data_16472 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16472 _Entry.Title ; NMR Solution Structure of SH2 Domain of the Human Tensin Like C1 Domain Containing Phosphatase (TENC1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-27 _Entry.Accession_date 2009-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Lihong Chen . . . 16472 2 Rui Feng . . . 16472 3 Changdong Liu . . . 16472 4 Guang Zhu . . . 16472 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16472 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 16472 'SH2 domain' . 16472 'solution structure' . 16472 TENC1 . 16472 tensin2 . 16472 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16472 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 16472 '15N chemical shifts' 103 16472 '1H chemical shifts' 774 16472 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 3 . . 2012-03-15 2009-08-27 update BMRB 'update entry citation' 16472 2 . . 2011-05-19 2009-08-27 update BMRB 'update entry citation' 16472 1 . . 2010-08-26 2009-08-27 original author 'original release' 16472 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KNO 'BMRB Entry Tracking System' 16472 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16472 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21461930 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C chemical shift assignments of the SH2 domain of human tensin2 (TENC1).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _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 211 _Citation.Page_last 214 _Citation.Year 2011 _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 Lihong Chen . . . 16472 1 2 Changdong Liu . . . 16472 1 3 Feng Rui . . . 16472 1 4 Guang Zhu . . . 16472 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16472 _Assembly.ID 1 _Assembly.Name TENC1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'SH2 Domain' 1 $entity A . yes native no no . . . 16472 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16472 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH2 Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSGLVPRGSDTSK FWYKPHLSRDQAIALLKDKD PGAFLIRDSHSFQGAYGLAL KVATPPPSAQPWKGDPVEQL VRHFLIETGPKGVKIKGCPS EPYFGSLSALVSQHSISPIS LPCCLRIPSKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-16 represent a non-native affinity tag. This tag comes from the expression vector. Residues 17-131 represent the SH2 domain of TENC1.' _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Src Homolog 2 domain of TENC1, 1135-1249' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14402.661 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 17314 . Protein_Domain . . . . . 87.02 123 100.00 100.00 7.32e-75 . . . . 16472 1 2 no PDB 2KNO . "Nmr Solution Structure Of Sh2 Domain Of The Human Tensin Like C1 Domain Containing Phosphatase (Tenc1)" . . . . . 100.00 131 100.00 100.00 1.68e-88 . . . . 16472 1 3 no PDB 2L6K . "Solution Structure Of A Nonphosphorylated Peptide Recognizing Domain" . . . . . 87.02 123 100.00 100.00 7.32e-75 . . . . 16472 1 4 no DBJ BAA83027 . "KIAA1075 protein [Homo sapiens]" . . . . . 87.79 1409 99.13 99.13 1.92e-67 . . . . 16472 1 5 no DBJ BAG09960 . "tensin-like C1 domain-containing phosphatase [synthetic construct]" . . . . . 87.79 1409 99.13 99.13 1.92e-67 . . . . 16472 1 6 no EMBL CAB70815 . "hypothetical protein [Homo sapiens]" . . . . . 87.79 649 100.00 100.00 1.43e-71 . . . . 16472 1 7 no EMBL CAH56176 . "hypothetical protein [Homo sapiens]" . . . . . 87.79 1398 99.13 99.13 2.01e-67 . . . . 16472 1 8 no GB AAH25818 . "Tenc1 protein, partial [Mus musculus]" . . . . . 87.79 655 98.26 99.13 1.53e-70 . . . . 16472 1 9 no GB AAH42190 . "Tensin like C1 domain-containing phosphatase [Mus musculus]" . . . . . 87.79 1400 98.26 99.13 4.65e-68 . . . . 16472 1 10 no GB AAH54099 . "TENC1 protein, partial [Homo sapiens]" . . . . . 87.79 949 99.13 99.13 7.19e-69 . . . . 16472 1 11 no GB AAI10855 . "TENC1 protein, partial [Homo sapiens]" . . . . . 87.79 1291 100.00 100.00 7.16e-69 . . . . 16472 1 12 no GB AAI29829 . "TENC1 protein [Homo sapiens]" . . . . . 87.79 1285 100.00 100.00 7.00e-69 . . . . 16472 1 13 no REF NP_056134 . "tensin-2 isoform 1 [Homo sapiens]" . . . . . 87.79 1419 100.00 100.00 8.31e-69 . . . . 16472 1 14 no REF NP_705761 . "tensin-2 [Mus musculus]" . . . . . 87.79 1400 98.26 99.13 4.65e-68 . . . . 16472 1 15 no REF NP_736610 . "tensin-2 isoform 2 [Homo sapiens]" . . . . . 87.79 1409 100.00 100.00 8.21e-69 . . . . 16472 1 16 no REF NP_938072 . "tensin-2 isoform 3 [Homo sapiens]" . . . . . 87.79 1285 100.00 100.00 7.00e-69 . . . . 16472 1 17 no REF XP_001102202 . "PREDICTED: tensin-like C1 domain-containing phosphatase isoform 3 [Macaca mulatta]" . . . . . 87.79 1398 98.26 99.13 1.90e-67 . . . . 16472 1 18 no SP Q63HR2 . "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" . . . . . 87.79 1409 100.00 100.00 8.21e-69 . . . . 16472 1 19 no SP Q8CGB6 . "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" . . . . . 87.79 1400 98.26 99.13 4.65e-68 . . . . 16472 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 . 16472 1 2 . HIS . 16472 1 3 . HIS . 16472 1 4 . HIS . 16472 1 5 . HIS . 16472 1 6 . HIS . 16472 1 7 . HIS . 16472 1 8 . SER . 16472 1 9 . SER . 16472 1 10 . GLY . 16472 1 11 . LEU . 16472 1 12 . VAL . 16472 1 13 . PRO . 16472 1 14 . ARG . 16472 1 15 . GLY . 16472 1 16 . SER . 16472 1 17 . ASP . 16472 1 18 . THR . 16472 1 19 . SER . 16472 1 20 . LYS . 16472 1 21 . PHE . 16472 1 22 . TRP . 16472 1 23 . TYR . 16472 1 24 . LYS . 16472 1 25 . PRO . 16472 1 26 . HIS . 16472 1 27 . LEU . 16472 1 28 . SER . 16472 1 29 . ARG . 16472 1 30 . ASP . 16472 1 31 . GLN . 16472 1 32 . ALA . 16472 1 33 . ILE . 16472 1 34 . ALA . 16472 1 35 . LEU . 16472 1 36 . LEU . 16472 1 37 . LYS . 16472 1 38 . ASP . 16472 1 39 . LYS . 16472 1 40 . ASP . 16472 1 41 . PRO . 16472 1 42 . GLY . 16472 1 43 . ALA . 16472 1 44 . PHE . 16472 1 45 . LEU . 16472 1 46 . ILE . 16472 1 47 . ARG . 16472 1 48 . ASP . 16472 1 49 . SER . 16472 1 50 . HIS . 16472 1 51 . SER . 16472 1 52 . PHE . 16472 1 53 . GLN . 16472 1 54 . GLY . 16472 1 55 . ALA . 16472 1 56 . TYR . 16472 1 57 . GLY . 16472 1 58 . LEU . 16472 1 59 . ALA . 16472 1 60 . LEU . 16472 1 61 . LYS . 16472 1 62 . VAL . 16472 1 63 . ALA . 16472 1 64 . THR . 16472 1 65 . PRO . 16472 1 66 . PRO . 16472 1 67 . PRO . 16472 1 68 . SER . 16472 1 69 . ALA . 16472 1 70 . GLN . 16472 1 71 . PRO . 16472 1 72 . TRP . 16472 1 73 . LYS . 16472 1 74 . GLY . 16472 1 75 . ASP . 16472 1 76 . PRO . 16472 1 77 . VAL . 16472 1 78 . GLU . 16472 1 79 . GLN . 16472 1 80 . LEU . 16472 1 81 . VAL . 16472 1 82 . ARG . 16472 1 83 . HIS . 16472 1 84 . PHE . 16472 1 85 . LEU . 16472 1 86 . ILE . 16472 1 87 . GLU . 16472 1 88 . THR . 16472 1 89 . GLY . 16472 1 90 . PRO . 16472 1 91 . LYS . 16472 1 92 . GLY . 16472 1 93 . VAL . 16472 1 94 . LYS . 16472 1 95 . ILE . 16472 1 96 . LYS . 16472 1 97 . GLY . 16472 1 98 . CYS . 16472 1 99 . PRO . 16472 1 100 . SER . 16472 1 101 . GLU . 16472 1 102 . PRO . 16472 1 103 . TYR . 16472 1 104 . PHE . 16472 1 105 . GLY . 16472 1 106 . SER . 16472 1 107 . LEU . 16472 1 108 . SER . 16472 1 109 . ALA . 16472 1 110 . LEU . 16472 1 111 . VAL . 16472 1 112 . SER . 16472 1 113 . GLN . 16472 1 114 . HIS . 16472 1 115 . SER . 16472 1 116 . ILE . 16472 1 117 . SER . 16472 1 118 . PRO . 16472 1 119 . ILE . 16472 1 120 . SER . 16472 1 121 . LEU . 16472 1 122 . PRO . 16472 1 123 . CYS . 16472 1 124 . CYS . 16472 1 125 . LEU . 16472 1 126 . ARG . 16472 1 127 . ILE . 16472 1 128 . PRO . 16472 1 129 . SER . 16472 1 130 . LYS . 16472 1 131 . ASP . 16472 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 16472 1 . HIS 2 2 16472 1 . HIS 3 3 16472 1 . HIS 4 4 16472 1 . HIS 5 5 16472 1 . HIS 6 6 16472 1 . HIS 7 7 16472 1 . SER 8 8 16472 1 . SER 9 9 16472 1 . GLY 10 10 16472 1 . LEU 11 11 16472 1 . VAL 12 12 16472 1 . PRO 13 13 16472 1 . ARG 14 14 16472 1 . GLY 15 15 16472 1 . SER 16 16 16472 1 . ASP 17 17 16472 1 . THR 18 18 16472 1 . SER 19 19 16472 1 . LYS 20 20 16472 1 . PHE 21 21 16472 1 . TRP 22 22 16472 1 . TYR 23 23 16472 1 . LYS 24 24 16472 1 . PRO 25 25 16472 1 . HIS 26 26 16472 1 . LEU 27 27 16472 1 . SER 28 28 16472 1 . ARG 29 29 16472 1 . ASP 30 30 16472 1 . GLN 31 31 16472 1 . ALA 32 32 16472 1 . ILE 33 33 16472 1 . ALA 34 34 16472 1 . LEU 35 35 16472 1 . LEU 36 36 16472 1 . LYS 37 37 16472 1 . ASP 38 38 16472 1 . LYS 39 39 16472 1 . ASP 40 40 16472 1 . PRO 41 41 16472 1 . GLY 42 42 16472 1 . ALA 43 43 16472 1 . PHE 44 44 16472 1 . LEU 45 45 16472 1 . ILE 46 46 16472 1 . ARG 47 47 16472 1 . ASP 48 48 16472 1 . SER 49 49 16472 1 . HIS 50 50 16472 1 . SER 51 51 16472 1 . PHE 52 52 16472 1 . GLN 53 53 16472 1 . GLY 54 54 16472 1 . ALA 55 55 16472 1 . TYR 56 56 16472 1 . GLY 57 57 16472 1 . LEU 58 58 16472 1 . ALA 59 59 16472 1 . LEU 60 60 16472 1 . LYS 61 61 16472 1 . VAL 62 62 16472 1 . ALA 63 63 16472 1 . THR 64 64 16472 1 . PRO 65 65 16472 1 . PRO 66 66 16472 1 . PRO 67 67 16472 1 . SER 68 68 16472 1 . ALA 69 69 16472 1 . GLN 70 70 16472 1 . PRO 71 71 16472 1 . TRP 72 72 16472 1 . LYS 73 73 16472 1 . GLY 74 74 16472 1 . ASP 75 75 16472 1 . PRO 76 76 16472 1 . VAL 77 77 16472 1 . GLU 78 78 16472 1 . GLN 79 79 16472 1 . LEU 80 80 16472 1 . VAL 81 81 16472 1 . ARG 82 82 16472 1 . HIS 83 83 16472 1 . PHE 84 84 16472 1 . LEU 85 85 16472 1 . ILE 86 86 16472 1 . GLU 87 87 16472 1 . THR 88 88 16472 1 . GLY 89 89 16472 1 . PRO 90 90 16472 1 . LYS 91 91 16472 1 . GLY 92 92 16472 1 . VAL 93 93 16472 1 . LYS 94 94 16472 1 . ILE 95 95 16472 1 . LYS 96 96 16472 1 . GLY 97 97 16472 1 . CYS 98 98 16472 1 . PRO 99 99 16472 1 . SER 100 100 16472 1 . GLU 101 101 16472 1 . PRO 102 102 16472 1 . TYR 103 103 16472 1 . PHE 104 104 16472 1 . GLY 105 105 16472 1 . SER 106 106 16472 1 . LEU 107 107 16472 1 . SER 108 108 16472 1 . ALA 109 109 16472 1 . LEU 110 110 16472 1 . VAL 111 111 16472 1 . SER 112 112 16472 1 . GLN 113 113 16472 1 . HIS 114 114 16472 1 . SER 115 115 16472 1 . ILE 116 116 16472 1 . SER 117 117 16472 1 . PRO 118 118 16472 1 . ILE 119 119 16472 1 . SER 120 120 16472 1 . LEU 121 121 16472 1 . PRO 122 122 16472 1 . CYS 123 123 16472 1 . CYS 124 124 16472 1 . LEU 125 125 16472 1 . ARG 126 126 16472 1 . ILE 127 127 16472 1 . PRO 128 128 16472 1 . SER 129 129 16472 1 . LYS 130 130 16472 1 . ASP 131 131 16472 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 16472 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'tensin like C1 domain containing phosphatase' . 'tensin2, tenc1' . . 16472 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 16472 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 16472 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16472 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 SH2 '[U-100% 13C]' . . 1 $entity . . 1 . . mM . . . . 16472 1 2 'sodium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16472 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16472 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 SH2 '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 16472 2 2 'sodium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16472 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16472 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16472 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 SH2 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 16472 3 2 'sodium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16472 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16472 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16472 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 SH2 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 16472 4 2 'sodium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16472 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16472 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16472 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16472 1 pH 5.5 . pH 16472 1 pressure 1 . atm 16472 1 temperature 298 . K 16472 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16472 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16472 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16472 1 'structure solution' 16472 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16472 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16472 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16472 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16472 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16472 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16472 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16472 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16472 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16472 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16472 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16472 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16472 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 16472 1 2 spectrometer_2 Varian INOVA . 