB2 H 1 1.858 0.03 . 2 . . . . 41 LYS HB1 . 6625 1 421 . 1 1 41 41 LYS HB3 H 1 1.914 0.03 . 2 . . . . 41 LYS HB2 . 6625 1 422 . 1 1 41 41 LYS HG2 H 1 0.930 0.03 . 2 . . . . 41 LYS HG1 . 6625 1 423 . 1 1 41 41 LYS HG3 H 1 1.170 0.03 . 2 . . . . 41 LYS HG2 . 6625 1 424 . 1 1 41 41 LYS HD2 H 1 1.540 0.03 . 2 . . . . 41 LYS HD1 . 6625 1 425 . 1 1 41 41 LYS HD3 H 1 1.630 0.03 . 2 . . . . 41 LYS HD2 . 6625 1 426 . 1 1 41 41 LYS HE2 H 1 2.792 0.03 . 2 . . . . 41 LYS HE1 . 6625 1 427 . 1 1 41 41 LYS HE3 H 1 2.614 0.03 . 2 . . . . 41 LYS HE2 . 6625 1 428 . 1 1 41 41 LYS C C 13 173.344 0.3 . 1 . . . . 41 LYS C . 6625 1 429 . 1 1 41 41 LYS CA C 13 55.630 0.3 . 1 . . . . 41 LYS CA . 6625 1 430 . 1 1 41 41 LYS CB C 13 35.540 0.3 . 1 . . . . 41 LYS CB . 6625 1 431 . 1 1 41 41 LYS CG C 13 23.520 0.3 . 1 . . . . 41 LYS CG . 6625 1 432 . 1 1 41 41 LYS CD C 13 30.510 0.3 . 1 . . . . 41 LYS CD . 6625 1 433 . 1 1 41 41 LYS CE C 13 42.260 0.3 . 1 . . . . 41 LYS CE . 6625 1 434 . 1 1 41 41 LYS N N 15 117.340 0.3 . 1 . . . . 41 LYS N . 6625 1 435 . 1 1 42 42 GLU H H 1 8.163 0.03 . 1 . . . . 42 GLU HN . 6625 1 436 . 1 1 42 42 GLU HA H 1 5.440 0.03 . 1 . . . . 42 GLU HA . 6625 1 437 . 1 1 42 42 GLU HB2 H 1 1.588 0.03 . 2 . . . . 42 GLU HB1 . 6625 1 438 . 1 1 42 42 GLU HB3 H 1 1.942 0.03 . 2 . . . . 42 GLU HB2 . 6625 1 439 . 1 1 42 42 GLU HG2 H 1 1.917 0.03 . 2 . . . . 42 GLU HG1 . 6625 1 440 . 1 1 42 42 GLU HG3 H 1 2.130 0.03 . 2 . . . . 42 GLU HG2 . 6625 1 441 . 1 1 42 42 GLU C C 13 175.951 0.3 . 1 . . . . 42 GLU C . 6625 1 442 . 1 1 42 42 GLU CA C 13 55.800 0.3 . 1 . . . . 42 GLU CA . 6625 1 443 . 1 1 42 42 GLU CB C 13 30.180 0.3 . 1 . . . . 42 GLU CB . 6625 1 444 . 1 1 42 42 GLU CG C 13 37.760 0.3 . 1 . . . . 42 GLU CG . 6625 1 445 . 1 1 42 42 GLU N N 15 120.480 0.3 . 1 . . . . 42 GLU N . 6625 1 446 . 1 1 43 43 ILE H H 1 9.504 0.03 . 1 . . . . 43 ILE HN . 6625 1 447 . 1 1 43 43 ILE HA H 1 5.340 0.03 . 1 . . . . 43 ILE HA . 6625 1 448 . 1 1 43 43 ILE HB H 1 1.978 0.03 . 1 . . . . 43 ILE HB . 6625 1 449 . 1 1 43 43 ILE HG12 H 1 1.182 0.03 . 2 . . . . 43 ILE HG11 . 6625 1 450 . 1 1 43 43 ILE HG13 H 1 1.293 0.03 . 2 . . . . 43 ILE HG12 . 6625 1 451 . 1 1 43 43 ILE HG21 H 1 0.820 0.03 . 1 . . . . 43 ILE HG21 . 6625 1 452 . 1 1 43 43 ILE HG22 H 1 0.820 0.03 . 1 . . . . 43 ILE HG21 . 6625 1 453 . 1 1 43 43 ILE HG23 H 1 0.820 0.03 . 1 . . . . 43 ILE HG21 . 6625 1 454 . 1 1 43 43 ILE HD11 H 1 0.580 0.03 . 1 . . . . 43 ILE HD11 . 6625 1 455 . 1 1 43 43 ILE HD12 H 1 0.580 0.03 . 1 . . . . 43 ILE HD11 . 6625 1 456 . 1 1 43 43 ILE HD13 H 1 0.580 0.03 . 1 . . . . 43 ILE HD11 . 6625 1 457 . 1 1 43 43 ILE C C 13 174.076 0.3 . 1 . . . . 43 ILE C . 6625 1 458 . 1 1 43 43 ILE CA C 13 58.910 0.3 . 1 . . . . 43 ILE CA . 6625 1 459 . 1 1 43 43 ILE CB C 13 41.070 0.3 . 1 . . . . 43 ILE CB . 6625 1 460 . 1 1 43 43 ILE CG1 C 13 26.260 0.3 . 1 . . . . 43 ILE CG1 . 6625 1 461 . 1 1 43 43 ILE CG2 C 13 18.770 0.3 . 1 . . . . 43 ILE CG2 . 6625 1 462 . 1 1 43 43 ILE CD1 C 13 13.020 0.3 . 1 . . . . 43 ILE CD1 . 6625 1 463 . 1 1 43 43 ILE N N 15 114.140 0.3 . 1 . . . . 43 ILE N . 6625 1 464 . 1 1 44 44 VAL H H 1 8.944 0.03 . 1 . . . . 44 VAL HN . 6625 1 465 . 1 1 44 44 VAL HA H 1 4.764 0.03 . 1 . . . . 44 VAL HA . 6625 1 466 . 1 1 44 44 VAL HB H 1 1.948 0.03 . 1 . . . . 44 VAL HB . 6625 1 467 . 1 1 44 44 VAL HG11 H 1 0.700 0.03 . 2 . . . . 44 VAL HG11 . 6625 1 468 . 1 1 44 44 VAL HG12 H 1 0.700 0.03 . 2 . . . . 44 VAL HG11 . 6625 1 469 . 1 1 44 44 VAL HG13 H 1 0.700 0.03 . 2 . . . . 44 VAL HG11 . 6625 1 470 . 1 1 44 44 VAL HG21 H 1 0.980 0.03 . 2 . . . . 44 VAL HG21 . 6625 1 471 . 1 1 44 44 VAL HG22 H 1 0.980 0.03 . 2 . . . . 44 VAL HG21 . 6625 1 472 . 1 1 44 44 VAL HG23 H 1 0.980 0.03 . 2 . . . . 44 VAL HG21 . 6625 1 473 . 1 1 44 44 VAL C C 13 178.166 0.3 . 1 . . . . 44 VAL C . 6625 1 474 . 1 1 44 44 VAL CA C 13 61.540 0.3 . 1 . . . . 44 VAL CA . 6625 1 475 . 1 1 44 44 VAL CB C 13 34.950 0.3 . 1 . . . . 44 VAL CB . 6625 1 476 . 1 1 44 44 VAL CG1 C 13 21.200 0.3 . 1 . . . . 44 VAL CG1 . 6625 1 477 . 1 1 44 44 VAL CG2 C 13 21.600 0.3 . 1 . . . . 44 VAL CG2 . 6625 1 478 . 1 1 44 44 VAL N N 15 121.250 0.3 . 1 . . . . 44 VAL N . 6625 1 479 . 1 1 45 45 ARG H H 1 8.649 0.03 . 1 . . . . 45 ARG HN . 6625 1 480 . 1 1 45 45 ARG HA H 1 5.386 0.03 . 1 . . . . 45 ARG HA . 6625 1 481 . 1 1 45 45 ARG HB2 H 1 1.745 0.03 . 2 . . . . 45 ARG HB1 . 6625 1 482 . 1 1 45 45 ARG HB3 H 1 1.565 0.03 . 2 . . . . 45 ARG HB2 . 6625 1 483 . 1 1 45 45 ARG HG2 H 1 1.630 0.03 . 2 . . . . 45 ARG HG1 . 6625 1 484 . 1 1 45 45 ARG HG3 H 1 1.369 0.03 . 2 . . . . 45 ARG HG2 . 6625 1 485 . 1 1 45 45 ARG HD2 H 1 3.771 0.03 . 2 . . . . 45 ARG HD1 . 6625 1 486 . 1 1 45 45 ARG HD3 H 1 3.895 0.03 . 2 . . . . 45 ARG HD2 . 6625 1 487 . 1 1 45 45 ARG HE H 1 6.140 0.03 . 1 . . . . 45 ARG HE . 6625 1 488 . 1 1 45 45 ARG C C 13 174.878 0.3 . 1 . . . . 45 ARG C . 6625 1 489 . 1 1 45 45 ARG CA C 13 52.570 0.3 . 1 . . . . 45 ARG CA . 6625 1 490 . 1 1 45 45 ARG CB C 13 34.820 0.3 . 1 . . . . 45 ARG CB . 6625 1 491 . 1 1 45 45 ARG CG C 13 26.520 0.3 . 1 . . . . 45 ARG CG . 6625 1 492 . 1 1 45 45 ARG CD C 13 44.020 0.3 . 1 . . . . 45 ARG CD . 6625 1 493 . 1 1 45 45 ARG N N 15 129.840 0.3 . 1 . . . . 45 ARG N . 6625 1 494 . 1 1 45 45 ARG NE N 15 115.070 0.3 . 1 . . . . 45 ARG NE . 6625 1 495 . 1 1 46 46 GLY H H 1 7.159 0.03 . 1 . . . . 46 GLY HN . 6625 1 496 . 1 1 46 46 GLY HA2 H 1 3.730 0.03 . 2 . . . . 46 GLY HA1 . 6625 1 497 . 1 1 46 46 GLY HA3 H 1 4.547 0.03 . 2 . . . . 46 GLY HA2 . 6625 1 498 . 1 1 46 46 GLY C C 13 178.859 0.3 . 1 . . . . 46 GLY C . 6625 1 499 . 1 1 46 46 GLY CA C 13 49.180 0.3 . 1 . . . . 46 GLY CA . 6625 1 500 . 1 1 46 46 GLY N N 15 111.210 0.3 . 1 . . . . 46 GLY N . 6625 1 501 . 1 1 47 47 TYR H H 1 6.407 0.03 . 1 . . . . 47 TYR HN . 6625 1 502 . 1 1 47 47 TYR HA H 1 5.645 0.03 . 1 . . . . 47 TYR HA . 6625 1 503 . 1 1 47 47 TYR HD1 H 1 6.700 0.03 . 3 . . . . 47 TYR HD1 . 6625 1 504 . 1 1 47 47 TYR HE1 H 1 6.510 0.03 . 3 . . . . 47 TYR HE1 . 6625 1 505 . 1 1 47 47 TYR C C 13 176.592 0.3 . 1 . . . . 47 TYR C . 6625 1 506 . 1 1 47 47 TYR CA C 13 54.700 0.3 . 1 . . . . 47 TYR CA . 6625 1 507 . 1 1 47 47 TYR CB C 13 43.650 0.3 . 1 . . . . 47 TYR CB . 6625 1 508 . 1 1 47 47 TYR CD1 C 13 134.670 0.3 . 3 . . . . 47 TYR CD1 . 6625 1 509 . 1 1 47 47 TYR CE1 C 13 116.450 0.3 . 3 . . . . 47 TYR CE1 . 6625 1 510 . 1 1 47 47 TYR N N 15 117.300 0.3 . 1 . . . . 47 TYR N . 6625 1 511 . 1 1 48 48 LYS H H 1 10.173 0.03 . 1 . . . . 48 LYS HN . 6625 1 512 . 1 1 48 48 LYS HA H 1 4.505 0.03 . 1 . . . . 48 LYS HA . 6625 1 513 . 1 1 48 48 LYS CA C 13 59.280 0.3 . 1 . . . . 48 LYS CA . 6625 1 514 . 1 1 48 48 LYS CB C 13 32.950 0.3 . 1 . . . . 48 LYS CB . 6625 1 515 . 1 1 48 48 LYS N N 15 125.600 0.3 . 1 . . . . 48 LYS N . 6625 1 516 . 1 1 49 49 TRP HA H 1 4.453 0.03 . 1 . . . . 49 TRP HA . 6625 1 517 . 1 1 49 49 TRP HB2 H 1 3.229 0.03 . 2 . . . . 49 TRP HB1 . 6625 1 518 . 1 1 49 49 TRP HB3 H 1 3.605 0.03 . 2 . . . . 49 TRP HB2 . 6625 1 519 . 1 1 49 49 TRP HD1 H 1 7.510 0.03 . 1 . . . . 49 TRP HD1 . 6625 1 520 . 1 1 49 49 TRP HE1 H 1 9.544 0.03 . 1 . . . . 49 TRP HE1 . 6625 1 521 . 1 1 49 49 TRP HE3 H 1 7.388 0.03 . 1 . . . . 49 TRP HE3 . 6625 1 522 . 1 1 49 49 TRP HZ2 H 1 6.860 0.03 . 1 . . . . 49 TRP HZ2 . 6625 1 523 . 1 1 49 49 TRP HZ3 H 1 6.952 0.03 . 1 . . . . 49 TRP HZ3 . 6625 1 524 . 1 1 49 49 TRP HH2 H 1 7.040 0.03 . 1 . . . . 49 TRP HH2 . 6625 1 525 . 1 1 49 49 TRP C C 13 176.460 0.3 . 1 . . . . 49 TRP C . 6625 1 526 . 1 1 49 49 TRP CA C 13 56.440 0.3 . 1 . . . . 49 TRP CA . 6625 1 527 . 1 1 49 49 TRP CB C 13 28.740 0.3 . 1 . . . . 49 TRP CB . 6625 1 528 . 1 1 49 49 TRP CD1 C 13 130.100 0.3 . 1 . . . . 49 TRP CD1 . 6625 1 529 . 1 1 49 49 TRP CE3 C 13 121.630 0.3 . 1 . . . . 49 TRP CE3 . 6625 1 530 . 1 1 49 49 TRP CZ2 C 13 115.000 0.3 . 1 . . . . 49 TRP CZ2 . 6625 1 531 . 