data_11541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11541 _Entry.Title ; Solution Structure of Protein-RNA Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-12 _Entry.Accession_date 2013-11-12 _Entry.Last_release_date 2014-08-11 _Entry.Original_release_date 2014-08-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Mari Takahashi . . . 11541 2 Kanako Kuwasako . . . 11541 3 Satoru Unzai . . . 11541 4 Kengo Tsuda . . . 11541 5 Seiko Yoshikawa . . . 11541 6 Fahu He . . . 11541 7 Naohiro Kobayashi . . . 11541 8 Peter Guntert . . . 11541 9 Mikako Shirouzu . . . 11541 10 Takuhiro Ito . . . 11541 11 Akiko Tanaka . . . 11541 12 Shigeyuki Yokoyama . . . 11541 13 Masatoshi Hagiwara . . . 11541 14 Hidehito Kuroyanagi . . . 11541 15 Yutaka Muto . . . 11541 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 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' . 11541 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 11541 'Protein-RNA Complex' . 11541 'RRM (RNA recognition motif)' . 11541 'solution structure' . 11541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 11541 '15N chemical shifts' 97 11541 '1H chemical shifts' 628 11541 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-08-11 2013-11-12 original author . 11541 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19609 'Solution Structure of Protein-RNA Ternary Complex' 11541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Protein-RNA Complex' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Kanako Kuwasako . . . 11541 1 2 Mari Takahashi . . . 11541 1 3 Satoru Unzai . . . 11541 1 4 Kengo Tsuda . . . 11541 1 5 Seiko Yoshikawa . . . 11541 1 6 Fahu He . . . 11541 1 7 Naohiro Kobayashi . . . 11541 1 8 Peter Guntert . . . 11541 1 9 Mikako Shirouzu . . . 11541 1 10 Takuhiro Ito . . . 11541 1 11 Akiko Tanaka . . . 11541 1 12 Shigeyuki Yokoyama . . . 11541 1 13 Masatoshi Hagiwara . . . 11541 1 14 Hidehito Kuroyanagi . . . 11541 1 15 Yutaka Muto . . . 11541 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11541 _Assembly.ID 1 _Assembly.Name 'Protein-RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity_1 A . yes native no no . . . 11541 1 2 RNA 2 $RNA B . no denatured no no . . . 11541 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RU3 . . . . 'Structure from this entry' . 11541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSTNAEPVVGSRDTMFTKIF VGGLPYHTSDKTLHEYFEQF GDIEEAVVITDRNTQKSRGY GFVTMKDRASAERACKDPNP IIDGRKANVNLAYLGAKPRT NVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RNA recognition motif (RRM)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11426.872 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 18845 . SUP-12 . . . . . 