500 . . . 16472 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16472 _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 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 4 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16472 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16472 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16472 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16472 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16472 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16472 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . . 16472 1 5 '3D HNCACB' . . . 16472 1 7 '3D HCCH-COSY' . . . 16472 1 8 '3D HCCH-TOCSY' . . . 16472 1 9 '2D 1H-15N HSQC' . . . 16472 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 14 14 ARG HB2 H 1 1.872 0.020 . 2 . . . . 14 ARG HB2 . 16472 1 2 . 1 1 14 14 ARG HG3 H 1 1.696 0.020 . 2 . . . . 14 ARG HG3 . 16472 1 3 . 1 1 15 15 GLY H H 1 8.553 0.020 . 1 . . . . 15 GLY H . 16472 1 4 . 1 1 15 15 GLY HA2 H 1 4.008 0.020 . 2 . . . . 15 GLY HA2 . 16472 1 5 . 1 1 15 15 GLY HA3 H 1 4.008 0.020 . 2 . . . . 15 GLY HA3 . 16472 1 6 . 1 1 15 15 GLY CA C 13 45.378 0.400 . 1 . . . . 15 GLY CA . 16472 1 7 . 1 1 15 15 GLY N N 15 110.573 0.400 . 1 . . . . 15 GLY N . 16472 1 8 . 1 1 16 16 SER H H 1 8.224 0.020 . 1 . . . . 16 SER H . 16472 1 9 . 1 1 16 16 SER HA H 1 4.479 0.020 . 1 . . . . 16 SER HA . 16472 1 10 . 1 1 16 16 SER HB2 H 1 3.900 0.020 . 2 . . . . 16 SER HB2 . 16472 1 11 . 1 1 16 16 SER HB3 H 1 3.861 0.020 . 2 . . . . 16 SER HB3 . 16472 1 12 . 1 1 16 16 SER CA C 13 58.504 0.400 . 1 . . . . 16 SER CA . 16472 1 13 . 1 1 16 16 SER CB C 13 63.835 0.400 . 1 . . . . 16 SER CB . 16472 1 14 . 1 1 16 16 SER N N 15 115.437 0.400 . 1 . . . . 16 SER N . 16472 1 15 . 1 1 17 17 ASP H H 1 8.470 0.020 . 1 . . . . 17 ASP H . 16472 1 16 . 1 1 17 17 ASP HA H 1 4.764 0.020 . 1 . . . . 17 ASP HA . 16472 1 17 . 1 1 17 17 ASP HB2 H 1 2.753 0.020 . 2 . . . . 17 ASP HB2 . 16472 1 18 . 1 1 17 17 ASP HB3 H 1 2.749 0.020 . 2 . . . . 17 ASP HB3 . 16472 1 19 . 1 1 17 17 ASP CB C 13 41.124 0.400 . 1 . . . . 17 ASP CB . 16472 1 20 . 1 1 17 17 ASP N N 15 122.317 0.400 . 1 . . . . 17 ASP N . 16472 1 21 . 1 1 18 18 THR H H 1 8.371 0.020 . 1 . . . . 18 THR H . 16472 1 22 . 1 1 18 18 THR HA H 1 4.306 0.020 . 1 . . . . 18 THR HA . 16472 1 23 . 1 1 18 18 THR HB H 1 4.616 0.020 . 1 . . . . 18 THR HB . 16472 1 24 . 1 1 18 18 THR HG21 H 1 1.290 0.020 . 1 . . . . 18 THR HG2 . 16472 1 25 . 1 1 18 18 THR HG22 H 1 1.290 0.020 . 1 . . . . 18 THR HG2 . 16472 1 26 . 1 1 18 18 THR HG23 H 1 1.290 0.020 . 1 . . . . 18 THR HG2 . 16472 1 27 . 1 1 18 18 THR CA C 13 61.909 0.400 . 1 . . . . 18 THR CA . 16472 1 28 . 1 1 18 18 THR CB C 13 69.588 0.400 . 1 . . . . 18 THR CB . 16472 1 29 . 1 1 18 18 THR CG2 C 13 21.884 0.400 . 1 . . . . 18 THR CG2 . 16472 1 30 . 1 1 18 18 THR N N 15 113.838 0.400 . 1 . . . . 18 THR N . 16472 1 31 . 1 1 19 19 SER H H 1 8.054 0.020 . 1 . . . . 19 SER H . 16472 1 32 . 1 1 19 19 SER HA H 1 2.917 0.020 . 1 . . . . 19 SER HA . 16472 1 33 . 1 1 19 19 SER HB2 H 1 3.502 0.020 . 2 . . . . 19 SER HB2 . 16472 1 34 . 1 1 19 19 SER HB3 H 1 3.288 0.020 . 2 . . . . 19 SER HB3 . 16472 1 35 . 1 1 19 19 SER CA C 13 59.882 0.400 . 1 . . . . 19 SER CA . 16472 1 36 . 1 1 19 19 SER CB C 13 62.810 0.400 . 1 . . . . 19 SER CB . 16472 1 37 . 1 1 19 19 SER N N 15 118.326 0.400 . 1 . . . . 19 SER N . 16472 1 38 . 1 1 20 20 LYS H H 1 7.811 0.020 . 1 . . . . 20 LYS H . 16472 1 39 . 1 1 20 20 LYS HA H 1 4.016 0.020 . 1 . . . . 20 LYS HA . 16472 1 40 . 1 1 20 20 LYS HB2 H 1 1.319 0.020 . 2 . . . . 20 LYS HB2 . 16472 1 41 . 1 1 20 20 LYS HB3 H 1 1.115 0.020 . 2 . . . . 20 LYS HB3 . 16472 1 42 . 1 1 20 20 LYS HD2 H 1 1.425 0.020 . 2 . . . . 20 LYS HD2 . 16472 1 43 . 1 1 20 20 LYS HD3 H 1 1.425 0.020 . 2 . . . . 20 LYS HD3 . 16472 1 44 . 1 1 20 20 LYS HE2 H 1 2.786 0.020 . 2 . . . . 20 LYS HE2 . 16472 1 45 . 1 1 20 20 LYS HE3 H 1 2.786 0.020 . 2 . . . . 20 LYS HE3 . 16472 1 46 . 1 1 20 20 LYS HG2 H 1 0.951 0.020 . 2 . . . . 20 LYS HG2 . 16472 1 47 . 1 1 20 20 LYS HG3 H 1 0.735 0.020 . 2 . . . . 20 LYS HG3 . 16472 1 48 . 1 1 20 20 LYS CA C 13 56.578 0.400 . 1 . . . . 20 LYS CA . 16472 1 49 . 1 1 20 20 LYS CB C 13 31.418 0.400 . 1 . . . . 20 LYS CB . 16472 1 50 . 1 1 20 20 LYS CD C 13 28.859 0.400 . 1 . . . . 20 LYS CD . 16472 1 51 . 1 1 20 20 LYS CE C 13 41.843 0.400 . 1 . . . . 20 LYS CE . 16472 1 52 . 1 1 20 20 LYS CG C 13 23.783 0.400 . 1 . . . . 20 LYS CG . 16472 1 53 . 1 1 20 20 LYS N N 15 120.919 0.400 . 1 . . . . 20 LYS N . 16472 1 54 . 1 1 21 21 PHE H H 1 7.796 0.020 . 1 . . . . 21 PHE H . 16472 1 55 . 1 1 21 21 PHE HA H 1 4.482 0.020 . 1 . . . . 21 PHE HA . 16472 1 56 . 1 1 21 21 PHE HB2 H 1 3.274 0.020 . 2 . . . . 21 PHE HB2 . 16472 1 57 . 1 1 21 21 PHE HB3 H 1 3.069 0.020 . 2 . . . . 21 PHE HB3 . 16472 1 58 . 1 1 21 21 PHE HD1 H 1 7.284 0.020 . 1 . . . . 21 PHE HD1 . 16472 1 59 . 1 1 21 21 PHE HD2 H 1 7.284 0.020 . 1 . . . . 21 PHE HD2 . 16472 1 60 . 1 1 21 21 PHE HE1 H 1 7.365 0.020 . 1 . . . . 21 PHE HE1 . 16472 1 61 . 1 1 21 21 PHE HE2 H 1 7.365 0.020 . 1 . . . . 21 PHE HE2 . 16472 1 62 . 1 1 21 21 PHE CA C 13 58.825 0.400 . 1 . . . . 21 PHE CA . 16472 1 63 . 1 1 21 21 PHE CB C 13 39.030 0.400 . 1 . . . . 21 PHE CB . 16472 1 64 . 1 1 21 21 PHE N N 15 117.442 0.400 . 1 . . . . 21 PHE N . 16472 1 65 . 1 1 22 22 TRP H H 1 6.450 0.020 . 1 . . . . 22 TRP H . 16472 1 66 . 1 1 22 22 TRP HA H 1 4.673 0.020 . 1 . . . . 22 TRP HA . 16472 1 67 . 1 1 22 22 TRP HB2 H 1 3.089 0.020 . 2 . . . . 22 TRP HB2 . 16472 1 68 . 1 1 22 22 TRP HB3 H 1 2.498 0.020 . 2 . . . . 22 TRP HB3 . 16472 1 69 . 1 1 22 22 TRP HD1 H 1 7.014 0.020 . 1 . . . . 22 TRP HD1 . 16472 1 70 . 1 1 22 22 TRP HE1 H 1 10.584 0.020 . 1 . . . . 22 TRP HE1 . 16472 1 71 . 1 1 22 22 TRP HE3 H 1 7.321 0.020 . 1 . . . . 22 TRP HE3 . 16472 1 72 . 1 1 22 22 TRP HH2 H 1 6.599 0.020 . 1 . . . . 22 TRP HH2 . 16472 1 73 . 1 1 22 22 TRP HZ2 H 1 7.421 0.020 . 1 . . . . 22 TRP HZ2 . 16472 1 74 . 1 1 22 22 TRP HZ3 H 1 6.677 0.020 . 1 . . . . 22 TRP HZ3 . 16472 1 75 . 1 1 22 22 TRP CA C 13 55.333 0.400 . 1 . . . . 22 TRP CA . 16472 1 76 . 1 1 22 22 TRP CB C 13 31.804 0.400 . 1 . . . . 22 TRP CB . 16472 1 77 . 1 1 22 22 TRP N N 15 112.788 0.400 . 1 . . . . 22 TRP N . 16472 1 78 . 1 1 22 22 TRP NE1 N 15 131.105 0.400 . 1 . . . . 22 TRP NE1 . 16472 1 79 . 1 1 23 23 TYR H H 1 7.936 0.020 . 1 . . . . 23 TYR H . 16472 1 80 . 1 1 23 23 TYR HA H 1 5.472 0.020 . 1 . . . . 23 TYR HA . 16472 1 81 . 1 1 23 23 TYR HB2 H 1 2.622 0.020 . 2 . . . . 23 TYR HB2 . 16472 1 82 . 1 1 23 23 TYR HB3 H 1 2.382 0.020 . 2 . . . . 23 TYR HB3 . 16472 1 83 . 1 1 23 23 TYR HD1 H 1 6.956 0.020 . 1 . . . . 23 TYR HD1 . 16472 1 84 . 1 1 23 23 TYR HD2 H 1 6.956 0.020 . 1 . . . . 23 TYR HD2 . 16472 1 85 . 1 1 23 23 TYR HE1 H 1 6.772 0.020 . 1 . . . . 23 TYR HE1 . 16472 1 86 . 1 1 23 23 TYR HE2 H 1 6.772 0.020 . 1 . . . . 23 TYR HE2 . 16472 1 87 . 1 1 23 23 TYR CA C 13 55.361 0.400 . 1 . . . . 23 TYR CA . 16472 1 88 . 1 1 23 23 TYR CB C 13 36.263 0.400 . 1 . . . . 23 TYR CB . 16472 1 89 . 1 1 23 23 TYR N N 15 123.900 0.400 . 1 . . . . 23 TYR N . 16472 1 90 . 1 1 24 24 LYS H H 1 8.677 0.020 . 1 . . . . 24 LYS H . 16472 1 91 . 1 1 24 24 LYS HA H 1 4.699 0.020 . 1 . . . . 24 LYS HA . 16472 1 92 . 1 1 24 24 LYS HB2 H 1 1.725 0.020 . 2 . . . . 24 LYS HB2 . 16472 1 93 . 1 1 24 24 LYS HB3 H 1 1.612 0.020 . 2 . . . . 24 LYS HB3 . 16472 1 94 . 1 1 24 24 LYS HD2 H 1 1.717 0.020 . 2 . . . . 24 LYS HD2 . 16472 1 95 . 1 1 24 24 LYS HD3 H 1 1.531 0.020 . 2 . . . . 24 LYS HD3 . 16472 1 96 . 1 1 24 24 LYS HE2 H 1 2.970 0.020 . 2 . . . . 24 LYS HE2 . 16472 1 97 . 1 1 24 24 LYS HE3 H 1 2.860 0.020 . 2 . . . . 24 LYS HE3 . 16472 1 98 . 1 1 24 24 LYS HG2 H 1 1.247 0.020 . 2 . . . . 24 LYS HG2 . 16472 1 99 . 1 1 24 24 LYS HG3 H 1 1.247 0.020 . 2 . . . . 24 LYS HG3 . 16472 1 100 . 1 1 24 24 LYS CB C 13 33.231 0.400 . 1 . . . . 24 LYS CB . 16472 1 101 . 1 1 24 24 LYS CD C 13 29.154 0.400 . 1 . . . . 24 LYS CD . 16472 1 102 . 1 1 24 24 LYS CE C 13 42.401 0.400 . 1 . . . . 24 LYS CE . 16472 1 103 . 1 1 24 24 LYS CG C 13 24.491 0.400 . 1 . . . . 24 LYS CG . 16472 1 104 . 1 1 24 24 LYS N N 15 128.775 0.400 . 1 . . . . 24 LYS N . 16472 1 105 . 1 1 25 25 PRO HA H 1 3.849 0.020 . 1 . . . . 25 PRO HA . 16472 1 106 . 1 1 25 25 PRO HB2 H 1 2.097 0.020 . 2 . . . . 25 PRO HB2 . 16472 1 107 . 1 1 25 25 PRO HB3 H 1 1.312 0.020 . 2 . . . . 25 PRO HB3 . 16472 1 108 . 1 1 25 25 PRO HD2 H 1 3.347 0.020 . 2 . . . . 25 PRO HD2 . 16472 1 109 . 1 1 25 25 PRO HD3 H 1 1.755 0.020 . 2 . . . . 25 PRO HD3 . 16472 1 110 . 1 1 25 25 PRO HG2 H 1 1.375 0.020 . 2 . . . . 25 PRO HG2 . 16472 1 111 . 1 1 25 25 PRO HG3 H 1 1.329 0.020 . 2 . . . . 25 PRO HG3 . 16472 1 112 . 1 1 25 25 PRO CA C 13 64.305 0.400 . 1 . . . . 25 PRO CA . 16472 1 113 . 1 1 25 25 PRO CB C 13 32.129 0.400 . 1 . . . . 25 PRO CB . 16472 1 114 . 1 1 25 25 PRO CD C 13 49.791 0.400 . 1 . . . . 25 PRO CD . 16472 1 115 . 1 1 25 25 PRO CG C 13 26.491 0.400 . 1 . . . . 25 PRO CG . 16472 1 116 . 1 1 26 26 HIS H H 1 8.429 0.020 . 1 . . . . 26 HIS H . 16472 1 117 . 1 1 26 26 HIS HA H 1 4.823 0.020 . 1 . . . . 26 HIS HA . 16472 1 118 . 1 1 26 26 HIS HB2 H 1 3.431 0.020 . 2 . . . . 26 HIS HB2 . 16472 1 119 . 1 1 26 26 HIS HB3 H 1 3.133 0.020 . 2 . . . . 26 HIS HB3 . 16472 1 120 . 1 1 26 26 HIS CA C 13 54.774 0.400 . 1 . . . . 26 HIS CA . 16472 1 121 . 1 1 26 26 HIS CB C 13 28.672 0.400 . 1 . . . . 26 HIS CB . 16472 1 122 . 1 1 26 26 HIS N N 15 110.236 0.400 . 1 . . . . 26 HIS N . 16472 1 123 . 1 1 27 27 LEU H H 1 7.263 0.020 . 1 . . . . 27 LEU H . 16472 1 124 . 1 1 27 27 LEU HA H 1 4.427 0.020 . 1 . . . . 27 LEU HA . 16472 1 125 . 1 1 27 27 LEU HB2 H 1 1.623 0.020 . 2 . . . . 27 LEU HB2 . 16472 1 126 . 1 1 27 27 LEU HB3 H 1 1.623 0.020 . 2 . . . . 27 LEU HB3 . 16472 1 127 . 1 1 27 27 LEU HD11 H 1 0.827 0.020 . 2 . . . . 27 LEU HD1 . 16472 1 128 . 1 1 27 27 LEU HD12 H 1 0.827 0.020 . 2 . . . . 27 LEU HD1 . 16472 1 129 . 1 1 27 27 LEU HD13 H 1 0.827 0.020 . 2 . . . . 27 LEU HD1 . 16472 1 130 . 1 1 27 27 LEU HD21 H 1 0.764 0.020 . 2 . . . . 27 LEU HD2 . 16472 1 131 . 1 1 27 27 LEU HD22 H 1 0.764 0.020 . 2 . . . . 27 LEU HD2 . 16472 1 132 . 1 1 27 27 LEU HD23 H 1 0.764 0.020 . 2 . . . . 27 LEU HD2 . 16472 1 133 . 1 1 27 27 LEU CA C 13 55.131 0.400 . 1 . . . . 27 LEU CA . 16472 1 134 . 1 1 27 27 LEU CB C 13 43.427 0.400 . 1 . . . . 27 LEU CB . 16472 1 135 . 1 1 27 27 LEU CD1 C 13 27.321 0.400 . 1 . . . . 27 LEU CD1 . 16472 1 136 . 1 1 27 27 LEU CD2 C 13 23.952 0.400 . 1 . . . . 27 LEU CD2 . 16472 1 137 . 1 1 27 27 LEU N N 15 120.889 0.400 . 1 . . . . 27 LEU N . 16472 1 138 . 1 1 28 28 SER H H 1 8.912 0.020 . 1 . . . . 28 SER H . 16472 1 139 . 1 1 28 28 SER HA H 1 4.647 0.020 . 1 . . . . 28 SER HA . 16472 1 140 . 1 1 28 28 SER HB2 H 1 4.438 0.020 . 2 . . . . 28 SER HB2 . 16472 1 141 . 1 1 28 28 SER HB3 H 1 4.017 0.020 . 2 . . . . 28 SER HB3 . 16472 1 142 . 1 1 28 28 SER CA C 13 56.493 0.400 . 1 . . . . 28 SER CA . 16472 1 143 . 1 1 28 28 SER CB C 13 65.637 0.400 . 1 . . . . 28 SER CB . 16472 1 144 . 1 1 28 28 SER N N 15 119.619 0.400 . 1 . . . . 28 SER N . 16472 1 145 . 1 1 29 29 ARG H H 1 9.034 0.020 . 1 . . . . 29 ARG H . 16472 1 146 . 1 1 29 29 ARG HA H 1 3.696 0.020 . 1 . . . . 29 ARG HA . 16472 1 147 . 1 1 29 29 ARG HB2 H 1 1.761 0.020 . 2 . . . . 29 ARG HB2 . 16472 1 148 . 1 1 29 29 ARG HB3 H 1 1.761 0.020 . 2 . . . . 29 ARG HB3 . 16472 1 149 . 1 1 29 29 ARG HD2 H 1 2.923 0.020 . 2 . . . . 29 ARG HD2 . 16472 1 150 . 1 1 29 29 ARG HD3 H 1 2.832 0.020 . 2 . . . . 29 ARG HD3 . 16472 1 151 . 1 1 29 29 ARG HG2 H 1 1.346 0.020 . 2 . . . . 29 ARG HG2 . 16472 1 152 . 1 1 29 29 ARG HG3 H 1 1.235 0.020 . 2 . . . . 29 ARG HG3 . 16472 1 153 . 1 1 29 29 ARG CA C 13 60.822 0.400 . 1 . . . . 29 ARG CA . 16472 1 154 . 1 1 29 29 ARG CB C 13 30.480 0.400 . 1 . . . . 29 ARG CB . 16472 1 155 . 1 1 29 29 ARG CD C 13 43.053 0.400 . 1 . . . . 29 ARG CD . 16472 1 156 . 1 1 29 29 ARG CG C 13 27.832 0.400 . 1 . . . . 29 ARG CG . 16472 1 157 . 1 1 29 29 ARG N N 15 122.579 0.400 . 1 . . . . 29 ARG N . 16472 1 158 . 1 1 30 30 ASP H H 1 8.410 0.020 . 1 . . . . 30 ASP H . 16472 1 159 . 1 1 30 30 ASP HA H 1 4.406 0.020 . 1 . . . . 30 ASP HA . 16472 1 160 . 1 1 30 30 ASP HB2 H 1 2.630 0.020 . 2 . . . . 30 ASP HB2 . 16472 1 161 . 1 1 30 30 ASP HB3 H 1 2.503 0.020 . 2 . . . . 30 ASP HB3 . 16472 1 162 . 1 1 30 30 ASP CA C 13 57.372 0.400 . 1 . . . . 30 ASP CA . 16472 1 163 . 1 1 30 30 ASP CB C 13 40.267 0.400 . 1 . . . . 30 ASP CB . 16472 1 164 . 1 1 30 30 ASP N N 15 115.894 0.400 . 1 . . . . 30 ASP N . 16472 1 165 . 1 1 31 31 GLN H H 1 7.946 0.020 . 1 . . . . 31 GLN H . 16472 1 166 . 1 1 31 31 GLN HA H 1 4.074 0.020 . 1 . . . . 31 GLN HA . 16472 1 167 . 1 1 31 31 GLN HB2 H 1 2.311 0.020 . 2 . . . . 31 GLN HB2 . 