1 1 49 49 TRP CZ3 C 13 121.610 0.3 . 1 . . . . 49 TRP CZ3 . 6625 1 532 . 1 1 49 49 TRP CH2 C 13 123.700 0.3 . 1 . . . . 49 TRP CH2 . 6625 1 533 . 1 1 49 49 TRP NE1 N 15 109.450 0.3 . 1 . . . . 49 TRP NE1 . 6625 1 534 . 1 1 50 50 ALA H H 1 6.222 0.03 . 1 . . . . 50 ALA HN . 6625 1 535 . 1 1 50 50 ALA HA H 1 4.430 0.03 . 1 . . . . 50 ALA HA . 6625 1 536 . 1 1 50 50 ALA HB1 H 1 0.914 0.03 . 1 . . . . 50 ALA HB1 . 6625 1 537 . 1 1 50 50 ALA HB2 H 1 0.914 0.03 . 1 . . . . 50 ALA HB1 . 6625 1 538 . 1 1 50 50 ALA HB3 H 1 0.914 0.03 . 1 . . . . 50 ALA HB1 . 6625 1 539 . 1 1 50 50 ALA C C 13 176.301 0.3 . 1 . . . . 50 ALA C . 6625 1 540 . 1 1 50 50 ALA CA C 13 52.520 0.3 . 1 . . . . 50 ALA CA . 6625 1 541 . 1 1 50 50 ALA CB C 13 19.500 0.3 . 1 . . . . 50 ALA CB . 6625 1 542 . 1 1 50 50 ALA N N 15 123.230 0.3 . 1 . . . . 50 ALA N . 6625 1 543 . 1 1 51 51 GLU H H 1 9.052 0.03 . 1 . . . . 51 GLU HN . 6625 1 544 . 1 1 51 51 GLU HA H 1 4.116 0.03 . 1 . . . . 51 GLU HA . 6625 1 545 . 1 1 51 51 GLU HB2 H 1 1.915 0.03 . 2 . . . . 51 GLU HB1 . 6625 1 546 . 1 1 51 51 GLU HB3 H 1 2.112 0.03 . 2 . . . . 51 GLU HB2 . 6625 1 547 . 1 1 51 51 GLU HG2 H 1 2.115 0.03 . 2 . . . . 51 GLU HG1 . 6625 1 548 . 1 1 51 51 GLU HG3 H 1 1.916 0.03 . 2 . . . . 51 GLU HG2 . 6625 1 549 . 1 1 51 51 GLU C C 13 176.745 0.3 . 1 . . . . 51 GLU C . 6625 1 550 . 1 1 51 51 GLU CA C 13 58.180 0.3 . 1 . . . . 51 GLU CA . 6625 1 551 . 1 1 51 51 GLU CB C 13 30.620 0.3 . 1 . . . . 51 GLU CB . 6625 1 552 . 1 1 51 51 GLU CG C 13 36.270 0.3 . 1 . . . . 51 GLU CG . 6625 1 553 . 1 1 51 51 GLU N N 15 128.130 0.3 . 1 . . . . 51 GLU N . 6625 1 554 . 1 1 52 52 TYR H H 1 8.454 0.03 . 1 . . . . 52 TYR HN . 6625 1 555 . 1 1 52 52 TYR HA H 1 4.570 0.03 . 1 . . . . 52 TYR HA . 6625 1 556 . 1 1 52 52 TYR HB2 H 1 3.924 0.03 . 2 . . . . 52 TYR HB1 . 6625 1 557 . 1 1 52 52 TYR HB3 H 1 2.741 0.03 . 2 . . . . 52 TYR HB2 . 6625 1 558 . 1 1 52 52 TYR HD1 H 1 7.643 0.03 . 3 . . . . 52 TYR HD1 . 6625 1 559 . 1 1 52 52 TYR HE1 H 1 6.939 0.03 . 3 . . . . 52 TYR HE1 . 6625 1 560 . 1 1 52 52 TYR C C 13 176.924 0.3 . 1 . . . . 52 TYR C . 6625 1 561 . 1 1 52 52 TYR CA C 13 57.120 0.3 . 1 . . . . 52 TYR CA . 6625 1 562 . 1 1 52 52 TYR CB C 13 39.780 0.3 . 1 . . . . 52 TYR CB . 6625 1 563 . 1 1 52 52 TYR CD1 C 13 134.424 0.3 . 3 . . . . 52 TYR CD1 . 6625 1 564 . 1 1 52 52 TYR CE1 C 13 118.350 0.3 . 3 . . . . 52 TYR CE1 . 6625 1 565 . 1 1 52 52 TYR N N 15 117.410 0.3 . 1 . . . . 52 TYR N . 6625 1 566 . 1 1 53 53 HIS H H 1 8.912 0.03 . 1 . . . . 53 HIS HN . 6625 1 567 . 1 1 53 53 HIS HA H 1 3.856 0.03 . 1 . . . . 53 HIS HA . 6625 1 568 . 1 1 53 53 HIS HB2 H 1 3.020 0.03 . 2 . . . . 53 HIS HB1 . 6625 1 569 . 1 1 53 53 HIS HB3 H 1 3.483 0.03 . 2 . . . . 53 HIS HB2 . 6625 1 570 . 1 1 53 53 HIS C C 13 179.163 0.3 . 1 . . . . 53 HIS C . 6625 1 571 . 1 1 53 53 HIS CA C 13 64.490 0.3 . 1 . . . . 53 HIS CA . 6625 1 572 . 1 1 53 53 HIS CB C 13 29.760 0.3 . 1 . . . . 53 HIS CB . 6625 1 573 . 1 1 53 53 HIS N N 15 124.670 0.3 . 1 . . . . 53 HIS N . 6625 1 574 . 1 1 54 54 ALA H H 1 10.275 0.03 . 1 . . . . 54 ALA HN . 6625 1 575 . 1 1 54 54 ALA HA H 1 4.825 0.03 . 1 . . . . 54 ALA HA . 6625 1 576 . 1 1 54 54 ALA HB1 H 1 1.543 0.03 . 1 . . . . 54 ALA HB1 . 6625 1 577 . 1 1 54 54 ALA HB2 H 1 1.543 0.03 . 1 . . . . 54 ALA HB1 . 6625 1 578 . 1 1 54 54 ALA HB3 H 1 1.543 0.03 . 1 . . . . 54 ALA HB1 . 6625 1 579 . 1 1 54 54 ALA C C 13 178.471 0.3 . 1 . . . . 54 ALA C . 6625 1 580 . 1 1 54 54 ALA CA C 13 55.130 0.3 . 1 . . . . 54 ALA CA . 6625 1 581 . 1 1 54 54 ALA CB C 13 18.800 0.3 . 1 . . . . 54 ALA CB . 6625 1 582 . 1 1 54 54 ALA N N 15 123.740 0.3 . 1 . . . . 54 ALA N . 6625 1 583 . 1 1 55 55 ASP H H 1 7.353 0.03 . 1 . . . . 55 ASP HN . 6625 1 584 . 1 1 55 55 ASP HA H 1 4.669 0.03 . 1 . . . . 55 ASP HA . 6625 1 585 . 1 1 55 55 ASP HB2 H 1 3.167 0.03 . 2 . . . . 55 ASP HB1 . 6625 1 586 . 1 1 55 55 ASP HB3 H 1 3.293 0.03 . 2 . . . . 55 ASP HB2 . 6625 1 587 . 1 1 55 55 ASP C C 13 179.880 0.3 . 1 . . . . 55 ASP C . 6625 1 588 . 1 1 55 55 ASP CA C 13 57.750 0.3 . 1 . . . . 55 ASP CA . 6625 1 589 . 1 1 55 55 ASP CB C 13 41.440 0.3 . 1 . . . . 55 ASP CB . 6625 1 590 . 1 1 55 55 ASP N N 15 116.220 0.3 . 1 . . . . 55 ASP N . 6625 1 591 . 1 1 56 56 ILE H H 1 7.330 0.03 . 1 . . . . 56 ILE HN . 6625 1 592 . 1 1 56 56 ILE HA H 1 3.933 0.03 . 1 . . . . 56 ILE HA . 6625 1 593 . 1 1 56 56 ILE HB H 1 2.040 0.03 . 1 . . . . 56 ILE HB . 6625 1 594 . 1 1 56 56 ILE HG12 H 1 0.410 0.03 . 2 . . . . 56 ILE HG11 . 6625 1 595 . 1 1 56 56 ILE HG13 H 1 1.655 0.03 . 2 . . . . 56 ILE HG12 . 6625 1 596 . 1 1 56 56 ILE HG21 H 1 0.959 0.03 . 1 . . . . 56 ILE HG21 . 6625 1 597 . 1 1 56 56 ILE HG22 H 1 0.959 0.03 . 1 . . . . 56 ILE HG21 . 6625 1 598 . 1 1 56 56 ILE HG23 H 1 0.959 0.03 . 1 . . . . 56 ILE HG21 . 6625 1 599 . 1 1 56 56 ILE HD11 H 1 0.854 0.03 . 1 . . . . 56 ILE HD11 . 6625 1 600 . 1 1 56 56 ILE HD12 H 1 0.854 0.03 . 1 . . . . 56 ILE HD11 . 6625 1 601 . 1 1 56 56 ILE HD13 H 1 0.854 0.03 . 1 . . . . 56 ILE HD11 . 6625 1 602 . 1 1 56 56 ILE C C 13 177.449 0.3 . 1 . . . . 56 ILE C . 6625 1 603 . 1 1 56 56 ILE CA C 13 65.030 0.3 . 1 . . . . 56 ILE CA . 6625 1 604 . 1 1 56 56 ILE CB C 13 38.830 0.3 . 1 . . . . 56 ILE CB . 6625 1 605 . 1 1 56 56 ILE CG1 C 13 29.000 0.3 . 1 . . . . 56 ILE CG1 . 6625 1 606 . 1 1 56 56 ILE CG2 C 13 19.270 0.3 . 1 . . . . 56 ILE CG2 . 6625 1 607 . 1 1 56 56 ILE CD1 C 13 15.100 0.3 . 1 . . . . 56 ILE CD1 . 6625 1 608 . 1 1 56 56 ILE N N 15 116.980 0.3 . 1 . . . . 56 ILE N . 6625 1 609 . 1 1 57 57 TYR H H 1 8.035 0.03 . 1 . . . . 57 TYR HN . 6625 1 610 . 1 1 57 57 TYR HA H 1 3.872 0.03 . 1 . . . . 57 TYR HA . 6625 1 611 . 1 1 57 57 TYR HB2 H 1 2.822 0.03 . 2 . . . . 57 TYR HB1 . 6625 1 612 . 1 1 57 57 TYR HB3 H 1 3.233 0.03 . 2 . . . . 57 TYR HB2 . 6625 1 613 . 1 1 57 57 TYR HD1 H 1 6.980 0.03 . 3 . . . . 57 TYR HD1 . 6625 1 614 . 1 1 57 57 TYR HE1 H 1 6.580 0.03 . 3 . . . . 57 TYR HE1 . 6625 1 615 . 1 1 57 57 TYR C C 13 177.699 0.3 . 1 . . . . 57 TYR C . 6625 1 616 . 1 1 57 57 TYR CA C 13 63.330 0.3 . 1 . . . . 57 TYR CA . 6625 1 617 . 1 1 57 57 TYR CB C 13 38.570 0.3 . 1 . . . . 57 TYR CB . 6625 1 618 . 1 1 57 57 TYR CD1 C 13 132.460 0.3 . 3 . . . . 57 TYR CD1 . 6625 1 619 . 1 1 57 57 TYR CE1 C 13 117.856 0.3 . 3 . . . . 57 TYR CE1 . 6625 1 620 . 1 1 57 57 TYR N N 15 119.120 0.3 . 1 . . . . 57 TYR N . 6625 1 621 . 1 1 58 58 ASP H H 1 9.456 0.03 . 1 . . . . 58 ASP HN . 6625 1 622 . 1 1 58 58 ASP HA H 1 4.182 0.03 . 1 . . . . 58 ASP HA . 6625 1 623 . 1 1 58 58 ASP HB2 H 1 2.665 0.03 . 2 . . . . 58 ASP HB1 . 6625 1 624 . 1 1 58 58 ASP HB3 H 1 2.912 0.03 . 2 . . . . 58 ASP HB2 . 6625 1 625 . 1 1 58 58 ASP C C 13 178.930 0.3 . 1 . . . . 58 ASP C . 6625 1 626 . 1 1 58 58 ASP CA C 13 58.180 0.3 . 1 . . . . 58 ASP CA . 6625 1 627 . 1 1 58 58 ASP CB C 13 40.240 0.3 . 1 . . . . 58 ASP CB . 6625 1 628 . 1 1 58 58 ASP N N 15 121.120 0.3 . 1 . . . . 58 ASP N . 6625 1 629 . 1 1 59 59 LYS H H 1 6.974 0.03 . 1 . . . . 59 LYS HN . 6625 1 630 . 1 1 59 59 LYS HA H 1 4.170 0.03 . 1 . . . . 59 LYS HA . 6625 1 631 . 1 1 59 59 LYS HB2 H 1 2.259 0.03 . 2 . . . . 59 LYS HB2 . 6625 1 632 . 1 1 59 59 LYS HG2 H 1 1.533 0.03 . 2 . . . . 59 LYS HG2 . 6625 1 633 . 1 1 59 59 LYS HD2 H 1 1.650 0.03 . 2 . . . . 59 LYS HD2 . 6625 1 634 . 1 1 59 59 LYS HE2 H 1 2.842 0.03 . 2 . . . . 59 LYS HE2 . 6625 1 635 . 1 1 59 59 LYS C C 13 178.481 0.3 . 1 . . . . 59 LYS C . 6625 1 636 . 1 1 59 59 LYS CA C 13 59.290 0.3 . 1 . . . . 59 LYS CA . 6625 1 637 . 1 1 59 59 LYS CB C 13 33.050 0.3 . 1 . . . . 59 LYS CB . 6625 1 638 . 1 1 59 59 LYS CG C 13 25.030 0.3 . 1 . . . . 59 LYS CG . 6625 1 639 . 1 1 59 59 LYS CD C 13 29.240 0.3 . 1 . . . . 59 LYS CD . 6625 1 640 . 1 1 59 59 LYS CE C 13 42.260 0.3 . 1 . . . . 59 LYS CE . 6625 1 641 . 1 1 59 59 LYS N N 15 120.750 0.3 . 1 . . . . 59 LYS N . 6625 1 642 . 1 1 60 60 VAL H H 1 8.505 0.03 . 1 . . . . 