92.23 97 98.95 100.00 3.39e-63 . . . . 11541 1 2 no BMRB 18846 . SUP-12 . . . . . 92.23 97 98.95 100.00 3.39e-63 . . . . 11541 1 3 no BMRB 19653 . PROTEIN_SUP-12_ISOFORM_B . . . . . 92.23 97 98.95 100.00 3.39e-63 . . . . 11541 1 4 no PDB 2MGZ . "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" . . . . . 100.00 105 100.00 100.00 8.39e-70 . . . . 11541 1 5 no PDB 2RU3 . "Solution Structure Of C.elegans Sup-12 Rrm In Complex With Rna" . . . . . 100.00 103 100.00 100.00 9.29e-70 . . . . 11541 1 6 no PDB 4CH0 . "Rrm Domain From C. Elegans Sup-12" . . . . . 92.23 97 98.95 100.00 3.39e-63 . . . . 11541 1 7 no PDB 4CH1 . "Rrm Domain From C. Elegans Sup-12 Bound To Ggtgtgc Dna" . . . . . 92.23 97 98.95 100.00 3.39e-63 . . . . 11541 1 8 no PDB 4CIO . "Rrm Domain From C. Elegans Sup-12 Bound To Ggugugc Rna" . . . . . 92.23 97 98.95 100.00 3.39e-63 . . . . 11541 1 9 no EMBL CCD71425 . "SUPpressor [Caenorhabditis elegans]" . . . . . 99.03 248 100.00 100.00 4.07e-69 . . . . 11541 1 10 no EMBL CCD71429 . "SUPpressor [Caenorhabditis elegans]" . . . . . 99.03 151 100.00 100.00 2.28e-69 . . . . 11541 1 11 no GB EFO82252 . "CRE-SUP-12 protein [Caenorhabditis remanei]" . . . . . 99.03 246 97.06 99.02 5.34e-67 . . . . 11541 1 12 no GB EGT29982 . "CBN-SUP-12 protein [Caenorhabditis brenneri]" . . . . . 99.03 243 98.04 100.00 1.18e-67 . . . . 11541 1 13 no GB KIH66793 . "hypothetical protein ANCDUO_02881 [Ancylostoma duodenale]" . . . . . 86.41 170 97.75 98.88 3.32e-57 . . . . 11541 1 14 no REF NP_001129938 . "SUPpressor [Caenorhabditis elegans]" . . . . . 99.03 151 100.00 100.00 2.28e-69 . . . . 11541 1 15 no REF NP_508674 . "SUPpressor [Caenorhabditis elegans]" . . . . . 99.03 248 100.00 100.00 4.07e-69 . . . . 11541 1 16 no REF XP_003117654 . "CRE-SUP-12 protein [Caenorhabditis remanei]" . . . . . 99.03 246 97.06 99.02 5.34e-67 . . . . 11541 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 19 GLY . 11541 1 2 20 SER . 11541 1 3 21 THR . 11541 1 4 22 ASN . 11541 1 5 23 ALA . 11541 1 6 24 GLU . 11541 1 7 25 PRO . 11541 1 8 26 VAL . 11541 1 9 27 VAL . 11541 1 10 28 GLY . 11541 1 11 29 SER . 11541 1 12 30 ARG . 11541 1 13 31 ASP . 11541 1 14 32 THR . 11541 1 15 33 MET . 11541 1 16 34 PHE . 11541 1 17 35 THR . 11541 1 18 36 LYS . 11541 1 19 37 ILE . 11541 1 20 38 PHE . 11541 1 21 39 VAL . 11541 1 22 40 GLY . 11541 1 23 41 GLY . 11541 1 24 42 LEU . 11541 1 25 43 PRO . 11541 1 26 44 TYR . 11541 1 27 45 HIS . 11541 1 28 46 THR . 11541 1 29 47 SER . 11541 1 30 48 ASP . 11541 1 31 49 LYS . 11541 1 32 50 THR . 11541 1 33 51 LEU . 11541 1 34 52 HIS . 11541 1 35 53 GLU . 11541 1 36 54 TYR . 11541 1 37 55 PHE . 11541 1 38 56 GLU . 11541 1 39 57 GLN . 11541 1 40 58 PHE . 11541 1 41 59 GLY . 