16472 1 168 . 1 1 31 31 GLN HB3 H 1 1.942 0.020 . 2 . . . . 31 GLN HB3 . 16472 1 169 . 1 1 31 31 GLN HG2 H 1 2.444 0.020 . 2 . . . . 31 GLN HG2 . 16472 1 170 . 1 1 31 31 GLN HG3 H 1 2.444 0.020 . 2 . . . . 31 GLN HG3 . 16472 1 171 . 1 1 31 31 GLN CA C 13 58.479 0.400 . 1 . . . . 31 GLN CA . 16472 1 172 . 1 1 31 31 GLN CB C 13 29.284 0.400 . 1 . . . . 31 GLN CB . 16472 1 173 . 1 1 31 31 GLN CG C 13 34.608 0.400 . 1 . . . . 31 GLN CG . 16472 1 174 . 1 1 31 31 GLN N N 15 120.632 0.400 . 1 . . . . 31 GLN N . 16472 1 175 . 1 1 32 32 ALA H H 1 8.208 0.020 . 1 . . . . 32 ALA H . 16472 1 176 . 1 1 32 32 ALA HA H 1 3.970 0.020 . 1 . . . . 32 ALA HA . 16472 1 177 . 1 1 32 32 ALA HB1 H 1 1.436 0.020 . 1 . . . . 32 ALA HB . 16472 1 178 . 1 1 32 32 ALA HB2 H 1 1.436 0.020 . 1 . . . . 32 ALA HB . 16472 1 179 . 1 1 32 32 ALA HB3 H 1 1.436 0.020 . 1 . . . . 32 ALA HB . 16472 1 180 . 1 1 32 32 ALA CA C 13 55.179 0.400 . 1 . . . . 32 ALA CA . 16472 1 181 . 1 1 32 32 ALA CB C 13 17.592 0.400 . 1 . . . . 32 ALA CB . 16472 1 182 . 1 1 32 32 ALA N N 15 121.892 0.400 . 1 . . . . 32 ALA N . 16472 1 183 . 1 1 33 33 ILE H H 1 7.860 0.020 . 1 . . . . 33 ILE H . 16472 1 184 . 1 1 33 33 ILE HA H 1 3.472 0.020 . 1 . . . . 33 ILE HA . 16472 1 185 . 1 1 33 33 ILE HB H 1 1.948 0.020 . 1 . . . . 33 ILE HB . 16472 1 186 . 1 1 33 33 ILE HD11 H 1 1.033 0.020 . 1 . . . . 33 ILE HD1 . 16472 1 187 . 1 1 33 33 ILE HD12 H 1 1.033 0.020 . 1 . . . . 33 ILE HD1 . 16472 1 188 . 1 1 33 33 ILE HD13 H 1 1.033 0.020 . 1 . . . . 33 ILE HD1 . 16472 1 189 . 1 1 33 33 ILE HG12 H 1 2.051 0.020 . 2 . . . . 33 ILE HG12 . 16472 1 190 . 1 1 33 33 ILE HG13 H 1 1.095 0.020 . 2 . . . . 33 ILE HG13 . 16472 1 191 . 1 1 33 33 ILE HG21 H 1 0.957 0.020 . 1 . . . . 33 ILE HG2 . 16472 1 192 . 1 1 33 33 ILE HG22 H 1 0.957 0.020 . 1 . . . . 33 ILE HG2 . 16472 1 193 . 1 1 33 33 ILE HG23 H 1 0.957 0.020 . 1 . . . . 33 ILE HG2 . 16472 1 194 . 1 1 33 33 ILE CA C 13 66.256 0.400 . 1 . . . . 33 ILE CA . 16472 1 195 . 1 1 33 33 ILE CB C 13 38.749 0.400 . 1 . . . . 33 ILE CB . 16472 1 196 . 1 1 33 33 ILE CD1 C 13 14.973 0.400 . 1 . . . . 33 ILE CD1 . 16472 1 197 . 1 1 33 33 ILE CG1 C 13 29.855 0.400 . 1 . . . . 33 ILE CG1 . 16472 1 198 . 1 1 33 33 ILE CG2 C 13 17.582 0.400 . 1 . . . . 33 ILE CG2 . 16472 1 199 . 1 1 33 33 ILE N N 15 115.900 0.400 . 1 . . . . 33 ILE N . 16472 1 200 . 1 1 34 34 ALA H H 1 7.655 0.020 . 1 . . . . 34 ALA H . 16472 1 201 . 1 1 34 34 ALA HA H 1 3.970 0.020 . 1 . . . . 34 ALA HA . 16472 1 202 . 1 1 34 34 ALA HB1 H 1 1.482 0.020 . 1 . . . . 34 ALA HB . 16472 1 203 . 1 1 34 34 ALA HB2 H 1 1.482 0.020 . 1 . . . . 34 ALA HB . 16472 1 204 . 1 1 34 34 ALA HB3 H 1 1.482 0.020 . 1 . . . . 34 ALA HB . 16472 1 205 . 1 1 34 34 ALA CA C 13 55.156 0.400 . 1 . . . . 34 ALA CA . 16472 1 206 . 1 1 34 34 ALA CB C 13 18.069 0.400 . 1 . . . . 34 ALA CB . 16472 1 207 . 1 1 34 34 ALA N N 15 119.694 0.400 . 1 . . . . 34 ALA N . 16472 1 208 . 1 1 35 35 LEU H H 1 7.738 0.020 . 1 . . . . 35 LEU H . 16472 1 209 . 1 1 35 35 LEU HA H 1 4.173 0.020 . 1 . . . . 35 LEU HA . 16472 1 210 . 1 1 35 35 LEU HB2 H 1 1.770 0.020 . 2 . . . . 35 LEU HB2 . 16472 1 211 . 1 1 35 35 LEU HB3 H 1 1.481 0.020 . 2 . . . . 35 LEU HB3 . 16472 1 212 . 1 1 35 35 LEU HD11 H 1 0.859 0.020 . 2 . . . . 35 LEU HD1 . 16472 1 213 . 1 1 35 35 LEU HD12 H 1 0.859 0.020 . 2 . . . . 35 LEU HD1 . 16472 1 214 . 1 1 35 35 LEU HD13 H 1 0.859 0.020 . 2 . . . . 35 LEU HD1 . 16472 1 215 . 1 1 35 35 LEU HD21 H 1 0.871 0.020 . 2 . . . . 35 LEU HD2 . 16472 1 216 . 1 1 35 35 LEU HD22 H 1 0.871 0.020 . 2 . . . . 35 LEU HD2 . 16472 1 217 . 1 1 35 35 LEU HD23 H 1 0.871 0.020 . 2 . . . . 35 LEU HD2 . 16472 1 218 . 1 1 35 35 LEU HG H 1 1.773 0.020 . 1 . . . . 35 LEU HG . 16472 1 219 . 1 1 35 35 LEU CA C 13 56.855 0.400 . 1 . . . . 35 LEU CA . 16472 1 220 . 1 1 35 35 LEU CB C 13 42.934 0.400 . 1 . . . . 35 LEU CB . 16472 1 221 . 1 1 35 35 LEU CD1 C 13 25.691 0.400 . 1 . . . . 35 LEU CD1 . 16472 1 222 . 1 1 35 35 LEU CD2 C 13 23.309 0.400 . 1 . . . . 35 LEU CD2 . 16472 1 223 . 1 1 35 35 LEU CG C 13 27.407 0.400 . 1 . . . . 35 LEU CG . 16472 1 224 . 1 1 35 35 LEU N N 15 116.748 0.400 . 1 . . . . 35 LEU N . 16472 1 225 . 1 1 36 36 LEU H H 1 7.506 0.020 . 1 . . . . 36 LEU H . 16472 1 226 . 1 1 36 36 LEU HA H 1 4.340 0.020 . 1 . . . . 36 LEU HA . 16472 1 227 . 1 1 36 36 LEU HB2 H 1 1.719 0.020 . 2 . . . . 36 LEU HB2 . 16472 1 228 . 1 1 36 36 LEU HB3 H 1 1.244 0.020 . 2 . . . . 36 LEU HB3 . 16472 1 229 . 1 1 36 36 LEU HD11 H 1 0.691 0.020 . 2 . . . . 36 LEU HD1 . 16472 1 230 . 1 1 36 36 LEU HD12 H 1 0.691 0.020 . 2 . . . . 36 LEU HD1 . 16472 1 231 . 1 1 36 36 LEU HD13 H 1 0.691 0.020 . 2 . . . . 36 LEU HD1 . 16472 1 232 . 1 1 36 36 LEU HD21 H 1 0.637 0.020 . 2 . . . . 36 LEU HD2 . 16472 1 233 . 1 1 36 36 LEU HD22 H 1 0.637 0.020 . 2 . . . . 36 LEU HD2 . 16472 1 234 . 1 1 36 36 LEU HD23 H 1 0.637 0.020 . 2 . . . . 36 LEU HD2 . 16472 1 235 . 1 1 36 36 LEU CA C 13 55.287 0.400 . 1 . . . . 36 LEU CA . 16472 1 236 . 1 1 36 36 LEU CB C 13 44.362 0.400 . 1 . . . . 36 LEU CB . 16472 1 237 . 1 1 36 36 LEU CD1 C 13 27.223 0.400 . 1 . . . . 36 LEU CD1 . 16472 1 238 . 1 1 36 36 LEU CD2 C 13 22.582 0.400 . 1 . . . . 36 LEU CD2 . 16472 1 239 . 1 1 36 36 LEU N N 15 116.670 0.400 . 1 . . . . 36 LEU N . 16472 1 240 . 1 1 37 37 LYS H H 1 7.985 0.020 . 1 . . . . 37 LYS H . 16472 1 241 . 1 1 37 37 LYS HA H 1 3.713 0.020 . 1 . . . . 37 LYS HA . 16472 1 242 . 1 1 37 37 LYS HB2 H 1 1.860 0.020 . 2 . . . . 37 LYS HB2 . 16472 1 243 . 1 1 37 37 LYS HB3 H 1 1.860 0.020 . 2 . . . . 37 LYS HB3 . 16472 1 244 . 1 1 37 37 LYS HD2 H 1 1.682 0.020 . 2 . . . . 37 LYS HD2 . 16472 1 245 . 1 1 37 37 LYS HD3 H 1 1.611 0.020 . 2 . . . . 37 LYS HD3 . 16472 1 246 . 1 1 37 37 LYS HE2 H 1 3.021 0.020 . 2 . . . . 37 LYS HE2 . 16472 1 247 . 1 1 37 37 LYS HE3 H 1 2.989 0.020 . 2 . . . . 37 LYS HE3 . 16472 1 248 . 1 1 37 37 LYS HG2 H 1 1.530 0.020 . 2 . . . . 37 LYS HG2 . 16472 1 249 . 1 1 37 37 LYS HG3 H 1 1.352 0.020 . 2 . . . . 37 LYS HG3 . 16472 1 250 . 1 1 37 37 LYS CA C 13 60.842 0.400 . 1 . . . . 37 LYS CA . 16472 1 251 . 1 1 37 37 LYS CB C 13 31.792 0.400 . 1 . . . . 37 LYS CB . 16472 1 252 . 1 1 37 37 LYS CD C 13 29.740 0.400 . 1 . . . . 37 LYS CD . 16472 1 253 . 1 1 37 37 LYS CE C 13 41.983 0.400 . 1 . . . . 37 LYS CE . 16472 1 254 . 1 1 37 37 LYS CG C 13 23.735 0.400 . 1 . . . . 37 LYS CG . 16472 1 255 . 1 1 37 37 LYS N N 15 118.460 0.400 . 1 . . . . 37 LYS N . 16472 1 256 . 1 1 38 38 ASP H H 1 8.424 0.020 . 1 . . . . 38 ASP H . 16472 1 257 . 1 1 38 38 ASP HA H 1 4.931 0.020 . 1 . . . . 38 ASP HA . 16472 1 258 . 1 1 38 38 ASP HB2 H 1 2.761 0.020 . 2 . . . . 38 ASP HB2 . 16472 1 259 . 1 1 38 38 ASP HB3 H 1 2.703 0.020 . 2 . . . . 38 ASP HB3 . 16472 1 260 . 1 1 38 38 ASP CA C 13 53.474 0.400 . 1 . . . . 38 ASP CA . 16472 1 261 . 1 1 38 38 ASP CB C 13 40.823 0.400 . 1 . . . . 38 ASP CB . 16472 1 262 . 1 1 38 38 ASP N N 15 117.481 0.400 . 1 . . . . 38 ASP N . 16472 1 263 . 1 1 39 39 LYS H H 1 7.413 0.020 . 1 . . . . 39 LYS H . 16472 1 264 . 1 1 39 39 LYS HA H 1 4.464 0.020 . 1 . . . . 39 LYS HA . 16472 1 265 . 1 1 39 39 LYS HB2 H 1 1.962 0.020 . 2 . . . . 39 LYS HB2 . 16472 1 266 . 1 1 39 39 LYS HB3 H 1 1.918 0.020 . 2 . . . . 39 LYS HB3 . 16472 1 267 . 1 1 39 39 LYS HE2 H 1 3.144 0.020 . 2 . . . . 39 LYS HE2 . 16472 1 268 . 1 1 39 39 LYS HE3 H 1 3.003 0.020 . 2 . . . . 39 LYS HE3 . 16472 1 269 . 1 1 39 39 LYS HG2 H 1 1.608 0.020 . 2 . . . . 39 LYS HG2 . 16472 1 270 . 1 1 39 39 LYS HG3 H 1 1.528 0.020 . 2 . . . . 39 LYS HG3 . 16472 1 271 . 1 1 39 39 LYS CA C 13 53.732 0.400 . 1 . . . . 39 LYS CA . 16472 1 272 . 1 1 39 39 LYS CB C 13 33.216 0.400 . 1 . . . . 39 LYS CB . 16472 1 273 . 1 1 39 39 LYS CE C 13 42.325 0.400 . 1 . . . . 39 LYS CE . 16472 1 274 . 1 1 39 39 LYS CG C 13 25.692 0.400 . 1 . . . . 39 LYS CG . 16472 1 275 . 1 1 39 39 LYS N N 15 118.408 0.400 . 1 . . . . 39 LYS N . 16472 1 276 . 1 1 40 40 ASP H H 1 8.360 0.020 . 1 . . . . 40 ASP H . 16472 1 277 . 1 1 40 40 ASP HA H 1 4.831 0.020 . 1 . . . . 40 ASP HA . 16472 1 278 . 1 1 40 40 ASP HB2 H 1 2.674 0.020 . 2 . . . . 40 ASP HB2 . 16472 1 279 . 1 1 40 40 ASP HB3 H 1 2.414 0.020 . 2 . . . . 40 ASP HB3 . 16472 1 280 . 1 1 40 40 ASP CA C 13 53.341 0.400 . 1 . . . . 40 ASP CA . 16472 1 281 . 1 1 40 40 ASP CB C 13 39.539 0.400 . 1 . . . . 40 ASP CB . 16472 1 282 . 1 1 40 40 ASP N N 15 120.244 0.400 . 1 . . . . 40 ASP N . 16472 1 283 . 1 1 41 41 PRO HA H 1 3.938 0.020 . 1 . . . . 41 PRO HA . 16472 1 284 . 1 1 41 41 PRO HB2 H 1 2.128 0.020 . 2 . . . . 41 PRO HB2 . 16472 1 285 . 1 1 41 41 PRO HB3 H 1 1.942 0.020 . 2 . . . . 41 PRO HB3 . 16472 1 286 . 1 1 41 41 PRO CA C 13 63.827 0.400 . 1 . . . . 41 PRO CA . 16472 1 287 . 1 1 41 41 PRO CB C 13 31.781 0.400 . 1 . . . . 41 PRO CB . 16472 1 288 . 1 1 42 42 GLY H H 1 9.289 0.020 . 1 . . . . 42 GLY H . 16472 1 289 . 1 1 42 42 GLY HA2 H 1 4.539 0.020 . 2 . . . . 42 GLY HA2 . 16472 1 290 . 1 1 42 42 GLY HA3 H 1 3.585 0.020 . 2 . . . . 42 GLY HA3 . 16472 1 291 . 1 1 42 42 GLY CA C 13 45.386 0.400 . 1 . . . . 42 GLY CA . 16472 1 292 . 1 1 42 42 GLY N N 15 114.879 0.400 . 1 . . . . 42 GLY N . 16472 1 293 . 1 1 43 43 ALA H H 1 7.933 0.020 . 1 . . . . 43 ALA H . 16472 1 294 . 1 1 43 43 ALA HA H 1 4.663 0.020 . 1 . . . . 43 ALA HA . 16472 1 295 . 1 1 43 43 ALA HB1 H 1 1.485 0.020 . 1 . . . . 43 ALA HB . 16472 1 296 . 1 1 43 43 ALA HB2 H 1 1.485 0.020 . 1 . . . . 43 ALA HB . 16472 1 297 . 1 1 43 43 ALA HB3 H 1 1.485 0.020 . 1 . . . . 43 ALA HB . 16472 1 298 . 1 1 43 43 ALA CA C 13 53.086 0.400 . 1 . . . . 43 ALA CA . 16472 1 299 . 1 1 43 43 ALA CB C 13 20.044 0.400 . 1 . . . . 43 ALA CB . 16472 1 300 . 1 1 43 43 ALA N N 15 124.550 0.400 . 1 . . . . 43 ALA N . 16472 1 301 . 1 1 44 44 PHE H H 1 7.781 0.020 . 1 . . . . 44 PHE H . 16472 1 302 . 1 1 44 44 PHE HA H 1 5.893 0.020 . 1 . . . . 44 PHE HA . 16472 1 303 . 1 1 44 44 PHE HB2 H 1 3.129 0.020 . 2 . . . . 44 PHE HB2 . 16472 1 304 . 1 1 44 44 PHE HB3 H 1 2.991 0.020 . 2 . . . . 44 PHE HB3 . 16472 1 305 . 1 1 44 44 PHE CA C 13 55.689 0.400 . 1 . . . . 44 PHE CA . 16472 1 306 . 1 1 44 44 PHE CB C 13 43.464 0.400 . 1 . . . . 44 PHE CB . 16472 1 307 . 1 1 44 44 PHE N N 15 116.581 0.400 . 1 . . . . 44 PHE N . 16472 1 308 . 1 1 45 45 LEU H H 1 8.779 0.020 . 1 . . . . 45 LEU H . 16472 1 309 . 1 1 45 45 LEU HA H 1 4.887 0.020 . 1 . . . . 45 LEU HA . 16472 1 310 . 1 1 45 45 LEU HB2 H 1 1.562 0.020 . 2 . . . . 45 LEU HB2 . 16472 1 311 . 1 1 45 45 LEU HB3 H 1 1.562 0.020 . 2 . . . . 45 LEU HB3 . 16472 1 312 . 1 1 45 45 LEU HD11 H 1 0.881 0.020 . 2 . . . . 45 LEU HD1 . 16472 1 313 . 1 1 45 45 LEU HD12 H 1 0.881 0.020 . 2 . . . . 45 LEU HD1 . 16472 1 314 . 1 1 45 45 LEU HD13 H 1 0.881 0.020 . 2 . . . . 45 LEU HD1 . 16472 1 315 . 1 1 45 45 LEU HD21 H 1 0.968 0.020 . 2 . . . . 45 LEU HD2 . 16472 1 316 . 1 1 45 45 LEU HD22 H 1 0.968 0.020 . 2 . . . . 45 LEU HD2 . 16472 1 317 . 1 1 45 45 LEU HD23 H 1 0.968 0.020 . 2 . . . . 45 LEU HD2 . 16472 1 318 . 1 1 45 45 LEU HG H 1 1.714 0.020 . 1 . . . . 45 LEU HG . 16472 1 319 . 1 1 45 45 LEU CA C 13 54.155 0.400 . 1 . . . . 45 LEU CA . 16472 1 320 . 1 1 45 45 LEU CB C 13 48.060 0.400 . 1 . . . . 45 LEU CB . 16472 1 321 . 1 1 45 45 LEU CD1 C 13 26.748 0.400 . 1 . . . . 45 LEU CD1 . 16472 1 322 . 1 1 45 45 LEU CD2 C 13 25.578 0.400 . 1 . . . . 45 LEU CD2 . 16472 1 323 . 1 1 45 45 LEU CG C 13 26.661 0.400 . 1 . . . . 45 LEU CG . 16472 1 324 . 1 1 45 45 LEU N N 15 116.844 0.400 . 1 . . . . 45 LEU N . 16472 1 325 . 1 1 46 46 ILE H H 1 9.408 0.020 . 1 . . . . 46 ILE H . 16472 1 326 . 1 1 46 46 ILE HA H 1 5.508 0.020 . 1 . . . . 46 ILE HA . 16472 1 327 . 1 1 46 46 ILE HB H 1 2.107 0.020 . 1 . . . . 46 ILE HB . 16472 1 328 . 1 1 46 46 ILE HD11 H 1 0.631 0.020 . 1 . . . . 46 ILE HD1 . 16472 1 329 . 1 1 46 46 ILE HD12 H 1 0.631 0.020 . 1 . . . . 46 ILE HD1 . 16472 1 330 . 1 1 46 46 ILE HD13 H 1 0.631 0.020 . 1 . . . . 46 ILE HD1 . 16472 1 331 . 1 1 46 46 ILE HG12 H 1 1.959 0.020 . 2 . . . . 46 ILE HG12 . 16472 1 332 . 1 1 46 46 ILE HG13 H 1 1.147 0.020 . 2 . . . . 46 ILE HG13 . 16472 1 333 . 1 1 46 46 ILE HG21 H 1 1.080 0.020 . 1 . . . . 46 ILE HG2 . 16472 1 334 . 1 1 46 46 ILE HG22 H 1 1.080 0.020 . 1 . . . . 46 ILE HG2 . 16472 1 335 . 1 1 46 46 ILE HG23 H 1 1.080 0.020 . 1 . . . . 46 ILE HG2 . 16472 1 336 . 1 1 46 46 ILE CA C 13 60.392 0.400 . 1 . . . . 46 ILE CA . 16472 1 337 . 1 1 46 46 ILE CB C 13 40.270 0.400 . 1 . . . . 46 ILE CB . 16472 1 338 . 1 1 46 46 ILE CD1 C 13 13.424 0.400 . 1 . . . . 46 ILE CD1 . 16472 1 339 . 1 1 46 46 ILE CG1 C 13 29.683 0.400 . 1 . . . . 46 ILE CG1 . 16472 1 340 . 1 1 46 46 ILE CG2 C 13 18.744 0.400 . 1 . . . . 46 ILE CG2 . 16472 1 341 . 1 1 46 46 ILE N N 15 121.125 0.400 . 1 . . . . 46 ILE N . 16472 1 342 . 1 1 47 47 ARG H H 1 9.233 0.020 . 1 . . . . 47 ARG H . 16472 1 343 . 1 1 47 47 ARG HA H 1 5.253 0.020 . 1 . . . . 47 ARG HA . 16472 1 344 . 1 1 47 47 ARG HB2 H 1 2.149 0.020 . 2 . . . . 47 ARG HB2 . 