60 VAL HN . 6625 1 643 . 1 1 60 60 VAL HA H 1 3.872 0.03 . 1 . . . . 60 VAL HA . 6625 1 644 . 1 1 60 60 VAL HB H 1 1.884 0.03 . 1 . . . . 60 VAL HB . 6625 1 645 . 1 1 60 60 VAL HG11 H 1 0.966 0.03 . 2 . . . . 60 VAL HG11 . 6625 1 646 . 1 1 60 60 VAL HG12 H 1 0.966 0.03 . 2 . . . . 60 VAL HG11 . 6625 1 647 . 1 1 60 60 VAL HG13 H 1 0.966 0.03 . 2 . . . . 60 VAL HG11 . 6625 1 648 . 1 1 60 60 VAL HG21 H 1 1.216 0.03 . 2 . . . . 60 VAL HG21 . 6625 1 649 . 1 1 60 60 VAL HG22 H 1 1.216 0.03 . 2 . . . . 60 VAL HG21 . 6625 1 650 . 1 1 60 60 VAL HG23 H 1 1.216 0.03 . 2 . . . . 60 VAL HG21 . 6625 1 651 . 1 1 60 60 VAL C C 13 178.334 0.3 . 1 . . . . 60 VAL C . 6625 1 652 . 1 1 60 60 VAL CA C 13 65.960 0.3 . 1 . . . . 60 VAL CA . 6625 1 653 . 1 1 60 60 VAL CB C 13 32.130 0.3 . 1 . . . . 60 VAL CB . 6625 1 654 . 1 1 60 60 VAL CG1 C 13 21.800 0.3 . 1 . . . . 60 VAL CG1 . 6625 1 655 . 1 1 60 60 VAL CG2 C 13 22.250 0.3 . 1 . . . . 60 VAL CG2 . 6625 1 656 . 1 1 60 60 VAL N N 15 119.110 0.3 . 1 . . . . 60 VAL N . 6625 1 657 . 1 1 61 61 SER H H 1 8.827 0.03 . 1 . . . . 61 SER HN . 6625 1 658 . 1 1 61 61 SER HA H 1 4.191 0.03 . 1 . . . . 61 SER HA . 6625 1 659 . 1 1 61 61 SER HB2 H 1 3.252 0.03 . 2 . . . . 61 SER HB1 . 6625 1 660 . 1 1 61 61 SER HB3 H 1 3.450 0.03 . 2 . . . . 61 SER HB2 . 6625 1 661 . 1 1 61 61 SER C C 13 178.166 0.3 . 1 . . . . 61 SER C . 6625 1 662 . 1 1 61 61 SER CA C 13 61.910 0.3 . 1 . . . . 61 SER CA . 6625 1 663 . 1 1 61 61 SER CB C 13 62.330 0.3 . 1 . . . . 61 SER CB . 6625 1 664 . 1 1 61 61 SER N N 15 115.220 0.3 . 1 . . . . 61 SER N . 6625 1 665 . 1 1 62 62 GLY H H 1 7.622 0.03 . 1 . . . . 62 GLY HN . 6625 1 666 . 1 1 62 62 GLY HA2 H 1 3.917 0.03 . 2 . . . . 62 GLY HA1 . 6625 1 667 . 1 1 62 62 GLY HA3 H 1 4.014 0.03 . 2 . . . . 62 GLY HA2 . 6625 1 668 . 1 1 62 62 GLY C C 13 176.609 0.3 . 1 . . . . 62 GLY C . 6625 1 669 . 1 1 62 62 GLY CA C 13 47.410 0.3 . 1 . . . . 62 GLY CA . 6625 1 670 . 1 1 62 62 GLY N N 15 111.040 0.3 . 1 . . . . 62 GLY N . 6625 1 671 . 1 1 63 63 ASP H H 1 7.910 0.03 . 1 . . . . 63 ASP HN . 6625 1 672 . 1 1 63 63 ASP HA H 1 4.450 0.03 . 1 . . . . 63 ASP HA . 6625 1 673 . 1 1 63 63 ASP HB2 H 1 2.635 0.03 . 2 . . . . 63 ASP HB1 . 6625 1 674 . 1 1 63 63 ASP HB3 H 1 2.932 0.03 . 2 . . . . 63 ASP HB2 . 6625 1 675 . 1 1 63 63 ASP C C 13 179.828 0.3 . 1 . . . . 63 ASP C . 6625 1 676 . 1 1 63 63 ASP CA C 13 57.540 0.3 . 1 . . . . 63 ASP CA . 6625 1 677 . 1 1 63 63 ASP CB C 13 40.150 0.3 . 1 . . . . 63 ASP CB . 6625 1 678 . 1 1 63 63 ASP N N 15 123.860 0.3 . 1 . . . . 63 ASP N . 6625 1 679 . 1 1 64 64 MET H H 1 8.692 0.03 . 1 . . . . 64 MET HN . 6625 1 680 . 1 1 64 64 MET HA H 1 4.356 0.03 . 1 . . . . 64 MET HA . 6625 1 681 . 1 1 64 64 MET HB2 H 1 1.633 0.03 . 2 . . . . 64 MET HB1 . 6625 1 682 . 1 1 64 64 MET HB3 H 1 2.164 0.03 . 2 . . . . 64 MET HB2 . 6625 1 683 . 1 1 64 64 MET HG2 H 1 2.529 0.03 . 2 . . . . 64 MET HG1 . 6625 1 684 . 1 1 64 64 MET HG3 H 1 2.667 0.03 . 2 . . . . 64 MET HG2 . 6625 1 685 . 1 1 64 64 MET HE1 H 1 1.951 0.03 . 1 . . . . 64 MET HE1 . 6625 1 686 . 1 1 64 64 MET HE2 H 1 1.951 0.03 . 1 . . . . 64 MET HE1 . 6625 1 687 . 1 1 64 64 MET HE3 H 1 1.951 0.03 . 1 . . . . 64 MET HE1 . 6625 1 688 . 1 1 64 64 MET C C 13 179.740 0.3 . 1 . . . . 64 MET C . 6625 1 689 . 1 1 64 64 MET CA C 13 57.100 0.3 . 1 . . . . 64 MET CA . 6625 1 690 . 1 1 64 64 MET CB C 13 32.250 0.3 . 1 . . . . 64 MET CB . 6625 1 691 . 1 1 64 64 MET CG C 13 33.270 0.3 . 1 . . . . 64 MET CG . 6625 1 692 . 1 1 64 64 MET CE C 13 19.570 0.3 . 1 . . . . 64 MET CE . 6625 1 693 . 1 1 64 64 MET N N 15 119.600 0.3 . 1 . . . . 64 MET N . 6625 1 694 . 1 1 65 65 GLN H H 1 8.513 0.03 . 1 . . . . 65 GLN HN . 6625 1 695 . 1 1 65 65 GLN HA H 1 4.357 0.03 . 1 . . . . 65 GLN HA . 6625 1 696 . 1 1 65 65 GLN HB2 H 1 2.271 0.03 . 2 . . . . 65 GLN HB1 . 6625 1 697 . 1 1 65 65 GLN HB3 H 1 2.335 0.03 . 2 . . . . 65 GLN HB2 . 6625 1 698 . 1 1 65 65 GLN HG2 H 1 2.539 0.03 . 2 . . . . 65 GLN HG1 . 6625 1 699 . 1 1 65 65 GLN HG3 H 1 2.630 0.03 . 2 . . . . 65 GLN HG2 . 6625 1 700 . 1 1 65 65 GLN HE21 H 1 7.440 0.03 . 2 . . . . 65 GLN HE21 . 6625 1 701 . 1 1 65 65 GLN HE22 H 1 6.880 0.03 . 2 . . . . 65 GLN HE22 . 6625 1 702 . 1 1 65 65 GLN C C 13 180.545 0.3 . 1 . . . . 65 GLN C . 6625 1 703 . 1 1 65 65 GLN CA C 13 59.160 0.3 . 1 . . . . 65 GLN CA . 6625 1 704 . 1 1 65 65 GLN CB C 13 28.120 0.3 . 1 . . . . 65 GLN CB . 6625 1 705 . 1 1 65 65 GLN CG C 13 34.510 0.3 . 1 . . . . 65 GLN CG . 6625 1 706 . 1 1 65 65 GLN N N 15 123.060 0.3 . 1 . . . . 65 GLN N . 6625 1 707 . 1 1 65 65 GLN NE2 N 15 111.980 0.3 . 1 . . . . 65 GLN NE2 . 6625 1 708 . 1 1 66 66 LYS H H 1 7.481 0.03 . 1 . . . . 66 LYS HN . 6625 1 709 . 1 1 66 66 LYS HA H 1 4.168 0.03 . 1 . . . . 66 LYS HA . 6625 1 710 . 1 1 66 66 LYS HB2 H 1 2.039 0.03 . 2 . . . . 66 LYS HB2 . 6625 1 711 . 1 1 66 66 LYS HG2 H 1 1.578 0.03 . 2 . . . . 66 LYS HG1 . 6625 1 712 . 1 1 66 66 LYS HG3 H 1 1.750 0.03 . 2 . . . . 66 LYS HG2 . 6625 1 713 . 1 1 66 66 LYS HD2 H 1 1.757 0.03 . 2 . . . . 66 LYS HD2 . 6625 1 714 . 1 1 66 66 LYS HE2 H 1 3.031 0.03 . 2 . . . . 66 LYS HE2 . 6625 1 715 . 1 1 66 66 LYS C C 13 177.536 0.3 . 1 . . . . 66 LYS C . 6625 1 716 . 1 1 66 66 LYS CA C 13 59.200 0.3 . 1 . . . . 66 LYS CA . 6625 1 717 . 1 1 66 66 LYS CB C 13 32.330 0.3 . 1 . . . . 66 LYS CB . 6625 1 718 . 1 1 66 66 LYS CG C 13 25.530 0.3 . 1 . . . . 66 LYS CG . 6625 1 719 . 1 1 66 66 LYS CD C 13 29.520 0.3 . 1 . . . . 66 LYS CD . 6625 1 720 . 1 1 66 66 LYS CE C 13 42.510 0.3 . 1 . . . . 66 LYS CE . 6625 1 721 . 1 1 66 66 LYS N N 15 119.640 0.3 . 1 . . . . 66 LYS N . 6625 1 722 . 1 1 67 67 GLN H H 1 7.339 0.03 . 1 . . . . 67 GLN HN . 6625 1 723 . 1 1 67 67 GLN HA H 1 4.577 0.03 . 1 . . . . 67 GLN HA . 6625 1 724 . 1 1 67 67 GLN HB2 H 1 2.100 0.03 . 2 . . . . 67 GLN HB1 . 6625 1 725 . 1 1 67 67 GLN HB3 H 1 2.416 0.03 . 2 . . . . 67 GLN HB2 . 6625 1 726 . 1 1 67 67 GLN HG2 H 1 2.416 0.03 . 2 . . . . 67 GLN HG2 . 6625 1 727 . 1 1 67 67 GLN HE21 H 1 6.628 0.03 . 2 . . . . 67 GLN HE21 . 6625 1 728 . 1 1 67 67 GLN HE22 H 1 7.174 0.03 . 2 . . . . 67 GLN HE22 . 6625 1 729 . 1 1 67 67 GLN C C 13 175.508 0.3 . 1 . . . . 67 GLN C . 6625 1 730 . 1 1 67 67 GLN CA C 13 54.860 0.3 . 1 . . . . 67 GLN CA . 6625 1 731 . 1 1 67 67 GLN CB C 13 29.620 0.3 . 1 . . . . 67 GLN CB . 6625 1 732 . 1 1 67 67 GLN CG C 13 34.260 0.3 . 1 . . . . 67 GLN CG . 6625 1 733 . 1 1 67 67 GLN N N 15 115.770 0.3 . 1 . . . . 67 GLN N . 6625 1 734 . 1 1 67 67 GLN NE2 N 15 111.030 0.3 . 1 . . . . 67 GLN NE2 . 6625 1 735 . 1 1 68 68 GLY H H 1 7.770 0.03 . 1 . . . . 68 GLY HN . 6625 1 736 . 1 1 68 68 GLY HA2 H 1 3.855 0.03 . 2 . . . . 68 GLY HA1 . 6625 1 737 . 1 1 68 68 GLY HA3 H 1 4.199 0.03 . 2 . . . . 68 GLY HA2 . 6625 1 738 . 1 1 68 68 GLY C C 13 174.405 0.3 . 1 . . . . 68 GLY C . 6625 1 739 . 1 1 68 68 GLY CA C 13 46.050 0.3 . 1 . . . . 68 GLY CA . 6625 1 740 . 1 1 68 68 GLY N N 15 130.090 0.3 . 1 . . . . 68 GLY N . 6625 1 741 . 1 1 69 69 CYS H H 1 7.698 0.03 . 1 . . . . 69 CYS HN . 6625 1 742 . 1 1 69 69 CYS HA H 1 4.826 0.03 . 1 . . . . 69 CYS HA . 6625 1 743 . 1 1 69 69 CYS HB2 H 1 2.415 0.03 . 2 . . . . 69 CYS HB1 . 6625 1 744 . 1 1 69 69 CYS HB3 H 1 2.789 0.03 . 2 . . . . 69 CYS HB2 . 6625 1 745 . 1 1 69 69 CYS C C 13 173.453 0.3 . 1 . . . . 69 CYS C . 6625 1 746 . 1 1 69 69 CYS CA C 13 58.540 0.3 . 1 . . . . 69 CYS CA . 6625 1 747 . 1 1 69 69 CYS CB C 13 30.410 0.3 . 1 . . . . 69 CYS CB . 6625 1 748 . 1 1 69 69 CYS N N 15 117.840 0.3 . 1 . . . . 69 CYS N . 6625 1 749 . 1 1 70 70 ASP H H 1 8.357 0.03 . 1 . . . . 70 ASP HN . 6625 1 750 . 1 1 70 70 ASP HA H 1 4.951 0.03 . 1 . . . . 70 ASP HA . 6625 1 751 . 1 1 70 70 ASP HB2 H 1 2.448 0.03 . 2 . . . . 70 ASP HB1 . 6625 1 752 . 1 1 70 70 ASP HB3 H 1 2.633 0.03 . 2 . . . . 70 ASP HB2 . 6625 1 753 . 1 1 70 70 ASP C C 13 175.613 0.3 . 1 . . . . 70 ASP C . 6625 1 754 . 