11541 1 42 60 ASP . 11541 1 43 61 ILE . 11541 1 44 62 GLU . 11541 1 45 63 GLU . 11541 1 46 64 ALA . 11541 1 47 65 VAL . 11541 1 48 66 VAL . 11541 1 49 67 ILE . 11541 1 50 68 THR . 11541 1 51 69 ASP . 11541 1 52 70 ARG . 11541 1 53 71 ASN . 11541 1 54 72 THR . 11541 1 55 73 GLN . 11541 1 56 74 LYS . 11541 1 57 75 SER . 11541 1 58 76 ARG . 11541 1 59 77 GLY . 11541 1 60 78 TYR . 11541 1 61 79 GLY . 11541 1 62 80 PHE . 11541 1 63 81 VAL . 11541 1 64 82 THR . 11541 1 65 83 MET . 11541 1 66 84 LYS . 11541 1 67 85 ASP . 11541 1 68 86 ARG . 11541 1 69 87 ALA . 11541 1 70 88 SER . 11541 1 71 89 ALA . 11541 1 72 90 GLU . 11541 1 73 91 ARG . 11541 1 74 92 ALA . 11541 1 75 93 CYS . 11541 1 76 94 LYS . 11541 1 77 95 ASP . 11541 1 78 96 PRO . 11541 1 79 97 ASN . 11541 1 80 98 PRO . 11541 1 81 99 ILE . 11541 1 82 100 ILE . 11541 1 83 101 ASP . 11541 1 84 102 GLY . 11541 1 85 103 ARG . 11541 1 86 104 LYS . 11541 1 87 105 ALA . 11541 1 88 106 ASN . 11541 1 89 107 VAL . 11541 1 90 108 ASN . 11541 1 91 109 LEU . 11541 1 92 110 ALA . 11541 1 93 111 TYR . 11541 1 94 112 LEU . 11541 1 95 113 GLY . 11541 1 96 114 ALA . 11541 1 97 115 LYS . 11541 1 98 116 PRO . 11541 1 99 117 ARG . 11541 1 100 118 THR . 11541 1 101 119 ASN . 11541 1 102 120 VAL . 11541 1 103 121 GLN . 11541 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 . GLY 1 1 11541 1 . SER 2 2 11541 1 . THR 3 3 11541 1 . ASN 4 4 11541 1 . ALA 5 5 11541 1 . GLU 6 6 11541 1 . PRO 7 7 11541 1 . VAL 8 8 11541 1 . VAL 9 9 11541 1 . GLY 10 10 11541 1 . SER 11 11 11541 1 . ARG 12 12 11541 1 . ASP 13 13 11541 1 . THR 14 14 11541 1 . MET 15 15 11541 1 . PHE 16 16 11541 1 . THR 17 17 11541 1 . LYS 18 18 11541 1 . ILE 19 19 11541 1 . PHE 20 20 11541 1 . VAL 21 21 11541 1 . GLY 22 22 11541 1 . GLY 23 23 11541 1 . LEU 24 24 11541 1 . PRO 25 25 11541 1 . TYR 26 26 11541 1 . HIS 27 27 11541 1 . THR 28 28 11541 1 . SER 29 29 11541 1 . ASP 30 30 11541 1 . LYS 31 31 11541 1 . THR 32 32 11541 1 . LEU 33 33 11541 1 . HIS 34 34 11541 1 . GLU 35 35 11541 1 . TYR 36 36 11541 1 . PHE 37 37 11541 1 . GLU 38 38 11541 1 . GLN 39 39 11541 1 . PHE 40 40 11541 1 . GLY 41 41 11541 1 . ASP 42 42 11541 1 . ILE 43 43 11541 1 . GLU 44 44 11541 1 . GLU 45 45 11541 1 . ALA 46 46 11541 1 . VAL 47 47 11541 1 . VAL 48 48 11541 1 . ILE 49 49 11541 1 . THR 50 50 11541 1 . ASP 51 51 11541 1 . ARG 52 52 11541 1 . ASN 53 53 11541 1 . THR 54 54 11541 1 . GLN 55 55 11541 1 . LYS 56 56 11541 1 . SER 57 57 11541 1 . ARG 58 58 11541 1 . GLY 59 59 11541 1 . TYR 60 60 11541 1 . GLY 61 61 11541 1 . PHE 62 62 11541 1 . VAL 63 63 11541 1 . THR 64 64 11541 1 . MET 65 65 11541 1 . LYS 66 66 11541 1 . ASP 67 67 11541 1 . ARG 68 68 11541 1 . ALA 69 69 11541 1 . SER 