16472 1 345 . 1 1 47 47 ARG HB3 H 1 1.524 0.020 . 2 . . . . 47 ARG HB3 . 16472 1 346 . 1 1 47 47 ARG HD2 H 1 3.169 0.020 . 2 . . . . 47 ARG HD2 . 16472 1 347 . 1 1 47 47 ARG HD3 H 1 2.800 0.020 . 2 . . . . 47 ARG HD3 . 16472 1 348 . 1 1 47 47 ARG HG2 H 1 1.416 0.020 . 2 . . . . 47 ARG HG2 . 16472 1 349 . 1 1 47 47 ARG HG3 H 1 1.416 0.020 . 2 . . . . 47 ARG HG3 . 16472 1 350 . 1 1 47 47 ARG CA C 13 52.602 0.400 . 1 . . . . 47 ARG CA . 16472 1 351 . 1 1 47 47 ARG CB C 13 34.364 0.400 . 1 . . . . 47 ARG CB . 16472 1 352 . 1 1 47 47 ARG CD C 13 42.980 0.400 . 1 . . . . 47 ARG CD . 16472 1 353 . 1 1 47 47 ARG CG C 13 26.350 0.400 . 1 . . . . 47 ARG CG . 16472 1 354 . 1 1 47 47 ARG N N 15 124.374 0.400 . 1 . . . . 47 ARG N . 16472 1 355 . 1 1 48 48 ASP H H 1 8.879 0.020 . 1 . . . . 48 ASP H . 16472 1 356 . 1 1 48 48 ASP HA H 1 4.982 0.020 . 1 . . . . 48 ASP HA . 16472 1 357 . 1 1 48 48 ASP HB2 H 1 2.779 0.020 . 2 . . . . 48 ASP HB2 . 16472 1 358 . 1 1 48 48 ASP HB3 H 1 2.559 0.020 . 2 . . . . 48 ASP HB3 . 16472 1 359 . 1 1 48 48 ASP CA C 13 55.410 0.400 . 1 . . . . 48 ASP CA . 16472 1 360 . 1 1 48 48 ASP CB C 13 39.573 0.400 . 1 . . . . 48 ASP CB . 16472 1 361 . 1 1 48 48 ASP N N 15 123.625 0.400 . 1 . . . . 48 ASP N . 16472 1 362 . 1 1 49 49 SER H H 1 7.955 0.020 . 1 . . . . 49 SER H . 16472 1 363 . 1 1 49 49 SER HA H 1 4.462 0.020 . 1 . . . . 49 SER HA . 16472 1 364 . 1 1 49 49 SER HB2 H 1 3.549 0.020 . 2 . . . . 49 SER HB2 . 16472 1 365 . 1 1 49 49 SER HB3 H 1 3.549 0.020 . 2 . . . . 49 SER HB3 . 16472 1 366 . 1 1 49 49 SER CA C 13 57.486 0.400 . 1 . . . . 49 SER CA . 16472 1 367 . 1 1 49 49 SER CB C 13 63.844 0.400 . 1 . . . . 49 SER CB . 16472 1 368 . 1 1 49 49 SER N N 15 115.063 0.400 . 1 . . . . 49 SER N . 16472 1 369 . 1 1 50 50 HIS H H 1 8.897 0.020 . 1 . . . . 50 HIS H . 16472 1 370 . 1 1 50 50 HIS HA H 1 4.749 0.020 . 1 . . . . 50 HIS HA . 16472 1 371 . 1 1 50 50 HIS HB2 H 1 3.418 0.020 . 2 . . . . 50 HIS HB2 . 16472 1 372 . 1 1 50 50 HIS HB3 H 1 3.208 0.020 . 2 . . . . 50 HIS HB3 . 16472 1 373 . 1 1 50 50 HIS HD2 H 1 7.271 0.020 . 1 . . . . 50 HIS HD2 . 16472 1 374 . 1 1 50 50 HIS CA C 13 55.837 0.400 . 1 . . . . 50 HIS CA . 16472 1 375 . 1 1 50 50 HIS CB C 13 28.276 0.400 . 1 . . . . 50 HIS CB . 16472 1 376 . 1 1 50 50 HIS N N 15 122.843 0.400 . 1 . . . . 50 HIS N . 16472 1 377 . 1 1 51 51 SER H H 1 8.231 0.020 . 1 . . . . 51 SER H . 16472 1 378 . 1 1 51 51 SER HA H 1 4.292 0.020 . 1 . . . . 51 SER HA . 16472 1 379 . 1 1 51 51 SER HB2 H 1 3.604 0.020 . 2 . . . . 51 SER HB2 . 16472 1 380 . 1 1 51 51 SER HB3 H 1 3.604 0.020 . 2 . . . . 51 SER HB3 . 16472 1 381 . 1 1 51 51 SER CA C 13 59.303 0.400 . 1 . . . . 51 SER CA . 16472 1 382 . 1 1 51 51 SER CB C 13 63.956 0.400 . 1 . . . . 51 SER CB . 16472 1 383 . 1 1 51 51 SER N N 15 115.630 0.400 . 1 . . . . 51 SER N . 16472 1 384 . 1 1 52 52 PHE H H 1 7.679 0.020 . 1 . . . . 52 PHE H . 16472 1 385 . 1 1 52 52 PHE HA H 1 4.612 0.020 . 1 . . . . 52 PHE HA . 16472 1 386 . 1 1 52 52 PHE HB2 H 1 3.202 0.020 . 2 . . . . 52 PHE HB2 . 16472 1 387 . 1 1 52 52 PHE HB3 H 1 2.969 0.020 . 2 . . . . 52 PHE HB3 . 16472 1 388 . 1 1 52 52 PHE HD1 H 1 7.242 0.020 . 1 . . . . 52 PHE HD1 . 16472 1 389 . 1 1 52 52 PHE HD2 H 1 7.242 0.020 . 1 . . . . 52 PHE HD2 . 16472 1 390 . 1 1 52 52 PHE HE1 H 1 7.375 0.020 . 1 . . . . 52 PHE HE1 . 16472 1 391 . 1 1 52 52 PHE HE2 H 1 7.375 0.020 . 1 . . . . 52 PHE HE2 . 16472 1 392 . 1 1 52 52 PHE CA C 13 56.988 0.400 . 1 . . . . 52 PHE CA . 16472 1 393 . 1 1 52 52 PHE CB C 13 39.568 0.400 . 1 . . . . 52 PHE CB . 16472 1 394 . 1 1 52 52 PHE N N 15 118.364 0.400 . 1 . . . . 52 PHE N . 16472 1 395 . 1 1 53 53 GLN H H 1 8.544 0.020 . 1 . . . . 53 GLN H . 16472 1 396 . 1 1 53 53 GLN HA H 1 4.138 0.020 . 1 . . . . 53 GLN HA . 16472 1 397 . 1 1 53 53 GLN HB2 H 1 2.066 0.020 . 2 . . . . 53 GLN HB2 . 16472 1 398 . 1 1 53 53 GLN HB3 H 1 2.018 0.020 . 2 . . . . 53 GLN HB3 . 16472 1 399 . 1 1 53 53 GLN HG2 H 1 2.322 0.020 . 2 . . . . 53 GLN HG2 . 16472 1 400 . 1 1 53 53 GLN HG3 H 1 2.322 0.020 . 2 . . . . 53 GLN HG3 . 16472 1 401 . 1 1 53 53 GLN CA C 13 57.238 0.400 . 1 . . . . 53 GLN CA . 16472 1 402 . 1 1 53 53 GLN CB C 13 28.471 0.400 . 1 . . . . 53 GLN CB . 16472 1 403 . 1 1 53 53 GLN CG C 13 33.694 0.400 . 1 . . . . 53 GLN CG . 16472 1 404 . 1 1 53 53 GLN N N 15 120.848 0.400 . 1 . . . . 53 GLN N . 16472 1 405 . 1 1 54 54 GLY H H 1 8.545 0.020 . 1 . . . . 54 GLY H . 16472 1 406 . 1 1 54 54 GLY HA2 H 1 4.005 0.020 . 2 . . . . 54 GLY HA2 . 16472 1 407 . 1 1 54 54 GLY HA3 H 1 3.776 0.020 . 2 . . . . 54 GLY HA3 . 16472 1 408 . 1 1 54 54 GLY CA C 13 45.566 0.400 . 1 . . . . 54 GLY CA . 16472 1 409 . 1 1 54 54 GLY N N 15 112.139 0.400 . 1 . . . . 54 GLY N . 16472 1 410 . 1 1 55 55 ALA H H 1 7.617 0.020 . 1 . . . . 55 ALA H . 16472 1 411 . 1 1 55 55 ALA HA H 1 4.839 0.020 . 1 . . . . 55 ALA HA . 16472 1 412 . 1 1 55 55 ALA HB1 H 1 1.166 0.020 . 1 . . . . 55 ALA HB . 16472 1 413 . 1 1 55 55 ALA HB2 H 1 1.166 0.020 . 1 . . . . 55 ALA HB . 16472 1 414 . 1 1 55 55 ALA HB3 H 1 1.166 0.020 . 1 . . . . 55 ALA HB . 16472 1 415 . 1 1 55 55 ALA CA C 13 51.605 0.400 . 1 . . . . 55 ALA CA . 16472 1 416 . 1 1 55 55 ALA CB C 13 21.125 0.400 . 1 . . . . 55 ALA CB . 16472 1 417 . 1 1 55 55 ALA N N 15 121.375 0.400 . 1 . . . . 55 ALA N . 16472 1 418 . 1 1 56 56 TYR H H 1 8.896 0.020 . 1 . . . . 56 TYR H . 16472 1 419 . 1 1 56 56 TYR HA H 1 5.327 0.020 . 1 . . . . 56 TYR HA . 16472 1 420 . 1 1 56 56 TYR HB2 H 1 3.360 0.020 . 2 . . . . 56 TYR HB2 . 16472 1 421 . 1 1 56 56 TYR HB3 H 1 2.613 0.020 . 2 . . . . 56 TYR HB3 . 16472 1 422 . 1 1 56 56 TYR HD1 H 1 7.056 0.020 . 1 . . . . 56 TYR HD1 . 16472 1 423 . 1 1 56 56 TYR HD2 H 1 7.056 0.020 . 1 . . . . 56 TYR HD2 . 16472 1 424 . 1 1 56 56 TYR HE1 H 1 6.817 0.020 . 1 . . . . 56 TYR HE1 . 16472 1 425 . 1 1 56 56 TYR HE2 H 1 6.817 0.020 . 1 . . . . 56 TYR HE2 . 16472 1 426 . 1 1 56 56 TYR CA C 13 56.435 0.400 . 1 . . . . 56 TYR CA . 16472 1 427 . 1 1 56 56 TYR CB C 13 41.917 0.400 . 1 . . . . 56 TYR CB . 16472 1 428 . 1 1 56 56 TYR N N 15 116.830 0.400 . 1 . . . . 56 TYR N . 16472 1 429 . 1 1 57 57 GLY H H 1 9.425 0.020 . 1 . . . . 57 GLY H . 16472 1 430 . 1 1 57 57 GLY HA2 H 1 5.108 0.020 . 2 . . . . 57 GLY HA2 . 16472 1 431 . 1 1 57 57 GLY HA3 H 1 3.407 0.020 . 2 . . . . 57 GLY HA3 . 16472 1 432 . 1 1 57 57 GLY CA C 13 44.794 0.400 . 1 . . . . 57 GLY CA . 16472 1 433 . 1 1 57 57 GLY N N 15 108.542 0.400 . 1 . . . . 57 GLY N . 16472 1 434 . 1 1 58 58 LEU H H 1 9.014 0.020 . 1 . . . . 58 LEU H . 16472 1 435 . 1 1 58 58 LEU HA H 1 5.283 0.020 . 1 . . . . 58 LEU HA . 16472 1 436 . 1 1 58 58 LEU HB2 H 1 1.826 0.020 . 2 . . . . 58 LEU HB2 . 16472 1 437 . 1 1 58 58 LEU HB3 H 1 1.312 0.020 . 2 . . . . 58 LEU HB3 . 16472 1 438 . 1 1 58 58 LEU HD11 H 1 0.683 0.020 . 2 . . . . 58 LEU HD1 . 16472 1 439 . 1 1 58 58 LEU HD12 H 1 0.683 0.020 . 2 . . . . 58 LEU HD1 . 16472 1 440 . 1 1 58 58 LEU HD13 H 1 0.683 0.020 . 2 . . . . 58 LEU HD1 . 16472 1 441 . 1 1 58 58 LEU HD21 H 1 0.515 0.020 . 2 . . . . 58 LEU HD2 . 16472 1 442 . 1 1 58 58 LEU HD22 H 1 0.515 0.020 . 2 . . . . 58 LEU HD2 . 16472 1 443 . 1 1 58 58 LEU HD23 H 1 0.515 0.020 . 2 . . . . 58 LEU HD2 . 16472 1 444 . 1 1 58 58 LEU HG H 1 1.566 0.020 . 1 . . . . 58 LEU HG . 16472 1 445 . 1 1 58 58 LEU CA C 13 53.863 0.400 . 1 . . . . 58 LEU CA . 16472 1 446 . 1 1 58 58 LEU CB C 13 44.440 0.400 . 1 . . . . 58 LEU CB . 16472 1 447 . 1 1 58 58 LEU CD1 C 13 25.386 0.400 . 1 . . . . 58 LEU CD1 . 16472 1 448 . 1 1 58 58 LEU CD2 C 13 25.992 0.400 . 1 . . . . 58 LEU CD2 . 16472 1 449 . 1 1 58 58 LEU CG C 13 28.118 0.400 . 1 . . . . 58 LEU CG . 16472 1 450 . 1 1 58 58 LEU N N 15 127.989 0.400 . 1 . . . . 58 LEU N . 16472 1 451 . 1 1 59 59 ALA H H 1 9.110 0.020 . 1 . . . . 59 ALA H . 16472 1 452 . 1 1 59 59 ALA HA H 1 5.263 0.020 . 1 . . . . 59 ALA HA . 16472 1 453 . 1 1 59 59 ALA HB1 H 1 1.139 0.020 . 1 . . . . 59 ALA HB . 16472 1 454 . 1 1 59 59 ALA HB2 H 1 1.139 0.020 . 1 . . . . 59 ALA HB . 16472 1 455 . 1 1 59 59 ALA HB3 H 1 1.139 0.020 . 1 . . . . 59 ALA HB . 16472 1 456 . 1 1 59 59 ALA CA C 13 50.020 0.400 . 1 . . . . 59 ALA CA . 16472 1 457 . 1 1 59 59 ALA CB C 13 21.133 0.400 . 1 . . . . 59 ALA CB . 16472 1 458 . 1 1 59 59 ALA N N 15 132.001 0.400 . 1 . . . . 59 ALA N . 16472 1 459 . 1 1 60 60 LEU H H 1 8.774 0.020 . 1 . . . . 60 LEU H . 16472 1 460 . 1 1 60 60 LEU HA H 1 5.145 0.020 . 1 . . . . 60 LEU HA . 16472 1 461 . 1 1 60 60 LEU HB2 H 1 1.769 0.020 . 2 . . . . 60 LEU HB2 . 16472 1 462 . 1 1 60 60 LEU HB3 H 1 1.082 0.020 . 2 . . . . 60 LEU HB3 . 16472 1 463 . 1 1 60 60 LEU HD11 H 1 0.754 0.020 . 2 . . . . 60 LEU HD1 . 16472 1 464 . 1 1 60 60 LEU HD12 H 1 0.754 0.020 . 2 . . . . 60 LEU HD1 . 16472 1 465 . 1 1 60 60 LEU HD13 H 1 0.754 0.020 . 2 . . . . 60 LEU HD1 . 16472 1 466 . 1 1 60 60 LEU HD21 H 1 0.750 0.020 . 2 . . . . 60 LEU HD2 . 16472 1 467 . 1 1 60 60 LEU HD22 H 1 0.750 0.020 . 2 . . . . 60 LEU HD2 . 16472 1 468 . 1 1 60 60 LEU HD23 H 1 0.750 0.020 . 2 . . . . 60 LEU HD2 . 16472 1 469 . 1 1 60 60 LEU HG H 1 1.375 0.020 . 1 . . . . 60 LEU HG . 16472 1 470 . 1 1 60 60 LEU CA C 13 52.991 0.400 . 1 . . . . 60 LEU CA . 16472 1 471 . 1 1 60 60 LEU CB C 13 48.531 0.400 . 1 . . . . 60 LEU CB . 16472 1 472 . 1 1 60 60 LEU CD1 C 13 24.791 0.400 . 1 . . . . 60 LEU CD1 . 16472 1 473 . 1 1 60 60 LEU CD2 C 13 27.697 0.400 . 1 . . . . 60 LEU CD2 . 16472 1 474 . 1 1 60 60 LEU CG C 13 27.023 0.400 . 1 . . . . 60 LEU CG . 16472 1 475 . 1 1 60 60 LEU N N 15 123.589 0.400 . 1 . . . . 60 LEU N . 16472 1 476 . 1 1 61 61 LYS H H 1 9.106 0.020 . 1 . . . . 61 LYS H . 16472 1 477 . 1 1 61 61 LYS HA H 1 4.992 0.020 . 1 . . . . 61 LYS HA . 16472 1 478 . 1 1 61 61 LYS HB2 H 1 2.217 0.020 . 2 . . . . 61 LYS HB2 . 16472 1 479 . 1 1 61 61 LYS HB3 H 1 1.478 0.020 . 2 . . . . 61 LYS HB3 . 16472 1 480 . 1 1 61 61 LYS HD2 H 1 2.058 0.020 . 2 . . . . 61 LYS HD2 . 16472 1 481 . 1 1 61 61 LYS HD3 H 1 1.516 0.020 . 2 . . . . 61 LYS HD3 . 16472 1 482 . 1 1 61 61 LYS HE2 H 1 3.195 0.020 . 2 . . . . 61 LYS HE2 . 16472 1 483 . 1 1 61 61 LYS HE3 H 1 3.031 0.020 . 2 . . . . 61 LYS HE3 . 16472 1 484 . 1 1 61 61 LYS HG2 H 1 1.599 0.020 . 2 . . . . 61 LYS HG2 . 16472 1 485 . 1 1 61 61 LYS HG3 H 1 1.599 0.020 . 2 . . . . 61 LYS HG3 . 16472 1 486 . 1 1 61 61 LYS CA C 13 54.538 0.400 . 1 . . . . 61 LYS CA . 16472 1 487 . 1 1 61 61 LYS CB C 13 32.772 0.400 . 1 . . . . 61 LYS CB . 16472 1 488 . 1 1 61 61 LYS CD C 13 27.024 0.400 . 1 . . . . 61 LYS CD . 16472 1 489 . 1 1 61 61 LYS CE C 13 43.755 0.400 . 1 . . . . 61 LYS CE . 16472 1 490 . 1 1 61 61 LYS CG C 13 24.840 0.400 . 1 . . . . 61 LYS CG . 16472 1 491 . 1 1 61 61 LYS N N 15 128.908 0.400 . 1 . . . . 61 LYS N . 16472 1 492 . 1 1 62 62 VAL H H 1 8.753 0.020 . 1 . . . . 62 VAL H . 16472 1 493 . 1 1 62 62 VAL HA H 1 4.886 0.020 . 1 . . . . 62 VAL HA . 16472 1 494 . 1 1 62 62 VAL HB H 1 2.427 0.020 . 1 . . . . 62 VAL HB . 16472 1 495 . 1 1 62 62 VAL HG11 H 1 0.929 0.020 . 2 . . . . 62 VAL HG1 . 16472 1 496 . 1 1 62 62 VAL HG12 H 1 0.929 0.020 . 2 . . . . 62 VAL HG1 . 16472 1 497 . 1 1 62 62 VAL HG13 H 1 0.929 0.020 . 2 . . . . 62 VAL HG1 . 16472 1 498 . 1 1 62 62 VAL HG21 H 1 0.838 0.020 . 2 . . . . 62 VAL HG2 . 16472 1 499 . 1 1 62 62 VAL HG22 H 1 0.838 0.020 . 2 . . . . 62 VAL HG2 . 16472 1 500 . 1 1 62 62 VAL HG23 H 1 0.838 0.020 . 2 . . . . 62 VAL HG2 . 16472 1 501 . 1 1 62 62 VAL CA C 13 59.445 0.400 . 1 . . . . 62 VAL CA . 16472 1 502 . 1 1 62 62 VAL CB C 13 34.259 0.400 . 1 . . . . 62 VAL CB . 16472 1 503 . 1 1 62 62 VAL CG1 C 13 22.552 0.400 . 1 . . . . 62 VAL CG1 . 16472 1 504 . 1 1 62 62 VAL CG2 C 13 18.816 0.400 . 1 . . . . 62 VAL CG2 . 16472 1 505 . 1 1 62 62 VAL N N 15 121.177 0.400 . 1 . . . . 62 VAL N . 16472 1 506 . 1 1 63 63 ALA H H 1 8.531 0.020 . 1 . . . . 63 ALA H . 16472 1 507 . 1 1 63 63 ALA HA H 1 4.401 0.020 . 1 . . . . 63 ALA HA . 16472 1 508 . 1 1 63 63 ALA HB1 H 1 1.443 0.020 . 1 . . . . 63 ALA HB . 16472 1 509 . 1 1 63 63 ALA HB2 H 1 1.443 0.020 . 1 . . . . 63 ALA HB . 16472 1 510 . 1 1 63 63 ALA HB3 H 1 1.443 0.020 . 1 . . . . 63 ALA HB . 16472 1 511 . 1 1 63 63 ALA CA C 13 52.439 0.400 . 1 . . . . 63 ALA CA . 16472 1 512 . 1 1 63 63 ALA CB C 13 20.190 0.400 . 1 . . . . 63 ALA CB . 16472 1 513 . 1 1 63 63 ALA N N 15 120.018 0.400 . 1 . . . . 63 ALA N . 16472 1 514 . 1 1 64 64 THR H H 1 7.731 0.020 . 1 . . . . 64 THR H . 16472 1 515 . 1 1 64 64 THR HA H 1 4.531 0.020 . 1 . . . . 64 THR HA . 16472 1 516 . 1 1 64 64 THR HB H 1 4.084 0.020 . 1 . . . . 64 THR HB . 16472 1 517 . 1 1 64 64 THR HG21 H 1 1.247 0.020 . 1 . . . . 64 THR HG2 . 16472 1 518 . 1 1 64 64 THR HG22 H 1 1.247 0.020 . 1 . . . . 64 THR HG2 . 16472 1 519 . 1 1 64 64 THR HG23 H 1 1.247 0.020 . 1 . . . . 64 THR HG2 . 16472 1 520 . 1 1 64 64 THR CA C 13 59.221 0.400 . 1 . . . . 64 THR CA . 16472 1 521 . 1 1 64 64 THR CB C 13 70.186 0.400 . 1 . . . . 64 THR CB . 16472 1 522 . 