1 1 70 70 ASP CA C 13 53.540 0.3 . 1 . . . . 70 ASP CA . 6625 1 755 . 1 1 70 70 ASP CB C 13 43.780 0.3 . 1 . . . . 70 ASP CB . 6625 1 756 . 1 1 70 70 ASP N N 15 122.910 0.3 . 1 . . . . 70 ASP N . 6625 1 757 . 1 1 71 71 CYS H H 1 8.512 0.03 . 1 . . . . 71 CYS HN . 6625 1 758 . 1 1 71 71 CYS HA H 1 5.827 0.03 . 1 . . . . 71 CYS HA . 6625 1 759 . 1 1 71 71 CYS HB2 H 1 2.729 0.03 . 2 . . . . 71 CYS HB1 . 6625 1 760 . 1 1 71 71 CYS HB3 H 1 2.885 0.03 . 2 . . . . 71 CYS HB2 . 6625 1 761 . 1 1 71 71 CYS C C 13 173.331 0.3 . 1 . . . . 71 CYS C . 6625 1 762 . 1 1 71 71 CYS CA C 13 57.970 0.3 . 1 . . . . 71 CYS CA . 6625 1 763 . 1 1 71 71 CYS CB C 13 32.730 0.3 . 1 . . . . 71 CYS CB . 6625 1 764 . 1 1 71 71 CYS N N 15 117.060 0.3 . 1 . . . . 71 CYS N . 6625 1 765 . 1 1 72 72 GLU H H 1 8.900 0.03 . 1 . . . . 72 GLU HN . 6625 1 766 . 1 1 72 72 GLU HA H 1 4.764 0.03 . 1 . . . . 72 GLU HA . 6625 1 767 . 1 1 72 72 GLU HB2 H 1 1.950 0.03 . 2 . . . . 72 GLU HB1 . 6625 1 768 . 1 1 72 72 GLU HB3 H 1 2.071 0.03 . 2 . . . . 72 GLU HB2 . 6625 1 769 . 1 1 72 72 GLU HG2 H 1 2.200 0.03 . 2 . . . . 72 GLU HG1 . 6625 1 770 . 1 1 72 72 GLU HG3 H 1 2.230 0.03 . 2 . . . . 72 GLU HG2 . 6625 1 771 . 1 1 72 72 GLU C C 13 174.878 0.3 . 1 . . . . 72 GLU C . 6625 1 772 . 1 1 72 72 GLU CA C 13 55.310 0.3 . 1 . . . . 72 GLU CA . 6625 1 773 . 1 1 72 72 GLU CB C 13 33.990 0.3 . 1 . . . . 72 GLU CB . 6625 1 774 . 1 1 72 72 GLU CG C 13 36.770 0.3 . 1 . . . . 72 GLU CG . 6625 1 775 . 1 1 72 72 GLU N N 15 119.360 0.3 . 1 . . . . 72 GLU N . 6625 1 776 . 1 1 73 73 CYS H H 1 9.207 0.03 . 1 . . . . 73 CYS HN . 6625 1 777 . 1 1 73 73 CYS HA H 1 4.107 0.03 . 1 . . . . 73 CYS HA . 6625 1 778 . 1 1 73 73 CYS HB2 H 1 1.164 0.03 . 2 . . . . 73 CYS HB1 . 6625 1 779 . 1 1 73 73 CYS HB3 H 1 2.072 0.03 . 2 . . . . 73 CYS HB2 . 6625 1 780 . 1 1 73 73 CYS C C 13 174.738 0.3 . 1 . . . . 73 CYS C . 6625 1 781 . 1 1 73 73 CYS CA C 13 58.720 0.3 . 1 . . . . 73 CYS CA . 6625 1 782 . 1 1 73 73 CYS CB C 13 26.780 0.3 . 1 . . . . 73 CYS CB . 6625 1 783 . 1 1 73 73 CYS N N 15 126.110 0.3 . 1 . . . . 73 CYS N . 6625 1 784 . 1 1 74 74 LEU H H 1 9.075 0.03 . 1 . . . . 74 LEU HN . 6625 1 785 . 1 1 74 74 LEU HA H 1 4.576 0.03 . 1 . . . . 74 LEU HA . 6625 1 786 . 1 1 74 74 LEU HB2 H 1 1.351 0.03 . 2 . . . . 74 LEU HB1 . 6625 1 787 . 1 1 74 74 LEU HB3 H 1 1.697 0.03 . 2 . . . . 74 LEU HB2 . 6625 1 788 . 1 1 74 74 LEU HG H 1 1.507 0.03 . 1 . . . . 74 LEU HG . 6625 1 789 . 1 1 74 74 LEU HD11 H 1 0.801 0.03 . 2 . . . . 74 LEU HD11 . 6625 1 790 . 1 1 74 74 LEU HD12 H 1 0.801 0.03 . 2 . . . . 74 LEU HD11 . 6625 1 791 . 1 1 74 74 LEU HD13 H 1 0.801 0.03 . 2 . . . . 74 LEU HD11 . 6625 1 792 . 1 1 74 74 LEU HD21 H 1 0.698 0.03 . 2 . . . . 74 LEU HD21 . 6625 1 793 . 1 1 74 74 LEU HD22 H 1 0.698 0.03 . 2 . . . . 74 LEU HD21 . 6625 1 794 . 1 1 74 74 LEU HD23 H 1 0.698 0.03 . 2 . . . . 74 LEU HD21 . 6625 1 795 . 1 1 74 74 LEU C C 13 176.139 0.3 . 1 . . . . 74 LEU C . 6625 1 796 . 1 1 74 74 LEU CA C 13 54.120 0.3 . 1 . . . . 74 LEU CA . 6625 1 797 . 1 1 74 74 LEU CB C 13 40.860 0.3 . 1 . . . . 74 LEU CB . 6625 1 798 . 1 1 74 74 LEU CG C 13 26.760 0.3 . 1 . . . . 74 LEU CG . 6625 1 799 . 1 1 74 74 LEU CD1 C 13 25.780 0.3 . 1 . . . . 74 LEU CD1 . 6625 1 800 . 1 1 74 74 LEU CD2 C 13 21.760 0.3 . 1 . . . . 74 LEU CD2 . 6625 1 801 . 1 1 74 74 LEU N N 15 129.300 0.3 . 1 . . . . 74 LEU N . 6625 1 802 . 1 1 75 75 GLY H H 1 7.509 0.03 . 1 . . . . 75 GLY HN . 6625 1 803 . 1 1 75 75 GLY HA2 H 1 3.355 0.03 . 2 . . . . 75 GLY HA1 . 6625 1 804 . 1 1 75 75 GLY HA3 H 1 4.081 0.03 . 2 . . . . 75 GLY HA2 . 6625 1 805 . 1 1 75 75 GLY C C 13 181.839 0.3 . 1 . . . . 75 GLY C . 6625 1 806 . 1 1 75 75 GLY CA C 13 43.080 0.3 . 1 . . . . 75 GLY CA . 6625 1 807 . 1 1 75 75 GLY N N 15 129.140 0.3 . 1 . . . . 75 GLY N . 6625 1 808 . 1 1 76 76 GLY H H 1 8.070 0.03 . 1 . . . . 76 GLY HN . 6625 1 809 . 1 1 76 76 GLY HA2 H 1 3.401 0.03 . 2 . . . . 76 GLY HA1 . 6625 1 810 . 1 1 76 76 GLY HA3 H 1 4.285 0.03 . 2 . . . . 76 GLY HA2 . 6625 1 811 . 1 1 76 76 GLY C C 13 181.926 0.3 . 1 . . . . 76 GLY C . 6625 1 812 . 1 1 76 76 GLY CA C 13 44.810 0.3 . 1 . . . . 76 GLY CA . 6625 1 813 . 1 1 76 76 GLY N N 15 125.860 0.3 . 1 . . . . 76 GLY N . 6625 1 814 . 1 1 77 77 GLY H H 1 7.656 0.03 . 1 . . . . 77 GLY HN . 6625 1 815 . 1 1 77 77 GLY HA2 H 1 3.924 0.03 . 2 . . . . 77 GLY HA1 . 6625 1 816 . 1 1 77 77 GLY HA3 H 1 4.167 0.03 . 2 . . . . 77 GLY HA2 . 6625 1 817 . 1 1 77 77 GLY C C 13 172.076 0.3 . 1 . . . . 77 GLY C . 6625 1 818 . 1 1 77 77 GLY CA C 13 46.210 0.3 . 1 . . . . 77 GLY CA . 6625 1 819 . 1 1 77 77 GLY N N 15 128.230 0.3 . 1 . . . . 77 GLY N . 6625 1 820 . 1 1 78 78 ARG H H 1 9.958 0.03 . 1 . . . . 78 ARG HN . 6625 1 821 . 1 1 78 78 ARG HA H 1 4.763 0.03 . 1 . . . . 78 ARG HA . 6625 1 822 . 1 1 78 78 ARG HB2 H 1 0.378 0.03 . 2 . . . . 78 ARG HB1 . 6625 1 823 . 1 1 78 78 ARG HB3 H 1 0.808 0.03 . 2 . . . . 78 ARG HB2 . 6625 1 824 . 1 1 78 78 ARG HG2 H 1 1.239 0.03 . 2 . . . . 78 ARG HG2 . 6625 1 825 . 1 1 78 78 ARG HD2 H 1 2.860 0.03 . 2 . . . . 78 ARG HD1 . 6625 1 826 . 1 1 78 78 ARG HD3 H 1 2.551 0.03 . 2 . . . . 78 ARG HD2 . 6625 1 827 . 1 1 78 78 ARG C C 13 182.094 0.3 . 1 . . . . 78 ARG C . 6625 1 828 . 1 1 78 78 ARG CA C 13 53.790 0.3 . 1 . . . . 78 ARG CA . 6625 1 829 . 1 1 78 78 ARG CB C 13 33.480 0.3 . 1 . . . . 78 ARG CB . 6625 1 830 . 1 1 78 78 ARG CG C 13 27.510 0.3 . 1 . . . . 78 ARG CG . 6625 1 831 . 1 1 78 78 ARG CD C 13 43.010 0.3 . 1 . . . . 78 ARG CD . 6625 1 832 . 1 1 78 78 ARG N N 15 110.000 0.3 . 1 . . . . 78 ARG N . 6625 1 833 . 1 1 79 79 ILE H H 1 8.696 0.03 . 1 . . . . 79 ILE HN . 6625 1 834 . 1 1 79 79 ILE HA H 1 4.510 0.03 . 1 . . . . 79 ILE HA . 6625 1 835 . 1 1 79 79 ILE HB H 1 0.607 0.03 . 1 . . . . 79 ILE HB . 6625 1 836 . 1 1 79 79 ILE HG12 H 1 0.320 0.03 . 2 . . . . 79 ILE HG11 . 6625 1 837 . 1 1 79 79 ILE HG13 H 1 1.097 0.03 . 2 . . . . 79 ILE HG12 . 6625 1 838 . 1 1 79 79 ILE HG21 H 1 0.312 0.03 . 1 . . . . 79 ILE HG21 . 6625 1 839 . 1 1 79 79 ILE HG22 H 1 0.312 0.03 . 1 . . . . 79 ILE HG21 . 6625 1 840 . 1 1 79 79 ILE HG23 H 1 0.312 0.03 . 1 . . . . 79 ILE HG21 . 6625 1 841 . 1 1 79 79 ILE HD11 H 1 0.081 0.03 . 1 . . . . 79 ILE HD11 . 6625 1 842 . 1 1 79 79 ILE HD12 H 1 0.081 0.03 . 1 . . . . 79 ILE HD11 . 6625 1 843 . 1 1 79 79 ILE HD13 H 1 0.081 0.03 . 1 . . . . 79 ILE HD11 . 6625 1 844 . 1 1 79 79 ILE C C 13 174.248 0.3 . 1 . . . . 79 ILE C . 6625 1 845 . 1 1 79 79 ILE CA C 13 59.440 0.3 . 1 . . . . 79 ILE CA . 6625 1 846 . 1 1 79 79 ILE CB C 13 41.280 0.3 . 1 . . . . 79 ILE CB . 6625 1 847 . 1 1 79 79 ILE CG1 C 13 28.810 0.3 . 1 . . . . 79 ILE CG1 . 6625 1 848 . 1 1 79 79 ILE CG2 C 13 17.870 0.3 . 1 . . . . 79 ILE CG2 . 6625 1 849 . 1 1 79 79 ILE CD1 C 13 13.640 0.3 . 1 . . . . 79 ILE CD1 . 6625 1 850 . 1 1 79 79 ILE N N 15 122.130 0.3 . 1 . . . . 79 ILE N . 6625 1 851 . 1 1 80 80 SER H H 1 8.948 0.03 . 1 . . . . 80 SER HN . 6625 1 852 . 1 1 80 80 SER HA H 1 4.788 0.03 . 1 . . . . 80 SER HA . 6625 1 853 . 1 1 80 80 SER HB2 H 1 3.896 0.03 . 2 . . . . 80 SER HB1 . 6625 1 854 . 1 1 80 80 SER HB3 H 1 4.010 0.03 . 2 . . . . 80 SER HB2 . 6625 1 855 . 1 1 80 80 SER C C 13 173.645 0.3 . 1 . . . . 80 SER C . 6625 1 856 . 1 1 80 80 SER CA C 13 55.450 0.3 . 1 . . . . 80 SER CA . 6625 1 857 . 1 1 80 80 SER CB C 13 63.980 0.3 . 1 . . . . 80 SER CB . 6625 1 858 . 1 1 80 80 SER N N 15 118.550 0.3 . 1 . . . . 80 SER N . 6625 1 859 . 1 1 81 81 HIS HD2 H 1 6.477 0.03 . 1 . . . . 81 HIS HD2 . 6625 1 860 . 1 1 82 82 GLN HE21 H 1 6.786 0.03 . 2 . . . . 82 GLN HE21 . 6625 1 861 . 1 1 82 82 GLN HE22 H 1 7.389 0.03 . 2 . . . . 82 GLN HE22 . 6625 1 862 . 1 1 82 82 GLN CA C 13 54.480 0.3 . 1 . . . . 82 GLN CA . 6625 1 863 . 1 1 82 82 GLN CB C 13 27.630 0.3 . 1 . . . . 82 GLN CB . 6625 1 864 . 1 1 82 82 GLN CG C 13 33.400 0.3 . 1 . . . . 82 GLN CG . 6625 1 865 . 1 1 82 82 GLN NE2 N 15 111.820 0.3 . 