70 70 11541 1 . ALA 71 71 11541 1 . GLU 72 72 11541 1 . ARG 73 73 11541 1 . ALA 74 74 11541 1 . CYS 75 75 11541 1 . LYS 76 76 11541 1 . ASP 77 77 11541 1 . PRO 78 78 11541 1 . ASN 79 79 11541 1 . PRO 80 80 11541 1 . ILE 81 81 11541 1 . ILE 82 82 11541 1 . ASP 83 83 11541 1 . GLY 84 84 11541 1 . ARG 85 85 11541 1 . LYS 86 86 11541 1 . ALA 87 87 11541 1 . ASN 88 88 11541 1 . VAL 89 89 11541 1 . ASN 90 90 11541 1 . LEU 91 91 11541 1 . ALA 92 92 11541 1 . TYR 93 93 11541 1 . LEU 94 94 11541 1 . GLY 95 95 11541 1 . ALA 96 96 11541 1 . LYS 97 97 11541 1 . PRO 98 98 11541 1 . ARG 99 99 11541 1 . THR 100 100 11541 1 . ASN 101 101 11541 1 . VAL 102 102 11541 1 . GLN 103 103 11541 1 stop_ save_ save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 11541 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GUGUGC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . G . 11541 2 2 . U . 11541 2 3 . G . 11541 2 4 . U . 11541 2 5 . G . 11541 2 6 . C . 11541 2 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 . G 1 1 11541 2 . U 2 2 11541 2 . G 3 3 11541 2 . U 4 4 11541 2 . G 5 5 11541 2 . C 6 6 11541 2 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 11541 _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_1 . 6239 organism . 'Caenorhabditis elegans' nematode . . Eukaryota Metazoa Caenorhabditis elegans BL21 . . . . . . . . . . . . . . . . . . . . 11541 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 11541 _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_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21 . . . . . . . . . . . . . . . PET-15B . . . . . . 11541 1 2 2 $RNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11541 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM d-Tris-HCl(pH7.0),100mMNaCl,1mM d-DTT,0.02%NaN3' _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 0.6 . . mM . . . . 11541 1 2 RNA 'natural abundance' . . 2 $RNA . . 0.72 . . mM . . . . 11541 1 3 H2O . . . . . . solvent 90 . . % . . . . 11541 1 4 D2O . . . . . . solvent 10 . . % . . . . 11541 1 5 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 11541 1 6 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11541 1 7 d-DTT . . . . . . . 1 . . mM . . . . 11541 1 8 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 11541 1 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 11541 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 11541 1 pH 6 1 pH 11541 1 pressure 1 . atm 11541 1 temperature 298 . K 11541 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11541 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 11541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11541 1 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 11541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'The cryo probe is equipped with to this spectrometer.