1 1 64 64 THR CG2 C 13 21.653 0.400 . 1 . . . . 64 THR CG2 . 16472 1 523 . 1 1 64 64 THR N N 15 112.670 0.400 . 1 . . . . 64 THR N . 16472 1 524 . 1 1 65 65 PRO HA H 1 4.586 0.020 . 1 . . . . 65 PRO HA . 16472 1 525 . 1 1 65 65 PRO HB2 H 1 2.173 0.020 . 2 . . . . 65 PRO HB2 . 16472 1 526 . 1 1 65 65 PRO HB3 H 1 1.863 0.020 . 2 . . . . 65 PRO HB3 . 16472 1 527 . 1 1 65 65 PRO HD2 H 1 3.767 0.020 . 2 . . . . 65 PRO HD2 . 16472 1 528 . 1 1 65 65 PRO HD3 H 1 3.559 0.020 . 2 . . . . 65 PRO HD3 . 16472 1 529 . 1 1 65 65 PRO HG2 H 1 1.961 0.020 . 2 . . . . 65 PRO HG2 . 16472 1 530 . 1 1 65 65 PRO HG3 H 1 1.869 0.020 . 2 . . . . 65 PRO HG3 . 16472 1 531 . 1 1 65 65 PRO CA C 13 61.382 0.400 . 1 . . . . 65 PRO CA . 16472 1 532 . 1 1 65 65 PRO CB C 13 30.686 0.400 . 1 . . . . 65 PRO CB . 16472 1 533 . 1 1 65 65 PRO CD C 13 50.356 0.400 . 1 . . . . 65 PRO CD . 16472 1 534 . 1 1 65 65 PRO CG C 13 27.211 0.400 . 1 . . . . 65 PRO CG . 16472 1 535 . 1 1 66 66 PRO HA H 1 4.731 0.020 . 1 . . . . 66 PRO HA . 16472 1 536 . 1 1 66 66 PRO HB2 H 1 2.345 0.020 . 2 . . . . 66 PRO HB2 . 16472 1 537 . 1 1 66 66 PRO HB3 H 1 1.948 0.020 . 2 . . . . 66 PRO HB3 . 16472 1 538 . 1 1 66 66 PRO HD2 H 1 3.815 0.020 . 2 . . . . 66 PRO HD2 . 16472 1 539 . 1 1 66 66 PRO HD3 H 1 3.680 0.020 . 2 . . . . 66 PRO HD3 . 16472 1 540 . 1 1 66 66 PRO HG2 H 1 2.034 0.020 . 2 . . . . 66 PRO HG2 . 16472 1 541 . 1 1 66 66 PRO HG3 H 1 2.034 0.020 . 2 . . . . 66 PRO HG3 . 16472 1 542 . 1 1 66 66 PRO CB C 13 30.675 0.400 . 1 . . . . 66 PRO CB . 16472 1 543 . 1 1 66 66 PRO CD C 13 50.439 0.400 . 1 . . . . 66 PRO CD . 16472 1 544 . 1 1 66 66 PRO CG C 13 27.345 0.400 . 1 . . . . 66 PRO CG . 16472 1 545 . 1 1 67 67 PRO HA H 1 4.414 0.020 . 1 . . . . 67 PRO HA . 16472 1 546 . 1 1 67 67 PRO HB2 H 1 2.310 0.020 . 2 . . . . 67 PRO HB2 . 16472 1 547 . 1 1 67 67 PRO HB3 H 1 1.933 0.020 . 2 . . . . 67 PRO HB3 . 16472 1 548 . 1 1 67 67 PRO HD2 H 1 3.817 0.020 . 2 . . . . 67 PRO HD2 . 16472 1 549 . 1 1 67 67 PRO HD3 H 1 3.680 0.020 . 2 . . . . 67 PRO HD3 . 16472 1 550 . 1 1 67 67 PRO CA C 13 63.526 0.400 . 1 . . . . 67 PRO CA . 16472 1 551 . 1 1 67 67 PRO CB C 13 31.883 0.400 . 1 . . . . 67 PRO CB . 16472 1 552 . 1 1 68 68 SER H H 1 8.134 0.020 . 1 . . . . 68 SER H . 16472 1 553 . 1 1 68 68 SER HA H 1 4.475 0.020 . 1 . . . . 68 SER HA . 16472 1 554 . 1 1 68 68 SER HB2 H 1 3.971 0.020 . 2 . . . . 68 SER HB2 . 16472 1 555 . 1 1 68 68 SER HB3 H 1 3.817 0.020 . 2 . . . . 68 SER HB3 . 16472 1 556 . 1 1 68 68 SER N N 15 114.474 0.400 . 1 . . . . 68 SER N . 16472 1 557 . 1 1 69 69 ALA H H 1 8.328 0.020 . 1 . . . . 69 ALA H . 16472 1 558 . 1 1 69 69 ALA HA H 1 4.306 0.020 . 1 . . . . 69 ALA HA . 16472 1 559 . 1 1 69 69 ALA HB1 H 1 1.441 0.020 . 1 . . . . 69 ALA HB . 16472 1 560 . 1 1 69 69 ALA HB2 H 1 1.441 0.020 . 1 . . . . 69 ALA HB . 16472 1 561 . 1 1 69 69 ALA HB3 H 1 1.441 0.020 . 1 . . . . 69 ALA HB . 16472 1 562 . 1 1 69 69 ALA CA C 13 52.992 0.400 . 1 . . . . 69 ALA CA . 16472 1 563 . 1 1 69 69 ALA CB C 13 19.106 0.400 . 1 . . . . 69 ALA CB . 16472 1 564 . 1 1 69 69 ALA N N 15 125.582 0.400 . 1 . . . . 69 ALA N . 16472 1 565 . 1 1 70 70 GLN H H 1 8.250 0.020 . 1 . . . . 70 GLN H . 16472 1 566 . 1 1 70 70 GLN HA H 1 4.110 0.020 . 1 . . . . 70 GLN HA . 16472 1 567 . 1 1 70 70 GLN HB2 H 1 2.163 0.020 . 2 . . . . 70 GLN HB2 . 16472 1 568 . 1 1 70 70 GLN HB3 H 1 1.684 0.020 . 2 . . . . 70 GLN HB3 . 16472 1 569 . 1 1 70 70 GLN HG2 H 1 2.579 0.020 . 2 . . . . 70 GLN HG2 . 16472 1 570 . 1 1 70 70 GLN HG3 H 1 2.234 0.020 . 2 . . . . 70 GLN HG3 . 16472 1 571 . 1 1 70 70 GLN CA C 13 58.617 0.400 . 1 . . . . 70 GLN CA . 16472 1 572 . 1 1 70 70 GLN CB C 13 28.484 0.400 . 1 . . . . 70 GLN CB . 16472 1 573 . 1 1 70 70 GLN CG C 13 33.377 0.400 . 1 . . . . 70 GLN CG . 16472 1 574 . 1 1 70 70 GLN N N 15 117.755 0.400 . 1 . . . . 70 GLN N . 16472 1 575 . 1 1 71 71 PRO HA H 1 4.390 0.020 . 1 . . . . 71 PRO HA . 16472 1 576 . 1 1 71 71 PRO HB2 H 1 2.282 0.020 . 2 . . . . 71 PRO HB2 . 16472 1 577 . 1 1 71 71 PRO HB3 H 1 1.844 0.020 . 2 . . . . 71 PRO HB3 . 16472 1 578 . 1 1 71 71 PRO CA C 13 63.503 0.400 . 1 . . . . 71 PRO CA . 16472 1 579 . 1 1 71 71 PRO CB C 13 32.037 0.400 . 1 . . . . 71 PRO CB . 16472 1 580 . 1 1 72 72 TRP H H 1 8.286 0.020 . 1 . . . . 72 TRP H . 16472 1 581 . 1 1 72 72 TRP HA H 1 4.694 0.020 . 1 . . . . 72 TRP HA . 16472 1 582 . 1 1 72 72 TRP HB2 H 1 3.293 0.020 . 2 . . . . 72 TRP HB2 . 16472 1 583 . 1 1 72 72 TRP HB3 H 1 3.202 0.020 . 2 . . . . 72 TRP HB3 . 16472 1 584 . 1 1 72 72 TRP HD1 H 1 7.059 0.020 . 1 . . . . 72 TRP HD1 . 16472 1 585 . 1 1 72 72 TRP HE1 H 1 9.883 0.020 . 1 . . . . 72 TRP HE1 . 16472 1 586 . 1 1 72 72 TRP HE3 H 1 7.701 0.020 . 1 . . . . 72 TRP HE3 . 16472 1 587 . 1 1 72 72 TRP HZ2 H 1 7.480 0.020 . 1 . . . . 72 TRP HZ2 . 16472 1 588 . 1 1 72 72 TRP CA C 13 56.942 0.400 . 1 . . . . 72 TRP CA . 16472 1 589 . 1 1 72 72 TRP CB C 13 29.922 0.400 . 1 . . . . 72 TRP CB . 16472 1 590 . 1 1 72 72 TRP N N 15 122.354 0.400 . 1 . . . . 72 TRP N . 16472 1 591 . 1 1 72 72 TRP NE1 N 15 128.968 0.400 . 1 . . . . 72 TRP NE1 . 16472 1 592 . 1 1 73 73 LYS H H 1 8.024 0.020 . 1 . . . . 73 LYS H . 16472 1 593 . 1 1 73 73 LYS HA H 1 4.317 0.020 . 1 . . . . 73 LYS HA . 16472 1 594 . 1 1 73 73 LYS HB2 H 1 1.734 0.020 . 2 . . . . 73 LYS HB2 . 16472 1 595 . 1 1 73 73 LYS HB3 H 1 1.504 0.020 . 2 . . . . 73 LYS HB3 . 16472 1 596 . 1 1 73 73 LYS HD2 H 1 1.592 0.020 . 2 . . . . 73 LYS HD2 . 16472 1 597 . 1 1 73 73 LYS HD3 H 1 1.592 0.020 . 2 . . . . 73 LYS HD3 . 16472 1 598 . 1 1 73 73 LYS HE2 H 1 2.922 0.020 . 2 . . . . 73 LYS HE2 . 16472 1 599 . 1 1 73 73 LYS HE3 H 1 2.922 0.020 . 2 . . . . 73 LYS HE3 . 16472 1 600 . 1 1 73 73 LYS HG2 H 1 1.278 0.020 . 2 . . . . 73 LYS HG2 . 16472 1 601 . 1 1 73 73 LYS HG3 H 1 1.233 0.020 . 2 . . . . 73 LYS HG3 . 16472 1 602 . 1 1 73 73 LYS CA C 13 55.595 0.400 . 1 . . . . 73 LYS CA . 16472 1 603 . 1 1 73 73 LYS CB C 13 32.803 0.400 . 1 . . . . 73 LYS CB . 16472 1 604 . 1 1 73 73 LYS CD C 13 28.823 0.400 . 1 . . . . 73 LYS CD . 16472 1 605 . 1 1 73 73 LYS CE C 13 41.944 0.400 . 1 . . . . 73 LYS CE . 16472 1 606 . 1 1 73 73 LYS CG C 13 24.504 0.400 . 1 . . . . 73 LYS CG . 16472 1 607 . 1 1 73 73 LYS N N 15 125.130 0.400 . 1 . . . . 73 LYS N . 16472 1 608 . 1 1 74 74 GLY H H 1 6.991 0.020 . 1 . . . . 74 GLY H . 16472 1 609 . 1 1 74 74 GLY HA2 H 1 3.835 0.020 . 2 . . . . 74 GLY HA2 . 16472 1 610 . 1 1 74 74 GLY HA3 H 1 3.681 0.020 . 2 . . . . 74 GLY HA3 . 16472 1 611 . 1 1 74 74 GLY CA C 13 44.252 0.400 . 1 . . . . 74 GLY CA . 16472 1 612 . 1 1 74 74 GLY N N 15 108.119 0.400 . 1 . . . . 74 GLY N . 16472 1 613 . 1 1 75 75 ASP H H 1 8.407 0.020 . 1 . . . . 75 ASP H . 16472 1 614 . 1 1 75 75 ASP HA H 1 4.851 0.020 . 1 . . . . 75 ASP HA . 16472 1 615 . 1 1 75 75 ASP HB2 H 1 2.809 0.020 . 2 . . . . 75 ASP HB2 . 16472 1 616 . 1 1 75 75 ASP HB3 H 1 2.665 0.020 . 2 . . . . 75 ASP HB3 . 16472 1 617 . 1 1 75 75 ASP CA C 13 52.318 0.400 . 1 . . . . 75 ASP CA . 16472 1 618 . 1 1 75 75 ASP CB C 13 41.746 0.400 . 1 . . . . 75 ASP CB . 16472 1 619 . 1 1 75 75 ASP N N 15 121.757 0.400 . 1 . . . . 75 ASP N . 16472 1 620 . 1 1 76 76 PRO HA H 1 4.316 0.020 . 1 . . . . 76 PRO HA . 16472 1 621 . 1 1 76 76 PRO HB2 H 1 2.341 0.020 . 2 . . . . 76 PRO HB2 . 16472 1 622 . 1 1 76 76 PRO HB3 H 1 1.983 0.020 . 2 . . . . 76 PRO HB3 . 16472 1 623 . 1 1 76 76 PRO HD2 H 1 4.021 0.020 . 2 . . . . 76 PRO HD2 . 16472 1 624 . 1 1 76 76 PRO HD3 H 1 3.931 0.020 . 2 . . . . 76 PRO HD3 . 16472 1 625 . 1 1 76 76 PRO HG2 H 1 2.081 0.020 . 2 . . . . 76 PRO HG2 . 16472 1 626 . 1 1 76 76 PRO HG3 H 1 2.081 0.020 . 2 . . . . 76 PRO HG3 . 16472 1 627 . 1 1 76 76 PRO CA C 13 64.848 0.400 . 1 . . . . 76 PRO CA . 16472 1 628 . 1 1 76 76 PRO CB C 13 32.258 0.400 . 1 . . . . 76 PRO CB . 16472 1 629 . 1 1 76 76 PRO CD C 13 51.177 0.400 . 1 . . . . 76 PRO CD . 16472 1 630 . 1 1 76 76 PRO CG C 13 27.385 0.400 . 1 . . . . 76 PRO CG . 16472 1 631 . 1 1 77 77 VAL H H 1 8.283 0.020 . 1 . . . . 77 VAL H . 16472 1 632 . 1 1 77 77 VAL HA H 1 3.895 0.020 . 1 . . . . 77 VAL HA . 16472 1 633 . 1 1 77 77 VAL HB H 1 2.175 0.020 . 1 . . . . 77 VAL HB . 16472 1 634 . 1 1 77 77 VAL HG11 H 1 1.024 0.020 . 2 . . . . 77 VAL HG1 . 16472 1 635 . 1 1 77 77 VAL HG12 H 1 1.024 0.020 . 2 . . . . 77 VAL HG1 . 16472 1 636 . 1 1 77 77 VAL HG13 H 1 1.024 0.020 . 2 . . . . 77 VAL HG1 . 16472 1 637 . 1 1 77 77 VAL HG21 H 1 0.958 0.020 . 2 . . . . 77 VAL HG2 . 16472 1 638 . 1 1 77 77 VAL HG22 H 1 0.958 0.020 . 2 . . . . 77 VAL HG2 . 16472 1 639 . 1 1 77 77 VAL HG23 H 1 0.958 0.020 . 2 . . . . 77 VAL HG2 . 16472 1 640 . 1 1 77 77 VAL CA C 13 64.531 0.400 . 1 . . . . 77 VAL CA . 16472 1 641 . 1 1 77 77 VAL CB C 13 31.665 0.400 . 1 . . . . 77 VAL CB . 16472 1 642 . 1 1 77 77 VAL CG1 C 13 21.950 0.400 . 1 . . . . 77 VAL CG1 . 16472 1 643 . 1 1 77 77 VAL CG2 C 13 21.467 0.400 . 1 . . . . 77 VAL CG2 . 16472 1 644 . 1 1 77 77 VAL N N 15 118.233 0.400 . 1 . . . . 77 VAL N . 16472 1 645 . 1 1 78 78 GLU H H 1 8.022 0.020 . 1 . . . . 78 GLU H . 16472 1 646 . 1 1 78 78 GLU HA H 1 4.075 0.020 . 1 . . . . 78 GLU HA . 16472 1 647 . 1 1 78 78 GLU HB2 H 1 2.266 0.020 . 2 . . . . 78 GLU HB2 . 16472 1 648 . 1 1 78 78 GLU HB3 H 1 2.191 0.020 . 2 . . . . 78 GLU HB3 . 16472 1 649 . 1 1 78 78 GLU HG2 H 1 2.481 0.020 . 2 . . . . 78 GLU HG2 . 16472 1 650 . 1 1 78 78 GLU HG3 H 1 2.295 0.020 . 2 . . . . 78 GLU HG3 . 16472 1 651 . 1 1 78 78 GLU CA C 13 58.250 0.400 . 1 . . . . 78 GLU CA . 16472 1 652 . 1 1 78 78 GLU CB C 13 29.719 0.400 . 1 . . . . 78 GLU CB . 16472 1 653 . 1 1 78 78 GLU CG C 13 37.031 0.400 . 1 . . . . 78 GLU CG . 16472 1 654 . 1 1 78 78 GLU N N 15 119.573 0.400 . 1 . . . . 78 GLU N . 16472 1 655 . 1 1 79 79 GLN H H 1 7.489 0.020 . 1 . . . . 79 GLN H . 16472 1 656 . 1 1 79 79 GLN HA H 1 3.879 0.020 . 1 . . . . 79 GLN HA . 16472 1 657 . 1 1 79 79 GLN HB2 H 1 1.840 0.020 . 2 . . . . 79 GLN HB2 . 16472 1 658 . 1 1 79 79 GLN HB3 H 1 1.559 0.020 . 2 . . . . 79 GLN HB3 . 16472 1 659 . 1 1 79 79 GLN HG2 H 1 1.926 0.020 . 2 . . . . 79 GLN HG2 . 16472 1 660 . 1 1 79 79 GLN HG3 H 1 1.839 0.020 . 2 . . . . 79 GLN HG3 . 16472 1 661 . 1 1 79 79 GLN CA C 13 56.379 0.400 . 1 . . . . 79 GLN CA . 16472 1 662 . 1 1 79 79 GLN CB C 13 28.833 0.400 . 1 . . . . 79 GLN CB . 16472 1 663 . 1 1 79 79 GLN CG C 13 33.733 0.400 . 1 . . . . 79 GLN CG . 16472 1 664 . 1 1 79 79 GLN N N 15 115.345 0.400 . 1 . . . . 79 GLN N . 16472 1 665 . 1 1 80 80 LEU H H 1 7.590 0.020 . 1 . . . . 80 LEU H . 16472 1 666 . 1 1 80 80 LEU HA H 1 4.177 0.020 . 1 . . . . 80 LEU HA . 16472 1 667 . 1 1 80 80 LEU HB2 H 1 1.847 0.020 . 2 . . . . 80 LEU HB2 . 16472 1 668 . 1 1 80 80 LEU HB3 H 1 1.781 0.020 . 2 . . . . 80 LEU HB3 . 16472 1 669 . 1 1 80 80 LEU HD11 H 1 0.956 0.020 . 2 . . . . 80 LEU HD1 . 16472 1 670 . 1 1 80 80 LEU HD12 H 1 0.956 0.020 . 2 . . . . 80 LEU HD1 . 16472 1 671 . 1 1 80 80 LEU HD13 H 1 0.956 0.020 . 2 . . . . 80 LEU HD1 . 16472 1 672 . 1 1 80 80 LEU HD21 H 1 0.668 0.020 . 2 . . . . 80 LEU HD2 . 16472 1 673 . 1 1 80 80 LEU HD22 H 1 0.668 0.020 . 2 . . . . 80 LEU HD2 . 16472 1 674 . 1 1 80 80 LEU HD23 H 1 0.668 0.020 . 2 . . . . 80 LEU HD2 . 16472 1 675 . 1 1 80 80 LEU HG H 1 1.634 0.020 . 1 . . . . 80 LEU HG . 16472 1 676 . 1 1 80 80 LEU CA C 13 54.915 0.400 . 1 . . . . 80 LEU CA . 16472 1 677 . 1 1 80 80 LEU CB C 13 41.634 0.400 . 1 . . . . 80 LEU CB . 16472 1 678 . 1 1 80 80 LEU CD1 C 13 25.560 0.400 . 1 . . . . 80 LEU CD1 . 16472 1 679 . 1 1 80 80 LEU CD2 C 13 22.526 0.400 . 1 . . . . 80 LEU CD2 . 16472 1 680 . 1 1 80 80 LEU CG C 13 26.927 0.400 . 1 . . . . 80 LEU CG . 16472 1 681 . 1 1 80 80 LEU N N 15 116.645 0.400 . 1 . . . . 80 LEU N . 16472 1 682 . 1 1 81 81 VAL H H 1 7.352 0.020 . 1 . . . . 81 VAL H . 16472 1 683 . 1 1 81 81 VAL HA H 1 4.685 0.020 . 1 . . . . 81 VAL HA . 16472 1 684 . 1 1 81 81 VAL HB H 1 2.057 0.020 . 1 . . . . 81 VAL HB . 16472 1 685 . 1 1 81 81 VAL HG11 H 1 0.822 0.020 . 2 . . . . 81 VAL HG1 . 16472 1 686 . 1 1 81 81 VAL HG12 H 1 0.822 0.020 . 2 . . . . 81 VAL HG1 . 16472 1 687 . 1 1 81 81 VAL HG13 H 1 0.822 0.020 . 2 . . . . 81 VAL HG1 . 16472 1 688 . 1 1 81 81 VAL HG21 H 1 0.481 0.020 . 2 . . . . 81 VAL HG2 . 16472 1 689 . 1 1 81 81 VAL HG22 H 1 0.481 0.020 . 2 . . . . 81 VAL HG2 . 16472 1 690 . 1 1 81 81 VAL HG23 H 1 0.481 0.020 . 2 . . . . 81 VAL HG2 . 16472 1 691 . 1 1 81 81 VAL CA C 13 61.356 0.400 . 1 . . . . 81 VAL CA . 16472 1 692 . 1 1 81 81 VAL CB C 13 32.120 0.400 . 1 . . . . 81 VAL CB . 16472 1 693 . 1 1 81 81 VAL CG1 C 13 21.257 0.400 . 1 . . . . 81 VAL CG1 . 16472 1 694 . 1 1 81 81 VAL CG2 C 13 22.201 0.400 . 1 . . . . 81 VAL CG2 . 16472 1 695 . 1 1 81 81 VAL N N 15 118.378 0.400 . 1 . . . . 81 VAL N . 16472 1 696 . 1 1 82 82 ARG H H 1 9.140 0.020 . 1 . . . . 82 ARG H . 16472 1 697 . 1 1 82 82 ARG HA H 1 4.488 0.020 . 1 . . . . 82 ARG HA . 16472 1 698 . 1 1 82 82 ARG HB2 H 1 1.797 0.020 . 2 . . . . 82 ARG HB2 . 16472 1 699 . 1 1 82 82 ARG HB3 H 1 1.610 0.020 . 