1 . . . . 82 GLN NE2 . 6625 1 866 . 1 1 83 83 SER HA H 1 4.276 0.03 . 1 . . . . 83 SER HA . 6625 1 867 . 1 1 83 83 SER HB2 H 1 3.886 0.03 . 2 . . . . 83 SER HB2 . 6625 1 868 . 1 1 83 83 SER C C 13 177.990 0.3 . 1 . . . . 83 SER C . 6625 1 869 . 1 1 83 83 SER CA C 13 59.340 0.3 . 1 . . . . 83 SER CA . 6625 1 870 . 1 1 83 83 SER CB C 13 63.160 0.3 . 1 . . . . 83 SER CB . 6625 1 871 . 1 1 84 84 GLN H H 1 8.920 0.03 . 1 . . . . 84 GLN HN . 6625 1 872 . 1 1 84 84 GLN HA H 1 4.113 0.03 . 1 . . . . 84 GLN HA . 6625 1 873 . 1 1 84 84 GLN HB2 H 1 2.070 0.03 . 2 . . . . 84 GLN HB1 . 6625 1 874 . 1 1 84 84 GLN HB3 H 1 2.100 0.03 . 2 . . . . 84 GLN HB2 . 6625 1 875 . 1 1 84 84 GLN HG2 H 1 2.403 0.03 . 2 . . . . 84 GLN HG2 . 6625 1 876 . 1 1 84 84 GLN HE21 H 1 6.883 0.03 . 2 . . . . 84 GLN HE21 . 6625 1 877 . 1 1 84 84 GLN HE22 H 1 7.593 0.03 . 2 . . . . 84 GLN HE22 . 6625 1 878 . 1 1 84 84 GLN C C 13 176.910 0.3 . 1 . . . . 84 GLN C . 6625 1 879 . 1 1 84 84 GLN CA C 13 58.830 0.3 . 1 . . . . 84 GLN CA . 6625 1 880 . 1 1 84 84 GLN CB C 13 28.000 0.3 . 1 . . . . 84 GLN CB . 6625 1 881 . 1 1 84 84 GLN CG C 13 33.880 0.3 . 1 . . . . 84 GLN CG . 6625 1 882 . 1 1 84 84 GLN N N 15 123.920 0.3 . 1 . . . . 84 GLN N . 6625 1 883 . 1 1 84 84 GLN NE2 N 15 113.420 0.3 . 1 . . . . 84 GLN NE2 . 6625 1 884 . 1 1 85 85 ASP HA H 1 4.139 0.03 . 1 . . . . 85 ASP HA . 6625 1 885 . 1 1 85 85 ASP HB2 H 1 2.861 0.03 . 2 . . . . 85 ASP HB1 . 6625 1 886 . 1 1 85 85 ASP HB3 H 1 3.123 0.03 . 2 . . . . 85 ASP HB2 . 6625 1 887 . 1 1 85 85 ASP CA C 13 54.850 0.3 . 1 . . . . 85 ASP CA . 6625 1 888 . 1 1 85 85 ASP CB C 13 31.980 0.3 . 1 . . . . 85 ASP CB . 6625 1 889 . 1 1 86 86 LYS HA H 1 5.378 0.03 . 1 . . . . 86 LYS HA . 6625 1 890 . 1 1 86 86 LYS HB2 H 1 1.483 0.03 . 2 . . . . 86 LYS HB1 . 6625 1 891 . 1 1 86 86 LYS HB3 H 1 1.763 0.03 . 2 . . . . 86 LYS HB2 . 6625 1 892 . 1 1 86 86 LYS HG2 H 1 1.286 0.03 . 2 . . . . 86 LYS HG1 . 6625 1 893 . 1 1 86 86 LYS HG3 H 1 1.395 0.03 . 2 . . . . 86 LYS HG2 . 6625 1 894 . 1 1 86 86 LYS HD2 H 1 1.601 0.03 . 2 . . . . 86 LYS HD1 . 6625 1 895 . 1 1 86 86 LYS HD3 H 1 1.553 0.03 . 2 . . . . 86 LYS HD2 . 6625 1 896 . 1 1 86 86 LYS HE2 H 1 2.900 0.03 . 2 . . . . 86 LYS HE2 . 6625 1 897 . 1 1 86 86 LYS CA C 13 55.050 0.3 . 1 . . . . 86 LYS CA . 6625 1 898 . 1 1 86 86 LYS CB C 13 37.310 0.3 . 1 . . . . 86 LYS CB . 6625 1 899 . 1 1 86 86 LYS CG C 13 25.180 0.3 . 1 . . . . 86 LYS CG . 6625 1 900 . 1 1 86 86 LYS CD C 13 29.640 0.3 . 1 . . . . 86 LYS CD . 6625 1 901 . 1 1 86 86 LYS CE C 13 42.371 0.3 . 1 . . . . 86 LYS CE . 6625 1 902 . 1 1 89 89 HIS HA H 1 5.733 0.03 . 1 . . . . 89 HIS HA . 6625 1 903 . 1 1 89 89 HIS HB2 H 1 2.778 0.03 . 2 . . . . 89 HIS HB1 . 6625 1 904 . 1 1 89 89 HIS HB3 H 1 2.920 0.03 . 2 . . . . 89 HIS HB2 . 6625 1 905 . 1 1 89 89 HIS HE1 H 1 7.289 0.03 . 1 . . . . 89 HIS HE1 . 6625 1 906 . 1 1 89 89 HIS C C 13 173.471 0.3 . 1 . . . . 89 HIS C . 6625 1 907 . 1 1 89 89 HIS CA C 13 54.370 0.3 . 1 . . . . 89 HIS CA . 6625 1 908 . 1 1 89 89 HIS CB C 13 34.760 0.3 . 1 . . . . 89 HIS CB . 6625 1 909 . 1 1 89 89 HIS CE1 C 13 137.600 0.3 . 1 . . . . 89 HIS CE1 . 6625 1 910 . 1 1 90 90 VAL H H 1 8.410 0.03 . 1 . . . . 90 VAL HN . 6625 1 911 . 1 1 90 90 VAL HA H 1 4.419 0.03 . 1 . . . . 90 VAL HA . 6625 1 912 . 1 1 90 90 VAL HB H 1 1.905 0.03 . 1 . . . . 90 VAL HB . 6625 1 913 . 1 1 90 90 VAL HG11 H 1 0.512 0.03 . 2 . . . . 90 VAL HG11 . 6625 1 914 . 1 1 90 90 VAL HG12 H 1 0.512 0.03 . 2 . . . . 90 VAL HG11 . 6625 1 915 . 1 1 90 90 VAL HG13 H 1 0.512 0.03 . 2 . . . . 90 VAL HG11 . 6625 1 916 . 1 1 90 90 VAL HG21 H 1 0.630 0.03 . 2 . . . . 90 VAL HG21 . 6625 1 917 . 1 1 90 90 VAL HG22 H 1 0.630 0.03 . 2 . . . . 90 VAL HG21 . 6625 1 918 . 1 1 90 90 VAL HG23 H 1 0.630 0.03 . 2 . . . . 90 VAL HG21 . 6625 1 919 . 1 1 90 90 VAL C C 13 173.630 0.3 . 1 . . . . 90 VAL C . 6625 1 920 . 1 1 90 90 VAL CA C 13 61.520 0.3 . 1 . . . . 90 VAL CA . 6625 1 921 . 1 1 90 90 VAL CB C 13 33.200 0.3 . 1 . . . . 90 VAL CB . 6625 1 922 . 1 1 90 90 VAL CG1 C 13 21.760 0.3 . 1 . . . . 90 VAL CG1 . 6625 1 923 . 1 1 90 90 VAL CG2 C 13 22.770 0.3 . 1 . . . . 90 VAL CG2 . 6625 1 924 . 1 1 90 90 VAL N N 15 129.930 0.3 . 1 . . . . 90 VAL N . 6625 1 925 . 1 1 91 91 TYR H H 1 8.758 0.03 . 1 . . . . 91 TYR HN . 6625 1 926 . 1 1 91 91 TYR HA H 1 5.670 0.03 . 1 . . . . 91 TYR HA . 6625 1 927 . 1 1 91 91 TYR HB2 H 1 2.664 0.03 . 2 . . . . 91 TYR HB1 . 6625 1 928 . 1 1 91 91 TYR HB3 H 1 3.210 0.03 . 2 . . . . 91 TYR HB2 . 6625 1 929 . 1 1 91 91 TYR HD1 H 1 6.836 0.03 . 3 . . . . 91 TYR HD1 . 6625 1 930 . 1 1 91 91 TYR HE1 H 1 6.451 0.03 . 3 . . . . 91 TYR HE1 . 6625 1 931 . 1 1 91 91 TYR C C 13 176.295 0.3 . 1 . . . . 91 TYR C . 6625 1 932 . 1 1 91 91 TYR CA C 13 56.040 0.3 . 1 . . . . 91 TYR CA . 6625 1 933 . 1 1 91 91 TYR CB C 13 37.700 0.3 . 1 . . . . 91 TYR CB . 6625 1 934 . 1 1 91 91 TYR CD1 C 13 135.040 0.3 . 3 . . . . 91 TYR CD1 . 6625 1 935 . 1 1 91 91 TYR CE1 C 13 117.150 0.3 . 3 . . . . 91 TYR CE1 . 6625 1 936 . 1 1 91 91 TYR N N 15 123.010 0.3 . 1 . . . . 91 TYR N . 6625 1 937 . 1 1 92 92 GLY H H 1 7.988 0.03 . 1 . . . . 92 GLY HN . 6625 1 938 . 1 1 92 92 GLY HA2 H 1 4.080 0.03 . 2 . . . . 92 GLY HA1 . 6625 1 939 . 1 1 92 92 GLY HA3 H 1 4.293 0.03 . 2 . . . . 92 GLY HA2 . 6625 1 940 . 1 1 92 92 GLY C C 13 174.633 0.3 . 1 . . . . 92 GLY C . 6625 1 941 . 1 1 92 92 GLY CA C 13 46.050 0.3 . 1 . . . . 92 GLY CA . 6625 1 942 . 1 1 92 92 GLY N N 15 127.430 0.3 . 1 . . . . 92 GLY N . 6625 1 943 . 1 1 93 93 TYR H H 1 8.077 0.03 . 1 . . . . 93 TYR HN . 6625 1 944 . 1 1 93 93 TYR HA H 1 5.370 0.03 . 1 . . . . 93 TYR HA . 6625 1 945 . 1 1 93 93 TYR HB2 H 1 2.410 0.03 . 2 . . . . 93 TYR HB1 . 6625 1 946 . 1 1 93 93 TYR HB3 H 1 3.475 0.03 . 2 . . . . 93 TYR HB2 . 6625 1 947 . 1 1 93 93 TYR HD1 H 1 7.040 0.03 . 3 . . . . 93 TYR HD1 . 6625 1 948 . 1 1 93 93 TYR HE1 H 1 6.836 0.03 . 3 . . . . 93 TYR HE1 . 6625 1 949 . 1 1 93 93 TYR C C 13 182.049 0.3 . 1 . . . . 93 TYR C . 6625 1 950 . 1 1 93 93 TYR CA C 13 56.730 0.3 . 1 . . . . 93 TYR CA . 6625 1 951 . 1 1 93 93 TYR CB C 13 39.960 0.3 . 1 . . . . 93 TYR CB . 6625 1 952 . 1 1 93 93 TYR CD1 C 13 134.104 0.3 . 3 . . . . 93 TYR CD1 . 6625 1 953 . 1 1 93 93 TYR CE1 C 13 118.450 0.3 . 3 . . . . 93 TYR CE1 . 6625 1 954 . 1 1 93 93 TYR N N 15 114.750 0.3 . 1 . . . . 93 TYR N . 6625 1 955 . 1 1 94 94 SER H H 1 6.060 0.03 . 1 . . . . 94 SER HN . 6625 1 956 . 1 1 94 94 SER HA H 1 4.900 0.03 . 1 . . . . 94 SER HA . 6625 1 957 . 1 1 94 94 SER HB2 H 1 1.987 0.03 . 2 . . . . 94 SER HB1 . 6625 1 958 . 1 1 94 94 SER HB3 H 1 3.437 0.03 . 2 . . . . 94 SER HB2 . 6625 1 959 . 1 1 94 94 SER C C 13 179.295 0.3 . 1 . . . . 94 SER C . 6625 1 960 . 1 1 94 94 SER CA C 13 55.110 0.3 . 1 . . . . 94 SER CA . 6625 1 961 . 1 1 94 94 SER CB C 13 63.780 0.3 . 1 . . . . 94 SER CB . 6625 1 962 . 1 1 94 94 SER N N 15 111.210 0.3 . 1 . . . . 94 SER N . 6625 1 963 . 1 1 95 95 MET C C 13 178.614 0.3 . 1 . . . . 95 MET C . 6625 1 964 . 1 1 95 95 MET CA C 13 59.420 0.3 . 1 . . . . 95 MET CA . 6625 1 965 . 1 1 95 95 MET CB C 13 31.950 0.3 . 1 . . . . 95 MET CB . 6625 1 966 . 1 1 95 95 MET CG C 13 33.260 0.3 . 1 . . . . 95 MET CG . 6625 1 967 . 1 1 96 96 ALA H H 1 9.470 0.03 . 1 . . . . 96 ALA HN . 6625 1 968 . 1 1 96 96 ALA HA H 1 3.980 0.03 . 1 . . . . 96 ALA HA . 6625 1 969 . 1 1 96 96 ALA HB1 H 1 0.900 0.03 . 1 . . . . 96 ALA HB1 . 6625 1 970 . 1 1 96 96 ALA HB2 H 1 0.900 0.03 . 1 . . . . 96 ALA HB1 . 6625 1 971 . 1 1 96 96 ALA HB3 H 1 0.900 0.03 . 1 . . . . 96 ALA HB1 . 6625 1 972 . 1 1 96 96 ALA C C 13 180.832 0.3 . 1 . . . . 96 ALA C . 6625 1 973 . 1 1 96 96 ALA CA C 13 55.010 0.3 . 1 . . . . 96 ALA CA . 6625 1 974 . 1 1 96 96 ALA CB C 13 18.920 0.3 . 1 . . . . 96 ALA CB . 6625 1 975 . 1 1 96 96 ALA N N 15 123.780 0.3 . 1 . . . . 96 ALA N . 6625 1 976 . 1 1 97 97 TYR H H 1 8.080 0.03 . 1 . . . . 97 TYR HN . 