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11541 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'The cryo probe is equipped with to this spectrometer.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11541 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11541 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'The cryo probe is equipped with to this spectrometer.' . . 11541 1 2 spectrometer_2 Bruker Avance . 700 'The cryo probe is equipped with to this spectrometer.' . . 11541 1 3 spectrometer_3 Bruker Avance . 800 . . . 11541 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 11541 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11541 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11541 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11541 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11541 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11541 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11541 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11541 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11541 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11541 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11541 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11541 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11541 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 11541 _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 . . . . . . . . . 11541 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11541 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11541 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 11541 _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 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11541 1 10 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11541 1 11 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11541 1 12 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11541 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 5 5 ALA H H 1 8.326 0.030 . 1 . . . A 23 ALA H . 11541 1 2 . 1 1 5 5 ALA HA H 1 4.298 0.030 . 1 . . . A 23 ALA HA . 11541 1 3 . 1 1 5 5 ALA HB1 H 1 1.333 0.030 . 1 . . . A 23 ALA HB1 . 11541 1 4 . 1 1 5 5 ALA HB2 H 1 1.333 0.030 . 1 . . . A 23 ALA HB2 . 11541 1 5 . 1 1 5 5 ALA HB3 H 1 1.333 0.030 . 1 . . . A 23 ALA HB3 . 11541 1 6 . 1 1 5 5 ALA CA C 13 52.139 0.300 . 1 . . . A 23 ALA CA . 11541 1 7 . 1 1 5 5 ALA CB C 13 19.269 0.300 . 1 . . . A 23 ALA CB . 11541 1 8 . 1 1 5 5 ALA N N 15 121.773 0.300 . 1 . . . A 23 ALA N . 11541 1 9 . 1 1 8 8 VAL HA H 1 4.388 0.030 . 1 . . . A 26 VAL HA . 