2 . . . . 82 ARG HB3 . 16472 1 700 . 1 1 82 82 ARG HD2 H 1 3.155 0.020 . 2 . . . . 82 ARG HD2 . 16472 1 701 . 1 1 82 82 ARG HD3 H 1 3.155 0.020 . 2 . . . . 82 ARG HD3 . 16472 1 702 . 1 1 82 82 ARG HG2 H 1 1.730 0.020 . 2 . . . . 82 ARG HG2 . 16472 1 703 . 1 1 82 82 ARG HG3 H 1 1.608 0.020 . 2 . . . . 82 ARG HG3 . 16472 1 704 . 1 1 82 82 ARG CA C 13 52.749 0.400 . 1 . . . . 82 ARG CA . 16472 1 705 . 1 1 82 82 ARG CB C 13 32.367 0.400 . 1 . . . . 82 ARG CB . 16472 1 706 . 1 1 82 82 ARG CD C 13 42.220 0.400 . 1 . . . . 82 ARG CD . 16472 1 707 . 1 1 82 82 ARG CG C 13 26.974 0.400 . 1 . . . . 82 ARG CG . 16472 1 708 . 1 1 82 82 ARG N N 15 125.527 0.400 . 1 . . . . 82 ARG N . 16472 1 709 . 1 1 83 83 HIS H H 1 8.153 0.020 . 1 . . . . 83 HIS H . 16472 1 710 . 1 1 83 83 HIS HA H 1 5.476 0.020 . 1 . . . . 83 HIS HA . 16472 1 711 . 1 1 83 83 HIS HB2 H 1 3.061 0.020 . 2 . . . . 83 HIS HB2 . 16472 1 712 . 1 1 83 83 HIS HB3 H 1 2.724 0.020 . 2 . . . . 83 HIS HB3 . 16472 1 713 . 1 1 83 83 HIS HD2 H 1 7.051 0.020 . 1 . . . . 83 HIS HD2 . 16472 1 714 . 1 1 83 83 HIS HE1 H 1 7.272 0.020 . 1 . . . . 83 HIS HE1 . 16472 1 715 . 1 1 83 83 HIS CA C 13 55.363 0.400 . 1 . . . . 83 HIS CA . 16472 1 716 . 1 1 83 83 HIS CB C 13 33.025 0.400 . 1 . . . . 83 HIS CB . 16472 1 717 . 1 1 83 83 HIS N N 15 117.823 0.400 . 1 . . . . 83 HIS N . 16472 1 718 . 1 1 84 84 PHE H H 1 9.544 0.020 . 1 . . . . 84 PHE H . 16472 1 719 . 1 1 84 84 PHE HA H 1 4.767 0.020 . 1 . . . . 84 PHE HA . 16472 1 720 . 1 1 84 84 PHE HB2 H 1 3.168 0.020 . 2 . . . . 84 PHE HB2 . 16472 1 721 . 1 1 84 84 PHE HB3 H 1 2.650 0.020 . 2 . . . . 84 PHE HB3 . 16472 1 722 . 1 1 84 84 PHE HD1 H 1 7.141 0.020 . 1 . . . . 84 PHE HD1 . 16472 1 723 . 1 1 84 84 PHE HD2 H 1 7.141 0.020 . 1 . . . . 84 PHE HD2 . 16472 1 724 . 1 1 84 84 PHE HE1 H 1 7.030 0.020 . 1 . . . . 84 PHE HE1 . 16472 1 725 . 1 1 84 84 PHE HE2 H 1 7.030 0.020 . 1 . . . . 84 PHE HE2 . 16472 1 726 . 1 1 84 84 PHE CB C 13 42.754 0.400 . 1 . . . . 84 PHE CB . 16472 1 727 . 1 1 84 84 PHE N N 15 121.627 0.400 . 1 . . . . 84 PHE N . 16472 1 728 . 1 1 85 85 LEU H H 1 9.539 0.020 . 1 . . . . 85 LEU H . 16472 1 729 . 1 1 85 85 LEU HA H 1 5.286 0.020 . 1 . . . . 85 LEU HA . 16472 1 730 . 1 1 85 85 LEU HB2 H 1 1.700 0.020 . 2 . . . . 85 LEU HB2 . 16472 1 731 . 1 1 85 85 LEU HB3 H 1 1.529 0.020 . 2 . . . . 85 LEU HB3 . 16472 1 732 . 1 1 85 85 LEU HD11 H 1 0.928 0.020 . 2 . . . . 85 LEU HD1 . 16472 1 733 . 1 1 85 85 LEU HD12 H 1 0.928 0.020 . 2 . . . . 85 LEU HD1 . 16472 1 734 . 1 1 85 85 LEU HD13 H 1 0.928 0.020 . 2 . . . . 85 LEU HD1 . 16472 1 735 . 1 1 85 85 LEU HD21 H 1 0.849 0.020 . 2 . . . . 85 LEU HD2 . 16472 1 736 . 1 1 85 85 LEU HD22 H 1 0.849 0.020 . 2 . . . . 85 LEU HD2 . 16472 1 737 . 1 1 85 85 LEU HD23 H 1 0.849 0.020 . 2 . . . . 85 LEU HD2 . 16472 1 738 . 1 1 85 85 LEU HG H 1 1.641 0.020 . 1 . . . . 85 LEU HG . 16472 1 739 . 1 1 85 85 LEU CA C 13 53.926 0.400 . 1 . . . . 85 LEU CA . 16472 1 740 . 1 1 85 85 LEU CB C 13 45.287 0.400 . 1 . . . . 85 LEU CB . 16472 1 741 . 1 1 85 85 LEU CD1 C 13 25.043 0.400 . 1 . . . . 85 LEU CD1 . 16472 1 742 . 1 1 85 85 LEU CD2 C 13 24.490 0.400 . 1 . . . . 85 LEU CD2 . 16472 1 743 . 1 1 85 85 LEU CG C 13 27.511 0.400 . 1 . . . . 85 LEU CG . 16472 1 744 . 1 1 85 85 LEU N N 15 126.434 0.400 . 1 . . . . 85 LEU N . 16472 1 745 . 1 1 86 86 ILE H H 1 9.243 0.020 . 1 . . . . 86 ILE H . 16472 1 746 . 1 1 86 86 ILE HA H 1 4.784 0.020 . 1 . . . . 86 ILE HA . 16472 1 747 . 1 1 86 86 ILE HB H 1 1.951 0.020 . 1 . . . . 86 ILE HB . 16472 1 748 . 1 1 86 86 ILE HD11 H 1 0.653 0.020 . 1 . . . . 86 ILE HD1 . 16472 1 749 . 1 1 86 86 ILE HD12 H 1 0.653 0.020 . 1 . . . . 86 ILE HD1 . 16472 1 750 . 1 1 86 86 ILE HD13 H 1 0.653 0.020 . 1 . . . . 86 ILE HD1 . 16472 1 751 . 1 1 86 86 ILE HG12 H 1 1.559 0.020 . 2 . . . . 86 ILE HG12 . 16472 1 752 . 1 1 86 86 ILE HG13 H 1 1.559 0.020 . 2 . . . . 86 ILE HG13 . 16472 1 753 . 1 1 86 86 ILE HG21 H 1 0.846 0.020 . 1 . . . . 86 ILE HG2 . 16472 1 754 . 1 1 86 86 ILE HG22 H 1 0.846 0.020 . 1 . . . . 86 ILE HG2 . 16472 1 755 . 1 1 86 86 ILE HG23 H 1 0.846 0.020 . 1 . . . . 86 ILE HG2 . 16472 1 756 . 1 1 86 86 ILE CB C 13 40.316 0.400 . 1 . . . . 86 ILE CB . 16472 1 757 . 1 1 86 86 ILE CD1 C 13 14.869 0.400 . 1 . . . . 86 ILE CD1 . 16472 1 758 . 1 1 86 86 ILE CG1 C 13 27.881 0.400 . 1 . . . . 86 ILE CG1 . 16472 1 759 . 1 1 86 86 ILE CG2 C 13 18.630 0.400 . 1 . . . . 86 ILE CG2 . 16472 1 760 . 1 1 86 86 ILE N N 15 123.192 0.400 . 1 . . . . 86 ILE N . 16472 1 761 . 1 1 87 87 GLU H H 1 9.052 0.020 . 1 . . . . 87 GLU H . 16472 1 762 . 1 1 87 87 GLU HA H 1 5.027 0.020 . 1 . . . . 87 GLU HA . 16472 1 763 . 1 1 87 87 GLU HB2 H 1 2.204 0.020 . 2 . . . . 87 GLU HB2 . 16472 1 764 . 1 1 87 87 GLU HB3 H 1 2.046 0.020 . 2 . . . . 87 GLU HB3 . 16472 1 765 . 1 1 87 87 GLU HG2 H 1 2.282 0.020 . 2 . . . . 87 GLU HG2 . 16472 1 766 . 1 1 87 87 GLU HG3 H 1 2.234 0.020 . 2 . . . . 87 GLU HG3 . 16472 1 767 . 1 1 87 87 GLU CA C 13 54.424 0.400 . 1 . . . . 87 GLU CA . 16472 1 768 . 1 1 87 87 GLU CB C 13 33.317 0.400 . 1 . . . . 87 GLU CB . 16472 1 769 . 1 1 87 87 GLU CG C 13 36.653 0.400 . 1 . . . . 87 GLU CG . 16472 1 770 . 1 1 87 87 GLU N N 15 125.035 0.400 . 1 . . . . 87 GLU N . 16472 1 771 . 1 1 88 88 THR H H 1 8.453 0.020 . 1 . . . . 88 THR H . 16472 1 772 . 1 1 88 88 THR HA H 1 5.324 0.020 . 1 . . . . 88 THR HA . 16472 1 773 . 1 1 88 88 THR HB H 1 4.186 0.020 . 1 . . . . 88 THR HB . 16472 1 774 . 1 1 88 88 THR HG21 H 1 1.337 0.020 . 1 . . . . 88 THR HG2 . 16472 1 775 . 1 1 88 88 THR HG22 H 1 1.337 0.020 . 1 . . . . 88 THR HG2 . 16472 1 776 . 1 1 88 88 THR HG23 H 1 1.337 0.020 . 1 . . . . 88 THR HG2 . 16472 1 777 . 1 1 88 88 THR CA C 13 60.626 0.400 . 1 . . . . 88 THR CA . 16472 1 778 . 1 1 88 88 THR CB C 13 70.965 0.400 . 1 . . . . 88 THR CB . 16472 1 779 . 1 1 88 88 THR CG2 C 13 21.664 0.400 . 1 . . . . 88 THR CG2 . 16472 1 780 . 1 1 88 88 THR N N 15 114.058 0.400 . 1 . . . . 88 THR N . 16472 1 781 . 1 1 89 89 GLY H H 1 8.576 0.020 . 1 . . . . 89 GLY H . 16472 1 782 . 1 1 89 89 GLY HA2 H 1 4.390 0.020 . 2 . . . . 89 GLY HA2 . 16472 1 783 . 1 1 89 89 GLY HA3 H 1 4.292 0.020 . 2 . . . . 89 GLY HA3 . 16472 1 784 . 1 1 89 89 GLY CA C 13 45.397 0.400 . 1 . . . . 89 GLY CA . 16472 1 785 . 1 1 89 89 GLY N N 15 113.363 0.400 . 1 . . . . 89 GLY N . 16472 1 786 . 1 1 90 90 PRO HA H 1 4.314 0.020 . 1 . . . . 90 PRO HA . 16472 1 787 . 1 1 90 90 PRO HB2 H 1 2.387 0.020 . 2 . . . . 90 PRO HB2 . 16472 1 788 . 1 1 90 90 PRO HB3 H 1 1.852 0.020 . 2 . . . . 90 PRO HB3 . 16472 1 789 . 1 1 90 90 PRO HD2 H 1 3.753 0.020 . 2 . . . . 90 PRO HD2 . 16472 1 790 . 1 1 90 90 PRO HD3 H 1 3.617 0.020 . 2 . . . . 90 PRO HD3 . 16472 1 791 . 1 1 90 90 PRO HG2 H 1 2.026 0.020 . 2 . . . . 90 PRO HG2 . 16472 1 792 . 1 1 90 90 PRO HG3 H 1 2.026 0.020 . 2 . . . . 90 PRO HG3 . 16472 1 793 . 1 1 90 90 PRO CA C 13 64.935 0.400 . 1 . . . . 90 PRO CA . 16472 1 794 . 1 1 90 90 PRO CB C 13 32.234 0.400 . 1 . . . . 90 PRO CB . 16472 1 795 . 1 1 90 90 PRO CD C 13 49.565 0.400 . 1 . . . . 90 PRO CD . 16472 1 796 . 1 1 90 90 PRO CG C 13 27.320 0.400 . 1 . . . . 90 PRO CG . 16472 1 797 . 1 1 91 91 LYS H H 1 8.252 0.020 . 1 . . . . 91 LYS H . 16472 1 798 . 1 1 91 91 LYS HA H 1 4.024 0.020 . 1 . . . . 91 LYS HA . 16472 1 799 . 1 1 91 91 LYS HB2 H 1 1.023 0.020 . 2 . . . . 91 LYS HB2 . 16472 1 800 . 1 1 91 91 LYS HB3 H 1 0.730 0.020 . 2 . . . . 91 LYS HB3 . 16472 1 801 . 1 1 91 91 LYS HD2 H 1 1.322 0.020 . 2 . . . . 91 LYS HD2 . 16472 1 802 . 1 1 91 91 LYS HD3 H 1 1.322 0.020 . 2 . . . . 91 LYS HD3 . 16472 1 803 . 1 1 91 91 LYS HE2 H 1 2.774 0.020 . 2 . . . . 91 LYS HE2 . 16472 1 804 . 1 1 91 91 LYS HE3 H 1 2.774 0.020 . 2 . . . . 91 LYS HE3 . 16472 1 805 . 1 1 91 91 LYS HG2 H 1 1.126 0.020 . 2 . . . . 91 LYS HG2 . 16472 1 806 . 1 1 91 91 LYS HG3 H 1 1.045 0.020 . 2 . . . . 91 LYS HG3 . 16472 1 807 . 1 1 91 91 LYS CA C 13 56.486 0.400 . 1 . . . . 91 LYS CA . 16472 1 808 . 1 1 91 91 LYS CB C 13 31.476 0.400 . 1 . . . . 91 LYS CB . 16472 1 809 . 1 1 91 91 LYS CD C 13 28.851 0.400 . 1 . . . . 91 LYS CD . 16472 1 810 . 1 1 91 91 LYS CE C 13 41.807 0.400 . 1 . . . . 91 LYS CE . 16472 1 811 . 1 1 91 91 LYS CG C 13 25.504 0.400 . 1 . . . . 91 LYS CG . 16472 1 812 . 1 1 91 91 LYS N N 15 114.473 0.400 . 1 . . . . 91 LYS N . 16472 1 813 . 1 1 92 92 GLY H H 1 7.782 0.020 . 1 . . . . 92 GLY H . 16472 1 814 . 1 1 92 92 GLY HA2 H 1 4.960 0.020 . 2 . . . . 92 GLY HA2 . 16472 1 815 . 1 1 92 92 GLY HA3 H 1 3.807 0.020 . 2 . . . . 92 GLY HA3 . 16472 1 816 . 1 1 92 92 GLY CA C 13 43.850 0.400 . 1 . . . . 92 GLY CA . 16472 1 817 . 1 1 92 92 GLY N N 15 106.941 0.400 . 1 . . . . 92 GLY N . 16472 1 818 . 1 1 93 93 VAL H H 1 9.386 0.020 . 1 . . . . 93 VAL H . 16472 1 819 . 1 1 93 93 VAL HA H 1 5.665 0.020 . 1 . . . . 93 VAL HA . 16472 1 820 . 1 1 93 93 VAL HB H 1 1.905 0.020 . 1 . . . . 93 VAL HB . 16472 1 821 . 1 1 93 93 VAL HG11 H 1 1.012 0.020 . 2 . . . . 93 VAL HG1 . 16472 1 822 . 1 1 93 93 VAL HG12 H 1 1.012 0.020 . 2 . . . . 93 VAL HG1 . 16472 1 823 . 1 1 93 93 VAL HG13 H 1 1.012 0.020 . 2 . . . . 93 VAL HG1 . 16472 1 824 . 1 1 93 93 VAL HG21 H 1 0.805 0.020 . 2 . . . . 93 VAL HG2 . 16472 1 825 . 1 1 93 93 VAL HG22 H 1 0.805 0.020 . 2 . . . . 93 VAL HG2 . 16472 1 826 . 1 1 93 93 VAL HG23 H 1 0.805 0.020 . 2 . . . . 93 VAL HG2 . 16472 1 827 . 1 1 93 93 VAL CA C 13 58.850 0.400 . 1 . . . . 93 VAL CA . 16472 1 828 . 1 1 93 93 VAL CB C 13 34.153 0.400 . 1 . . . . 93 VAL CB . 16472 1 829 . 1 1 93 93 VAL CG1 C 13 22.439 0.400 . 1 . . . . 93 VAL CG1 . 16472 1 830 . 1 1 93 93 VAL CG2 C 13 20.408 0.400 . 1 . . . . 93 VAL CG2 . 16472 1 831 . 1 1 93 93 VAL N N 15 116.840 0.400 . 1 . . . . 93 VAL N . 16472 1 832 . 1 1 94 94 LYS H H 1 8.517 0.020 . 1 . . . . 94 LYS H . 16472 1 833 . 1 1 94 94 LYS HA H 1 4.900 0.020 . 1 . . . . 94 LYS HA . 16472 1 834 . 1 1 94 94 LYS HB2 H 1 1.164 0.020 . 2 . . . . 94 LYS HB2 . 16472 1 835 . 1 1 94 94 LYS HB3 H 1 1.164 0.020 . 2 . . . . 94 LYS HB3 . 16472 1 836 . 1 1 94 94 LYS HD2 H 1 0.803 0.020 . 2 . . . . 94 LYS HD2 . 16472 1 837 . 1 1 94 94 LYS HD3 H 1 0.541 0.020 . 2 . . . . 94 LYS HD3 . 16472 1 838 . 1 1 94 94 LYS HE2 H 1 2.776 0.020 . 2 . . . . 94 LYS HE2 . 16472 1 839 . 1 1 94 94 LYS HE3 H 1 2.551 0.020 . 2 . . . . 94 LYS HE3 . 16472 1 840 . 1 1 94 94 LYS HG2 H 1 0.926 0.020 . 2 . . . . 94 LYS HG2 . 16472 1 841 . 1 1 94 94 LYS HG3 H 1 0.839 0.020 . 2 . . . . 94 LYS HG3 . 16472 1 842 . 1 1 94 94 LYS CA C 13 55.180 0.400 . 1 . . . . 94 LYS CA . 16472 1 843 . 1 1 94 94 LYS CB C 13 37.871 0.400 . 1 . . . . 94 LYS CB . 16472 1 844 . 1 1 94 94 LYS CD C 13 28.502 0.400 . 1 . . . . 94 LYS CD . 16472 1 845 . 1 1 94 94 LYS CE C 13 41.829 0.400 . 1 . . . . 94 LYS CE . 16472 1 846 . 1 1 94 94 LYS CG C 13 22.713 0.400 . 1 . . . . 94 LYS CG . 16472 1 847 . 1 1 94 94 LYS N N 15 121.342 0.400 . 1 . . . . 94 LYS N . 16472 1 848 . 1 1 95 95 ILE H H 1 9.077 0.020 . 1 . . . . 95 ILE H . 16472 1 849 . 1 1 95 95 ILE HA H 1 4.198 0.020 . 1 . . . . 95 ILE HA . 16472 1 850 . 1 1 95 95 ILE HB H 1 1.475 0.020 . 1 . . . . 95 ILE HB . 16472 1 851 . 1 1 95 95 ILE HD11 H 1 0.117 0.020 . 1 . . . . 95 ILE HD1 . 16472 1 852 . 1 1 95 95 ILE HD12 H 1 0.117 0.020 . 1 . . . . 95 ILE HD1 . 16472 1 853 . 1 1 95 95 ILE HD13 H 1 0.117 0.020 . 1 . . . . 95 ILE HD1 . 16472 1 854 . 1 1 95 95 ILE HG12 H 1 1.471 0.020 . 2 . . . . 95 ILE HG12 . 16472 1 855 . 1 1 95 95 ILE HG13 H 1 0.702 0.020 . 2 . . . . 95 ILE HG13 . 16472 1 856 . 1 1 95 95 ILE HG21 H 1 0.892 0.020 . 1 . . . . 95 ILE HG2 . 16472 1 857 . 1 1 95 95 ILE HG22 H 1 0.892 0.020 . 1 . . . . 95 ILE HG2 . 16472 1 858 . 1 1 95 95 ILE HG23 H 1 0.892 0.020 . 1 . . . . 95 ILE HG2 . 16472 1 859 . 1 1 95 95 ILE CA C 13 62.737 0.400 . 1 . . . . 95 ILE CA . 16472 1 860 . 1 1 95 95 ILE CB C 13 37.506 0.400 . 1 . . . . 95 ILE CB . 16472 1 861 . 1 1 95 95 ILE CD1 C 13 12.070 0.400 . 1 . . . . 95 ILE CD1 . 16472 1 862 . 1 1 95 95 ILE CG1 C 13 28.537 0.400 . 1 . . . . 95 ILE CG1 . 16472 1 863 . 1 1 95 95 ILE CG2 C 13 16.954 0.400 . 1 . . . . 95 ILE CG2 . 16472 1 864 . 1 1 95 95 ILE N N 15 126.613 0.400 . 1 . . . . 95 ILE N . 16472 1 865 . 1 1 96 96 LYS H H 1 8.976 0.020 . 1 . . . . 96 LYS H . 16472 1 866 . 1 1 96 96 LYS HA H 1 4.098 0.020 . 1 . . . . 96 LYS HA . 16472 1 867 . 1 1 96 96 LYS HB2 H 1 1.930 0.020 . 2 . . . . 96 LYS HB2 . 16472 1 868 . 1 1 96 96 LYS HB3 H 1 1.643 0.020 . 2 . . . . 96 LYS HB3 . 16472 1 869 . 1 1 96 96 LYS HD2 H 1 1.602 0.020 . 2 . . . . 96 LYS HD2 . 16472 1 870 . 1 1 96 96 LYS HD3 H 1 1.602 0.020 . 2 . . . . 96 LYS HD3 . 16472 1 871 . 1 1 96 96 LYS HE2 H 1 2.919 0.020 . 2 . . . . 96 LYS HE2 . 16472 1 872 . 1 1 96 96 LYS HE3 H 1 2.919 0.020 . 2 . . . . 96 LYS HE3 . 16472 1 873 . 1 1 96 96 LYS HG2 H 1 1.524 0.020 . 2 . . . . 96 LYS HG2 . 16472 1 874 . 1 1 96 96 LYS HG3 H 1 1.377 0.020 . 2 . . . . 96 LYS HG3 . 16472 1 875 . 1 1 96 96 LYS CA C 13 57.414 0.400 . 1 . . . . 96 LYS CA . 16472 1 876 . 