6625 1 977 . 1 1 97 97 TYR HA H 1 4.700 0.03 . 1 . . . . 97 TYR HA . 6625 1 978 . 1 1 97 97 TYR HB2 H 1 2.130 0.03 . 2 . . . . 97 TYR HB1 . 6625 1 979 . 1 1 97 97 TYR HB3 H 1 3.131 0.03 . 2 . . . . 97 TYR HB2 . 6625 1 980 . 1 1 97 97 TYR HD1 H 1 6.913 0.03 . 3 . . . . 97 TYR HD1 . 6625 1 981 . 1 1 97 97 TYR HE1 H 1 6.460 0.03 . 3 . . . . 97 TYR HE1 . 6625 1 982 . 1 1 97 97 TYR C C 13 176.435 0.3 . 1 . . . . 97 TYR C . 6625 1 983 . 1 1 97 97 TYR CA C 13 57.340 0.3 . 1 . . . . 97 TYR CA . 6625 1 984 . 1 1 97 97 TYR CB C 13 40.870 0.3 . 1 . . . . 97 TYR CB . 6625 1 985 . 1 1 97 97 TYR CD1 C 13 132.720 0.3 . 3 . . . . 97 TYR CD1 . 6625 1 986 . 1 1 97 97 TYR CE1 C 13 117.170 0.3 . 3 . . . . 97 TYR CE1 . 6625 1 987 . 1 1 97 97 TYR N N 15 112.340 0.3 . 1 . . . . 97 TYR N . 6625 1 988 . 1 1 98 98 GLY H H 1 7.989 0.03 . 1 . . . . 98 GLY HN . 6625 1 989 . 1 1 98 98 GLY HA2 H 1 4.243 0.03 . 2 . . . . 98 GLY HA1 . 6625 1 990 . 1 1 98 98 GLY HA3 H 1 4.519 0.03 . 2 . . . . 98 GLY HA2 . 6625 1 991 . 1 1 98 98 GLY C C 13 172.106 0.3 . 1 . . . . 98 GLY C . 6625 1 992 . 1 1 98 98 GLY CA C 13 44.640 0.3 . 1 . . . . 98 GLY CA . 6625 1 993 . 1 1 98 98 GLY N N 15 110.500 0.3 . 1 . . . . 98 GLY N . 6625 1 994 . 1 1 99 99 PRO HA H 1 5.044 0.03 . 1 . . . . 99 PRO HA . 6625 1 995 . 1 1 99 99 PRO HB2 H 1 2.097 0.03 . 2 . . . . 99 PRO HB1 . 6625 1 996 . 1 1 99 99 PRO HB3 H 1 2.499 0.03 . 2 . . . . 99 PRO HB2 . 6625 1 997 . 1 1 99 99 PRO HG2 H 1 2.151 0.03 . 2 . . . . 99 PRO HG1 . 6625 1 998 . 1 1 99 99 PRO HG3 H 1 2.292 0.03 . 2 . . . . 99 PRO HG2 . 6625 1 999 . 1 1 99 99 PRO HD2 H 1 3.743 0.03 . 2 . . . . 99 PRO HD1 . 6625 1 1000 . 1 1 99 99 PRO HD3 H 1 3.839 0.03 . 2 . . . . 99 PRO HD2 . 6625 1 1001 . 1 1 99 99 PRO C C 13 177.204 0.3 . 1 . . . . 99 PRO C . 6625 1 1002 . 1 1 99 99 PRO CA C 13 62.650 0.3 . 1 . . . . 99 PRO CA . 6625 1 1003 . 1 1 99 99 PRO CB C 13 31.420 0.3 . 1 . . . . 99 PRO CB . 6625 1 1004 . 1 1 99 99 PRO CG C 13 27.020 0.3 . 1 . . . . 99 PRO CG . 6625 1 1005 . 1 1 99 99 PRO CD C 13 49.510 0.3 . 1 . . . . 99 PRO CD . 6625 1 1006 . 1 1 100 100 ALA H H 1 7.355 0.03 . 1 . . . . 100 ALA HN . 6625 1 1007 . 1 1 100 100 ALA HA H 1 4.376 0.03 . 1 . . . . 100 ALA HA . 6625 1 1008 . 1 1 100 100 ALA HB1 H 1 0.758 0.03 . 1 . . . . 100 ALA HB1 . 6625 1 1009 . 1 1 100 100 ALA HB2 H 1 0.758 0.03 . 1 . . . . 100 ALA HB1 . 6625 1 1010 . 1 1 100 100 ALA HB3 H 1 0.758 0.03 . 1 . . . . 100 ALA HB1 . 6625 1 1011 . 1 1 100 100 ALA C C 13 175.962 0.3 . 1 . . . . 100 ALA C . 6625 1 1012 . 1 1 100 100 ALA CA C 13 50.630 0.3 . 1 . . . . 100 ALA CA . 6625 1 1013 . 1 1 100 100 ALA CB C 13 19.240 0.3 . 1 . . . . 100 ALA CB . 6625 1 1014 . 1 1 100 100 ALA N N 15 126.310 0.3 . 1 . . . . 100 ALA N . 6625 1 1015 . 1 1 101 101 GLN H H 1 7.836 0.03 . 1 . . . . 101 GLN HN . 6625 1 1016 . 1 1 101 101 GLN HA H 1 4.041 0.03 . 1 . . . . 101 GLN HA . 6625 1 1017 . 1 1 101 101 GLN HB2 H 1 1.789 0.03 . 2 . . . . 101 GLN HB1 . 6625 1 1018 . 1 1 101 101 GLN HB3 H 1 1.915 0.03 . 2 . . . . 101 GLN HB2 . 6625 1 1019 . 1 1 101 101 GLN HG2 H 1 2.210 0.03 . 2 . . . . 101 GLN HG1 . 6625 1 1020 . 1 1 101 101 GLN HG3 H 1 2.288 0.03 . 2 . . . . 101 GLN HG2 . 6625 1 1021 . 1 1 101 101 GLN HE21 H 1 6.753 0.03 . 2 . . . . 101 GLN HE21 . 6625 1 1022 . 1 1 101 101 GLN HE22 H 1 7.485 0.03 . 2 . . . . 101 GLN HE22 . 6625 1 1023 . 1 1 101 101 GLN C C 13 175.525 0.3 . 1 . . . . 101 GLN C . 6625 1 1024 . 1 1 101 101 GLN CA C 13 54.550 0.3 . 1 . . . . 101 GLN CA . 6625 1 1025 . 1 1 101 101 GLN CB C 13 26.340 0.3 . 1 . . . . 101 GLN CB . 6625 1 1026 . 1 1 101 101 GLN CG C 13 33.850 0.3 . 1 . . . . 101 GLN CG . 6625 1 1027 . 1 1 101 101 GLN N N 15 119.720 0.3 . 1 . . . . 101 GLN N . 6625 1 1028 . 1 1 101 101 GLN NE2 N 15 112.350 0.3 . 1 . . . . 101 GLN NE2 . 6625 1 1029 . 1 1 102 102 HIS H H 1 6.966 0.03 . 1 . . . . 102 HIS HN . 6625 1 1030 . 1 1 102 102 HIS HA H 1 4.066 0.03 . 1 . . . . 102 HIS HA . 6625 1 1031 . 1 1 102 102 HIS HB2 H 1 2.873 0.03 . 2 . . . . 102 HIS HB1 . 6625 1 1032 . 1 1 102 102 HIS HB3 H 1 2.622 0.03 . 2 . . . . 102 HIS HB2 . 6625 1 1033 . 1 1 102 102 HIS HD2 H 1 6.405 0.03 . 1 . . . . 102 HIS HD2 . 6625 1 1034 . 1 1 102 102 HIS HE1 H 1 7.588 0.03 . 1 . . . . 102 HIS HE1 . 6625 1 1035 . 1 1 102 102 HIS C C 13 176.539 0.3 . 1 . . . . 102 HIS C . 6625 1 1036 . 1 1 102 102 HIS CA C 13 58.290 0.3 . 1 . . . . 102 HIS CA . 6625 1 1037 . 1 1 102 102 HIS CB C 13 31.270 0.3 . 1 . . . . 102 HIS CB . 6625 1 1038 . 1 1 102 102 HIS CD2 C 13 116.920 0.3 . 1 . . . . 102 HIS CD2 . 6625 1 1039 . 1 1 102 102 HIS CE1 C 13 139.510 0.3 . 1 . . . . 102 HIS CE1 . 6625 1 1040 . 1 1 102 102 HIS N N 15 125.680 0.3 . 1 . . . . 102 HIS N . 6625 1 1041 . 1 1 103 103 ALA H H 1 8.252 0.03 . 1 . . . . 103 ALA HN . 6625 1 1042 . 1 1 103 103 ALA HA H 1 3.137 0.03 . 1 . . . . 103 ALA HA . 6625 1 1043 . 1 1 103 103 ALA HB1 H 1 0.914 0.03 . 1 . . . . 103 ALA HB1 . 6625 1 1044 . 1 1 103 103 ALA HB2 H 1 0.914 0.03 . 1 . . . . 103 ALA HB1 . 6625 1 1045 . 1 1 103 103 ALA HB3 H 1 0.914 0.03 . 1 . . . . 103 ALA HB1 . 6625 1 1046 . 1 1 103 103 ALA C C 13 180.842 0.3 . 1 . . . . 103 ALA C . 6625 1 1047 . 1 1 103 103 ALA CA C 13 54.970 0.3 . 1 . . . . 103 ALA CA . 6625 1 1048 . 1 1 103 103 ALA CB C 13 18.190 0.3 . 1 . . . . 103 ALA CB . 6625 1 1049 . 1 1 103 103 ALA N N 15 122.380 0.3 . 1 . . . . 103 ALA N . 6625 1 1050 . 1 1 104 104 ILE H H 1 7.394 0.03 . 1 . . . . 104 ILE HN . 6625 1 1051 . 1 1 104 104 ILE HA H 1 3.730 0.03 . 1 . . . . 104 ILE HA . 6625 1 1052 . 1 1 104 104 ILE HB H 1 1.944 0.03 . 1 . . . . 104 ILE HB . 6625 1 1053 . 1 1 104 104 ILE HG12 H 1 1.090 0.03 . 2 . . . . 104 ILE HG11 . 6625 1 1054 . 1 1 104 104 ILE HG13 H 1 1.467 0.03 . 2 . . . . 104 ILE HG12 . 6625 1 1055 . 1 1 104 104 ILE HG21 H 1 0.765 0.03 . 1 . . . . 104 ILE HG21 . 6625 1 1056 . 1 1 104 104 ILE HG22 H 1 0.765 0.03 . 1 . . . . 104 ILE HG21 . 6625 1 1057 . 1 1 104 104 ILE HG23 H 1 0.765 0.03 . 1 . . . . 104 ILE HG21 . 6625 1 1058 . 1 1 104 104 ILE HD11 H 1 0.763 0.03 . 1 . . . . 104 ILE HD11 . 6625 1 1059 . 1 1 104 104 ILE HD12 H 1 0.763 0.03 . 1 . . . . 104 ILE HD11 . 6625 1 1060 . 1 1 104 104 ILE HD13 H 1 0.763 0.03 . 1 . . . . 104 ILE HD11 . 6625 1 1061 . 1 1 104 104 ILE C C 13 178.428 0.3 . 1 . . . . 104 ILE C . 6625 1 1062 . 1 1 104 104 ILE CA C 13 64.090 0.3 . 1 . . . . 104 ILE CA . 6625 1 1063 . 1 1 104 104 ILE CB C 13 37.150 0.3 . 1 . . . . 104 ILE CB . 6625 1 1064 . 1 1 104 104 ILE CG1 C 13 28.100 0.3 . 1 . . . . 104 ILE CG1 . 6625 1 1065 . 1 1 104 104 ILE CG2 C 13 17.020 0.3 . 1 . . . . 104 ILE CG2 . 6625 1 1066 . 1 1 104 104 ILE CD1 C 13 12.610 0.3 . 1 . . . . 104 ILE CD1 . 6625 1 1067 . 1 1 104 104 ILE N N 15 119.620 0.3 . 1 . . . . 104 ILE N . 6625 1 1068 . 1 1 105 105 SER H H 1 7.093 0.03 . 1 . . . . 105 SER HN . 6625 1 1069 . 1 1 105 105 SER HA H 1 3.784 0.03 . 1 . . . . 105 SER HA . 6625 1 1070 . 1 1 105 105 SER HB2 H 1 3.467 0.03 . 2 . . . . 105 SER HB1 . 6625 1 1071 . 1 1 105 105 SER HB3 H 1 3.942 0.03 . 2 . . . . 105 SER HB2 . 6625 1 1072 . 1 1 105 105 SER C C 13 176.644 0.3 . 1 . . . . 105 SER C . 6625 1 1073 . 1 1 105 105 SER CA C 13 60.450 0.3 . 1 . . . . 105 SER CA . 6625 1 1074 . 1 1 105 105 SER CB C 13 61.530 0.3 . 1 . . . . 105 SER CB . 6625 1 1075 . 1 1 105 105 SER N N 15 114.830 0.3 . 1 . . . . 105 SER N . 6625 1 1076 . 1 1 106 106 THR H H 1 8.532 0.03 . 1 . . . . 106 THR HN . 6625 1 1077 . 1 1 106 106 THR HA H 1 3.542 0.03 . 1 . . . . 106 THR HA . 6625 1 1078 . 1 1 106 106 THR HB H 1 4.062 0.03 . 1 . . . . 106 THR HB . 6625 1 1079 . 1 1 106 106 THR HG21 H 1 1.177 0.03 . 1 . . . . 106 THR HG21 . 6625 1 1080 . 1 1 106 106 THR HG22 H 1 1.177 0.03 . 1 . . . . 106 THR HG21 . 6625 1 1081 . 1 1 106 106 THR HG23 H 1 1.177 0.03 . 1 . . . . 106 THR HG21 . 6625 1 1082 . 1 1 106 106 THR C C 13 175.560 0.3 . 1 . . . . 106 THR C . 6625 1 1083 . 1 1 106 106 THR CA C 13 67.290 0.3 . 