11541 1 10 . 1 1 8 8 VAL CA C 13 62.885 0.300 . 1 . . . A 26 VAL CA . 11541 1 11 . 1 1 9 9 VAL H H 1 8.329 0.030 . 1 . . . A 27 VAL H . 11541 1 12 . 1 1 9 9 VAL HA H 1 4.042 0.030 . 1 . . . A 27 VAL HA . 11541 1 13 . 1 1 9 9 VAL HB H 1 1.981 0.030 . 1 . . . A 27 VAL HB . 11541 1 14 . 1 1 9 9 VAL HG11 H 1 0.899 0.030 . 1 . . . A 27 VAL HG11 . 11541 1 15 . 1 1 9 9 VAL HG12 H 1 0.899 0.030 . 1 . . . A 27 VAL HG12 . 11541 1 16 . 1 1 9 9 VAL HG13 H 1 0.899 0.030 . 1 . . . A 27 VAL HG13 . 11541 1 17 . 1 1 9 9 VAL CA C 13 62.360 0.300 . 1 . . . A 27 VAL CA . 11541 1 18 . 1 1 9 9 VAL CB C 13 32.530 0.300 . 1 . . . A 27 VAL CB . 11541 1 19 . 1 1 9 9 VAL CG1 C 13 20.636 0.300 . 2 . . . A 27 VAL CG1 . 11541 1 20 . 1 1 9 9 VAL N N 15 121.621 0.300 . 1 . . . A 27 VAL N . 11541 1 21 . 1 1 10 10 GLY H H 1 8.563 0.030 . 1 . . . A 28 GLY H . 11541 1 22 . 1 1 10 10 GLY HA2 H 1 3.942 0.030 . 1 . . . A 28 GLY HA2 . 11541 1 23 . 1 1 10 10 GLY HA3 H 1 3.942 0.030 . 1 . . . A 28 GLY HA3 . 11541 1 24 . 1 1 10 10 GLY CA C 13 44.958 0.300 . 1 . . . A 28 GLY CA . 11541 1 25 . 1 1 10 10 GLY N N 15 113.199 0.300 . 1 . . . A 28 GLY N . 11541 1 26 . 1 1 11 11 SER H H 1 8.246 0.030 . 1 . . . A 29 SER H . 11541 1 27 . 1 1 11 11 SER HA H 1 4.391 0.030 . 1 . . . A 29 SER HA . 11541 1 28 . 1 1 11 11 SER HB2 H 1 3.808 0.030 . 2 . . . A 29 SER HB2 . 11541 1 29 . 1 1 11 11 SER HB3 H 1 3.849 0.030 . 2 . . . A 29 SER HB3 . 11541 1 30 . 1 1 11 11 SER CA C 13 58.192 0.300 . 1 . . . A 29 SER CA . 11541 1 31 . 1 1 11 11 SER CB C 13 63.792 0.300 . 1 . . . A 29 SER CB . 11541 1 32 . 1 1 11 11 SER N N 15 115.594 0.300 . 1 . . . A 29 SER N . 11541 1 33 . 1 1 12 12 ARG H H 1 8.515 0.030 . 1 . . . A 30 ARG H . 11541 1 34 . 1 1 12 12 ARG HA H 1 4.287 0.030 . 1 . . . A 30 ARG HA . 11541 1 35 . 1 1 12 12 ARG HB2 H 1 1.723 0.030 . 2 . . . A 30 ARG HB2 . 11541 1 36 . 1 1 12 12 ARG HB3 H 1 1.830 0.030 . 2 . . . A 30 ARG HB3 . 11541 1 37 . 1 1 12 12 ARG HG2 H 1 1.546 0.030 . 1 . . . A 30 ARG HG2 . 11541 1 38 . 1 1 12 12 ARG HG3 H 1 1.546 0.030 . 1 . . . A 30 ARG HG3 . 11541 1 39 . 1 1 12 12 ARG HD2 H 1 3.152 0.030 . 1 . . . A 30 ARG HD2 . 11541 1 40 . 1 1 12 12 ARG HD3 H 1 3.152 0.030 . 1 . . . A 30 ARG HD3 . 11541 1 41 . 1 1 12 12 ARG CA C 13 56.167 0.300 . 1 . . . A 30 ARG CA . 11541 1 42 . 1 1 12 12 ARG CB C 13 30.599 0.300 . 1 . . . A 30 ARG CB . 11541 1 43 . 1 1 12 12 ARG CG C 13 27.018 0.300 . 1 . . . A 30 ARG CG . 11541 1 44 . 1 1 12 12 ARG CD C 13 43.174 0.300 . 1 . . . A 30 ARG CD . 11541 1 45 . 1 1 12 12 ARG N N 15 122.939 0.300 . 1 . . . A 30 ARG N . 11541 1 46 . 1 1 13 13 ASP H H 1 8.452 0.030 . 1 . . . A 31 ASP H . 11541 1 47 . 1 1 13 13 ASP HA H 1 4.644 0.030 . 1 . . . A 31 ASP HA . 11541 1 48 . 