1 1 96 96 LYS CB C 13 34.329 0.400 . 1 . . . . 96 LYS CB . 16472 1 877 . 1 1 96 96 LYS CD C 13 29.774 0.400 . 1 . . . . 96 LYS CD . 16472 1 878 . 1 1 96 96 LYS CE C 13 41.677 0.400 . 1 . . . . 96 LYS CE . 16472 1 879 . 1 1 96 96 LYS CG C 13 25.317 0.400 . 1 . . . . 96 LYS CG . 16472 1 880 . 1 1 96 96 LYS N N 15 130.931 0.400 . 1 . . . . 96 LYS N . 16472 1 881 . 1 1 97 97 GLY H H 1 8.786 0.020 . 1 . . . . 97 GLY H . 16472 1 882 . 1 1 97 97 GLY HA2 H 1 4.348 0.020 . 2 . . . . 97 GLY HA2 . 16472 1 883 . 1 1 97 97 GLY HA3 H 1 3.760 0.020 . 2 . . . . 97 GLY HA3 . 16472 1 884 . 1 1 97 97 GLY CA C 13 45.685 0.400 . 1 . . . . 97 GLY CA . 16472 1 885 . 1 1 97 97 GLY N N 15 111.686 0.400 . 1 . . . . 97 GLY N . 16472 1 886 . 1 1 98 98 CYS H H 1 7.539 0.020 . 1 . . . . 98 CYS H . 16472 1 887 . 1 1 98 98 CYS HA H 1 5.107 0.020 . 1 . . . . 98 CYS HA . 16472 1 888 . 1 1 98 98 CYS HB2 H 1 3.028 0.020 . 2 . . . . 98 CYS HB2 . 16472 1 889 . 1 1 98 98 CYS HB3 H 1 2.577 0.020 . 2 . . . . 98 CYS HB3 . 16472 1 890 . 1 1 98 98 CYS CA C 13 55.784 0.400 . 1 . . . . 98 CYS CA . 16472 1 891 . 1 1 98 98 CYS CB C 13 29.665 0.400 . 1 . . . . 98 CYS CB . 16472 1 892 . 1 1 98 98 CYS N N 15 118.791 0.400 . 1 . . . . 98 CYS N . 16472 1 893 . 1 1 99 99 PRO HA H 1 4.452 0.020 . 1 . . . . 99 PRO HA . 16472 1 894 . 1 1 99 99 PRO HB2 H 1 2.399 0.020 . 2 . . . . 99 PRO HB2 . 16472 1 895 . 1 1 99 99 PRO HB3 H 1 2.046 0.020 . 2 . . . . 99 PRO HB3 . 16472 1 896 . 1 1 99 99 PRO HD2 H 1 4.062 0.020 . 2 . . . . 99 PRO HD2 . 16472 1 897 . 1 1 99 99 PRO HD3 H 1 3.920 0.020 . 2 . . . . 99 PRO HD3 . 16472 1 898 . 1 1 99 99 PRO HG2 H 1 2.095 0.020 . 2 . . . . 99 PRO HG2 . 16472 1 899 . 1 1 99 99 PRO HG3 H 1 2.057 0.020 . 2 . . . . 99 PRO HG3 . 16472 1 900 . 1 1 99 99 PRO CA C 13 64.888 0.400 . 1 . . . . 99 PRO CA . 16472 1 901 . 1 1 99 99 PRO CB C 13 32.222 0.400 . 1 . . . . 99 PRO CB . 16472 1 902 . 1 1 99 99 PRO CD C 13 51.953 0.400 . 1 . . . . 99 PRO CD . 16472 1 903 . 1 1 99 99 PRO CG C 13 27.111 0.400 . 1 . . . . 99 PRO CG . 16472 1 904 . 1 1 100 100 SER H H 1 7.784 0.020 . 1 . . . . 100 SER H . 16472 1 905 . 1 1 100 100 SER HA H 1 4.318 0.020 . 1 . . . . 100 SER HA . 16472 1 906 . 1 1 100 100 SER HB2 H 1 3.800 0.020 . 2 . . . . 100 SER HB2 . 16472 1 907 . 1 1 100 100 SER HB3 H 1 3.800 0.020 . 2 . . . . 100 SER HB3 . 16472 1 908 . 1 1 100 100 SER CA C 13 58.602 0.400 . 1 . . . . 100 SER CA . 16472 1 909 . 1 1 100 100 SER CB C 13 62.793 0.400 . 1 . . . . 100 SER CB . 16472 1 910 . 1 1 100 100 SER N N 15 111.499 0.400 . 1 . . . . 100 SER N . 16472 1 911 . 1 1 101 101 GLU H H 1 7.220 0.020 . 1 . . . . 101 GLU H . 16472 1 912 . 1 1 101 101 GLU HA H 1 4.580 0.020 . 1 . . . . 101 GLU HA . 16472 1 913 . 1 1 101 101 GLU HB2 H 1 1.924 0.020 . 2 . . . . 101 GLU HB2 . 16472 1 914 . 1 1 101 101 GLU HB3 H 1 1.863 0.020 . 2 . . . . 101 GLU HB3 . 16472 1 915 . 1 1 101 101 GLU HG2 H 1 2.352 0.020 . 2 . . . . 101 GLU HG2 . 16472 1 916 . 1 1 101 101 GLU HG3 H 1 2.352 0.020 . 2 . . . . 101 GLU HG3 . 16472 1 917 . 1 1 101 101 GLU CB C 13 28.936 0.400 . 1 . . . . 101 GLU CB . 16472 1 918 . 1 1 101 101 GLU CG C 13 33.445 0.400 . 1 . . . . 101 GLU CG . 16472 1 919 . 1 1 101 101 GLU N N 15 122.653 0.400 . 1 . . . . 101 GLU N . 16472 1 920 . 1 1 102 102 PRO HA H 1 4.466 0.020 . 1 . . . . 102 PRO HA . 16472 1 921 . 1 1 102 102 PRO HB2 H 1 1.944 0.020 . 2 . . . . 102 PRO HB2 . 16472 1 922 . 1 1 102 102 PRO HB3 H 1 1.334 0.020 . 2 . . . . 102 PRO HB3 . 16472 1 923 . 1 1 102 102 PRO HG2 H 1 1.713 0.020 . 2 . . . . 102 PRO HG2 . 16472 1 924 . 1 1 102 102 PRO HG3 H 1 1.408 0.020 . 2 . . . . 102 PRO HG3 . 16472 1 925 . 1 1 102 102 PRO CA C 13 61.160 0.400 . 1 . . . . 102 PRO CA . 16472 1 926 . 1 1 102 102 PRO CB C 13 32.380 0.400 . 1 . . . . 102 PRO CB . 16472 1 927 . 1 1 102 102 PRO CG C 13 26.296 0.400 . 1 . . . . 102 PRO CG . 16472 1 928 . 1 1 103 103 TYR H H 1 7.866 0.020 . 1 . . . . 103 TYR H . 16472 1 929 . 1 1 103 103 TYR HA H 1 4.581 0.020 . 1 . . . . 103 TYR HA . 16472 1 930 . 1 1 103 103 TYR HB2 H 1 2.698 0.020 . 2 . . . . 103 TYR HB2 . 16472 1 931 . 1 1 103 103 TYR HB3 H 1 2.553 0.020 . 2 . . . . 103 TYR HB3 . 16472 1 932 . 1 1 103 103 TYR HD1 H 1 6.811 0.020 . 1 . . . . 103 TYR HD1 . 16472 1 933 . 1 1 103 103 TYR HD2 H 1 6.811 0.020 . 1 . . . . 103 TYR HD2 . 16472 1 934 . 1 1 103 103 TYR HE1 H 1 6.702 0.020 . 1 . . . . 103 TYR HE1 . 16472 1 935 . 1 1 103 103 TYR HE2 H 1 6.702 0.020 . 1 . . . . 103 TYR HE2 . 16472 1 936 . 1 1 103 103 TYR CA C 13 58.828 0.400 . 1 . . . . 103 TYR CA . 16472 1 937 . 1 1 103 103 TYR CB C 13 39.878 0.400 . 1 . . . . 103 TYR CB . 16472 1 938 . 1 1 103 103 TYR N N 15 113.915 0.400 . 1 . . . . 103 TYR N . 16472 1 939 . 1 1 104 104 PHE H H 1 9.630 0.020 . 1 . . . . 104 PHE H . 16472 1 940 . 1 1 104 104 PHE HA H 1 4.846 0.020 . 1 . . . . 104 PHE HA . 16472 1 941 . 1 1 104 104 PHE HB2 H 1 3.249 0.020 . 2 . . . . 104 PHE HB2 . 16472 1 942 . 1 1 104 104 PHE HB3 H 1 2.832 0.020 . 2 . . . . 104 PHE HB3 . 16472 1 943 . 1 1 104 104 PHE HD1 H 1 7.431 0.020 . 1 . . . . 104 PHE HD1 . 16472 1 944 . 1 1 104 104 PHE HD2 H 1 7.431 0.020 . 1 . . . . 104 PHE HD2 . 16472 1 945 . 1 1 104 104 PHE HE1 H 1 6.889 0.020 . 1 . . . . 104 PHE HE1 . 16472 1 946 . 1 1 104 104 PHE HE2 H 1 6.889 0.020 . 1 . . . . 104 PHE HE2 . 16472 1 947 . 1 1 104 104 PHE CA C 13 56.876 0.400 . 1 . . . . 104 PHE CA . 16472 1 948 . 1 1 104 104 PHE CB C 13 43.659 0.400 . 1 . . . . 104 PHE CB . 16472 1 949 . 1 1 104 104 PHE N N 15 119.137 0.400 . 1 . . . . 104 PHE N . 16472 1 950 . 1 1 105 105 GLY H H 1 9.359 0.020 . 1 . . . . 105 GLY H . 16472 1 951 . 1 1 105 105 GLY HA2 H 1 4.221 0.020 . 2 . . . . 105 GLY HA2 . 16472 1 952 . 1 1 105 105 GLY HA3 H 1 3.926 0.020 . 2 . . . . 105 GLY HA3 . 16472 1 953 . 1 1 105 105 GLY CA C 13 46.534 0.400 . 1 . . . . 105 GLY CA . 16472 1 954 . 1 1 105 105 GLY N N 15 106.279 0.400 . 1 . . . . 105 GLY N . 16472 1 955 . 1 1 106 106 SER H H 1 7.399 0.020 . 1 . . . . 106 SER H . 16472 1 956 . 1 1 106 106 SER HA H 1 4.708 0.020 . 1 . . . . 106 SER HA . 16472 1 957 . 1 1 106 106 SER HB2 H 1 4.278 0.020 . 2 . . . . 106 SER HB2 . 16472 1 958 . 1 1 106 106 SER HB3 H 1 4.112 0.020 . 2 . . . . 106 SER HB3 . 16472 1 959 . 1 1 106 106 SER CA C 13 56.298 0.400 . 1 . . . . 106 SER CA . 16472 1 960 . 1 1 106 106 SER CB C 13 66.019 0.400 . 1 . . . . 106 SER CB . 16472 1 961 . 1 1 106 106 SER N N 15 107.793 0.400 . 1 . . . . 106 SER N . 16472 1 962 . 1 1 107 107 LEU H H 1 9.371 0.020 . 1 . . . . 107 LEU H . 16472 1 963 . 1 1 107 107 LEU HA H 1 3.895 0.020 . 1 . . . . 107 LEU HA . 16472 1 964 . 1 1 107 107 LEU HB2 H 1 1.717 0.020 . 2 . . . . 107 LEU HB2 . 16472 1 965 . 1 1 107 107 LEU HB3 H 1 1.390 0.020 . 2 . . . . 107 LEU HB3 . 16472 1 966 . 1 1 107 107 LEU HD11 H 1 0.154 0.020 . 2 . . . . 107 LEU HD1 . 16472 1 967 . 1 1 107 107 LEU HD12 H 1 0.154 0.020 . 2 . . . . 107 LEU HD1 . 16472 1 968 . 1 1 107 107 LEU HD13 H 1 0.154 0.020 . 2 . . . . 107 LEU HD1 . 16472 1 969 . 1 1 107 107 LEU HD21 H 1 0.338 0.020 . 2 . . . . 107 LEU HD2 . 16472 1 970 . 1 1 107 107 LEU HD22 H 1 0.338 0.020 . 2 . . . . 107 LEU HD2 . 16472 1 971 . 1 1 107 107 LEU HD23 H 1 0.338 0.020 . 2 . . . . 107 LEU HD2 . 16472 1 972 . 1 1 107 107 LEU HG H 1 1.431 0.020 . 1 . . . . 107 LEU HG . 16472 1 973 . 1 1 107 107 LEU CA C 13 57.797 0.400 . 1 . . . . 107 LEU CA . 16472 1 974 . 1 1 107 107 LEU CB C 13 42.124 0.400 . 1 . . . . 107 LEU CB . 16472 1 975 . 1 1 107 107 LEU CD1 C 13 24.033 0.400 . 1 . . . . 107 LEU CD1 . 16472 1 976 . 1 1 107 107 LEU CD2 C 13 23.267 0.400 . 1 . . . . 107 LEU CD2 . 16472 1 977 . 1 1 107 107 LEU CG C 13 26.430 0.400 . 1 . . . . 107 LEU CG . 16472 1 978 . 1 1 107 107 LEU N N 15 122.177 0.400 . 1 . . . . 107 LEU N . 16472 1 979 . 1 1 108 108 SER H H 1 8.688 0.020 . 1 . . . . 108 SER H . 16472 1 980 . 1 1 108 108 SER HA H 1 4.132 0.020 . 1 . . . . 108 SER HA . 16472 1 981 . 1 1 108 108 SER HB2 H 1 4.020 0.020 . 2 . . . . 108 SER HB2 . 16472 1 982 . 1 1 108 108 SER HB3 H 1 4.020 0.020 . 2 . . . . 108 SER HB3 . 16472 1 983 . 1 1 108 108 SER CA C 13 62.557 0.400 . 1 . . . . 108 SER CA . 16472 1 984 . 1 1 108 108 SER CB C 13 62.470 0.400 . 1 . . . . 108 SER CB . 16472 1 985 . 1 1 108 108 SER N N 15 113.909 0.400 . 1 . . . . 108 SER N . 16472 1 986 . 1 1 109 109 ALA H H 1 7.993 0.020 . 1 . . . . 109 ALA H . 16472 1 987 . 1 1 109 109 ALA HA H 1 4.181 0.020 . 1 . . . . 109 ALA HA . 16472 1 988 . 1 1 109 109 ALA HB1 H 1 1.684 0.020 . 1 . . . . 109 ALA HB . 16472 1 989 . 1 1 109 109 ALA HB2 H 1 1.684 0.020 . 1 . . . . 109 ALA HB . 16472 1 990 . 1 1 109 109 ALA HB3 H 1 1.684 0.020 . 1 . . . . 109 ALA HB . 16472 1 991 . 1 1 109 109 ALA CA C 13 54.936 0.400 . 1 . . . . 109 ALA CA . 16472 1 992 . 1 1 109 109 ALA CB C 13 18.669 0.400 . 1 . . . . 109 ALA CB . 16472 1 993 . 1 1 109 109 ALA N N 15 125.506 0.400 . 1 . . . . 109 ALA N . 16472 1 994 . 1 1 110 110 LEU H H 1 7.353 0.020 . 1 . . . . 110 LEU H . 16472 1 995 . 1 1 110 110 LEU HA H 1 4.369 0.020 . 1 . . . . 110 LEU HA . 16472 1 996 . 1 1 110 110 LEU HD11 H 1 0.881 0.020 . 2 . . . . 110 LEU HD1 . 16472 1 997 . 1 1 110 110 LEU HD12 H 1 0.881 0.020 . 2 . . . . 110 LEU HD1 . 16472 1 998 . 1 1 110 110 LEU HD13 H 1 0.881 0.020 . 2 . . . . 110 LEU HD1 . 16472 1 999 . 1 1 110 110 LEU HD21 H 1 0.190 0.020 . 2 . . . . 110 LEU HD2 . 16472 1 1000 . 1 1 110 110 LEU HD22 H 1 0.190 0.020 . 2 . . . . 110 LEU HD2 . 16472 1 1001 . 1 1 110 110 LEU HD23 H 1 0.190 0.020 . 2 . . . . 110 LEU HD2 . 16472 1 1002 . 1 1 110 110 LEU HG H 1 1.215 0.020 . 1 . . . . 110 LEU HG . 16472 1 1003 . 1 1 110 110 LEU CD1 C 13 28.686 0.400 . 1 . . . . 110 LEU CD1 . 16472 1 1004 . 1 1 110 110 LEU CD2 C 13 22.944 0.400 . 1 . . . . 110 LEU CD2 . 16472 1 1005 . 1 1 110 110 LEU N N 15 121.441 0.400 . 1 . . . . 110 LEU N . 16472 1 1006 . 1 1 111 111 VAL H H 1 8.380 0.020 . 1 . . . . 111 VAL H . 16472 1 1007 . 1 1 111 111 VAL HA H 1 2.768 0.020 . 1 . . . . 111 VAL HA . 16472 1 1008 . 1 1 111 111 VAL HB H 1 1.503 0.020 . 1 . . . . 111 VAL HB . 16472 1 1009 . 1 1 111 111 VAL HG11 H 1 -0.339 0.020 . 2 . . . . 111 VAL HG1 . 16472 1 1010 . 1 1 111 111 VAL HG12 H 1 -0.339 0.020 . 2 . . . . 111 VAL HG1 . 16472 1 1011 . 1 1 111 111 VAL HG13 H 1 -0.339 0.020 . 2 . . . . 111 VAL HG1 . 16472 1 1012 . 1 1 111 111 VAL HG21 H 1 0.053 0.020 . 2 . . . . 111 VAL HG2 . 16472 1 1013 . 1 1 111 111 VAL HG22 H 1 0.053 0.020 . 2 . . . . 111 VAL HG2 . 16472 1 1014 . 1 1 111 111 VAL HG23 H 1 0.053 0.020 . 2 . . . . 111 VAL HG2 . 16472 1 1015 . 1 1 111 111 VAL CA C 13 66.413 0.400 . 1 . . . . 111 VAL CA . 16472 1 1016 . 1 1 111 111 VAL CB C 13 31.451 0.400 . 1 . . . . 111 VAL CB . 16472 1 1017 . 1 1 111 111 VAL CG1 C 13 22.227 0.400 . 1 . . . . 111 VAL CG1 . 16472 1 1018 . 1 1 111 111 VAL CG2 C 13 20.913 0.400 . 1 . . . . 111 VAL CG2 . 16472 1 1019 . 1 1 111 111 VAL N N 15 124.216 0.400 . 1 . . . . 111 VAL N . 16472 1 1020 . 1 1 112 112 SER H H 1 8.330 0.020 . 1 . . . . 112 SER H . 16472 1 1021 . 1 1 112 112 SER HA H 1 4.207 0.020 . 1 . . . . 112 SER HA . 16472 1 1022 . 1 1 112 112 SER HB2 H 1 3.919 0.020 . 2 . . . . 112 SER HB2 . 16472 1 1023 . 1 1 112 112 SER HB3 H 1 3.919 0.020 . 2 . . . . 112 SER HB3 . 16472 1 1024 . 1 1 112 112 SER CB C 13 62.266 0.400 . 1 . . . . 112 SER CB . 16472 1 1025 . 1 1 112 112 SER N N 15 114.952 0.400 . 1 . . . . 112 SER N . 16472 1 1026 . 1 1 114 114 HIS HA H 1 5.318 0.020 . 1 . . . . 114 HIS HA . 16472 1 1027 . 1 1 114 114 HIS HB2 H 1 3.236 0.020 . 2 . . . . 114 HIS HB2 . 16472 1 1028 . 1 1 114 114 HIS HB3 H 1 2.677 0.020 . 2 . . . . 114 HIS HB3 . 16472 1 1029 . 1 1 114 114 HIS CA C 13 57.908 0.400 . 1 . . . . 114 HIS CA . 16472 1 1030 . 1 1 114 114 HIS CB C 13 26.540 0.400 . 1 . . . . 114 HIS CB . 16472 1 1031 . 1 1 115 115 SER H H 1 7.687 0.020 . 1 . . . . 115 SER H . 16472 1 1032 . 1 1 115 115 SER HA H 1 4.956 0.020 . 1 . . . . 115 SER HA . 16472 1 1033 . 1 1 115 115 SER HB2 H 1 4.067 0.020 . 2 . . . . 115 SER HB2 . 16472 1 1034 . 1 1 115 115 SER HB3 H 1 3.742 0.020 . 2 . . . . 115 SER HB3 . 16472 1 1035 . 1 1 115 115 SER CA C 13 59.924 0.400 . 1 . . . . 115 SER CA . 16472 1 1036 . 1 1 115 115 SER CB C 13 63.702 0.400 . 1 . . . . 115 SER CB . 16472 1 1037 . 1 1 115 115 SER N N 15 116.577 0.400 . 1 . . . . 115 SER N . 16472 1 1038 . 1 1 116 116 ILE H H 1 7.092 0.020 . 1 . . . . 116 ILE H . 16472 1 1039 . 1 1 116 116 ILE HA H 1 4.255 0.020 . 1 . . . . 116 ILE HA . 16472 1 1040 . 1 1 116 116 ILE HB H 1 1.900 0.020 . 1 . . . . 116 ILE HB . 16472 1 1041 . 1 1 116 116 ILE HD11 H 1 0.826 0.020 . 1 . . . . 116 ILE HD1 . 16472 1 1042 . 1 1 116 116 ILE HD12 H 1 0.826 0.020 . 1 . . . . 116 ILE HD1 . 16472 1 1043 . 1 1 116 116 ILE HD13 H 1 0.826 0.020 . 1 . . . . 116 ILE HD1 . 16472 1 1044 . 1 1 116 116 ILE HG12 H 1 1.560 0.020 . 2 . . . . 116 ILE HG12 . 16472 1 1045 . 1 1 116 116 ILE HG13 H 1 1.117 0.020 . 2 . . . . 116 ILE HG13 . 16472 1 1046 . 1 1 116 116 ILE HG21 H 1 0.916 0.020 . 1 . . . . 116 ILE HG2 . 