1 . . . . 106 THR CA . 6625 1 1084 . 1 1 106 106 THR CB C 13 68.350 0.3 . 1 . . . . 106 THR CB . 6625 1 1085 . 1 1 106 106 THR CG2 C 13 22.530 0.3 . 1 . . . . 106 THR CG2 . 6625 1 1086 . 1 1 106 106 THR N N 15 114.810 0.3 . 1 . . . . 106 THR N . 6625 1 1087 . 1 1 107 107 GLU H H 1 7.293 0.03 . 1 . . . . 107 GLU HN . 6625 1 1088 . 1 1 107 107 GLU HA H 1 3.980 0.03 . 1 . . . . 107 GLU HA . 6625 1 1089 . 1 1 107 107 GLU HB2 H 1 2.196 0.03 . 2 . . . . 107 GLU HB2 . 6625 1 1090 . 1 1 107 107 GLU HG2 H 1 2.317 0.03 . 2 . . . . 107 GLU HG1 . 6625 1 1091 . 1 1 107 107 GLU HG3 H 1 2.427 0.03 . 2 . . . . 107 GLU HG2 . 6625 1 1092 . 1 1 107 107 GLU C C 13 179.700 0.3 . 1 . . . . 107 GLU C . 6625 1 1093 . 1 1 107 107 GLU CA C 13 59.910 0.3 . 1 . . . . 107 GLU CA . 6625 1 1094 . 1 1 107 107 GLU CB C 13 29.350 0.3 . 1 . . . . 107 GLU CB . 6625 1 1095 . 1 1 107 107 GLU CG C 13 36.100 0.3 . 1 . . . . 107 GLU CG . 6625 1 1096 . 1 1 107 107 GLU N N 15 122.930 0.3 . 1 . . . . 107 GLU N . 6625 1 1097 . 1 1 108 108 LYS H H 1 7.347 0.03 . 1 . . . . 108 LYS HN . 6625 1 1098 . 1 1 108 108 LYS HA H 1 4.137 0.03 . 1 . . . . 108 LYS HA . 6625 1 1099 . 1 1 108 108 LYS HB2 H 1 1.646 0.03 . 2 . . . . 108 LYS HB1 . 6625 1 1100 . 1 1 108 108 LYS HB3 H 1 1.884 0.03 . 2 . . . . 108 LYS HB2 . 6625 1 1101 . 1 1 108 108 LYS HG2 H 1 1.651 0.03 . 2 . . . . 108 LYS HG1 . 6625 1 1102 . 1 1 108 108 LYS HG3 H 1 1.382 0.03 . 2 . . . . 108 LYS HG2 . 6625 1 1103 . 1 1 108 108 LYS HD2 H 1 1.467 0.03 . 2 . . . . 108 LYS HD1 . 6625 1 1104 . 1 1 108 108 LYS HD3 H 1 1.633 0.03 . 2 . . . . 108 LYS HD2 . 6625 1 1105 . 1 1 108 108 LYS HE2 H 1 2.859 0.03 . 2 . . . . 108 LYS HE1 . 6625 1 1106 . 1 1 108 108 LYS HE3 H 1 3.022 0.03 . 2 . . . . 108 LYS HE2 . 6625 1 1107 . 1 1 108 108 LYS C C 13 179.436 0.3 . 1 . . . . 108 LYS C . 6625 1 1108 . 1 1 108 108 LYS CA C 13 58.050 0.3 . 1 . . . . 108 LYS CA . 6625 1 1109 . 1 1 108 108 LYS CB C 13 31.680 0.3 . 1 . . . . 108 LYS CB . 6625 1 1110 . 1 1 108 108 LYS CG C 13 25.020 0.3 . 1 . . . . 108 LYS CG . 6625 1 1111 . 1 1 108 108 LYS CD C 13 28.530 0.3 . 1 . . . . 108 LYS CD . 6625 1 1112 . 1 1 108 108 LYS CE C 13 42.520 0.3 . 1 . . . . 108 LYS CE . 6625 1 1113 . 1 1 108 108 LYS N N 15 116.980 0.3 . 1 . . . . 108 LYS N . 6625 1 1114 . 1 1 109 109 ILE H H 1 8.446 0.03 . 1 . . . . 109 ILE HN . 6625 1 1115 . 1 1 109 109 ILE HA H 1 3.512 0.03 . 1 . . . . 109 ILE HA . 6625 1 1116 . 1 1 109 109 ILE HB H 1 1.678 0.03 . 1 . . . . 109 ILE HB . 6625 1 1117 . 1 1 109 109 ILE HG12 H 1 1.825 0.03 . 2 . . . . 109 ILE HG11 . 6625 1 1118 . 1 1 109 109 ILE HG13 H 1 0.594 0.03 . 2 . . . . 109 ILE HG12 . 6625 1 1119 . 1 1 109 109 ILE HG21 H 1 0.770 0.03 . 1 . . . . 109 ILE HG21 . 6625 1 1120 . 1 1 109 109 ILE HG22 H 1 0.770 0.03 . 1 . . . . 109 ILE HG21 . 6625 1 1121 . 1 1 109 109 ILE HG23 H 1 0.770 0.03 . 1 . . . . 109 ILE HG21 . 6625 1 1122 . 1 1 109 109 ILE HD11 H 1 0.376 0.03 . 1 . . . . 109 ILE HD11 . 6625 1 1123 . 1 1 109 109 ILE HD12 H 1 0.376 0.03 . 1 . . . . 109 ILE HD11 . 6625 1 1124 . 1 1 109 109 ILE HD13 H 1 0.376 0.03 . 1 . . . . 109 ILE HD11 . 6625 1 1125 . 1 1 109 109 ILE C C 13 177.431 0.3 . 1 . . . . 109 ILE C . 6625 1 1126 . 1 1 109 109 ILE CA C 13 66.460 0.3 . 1 . . . . 109 ILE CA . 6625 1 1127 . 1 1 109 109 ILE CB C 13 38.550 0.3 . 1 . . . . 109 ILE CB . 6625 1 1128 . 1 1 109 109 ILE CG1 C 13 30.970 0.3 . 1 . . . . 109 ILE CG1 . 6625 1 1129 . 1 1 109 109 ILE CG2 C 13 20.260 0.3 . 1 . . . . 109 ILE CG2 . 6625 1 1130 . 1 1 109 109 ILE CD1 C 13 67.530 0.3 . 1 . . . . 109 ILE CD1 . 6625 1 1131 . 1 1 109 109 ILE N N 15 121.410 0.3 . 1 . . . . 109 ILE N . 6625 1 1132 . 1 1 110 110 LYS H H 1 8.841 0.03 . 1 . . . . 110 LYS HN . 6625 1 1133 . 1 1 110 110 LYS HA H 1 3.910 0.03 . 1 . . . . 110 LYS HA . 6625 1 1134 . 1 1 110 110 LYS HB2 H 1 1.800 0.03 . 2 . . . . 110 LYS HB1 . 6625 1 1135 . 1 1 110 110 LYS HB3 H 1 1.947 0.03 . 2 . . . . 110 LYS HB2 . 6625 1 1136 . 1 1 110 110 LYS HG2 H 1 1.551 0.03 . 2 . . . . 110 LYS HG1 . 6625 1 1137 . 1 1 110 110 LYS HG3 H 1 1.634 0.03 . 2 . . . . 110 LYS HG2 . 6625 1 1138 . 1 1 110 110 LYS HD2 H 1 1.664 0.03 . 2 . . . . 110 LYS HD1 . 6625 1 1139 . 1 1 110 110 LYS HD3 H 1 1.910 0.03 . 2 . . . . 110 LYS HD2 . 6625 1 1140 . 1 1 110 110 LYS HE2 H 1 3.048 0.03 . 2 . . . . 110 LYS HE1 . 6625 1 1141 . 1 1 110 110 LYS HE3 H 1 3.135 0.03 . 2 . . . . 110 LYS HE2 . 6625 1 1142 . 1 1 110 110 LYS C C 13 177.534 0.3 . 1 . . . . 110 LYS C . 6625 1 1143 . 1 1 110 110 LYS CA C 13 59.070 0.3 . 1 . . . . 110 LYS CA . 6625 1 1144 . 1 1 110 110 LYS CB C 13 32.600 0.3 . 1 . . . . 110 LYS CB . 6625 1 1145 . 1 1 110 110 LYS CG C 13 25.500 0.3 . 1 . . . . 110 LYS CG . 6625 1 1146 . 1 1 110 110 LYS CD C 13 29.570 0.3 . 1 . . . . 110 LYS CD . 6625 1 1147 . 1 1 110 110 LYS CE C 13 42.510 0.3 . 1 . . . . 110 LYS CE . 6625 1 1148 . 1 1 110 110 LYS N N 15 120.900 0.3 . 1 . . . . 110 LYS N . 6625 1 1149 . 1 1 111 111 ALA H H 1 6.930 0.03 . 1 . . . . 111 ALA HN . 6625 1 1150 . 1 1 111 111 ALA HA H 1 4.137 0.03 . 1 . . . . 111 ALA HA . 6625 1 1151 . 1 1 111 111 ALA HB1 H 1 1.508 0.03 . 1 . . . . 111 ALA HB1 . 6625 1 1152 . 1 1 111 111 ALA HB2 H 1 1.508 0.03 . 1 . . . . 111 ALA HB1 . 6625 1 1153 . 1 1 111 111 ALA HB3 H 1 1.508 0.03 . 1 . . . . 111 ALA HB1 . 6625 1 1154 . 1 1 111 111 ALA C C 13 178.953 0.3 . 1 . . . . 111 ALA C . 6625 1 1155 . 1 1 111 111 ALA CA C 13 54.130 0.3 . 1 . . . . 111 ALA CA . 6625 1 1156 . 1 1 111 111 ALA CB C 13 17.940 0.3 . 1 . . . . 111 ALA CB . 6625 1 1157 . 1 1 111 111 ALA N N 15 117.800 0.3 . 1 . . . . 111 ALA N . 6625 1 1158 . 1 1 112 112 LYS H H 1 7.128 0.03 . 1 . . . . 112 LYS HN . 6625 1 1159 . 1 1 112 112 LYS HA H 1 4.106 0.03 . 1 . . . . 112 LYS HA . 6625 1 1160 . 1 1 112 112 LYS HB2 H 1 1.621 0.03 . 2 . . . . 112 LYS HB1 . 6625 1 1161 . 1 1 112 112 LYS HB3 H 1 1.727 0.03 . 2 . . . . 112 LYS HB2 . 6625 1 1162 . 1 1 112 112 LYS HG2 H 1 0.681 0.03 . 2 . . . . 112 LYS HG2 . 6625 1 1163 . 1 1 112 112 LYS HD2 H 1 1.681 0.03 . 2 . . . . 112 LYS HD1 . 6625 1 1164 . 1 1 112 112 LYS HD3 H 1 1.411 0.03 . 2 . . . . 112 LYS HD2 . 6625 1 1165 . 1 1 112 112 LYS HE2 H 1 2.833 0.03 . 2 . . . . 112 LYS HE1 . 6625 1 1166 . 1 1 112 112 LYS HE3 H 1 2.930 0.03 . 2 . . . . 112 LYS HE2 . 6625 1 1167 . 1 1 112 112 LYS C C 13 175.053 0.3 . 1 . . . . 112 LYS C . 6625 1 1168 . 1 1 112 112 LYS CA C 13 56.500 0.3 . 1 . . . . 112 LYS CA . 6625 1 1169 . 1 1 112 112 LYS CB C 13 32.750 0.3 . 1 . . . . 112 LYS CB . 6625 1 1170 . 1 1 112 112 LYS CG C 13 25.270 0.3 . 1 . . . . 112 LYS CG . 6625 1 1171 . 1 1 112 112 LYS CD C 13 28.770 0.3 . 1 . . . . 112 LYS CD . 6625 1 1172 . 1 1 112 112 LYS CE C 13 42.680 0.3 . 1 . . . . 112 LYS CE . 6625 1 1173 . 1 1 112 112 LYS N N 15 118.310 0.3 . 1 . . . . 112 LYS N . 6625 1 1174 . 1 1 113 113 TYR H H 1 7.910 0.03 . 1 . . . . 113 TYR HN . 6625 1 1175 . 1 1 113 113 TYR HA H 1 4.280 0.03 . 1 . . . . 113 TYR HA . 6625 1 1176 . 1 1 113 113 TYR C C 13 173.645 0.3 . 1 . . . . 113 TYR C . 6625 1 1177 . 1 1 113 113 TYR CA C 13 54.680 0.3 . 1 . . . . 113 TYR CA . 6625 1 1178 . 1 1 113 113 TYR CB C 13 36.870 0.3 . 1 . . . . 113 TYR CB . 6625 1 1179 . 1 1 113 113 TYR N N 15 118.700 0.3 . 1 . . . . 113 TYR N . 6625 1 1180 . 1 1 114 114 PRO HA H 1 4.410 0.03 . 1 . . . . 114 PRO HA . 6625 1 1181 . 1 1 114 114 PRO HB2 H 1 1.704 0.03 . 2 . . . . 114 PRO HB1 . 6625 1 1182 . 1 1 114 114 PRO HB3 H 1 2.382 0.03 . 2 . . . . 114 PRO HB2 . 6625 1 1183 . 1 1 114 114 PRO HG2 H 1 2.050 0.03 . 2 . . . . 114 PRO HG2 . 6625 1 1184 . 1 1 114 114 PRO HD2 H 1 4.113 0.03 . 2 . . . . 114 PRO HD1 . 6625 1 1185 . 1 1 114 114 PRO HD3 H 1 3.588 0.03 . 2 . . . . 114 PRO HD2 . 6625 1 1186 . 1 1 114 114 PRO C C 13 177.222 0.3 . 1 . . . . 114 PRO C . 6625 1 1187 . 1 1 114 114 PRO CA C 13 63.200 0.3 . 1 . . . . 114 PRO CA . 6625 1 1188 . 1 1 114 114 PRO CB C 13 32.160 0.3 . 1 . . . . 114 PRO CB . 