1 1 13 13 ASP HB2 H 1 2.630 0.030 . 2 . . . A 31 ASP HB2 . 11541 1 49 . 1 1 13 13 ASP HB3 H 1 2.796 0.030 . 2 . . . A 31 ASP HB3 . 11541 1 50 . 1 1 13 13 ASP CA C 13 54.500 0.300 . 1 . . . A 31 ASP CA . 11541 1 51 . 1 1 13 13 ASP CB C 13 41.060 0.300 . 1 . . . A 31 ASP CB . 11541 1 52 . 1 1 13 13 ASP N N 15 121.764 0.300 . 1 . . . A 31 ASP N . 11541 1 53 . 1 1 14 14 THR H H 1 8.191 0.030 . 1 . . . A 32 THR H . 11541 1 54 . 1 1 14 14 THR HA H 1 4.667 0.030 . 1 . . . A 32 THR HA . 11541 1 55 . 1 1 14 14 THR HB H 1 4.634 0.030 . 1 . . . A 32 THR HB . 11541 1 56 . 1 1 14 14 THR HG21 H 1 1.051 0.030 . 1 . . . A 32 THR HG21 . 11541 1 57 . 1 1 14 14 THR HG22 H 1 1.051 0.030 . 1 . . . A 32 THR HG22 . 11541 1 58 . 1 1 14 14 THR HG23 H 1 1.051 0.030 . 1 . . . A 32 THR HG23 . 11541 1 59 . 1 1 14 14 THR CA C 13 60.634 0.300 . 1 . . . A 32 THR CA . 11541 1 60 . 1 1 14 14 THR CB C 13 68.654 0.300 . 1 . . . A 32 THR CB . 11541 1 61 . 1 1 14 14 THR CG2 C 13 20.924 0.300 . 1 . . . A 32 THR CG2 . 11541 1 62 . 1 1 14 14 THR N N 15 113.414 0.300 . 1 . . . A 32 THR N . 11541 1 63 . 1 1 15 15 MET H H 1 8.097 0.030 . 1 . . . A 33 MET H . 11541 1 64 . 1 1 15 15 MET HA H 1 3.684 0.030 . 1 . . . A 33 MET HA . 11541 1 65 . 1 1 15 15 MET HB2 H 1 1.772 0.030 . 2 . . . A 33 MET HB2 . 11541 1 66 . 1 1 15 15 MET HB3 H 1 1.235 0.030 . 2 . . . A 33 MET HB3 . 11541 1 67 . 1 1 15 15 MET HG2 H 1 0.764 0.030 . 2 . . . A 33 MET HG2 . 11541 1 68 . 1 1 15 15 MET HG3 H 1 1.158 0.030 . 2 . . . A 33 MET HG3 . 11541 1 69 . 1 1 15 15 MET HE1 H 1 1.435 0.030 . 1 . . . A 33 MET HE1 . 11541 1 70 . 1 1 15 15 MET HE2 H 1 1.435 0.030 . 1 . . . A 33 MET HE2 . 11541 1 71 . 1 1 15 15 MET HE3 H 1 1.435 0.030 . 1 . . . A 33 MET HE3 . 11541 1 72 . 1 1 15 15 MET CA C 13 60.227 0.300 . 1 . . . A 33 MET CA . 11541 1 73 . 1 1 15 15 MET CB C 13 32.707 0.300 . 1 . . . A 33 MET CB . 11541 1 74 . 1 1 15 15 MET CG C 13 30.725 0.300 . 1 . . . A 33 MET CG . 11541 1 75 . 1 1 15 15 MET CE C 13 16.398 0.300 . 1 . . . A 33 MET CE . 11541 1 76 . 1 1 15 15 MET N N 15 124.195 0.300 . 1 . . . A 33 MET N . 11541 1 77 . 1 1 16 16 PHE H H 1 8.513 0.030 . 1 . . . A 34 PHE H . 11541 1 78 . 1 1 16 16 PHE HA H 1 4.957 0.030 . 1 . . . A 34 PHE HA . 11541 1 79 . 1 1 16 16 PHE HB2 H 1 2.696 0.030 . 2 . . . A 34 PHE HB2 . 11541 1 80 . 1 1 16 16 PHE HB3 H 1 3.510 0.030 . 2 . . . A 34 PHE HB3 . 11541 1 81 . 1 1 16 16 PHE HD1 H 1 7.206 0.030 . 1 . . . A 34 PHE HD1 . 11541 1 82 . 1 1 16 16 PHE HD2 H 1 7.206 0.030 . 1 . . . A 34 PHE HD2 . 11541 1 83 . 1 1 16 16 PHE HE1 H 1 7.296 0.030 . 1 . . . A 34 PHE HE1 . 11541 1 84 . 1 1 16 16 PHE HE2 H 1 7.296 0.030 . 1 . . . A 34 PHE HE2 . 11541 1 85 . 1 1 16 16 PHE HZ H 1 7.180 0.030 . 1 . . . A 34 PHE HZ . 