16472 1 1047 . 1 1 116 116 ILE HG22 H 1 0.916 0.020 . 1 . . . . 116 ILE HG2 . 16472 1 1048 . 1 1 116 116 ILE HG23 H 1 0.916 0.020 . 1 . . . . 116 ILE HG2 . 16472 1 1049 . 1 1 116 116 ILE CA C 13 62.282 0.400 . 1 . . . . 116 ILE CA . 16472 1 1050 . 1 1 116 116 ILE CB C 13 40.082 0.400 . 1 . . . . 116 ILE CB . 16472 1 1051 . 1 1 116 116 ILE CD1 C 13 13.225 0.400 . 1 . . . . 116 ILE CD1 . 16472 1 1052 . 1 1 116 116 ILE CG1 C 13 27.245 0.400 . 1 . . . . 116 ILE CG1 . 16472 1 1053 . 1 1 116 116 ILE CG2 C 13 17.445 0.400 . 1 . . . . 116 ILE CG2 . 16472 1 1054 . 1 1 116 116 ILE N N 15 119.597 0.400 . 1 . . . . 116 ILE N . 16472 1 1055 . 1 1 117 117 SER H H 1 8.052 0.020 . 1 . . . . 117 SER H . 16472 1 1056 . 1 1 117 117 SER HA H 1 4.804 0.020 . 1 . . . . 117 SER HA . 16472 1 1057 . 1 1 117 117 SER HB2 H 1 3.678 0.020 . 2 . . . . 117 SER HB2 . 16472 1 1058 . 1 1 117 117 SER HB3 H 1 3.645 0.020 . 2 . . . . 117 SER HB3 . 16472 1 1059 . 1 1 117 117 SER CB C 13 65.103 0.400 . 1 . . . . 117 SER CB . 16472 1 1060 . 1 1 117 117 SER N N 15 116.952 0.400 . 1 . . . . 117 SER N . 16472 1 1061 . 1 1 118 118 PRO HA H 1 4.204 0.020 . 1 . . . . 118 PRO HA . 16472 1 1062 . 1 1 118 118 PRO HB2 H 1 1.888 0.020 . 2 . . . . 118 PRO HB2 . 16472 1 1063 . 1 1 118 118 PRO HB3 H 1 1.665 0.020 . 2 . . . . 118 PRO HB3 . 16472 1 1064 . 1 1 118 118 PRO CA C 13 64.884 0.400 . 1 . . . . 118 PRO CA . 16472 1 1065 . 1 1 118 118 PRO CB C 13 31.637 0.400 . 1 . . . . 118 PRO CB . 16472 1 1066 . 1 1 119 119 ILE H H 1 8.044 0.020 . 1 . . . . 119 ILE H . 16472 1 1067 . 1 1 119 119 ILE HA H 1 3.162 0.020 . 1 . . . . 119 ILE HA . 16472 1 1068 . 1 1 119 119 ILE HB H 1 2.340 0.020 . 1 . . . . 119 ILE HB . 16472 1 1069 . 1 1 119 119 ILE HD11 H 1 0.507 0.020 . 1 . . . . 119 ILE HD1 . 16472 1 1070 . 1 1 119 119 ILE HD12 H 1 0.507 0.020 . 1 . . . . 119 ILE HD1 . 16472 1 1071 . 1 1 119 119 ILE HD13 H 1 0.507 0.020 . 1 . . . . 119 ILE HD1 . 16472 1 1072 . 1 1 119 119 ILE HG12 H 1 1.207 0.020 . 2 . . . . 119 ILE HG12 . 16472 1 1073 . 1 1 119 119 ILE HG13 H 1 0.700 0.020 . 2 . . . . 119 ILE HG13 . 16472 1 1074 . 1 1 119 119 ILE HG21 H 1 0.799 0.020 . 1 . . . . 119 ILE HG2 . 16472 1 1075 . 1 1 119 119 ILE HG22 H 1 0.799 0.020 . 1 . . . . 119 ILE HG2 . 16472 1 1076 . 1 1 119 119 ILE HG23 H 1 0.799 0.020 . 1 . . . . 119 ILE HG2 . 16472 1 1077 . 1 1 119 119 ILE CA C 13 65.195 0.400 . 1 . . . . 119 ILE CA . 16472 1 1078 . 1 1 119 119 ILE CB C 13 34.166 0.400 . 1 . . . . 119 ILE CB . 16472 1 1079 . 1 1 119 119 ILE CD1 C 13 12.207 0.400 . 1 . . . . 119 ILE CD1 . 16472 1 1080 . 1 1 119 119 ILE CG1 C 13 26.819 0.400 . 1 . . . . 119 ILE CG1 . 16472 1 1081 . 1 1 119 119 ILE CG2 C 13 18.502 0.400 . 1 . . . . 119 ILE CG2 . 16472 1 1082 . 1 1 119 119 ILE N N 15 114.765 0.400 . 1 . . . . 119 ILE N . 16472 1 1083 . 1 1 120 120 SER HA H 1 4.493 0.020 . 1 . . . . 120 SER HA . 16472 1 1084 . 1 1 120 120 SER HB2 H 1 4.067 0.020 . 2 . . . . 120 SER HB2 . 16472 1 1085 . 1 1 120 120 SER HB3 H 1 3.956 0.020 . 2 . . . . 120 SER HB3 . 16472 1 1086 . 1 1 120 120 SER CA C 13 59.981 0.400 . 1 . . . . 120 SER CA . 16472 1 1087 . 1 1 120 120 SER CB C 13 65.155 0.400 . 1 . . . . 120 SER CB . 16472 1 1088 . 1 1 121 121 LEU H H 1 8.247 0.020 . 1 . . . . 121 LEU H . 16472 1 1089 . 1 1 121 121 LEU HA H 1 4.135 0.020 . 1 . . . . 121 LEU HA . 16472 1 1090 . 1 1 121 121 LEU HB2 H 1 2.030 0.020 . 2 . . . . 121 LEU HB2 . 16472 1 1091 . 1 1 121 121 LEU HB3 H 1 1.063 0.020 . 2 . . . . 121 LEU HB3 . 16472 1 1092 . 1 1 121 121 LEU HD11 H 1 0.358 0.020 . 2 . . . . 121 LEU HD1 . 16472 1 1093 . 1 1 121 121 LEU HD12 H 1 0.358 0.020 . 2 . . . . 121 LEU HD1 . 16472 1 1094 . 1 1 121 121 LEU HD13 H 1 0.358 0.020 . 2 . . . . 121 LEU HD1 . 16472 1 1095 . 1 1 121 121 LEU HD21 H 1 -0.273 0.020 . 2 . . . . 121 LEU HD2 . 16472 1 1096 . 1 1 121 121 LEU HD22 H 1 -0.273 0.020 . 2 . . . . 121 LEU HD2 . 16472 1 1097 . 1 1 121 121 LEU HD23 H 1 -0.273 0.020 . 2 . . . . 121 LEU HD2 . 16472 1 1098 . 1 1 121 121 LEU HG H 1 1.403 0.020 . 1 . . . . 121 LEU HG . 16472 1 1099 . 1 1 121 121 LEU CA C 13 53.084 0.400 . 1 . . . . 121 LEU CA . 16472 1 1100 . 1 1 121 121 LEU CB C 13 40.509 0.400 . 1 . . . . 121 LEU CB . 16472 1 1101 . 1 1 121 121 LEU CD1 C 13 25.430 0.400 . 1 . . . . 121 LEU CD1 . 16472 1 1102 . 1 1 121 121 LEU CD2 C 13 20.402 0.400 . 1 . . . . 121 LEU CD2 . 16472 1 1103 . 1 1 121 121 LEU CG C 13 26.618 0.400 . 1 . . . . 121 LEU CG . 16472 1 1104 . 1 1 121 121 LEU N N 15 122.969 0.400 . 1 . . . . 121 LEU N . 16472 1 1105 . 1 1 122 122 PRO HA H 1 4.404 0.020 . 1 . . . . 122 PRO HA . 16472 1 1106 . 1 1 122 122 PRO HB2 H 1 2.475 0.020 . 2 . . . . 122 PRO HB2 . 16472 1 1107 . 1 1 122 122 PRO HB3 H 1 2.028 0.020 . 2 . . . . 122 PRO HB3 . 16472 1 1108 . 1 1 122 122 PRO HD2 H 1 3.868 0.020 . 2 . . . . 122 PRO HD2 . 16472 1 1109 . 1 1 122 122 PRO HD3 H 1 3.635 0.020 . 2 . . . . 122 PRO HD3 . 16472 1 1110 . 1 1 122 122 PRO HG2 H 1 2.214 0.020 . 2 . . . . 122 PRO HG2 . 16472 1 1111 . 1 1 122 122 PRO HG3 H 1 1.768 0.020 . 2 . . . . 122 PRO HG3 . 16472 1 1112 . 1 1 122 122 PRO CA C 13 63.528 0.400 . 1 . . . . 122 PRO CA . 16472 1 1113 . 1 1 122 122 PRO CB C 13 32.114 0.400 . 1 . . . . 122 PRO CB . 16472 1 1114 . 1 1 122 122 PRO CD C 13 50.982 0.400 . 1 . . . . 122 PRO CD . 16472 1 1115 . 1 1 122 122 PRO CG C 13 28.275 0.400 . 1 . . . . 122 PRO CG . 16472 1 1116 . 1 1 123 123 CYS H H 1 7.126 0.020 . 1 . . . . 123 CYS H . 16472 1 1117 . 1 1 123 123 CYS HA H 1 4.623 0.020 . 1 . . . . 123 CYS HA . 16472 1 1118 . 1 1 123 123 CYS HB2 H 1 3.151 0.020 . 2 . . . . 123 CYS HB2 . 16472 1 1119 . 1 1 123 123 CYS HB3 H 1 3.030 0.020 . 2 . . . . 123 CYS HB3 . 16472 1 1120 . 1 1 123 123 CYS CA C 13 54.416 0.400 . 1 . . . . 123 CYS CA . 16472 1 1121 . 1 1 123 123 CYS CB C 13 29.812 0.400 . 1 . . . . 123 CYS CB . 16472 1 1122 . 1 1 123 123 CYS N N 15 109.212 0.400 . 1 . . . . 123 CYS N . 16472 1 1123 . 1 1 124 124 CYS H H 1 8.375 0.020 . 1 . . . . 124 CYS H . 16472 1 1124 . 1 1 124 124 CYS HA H 1 4.119 0.020 . 1 . . . . 124 CYS HA . 16472 1 1125 . 1 1 124 124 CYS HB2 H 1 2.769 0.020 . 2 . . . . 124 CYS HB2 . 16472 1 1126 . 1 1 124 124 CYS HB3 H 1 2.571 0.020 . 2 . . . . 124 CYS HB3 . 16472 1 1127 . 1 1 124 124 CYS CA C 13 60.637 0.400 . 1 . . . . 124 CYS CA . 16472 1 1128 . 1 1 124 124 CYS CB C 13 27.807 0.400 . 1 . . . . 124 CYS CB . 16472 1 1129 . 1 1 124 124 CYS N N 15 114.746 0.400 . 1 . . . . 124 CYS N . 16472 1 1130 . 1 1 125 125 LEU H H 1 7.505 0.020 . 1 . . . . 125 LEU H . 16472 1 1131 . 1 1 125 125 LEU HA H 1 4.122 0.020 . 1 . . . . 125 LEU HA . 16472 1 1132 . 1 1 125 125 LEU HB2 H 1 0.755 0.020 . 2 . . . . 125 LEU HB2 . 16472 1 1133 . 1 1 125 125 LEU HB3 H 1 0.573 0.020 . 2 . . . . 125 LEU HB3 . 16472 1 1134 . 1 1 125 125 LEU HD11 H 1 -0.324 0.020 . 2 . . . . 125 LEU HD1 . 16472 1 1135 . 1 1 125 125 LEU HD12 H 1 -0.324 0.020 . 2 . . . . 125 LEU HD1 . 16472 1 1136 . 1 1 125 125 LEU HD13 H 1 -0.324 0.020 . 2 . . . . 125 LEU HD1 . 16472 1 1137 . 1 1 125 125 LEU HD21 H 1 0.118 0.020 . 2 . . . . 125 LEU HD2 . 16472 1 1138 . 1 1 125 125 LEU HD22 H 1 0.118 0.020 . 2 . . . . 125 LEU HD2 . 16472 1 1139 . 1 1 125 125 LEU HD23 H 1 0.118 0.020 . 2 . . . . 125 LEU HD2 . 16472 1 1140 . 1 1 125 125 LEU HG H 1 1.053 0.020 . 1 . . . . 125 LEU HG . 16472 1 1141 . 1 1 125 125 LEU CA C 13 54.173 0.400 . 1 . . . . 125 LEU CA . 16472 1 1142 . 1 1 125 125 LEU CB C 13 40.100 0.400 . 1 . . . . 125 LEU CB . 16472 1 1143 . 1 1 125 125 LEU CD1 C 13 24.992 0.400 . 1 . . . . 125 LEU CD1 . 16472 1 1144 . 1 1 125 125 LEU CD2 C 13 22.379 0.400 . 1 . . . . 125 LEU CD2 . 16472 1 1145 . 1 1 125 125 LEU N N 15 119.446 0.400 . 1 . . . . 125 LEU N . 16472 1 1146 . 1 1 126 126 ARG H H 1 8.348 0.020 . 1 . . . . 126 ARG H . 16472 1 1147 . 1 1 126 126 ARG HA H 1 4.471 0.020 . 1 . . . . 126 ARG HA . 16472 1 1148 . 1 1 126 126 ARG HB2 H 1 1.670 0.020 . 2 . . . . 126 ARG HB2 . 16472 1 1149 . 1 1 126 126 ARG HB3 H 1 1.528 0.020 . 2 . . . . 126 ARG HB3 . 16472 1 1150 . 1 1 126 126 ARG HD2 H 1 3.276 0.020 . 2 . . . . 126 ARG HD2 . 16472 1 1151 . 1 1 126 126 ARG HD3 H 1 3.214 0.020 . 2 . . . . 126 ARG HD3 . 16472 1 1152 . 1 1 126 126 ARG HG2 H 1 1.619 0.020 . 2 . . . . 126 ARG HG2 . 16472 1 1153 . 1 1 126 126 ARG HG3 H 1 1.456 0.020 . 2 . . . . 126 ARG HG3 . 16472 1 1154 . 1 1 126 126 ARG CA C 13 54.919 0.400 . 1 . . . . 126 ARG CA . 16472 1 1155 . 1 1 126 126 ARG CB C 13 31.907 0.400 . 1 . . . . 126 ARG CB . 16472 1 1156 . 1 1 126 126 ARG CD C 13 43.478 0.400 . 1 . . . . 126 ARG CD . 16472 1 1157 . 1 1 126 126 ARG CG C 13 27.572 0.400 . 1 . . . . 126 ARG CG . 16472 1 1158 . 1 1 126 126 ARG N N 15 122.822 0.400 . 1 . . . . 126 ARG N . 16472 1 1159 . 1 1 127 127 ILE H H 1 8.514 0.020 . 1 . . . . 127 ILE H . 16472 1 1160 . 1 1 127 127 ILE HA H 1 4.208 0.020 . 1 . . . . 127 ILE HA . 16472 1 1161 . 1 1 127 127 ILE HB H 1 1.921 0.020 . 1 . . . . 127 ILE HB . 16472 1 1162 . 1 1 127 127 ILE HD11 H 1 0.911 0.020 . 1 . . . . 127 ILE HD1 . 16472 1 1163 . 1 1 127 127 ILE HD12 H 1 0.911 0.020 . 1 . . . . 127 ILE HD1 . 16472 1 1164 . 1 1 127 127 ILE HD13 H 1 0.911 0.020 . 1 . . . . 127 ILE HD1 . 16472 1 1165 . 1 1 127 127 ILE HG12 H 1 1.594 0.020 . 2 . . . . 127 ILE HG12 . 16472 1 1166 . 1 1 127 127 ILE HG13 H 1 1.111 0.020 . 2 . . . . 127 ILE HG13 . 16472 1 1167 . 1 1 127 127 ILE HG21 H 1 1.025 0.020 . 1 . . . . 127 ILE HG2 . 16472 1 1168 . 1 1 127 127 ILE HG22 H 1 1.025 0.020 . 1 . . . . 127 ILE HG2 . 16472 1 1169 . 1 1 127 127 ILE HG23 H 1 1.025 0.020 . 1 . . . . 127 ILE HG2 . 16472 1 1170 . 1 1 127 127 ILE CA C 13 61.465 0.400 . 1 . . . . 127 ILE CA . 16472 1 1171 . 1 1 127 127 ILE CB C 13 38.470 0.400 . 1 . . . . 127 ILE CB . 16472 1 1172 . 1 1 127 127 ILE CD1 C 13 13.559 0.400 . 1 . . . . 127 ILE CD1 . 16472 1 1173 . 1 1 127 127 ILE CG1 C 13 27.806 0.400 . 1 . . . . 127 ILE CG1 . 16472 1 1174 . 1 1 127 127 ILE CG2 C 13 18.256 0.400 . 1 . . . . 127 ILE CG2 . 16472 1 1175 . 1 1 127 127 ILE N N 15 124.081 0.400 . 1 . . . . 127 ILE N . 16472 1 1176 . 1 1 128 128 PRO HA H 1 4.468 0.020 . 1 . . . . 128 PRO HA . 16472 1 1177 . 1 1 128 128 PRO HB2 H 1 1.692 0.020 . 2 . . . . 128 PRO HB2 . 16472 1 1178 . 1 1 128 128 PRO HB3 H 1 1.594 0.020 . 2 . . . . 128 PRO HB3 . 16472 1 1179 . 1 1 128 128 PRO HG2 H 1 0.881 0.020 . 2 . . . . 128 PRO HG2 . 16472 1 1180 . 1 1 128 128 PRO HG3 H 1 0.881 0.020 . 2 . . . . 128 PRO HG3 . 16472 1 1181 . 1 1 128 128 PRO CA C 13 54.799 0.400 . 1 . . . . 128 PRO CA . 16472 1 1182 . 1 1 128 128 PRO CB C 13 42.752 0.400 . 1 . . . . 128 PRO CB . 16472 1 1183 . 1 1 128 128 PRO CG C 13 23.599 0.400 . 1 . . . . 128 PRO CG . 16472 1 1184 . 1 1 129 129 SER H H 1 8.215 0.020 . 1 . . . . 129 SER H . 16472 1 1185 . 1 1 129 129 SER HA H 1 4.195 0.020 . 1 . . . . 129 SER HA . 16472 1 1186 . 1 1 129 129 SER HB2 H 1 3.730 0.020 . 2 . . . . 129 SER HB2 . 16472 1 1187 . 1 1 129 129 SER HB3 H 1 3.622 0.020 . 2 . . . . 129 SER HB3 . 16472 1 1188 . 1 1 129 129 SER CA C 13 57.514 0.400 . 1 . . . . 129 SER CA . 16472 1 1189 . 1 1 129 129 SER CB C 13 63.670 0.400 . 1 . . . . 129 SER CB . 16472 1 1190 . 1 1 129 129 SER N N 15 116.314 0.400 . 1 . . . . 129 SER N . 16472 1 1191 . 1 1 130 130 LYS H H 1 7.801 0.020 . 1 . . . . 130 LYS H . 16472 1 1192 . 1 1 130 130 LYS HA H 1 4.164 0.020 . 1 . . . . 130 LYS HA . 16472 1 1193 . 1 1 130 130 LYS HB2 H 1 1.752 0.020 . 2 . . . . 130 LYS HB2 . 16472 1 1194 . 1 1 130 130 LYS HB3 H 1 1.652 0.020 . 2 . . . . 130 LYS HB3 . 16472 1 1195 . 1 1 130 130 LYS HD2 H 1 1.632 0.020 . 2 . . . . 130 LYS HD2 . 16472 1 1196 . 1 1 130 130 LYS HD3 H 1 1.632 0.020 . 2 . . . . 130 LYS HD3 . 16472 1 1197 . 1 1 130 130 LYS HE2 H 1 2.963 0.020 . 2 . . . . 130 LYS HE2 . 16472 1 1198 . 1 1 130 130 LYS HE3 H 1 2.963 0.020 . 2 . . . . 130 LYS HE3 . 16472 1 1199 . 1 1 130 130 LYS HG2 H 1 1.320 0.020 . 2 . . . . 130 LYS HG2 . 16472 1 1200 . 1 1 130 130 LYS HG3 H 1 1.320 0.020 . 2 . . . . 130 LYS HG3 . 16472 1 1201 . 1 1 130 130 LYS CA C 13 55.468 0.400 . 1 . . . . 130 LYS CA . 16472 1 1202 . 1 1 130 130 LYS CB C 13 33.672 0.400 . 1 . . . . 130 LYS CB . 16472 1 1203 . 1 1 130 130 LYS CD C 13 29.008 0.400 . 1 . . . . 130 LYS CD . 16472 1 1204 . 1 1 130 130 LYS CE C 13 42.028 0.400 . 1 . . . . 130 LYS CE . 16472 1 1205 . 1 1 130 130 LYS CG C 13 24.056 0.400 . 1 . . . . 130 LYS CG . 16472 1 1206 . 1 1 130 130 LYS N N 15 121.354 0.400 . 1 . . . . 130 LYS N . 16472 1 1207 . 1 1 131 131 ASP H H 1 8.283 0.020 . 1 . . . . 131 ASP H . 16472 1 1208 . 1 1 131 131 ASP HA H 1 4.861 0.020 . 1 . . . . 131 ASP HA . 16472 1 1209 . 1 1 131 131 ASP HB2 H 1 2.749 0.020 . 2 . . . . 131 ASP HB2 . 16472 1 1210 . 1 1 131 131 ASP HB3 H 1 2.449 0.020 . 2 . . . . 131 ASP HB3 . 16472 1 1211 . 1 1 131 131 ASP CA C 13 52.939 0.400 . 1 . . . . 131 ASP CA . 16472 1 1212 . 1 1 131 131 ASP CB C 13 40.393 0.400 . 1 . . . . 131 ASP CB . 16472 1 1213 . 1 1 131 131 ASP N N 15 122.994 0.400 . 1 . . . . 131 ASP N . 16472 1 stop_ save_