6625 1 1189 . 1 1 114 114 PRO CG C 13 27.630 0.3 . 1 . . . . 114 PRO CG . 6625 1 1190 . 1 1 114 114 PRO CD C 13 51.110 0.3 . 1 . . . . 114 PRO CD . 6625 1 1191 . 1 1 115 115 ASP H H 1 8.425 0.03 . 1 . . . . 115 ASP HN . 6625 1 1192 . 1 1 115 115 ASP CA C 13 55.890 0.3 . 1 . . . . 115 ASP CA . 6625 1 1193 . 1 1 115 115 ASP CB C 13 31.340 0.3 . 1 . . . . 115 ASP CB . 6625 1 1194 . 1 1 115 115 ASP N N 15 122.060 0.3 . 1 . . . . 115 ASP N . 6625 1 1195 . 1 1 117 117 GLU HA H 1 4.670 0.03 . 1 . . . . 117 GLU HA . 6625 1 1196 . 1 1 117 117 GLU HB2 H 1 2.020 0.03 . 2 . . . . 117 GLU HB1 . 6625 1 1197 . 1 1 117 117 GLU HB3 H 1 2.115 0.03 . 2 . . . . 117 GLU HB2 . 6625 1 1198 . 1 1 117 117 GLU HG2 H 1 2.200 0.03 . 2 . . . . 117 GLU HG1 . 6625 1 1199 . 1 1 117 117 GLU HG3 H 1 2.313 0.03 . 2 . . . . 117 GLU HG2 . 6625 1 1200 . 1 1 117 117 GLU C C 13 175.505 0.3 . 1 . . . . 117 GLU C . 6625 1 1201 . 1 1 117 117 GLU CA C 13 56.190 0.3 . 1 . . . . 117 GLU CA . 6625 1 1202 . 1 1 117 117 GLU CB C 13 30.630 0.3 . 1 . . . . 117 GLU CB . 6625 1 1203 . 1 1 117 117 GLU CG C 13 36.510 0.3 . 1 . . . . 117 GLU CG . 6625 1 1204 . 1 1 118 118 VAL H H 1 8.775 0.03 . 1 . . . . 118 VAL HN . 6625 1 1205 . 1 1 118 118 VAL HA H 1 5.514 0.03 . 1 . . . . 118 VAL HA . 6625 1 1206 . 1 1 118 118 VAL HB H 1 2.025 0.03 . 1 . . . . 118 VAL HB . 6625 1 1207 . 1 1 118 118 VAL HG11 H 1 0.854 0.03 . 2 . . . . 118 VAL HG11 . 6625 1 1208 . 1 1 118 118 VAL HG12 H 1 0.854 0.03 . 2 . . . . 118 VAL HG11 . 6625 1 1209 . 1 1 118 118 VAL HG13 H 1 0.854 0.03 . 2 . . . . 118 VAL HG11 . 6625 1 1210 . 1 1 118 118 VAL HG21 H 1 0.902 0.03 . 2 . . . . 118 VAL HG21 . 6625 1 1211 . 1 1 118 118 VAL HG22 H 1 0.902 0.03 . 2 . . . . 118 VAL HG21 . 6625 1 1212 . 1 1 118 118 VAL HG23 H 1 0.902 0.03 . 2 . . . . 118 VAL HG21 . 6625 1 1213 . 1 1 118 118 VAL C C 13 175.578 0.3 . 1 . . . . 118 VAL C . 6625 1 1214 . 1 1 118 118 VAL CA C 13 60.910 0.3 . 1 . . . . 118 VAL CA . 6625 1 1215 . 1 1 118 118 VAL CB C 13 32.530 0.3 . 1 . . . . 118 VAL CB . 6625 1 1216 . 1 1 118 118 VAL CG1 C 13 21.820 0.3 . 1 . . . . 118 VAL CG1 . 6625 1 1217 . 1 1 118 118 VAL CG2 C 13 22.260 0.3 . 1 . . . . 118 VAL CG2 . 6625 1 1218 . 1 1 118 118 VAL N N 15 130.380 0.3 . 1 . . . . 118 VAL N . 6625 1 1219 . 1 1 119 119 THR H H 1 9.178 0.03 . 1 . . . . 119 THR HN . 6625 1 1220 . 1 1 119 119 THR HA H 1 4.908 0.03 . 1 . . . . 119 THR HA . 6625 1 1221 . 1 1 119 119 THR HB H 1 4.544 0.03 . 1 . . . . 119 THR HB . 6625 1 1222 . 1 1 119 119 THR HG21 H 1 1.175 0.03 . 1 . . . . 119 THR HG21 . 6625 1 1223 . 1 1 119 119 THR HG22 H 1 1.175 0.03 . 1 . . . . 119 THR HG21 . 6625 1 1224 . 1 1 119 119 THR HG23 H 1 1.175 0.03 . 1 . . . . 119 THR HG21 . 6625 1 1225 . 1 1 119 119 THR C C 13 172.666 0.3 . 1 . . . . 119 THR C . 6625 1 1226 . 1 1 119 119 THR CA C 13 59.710 0.3 . 1 . . . . 119 THR CA . 6625 1 1227 . 1 1 119 119 THR CB C 13 72.780 0.3 . 1 . . . . 119 THR CB . 6625 1 1228 . 1 1 119 119 THR CG2 C 13 22.020 0.3 . 1 . . . . 119 THR CG2 . 6625 1 1229 . 1 1 119 119 THR N N 15 119.570 0.3 . 1 . . . . 119 THR N . 6625 1 1230 . 1 1 120 120 TRP H H 1 8.238 0.03 . 1 . . . . 120 TRP HN . 6625 1 1231 . 1 1 120 120 TRP HA H 1 5.890 0.03 . 1 . . . . 120 TRP HA . 6625 1 1232 . 1 1 120 120 TRP HB2 H 1 3.094 0.03 . 2 . . . . 120 TRP HB1 . 6625 1 1233 . 1 1 120 120 TRP HB3 H 1 3.136 0.03 . 2 . . . . 120 TRP HB2 . 6625 1 1234 . 1 1 120 120 TRP HD1 H 1 7.194 0.03 . 1 . . . . 120 TRP HD1 . 6625 1 1235 . 1 1 120 120 TRP HE1 H 1 10.407 0.03 . 1 . . . . 120 TRP HE1 . 6625 1 1236 . 1 1 120 120 TRP HE3 H 1 7.610 0.03 . 1 . . . . 120 TRP HE3 . 6625 1 1237 . 1 1 120 120 TRP HZ2 H 1 7.555 0.03 . 1 . . . . 120 TRP HZ2 . 6625 1 1238 . 1 1 120 120 TRP HZ3 H 1 7.314 0.03 . 1 . . . . 120 TRP HZ3 . 6625 1 1239 . 1 1 120 120 TRP HH2 H 1 7.290 0.03 . 1 . . . . 120 TRP HH2 . 6625 1 1240 . 1 1 120 120 TRP C C 13 175.333 0.3 . 1 . . . . 120 TRP C . 6625 1 1241 . 1 1 120 120 TRP CA C 13 54.990 0.3 . 1 . . . . 120 TRP CA . 6625 1 1242 . 1 1 120 120 TRP CB C 13 32.900 0.3 . 1 . . . . 120 TRP CB . 6625 1 1243 . 1 1 120 120 TRP CD1 C 13 127.608 0.3 . 1 . . . . 120 TRP CD1 . 6625 1 1244 . 1 1 120 120 TRP CE3 C 13 120.400 0.3 . 1 . . . . 120 TRP CE3 . 6625 1 1245 . 1 1 120 120 TRP CZ2 C 13 115.133 0.3 . 1 . . . . 120 TRP CZ2 . 6625 1 1246 . 1 1 120 120 TRP CZ3 C 13 120.600 0.3 . 1 . . . . 120 TRP CZ3 . 6625 1 1247 . 1 1 120 120 TRP CH2 C 13 124.210 0.3 . 1 . . . . 120 TRP CH2 . 6625 1 1248 . 1 1 120 120 TRP N N 15 114.420 0.3 . 1 . . . . 120 TRP N . 6625 1 1249 . 1 1 120 120 TRP NE1 N 15 130.560 0.3 . 1 . . . . 120 TRP NE1 . 6625 1 1250 . 1 1 121 121 ALA H H 1 8.890 0.03 . 1 . . . . 121 ALA HN . 6625 1 1251 . 1 1 121 121 ALA HA H 1 4.324 0.03 . 1 . . . . 121 ALA HA . 6625 1 1252 . 1 1 121 121 ALA HB1 H 1 1.602 0.03 . 1 . . . . 121 ALA HB1 . 6625 1 1253 . 1 1 121 121 ALA HB2 H 1 1.602 0.03 . 1 . . . . 121 ALA HB1 . 6625 1 1254 . 1 1 121 121 ALA HB3 H 1 1.602 0.03 . 1 . . . . 121 ALA HB1 . 6625 1 1255 . 1 1 121 121 ALA C C 13 176.137 0.3 . 1 . . . . 121 ALA C . 6625 1 1256 . 1 1 121 121 ALA CA C 13 51.930 0.3 . 1 . . . . 121 ALA CA . 6625 1 1257 . 1 1 121 121 ALA CB C 13 23.270 0.3 . 1 . . . . 121 ALA CB . 6625 1 1258 . 1 1 121 121 ALA N N 15 121.510 0.3 . 1 . . . . 121 ALA N . 6625 1 1259 . 1 1 122 122 ASN H H 1 8.914 0.03 . 1 . . . . 122 ASN HN . 6625 1 1260 . 1 1 122 122 ASN HA H 1 5.608 0.03 . 1 . . . . 122 ASN HA . 6625 1 1261 . 1 1 122 122 ASN HB2 H 1 2.946 0.03 . 2 . . . . 122 ASN HB1 . 6625 1 1262 . 1 1 122 122 ASN HB3 H 1 3.196 0.03 . 2 . . . . 122 ASN HB2 . 6625 1 1263 . 1 1 122 122 ASN HD21 H 1 7.062 0.03 . 2 . . . . 122 ASN HD21 . 6625 1 1264 . 1 1 122 122 ASN HD22 H 1 7.830 0.03 . 2 . . . . 122 ASN HD22 . 6625 1 1265 . 1 1 122 122 ASN C C 13 175.735 0.3 . 1 . . . . 122 ASN C . 6625 1 1266 . 1 1 122 122 ASN CA C 13 52.820 0.3 . 1 . . . . 122 ASN CA . 6625 1 1267 . 1 1 122 122 ASN CB C 13 38.690 0.3 . 1 . . . . 122 ASN CB . 6625 1 1268 . 1 1 122 122 ASN N N 15 118.550 0.3 . 1 . . . . 122 ASN N . 6625 1 1269 . 1 1 122 122 ASN ND2 N 15 112.180 0.3 . 1 . . . . 122 ASN ND2 . 6625 1 1270 . 1 1 123 123 ASP H H 1 7.948 0.03 . 1 . . . . 123 ASP HN . 6625 1 1271 . 1 1 123 123 ASP HA H 1 4.920 0.03 . 1 . . . . 123 ASP HA . 6625 1 1272 . 1 1 123 123 ASP HB2 H 1 2.729 0.03 . 2 . . . . 123 ASP HB2 . 6625 1 1273 . 1 1 123 123 ASP C C 13 175.805 0.3 . 1 . . . . 123 ASP C . 6625 1 1274 . 1 1 123 123 ASP CA C 13 53.780 0.3 . 1 . . . . 123 ASP CA . 6625 1 1275 . 1 1 123 123 ASP CB C 13 42.970 0.3 . 1 . . . . 123 ASP CB . 6625 1 1276 . 1 1 123 123 ASP N N 15 119.370 0.3 . 1 . . . . 123 ASP N . 6625 1 1277 . 1 1 124 124 GLY H H 1 8.308 0.03 . 1 . . . . 124 GLY HN . 6625 1 1278 . 1 1 124 124 GLY HA2 H 1 3.966 0.03 . 2 . . . . 124 GLY HA1 . 6625 1 1279 . 1 1 124 124 GLY HA3 H 1 4.200 0.03 . 2 . . . . 124 GLY HA2 . 6625 1 1280 . 1 1 124 124 GLY C C 13 172.391 0.3 . 1 . . . . 124 GLY C . 6625 1 1281 . 1 1 124 124 GLY CA C 13 45.510 0.3 . 1 . . . . 124 GLY CA . 6625 1 1282 . 1 1 124 124 GLY N N 15 129.390 0.3 . 1 . . . . 124 GLY N . 6625 1 1283 . 1 1 125 125 TYR H H 1 7.771 0.03 . 1 . . . . 125 TYR HN . 6625 1 1284 . 1 1 125 125 TYR HA H 1 4.330 0.03 . 1 . . . . 125 TYR HA . 6625 1 1285 . 1 1 125 125 TYR HB2 H 1 2.620 0.03 . 2 . . . . 125 TYR HB1 . 6625 1 1286 . 1 1 125 125 TYR HB3 H 1 3.085 0.03 . 2 . . . . 125 TYR HB2 . 6625 1 1287 . 1 1 125 125 TYR HD1 H 1 6.415 0.03 . 3 . . . . 125 TYR HD1 . 6625 1 1288 . 1 1 125 125 TYR HE1 H 1 6.684 0.03 . 3 . . . . 125 TYR HE1 . 6625 1 1289 . 1 1 125 125 TYR CA C 13 61.030 0.3 . 1 . . . . 125 TYR CA . 6625 1 1290 . 1 1 125 125 TYR CB C 13 40.530 0.3 . 1 . . . . 125 TYR CB . 6625 1 1291 . 1 1 125 125 TYR CD1 C 13 133.200 0.3 . 3 . . . . 125 TYR CD1 . 6625 1 1292 . 1 1 125 125 TYR CE1 C 13 117.900 0.3 . 3 . . . . 125 TYR CE1 . 6625 1 1293 . 1 1 125 125 TYR N N 15 121.660 0.3 . 1 . . . . 125 TYR N . 6625 1 stop_ save_