11541 1 86 . 1 1 16 16 PHE CA C 13 57.724 0.300 . 1 . . . A 34 PHE CA . 11541 1 87 . 1 1 16 16 PHE CB C 13 38.964 0.300 . 1 . . . A 34 PHE CB . 11541 1 88 . 1 1 16 16 PHE CD1 C 13 131.116 0.300 . 1 . . . A 34 PHE CD1 . 11541 1 89 . 1 1 16 16 PHE CD2 C 13 131.116 0.300 . 1 . . . A 34 PHE CD2 . 11541 1 90 . 1 1 16 16 PHE CE1 C 13 131.127 0.300 . 1 . . . A 34 PHE CE1 . 11541 1 91 . 1 1 16 16 PHE CE2 C 13 131.127 0.300 . 1 . . . A 34 PHE CE2 . 11541 1 92 . 1 1 16 16 PHE CZ C 13 129.719 0.300 . 1 . . . A 34 PHE CZ . 11541 1 93 . 1 1 16 16 PHE N N 15 110.593 0.300 . 1 . . . A 34 PHE N . 11541 1 94 . 1 1 17 17 THR H H 1 7.400 0.030 . 1 . . . A 35 THR H . 11541 1 95 . 1 1 17 17 THR HA H 1 4.388 0.030 . 1 . . . A 35 THR HA . 11541 1 96 . 1 1 17 17 THR HB H 1 4.576 0.030 . 1 . . . A 35 THR HB . 11541 1 97 . 1 1 17 17 THR HG21 H 1 0.771 0.030 . 1 . . . A 35 THR HG21 . 11541 1 98 . 1 1 17 17 THR HG22 H 1 0.771 0.030 . 1 . . . A 35 THR HG22 . 11541 1 99 . 1 1 17 17 THR HG23 H 1 0.771 0.030 . 1 . . . A 35 THR HG23 . 11541 1 100 . 1 1 17 17 THR CA C 13 61.096 0.300 . 1 . . . A 35 THR CA . 11541 1 101 . 1 1 17 17 THR CB C 13 69.581 0.300 . 1 . . . A 35 THR CB . 11541 1 102 . 1 1 17 17 THR CG2 C 13 22.194 0.300 . 1 . . . A 35 THR CG2 . 11541 1 103 . 1 1 17 17 THR N N 15 104.921 0.300 . 1 . . . A 35 THR N . 11541 1 104 . 1 1 18 18 LYS H H 1 7.961 0.030 . 1 . . . A 36 LYS H . 11541 1 105 . 1 1 18 18 LYS HA H 1 4.941 0.030 . 1 . . . A 36 LYS HA . 11541 1 106 . 1 1 18 18 LYS HB2 H 1 1.770 0.030 . 2 . . . A 36 LYS HB2 . 11541 1 107 . 1 1 18 18 LYS HB3 H 1 2.045 0.030 . 2 . . . A 36 LYS HB3 . 11541 1 108 . 1 1 18 18 LYS HG2 H 1 1.374 0.030 . 2 . . . A 36 LYS HG2 . 11541 1 109 . 1 1 18 18 LYS HG3 H 1 0.939 0.030 . 2 . . . A 36 LYS HG3 . 11541 1 110 . 1 1 18 18 LYS HD2 H 1 1.607 0.030 . 2 . . . A 36 LYS HD2 . 11541 1 111 . 1 1 18 18 LYS HD3 H 1 1.496 0.030 . 2 . . . A 36 LYS HD3 . 11541 1 112 . 1 1 18 18 LYS HE2 H 1 2.800 0.030 . 2 . . . A 36 LYS HE2 . 11541 1 113 . 1 1 18 18 LYS HE3 H 1 2.277 0.030 . 2 . . . A 36 LYS HE3 . 11541 1 114 . 1 1 18 18 LYS CA C 13 60.788 0.300 . 1 . . . A 36 LYS CA . 11541 1 115 . 1 1 18 18 LYS CB C 13 33.862 0.300 . 1 . . . A 36 LYS CB . 11541 1 116 . 1 1 18 18 LYS CG C 13 25.353 0.300 . 1 . . . A 36 LYS CG . 11541 1 117 . 1 1 18 18 LYS CD C 13 30.095 0.300 . 1 . . . A 36 LYS CD . 11541 1 118 . 1 1 18 18 LYS CE C 13 41.639 0.300 . 1 . . . A 36 LYS CE . 11541 1 119 . 1 1 18 18 LYS N N 15 122.395 0.300 . 1 . . . A 36 LYS N . 11541 1 120 . 1 1 19 19 ILE H H 1 10.111 0.030 . 1 . . . A 37 ILE H . 11541 1 121 . 1 1 19 19 ILE HA H 1 4.168 0.030 . 1 . . . A 37 ILE HA . 11541 1 122 . 1 1 19 19 ILE HB H 1 1.881 0.030 . 1 . . . A 37 ILE HB . 11541 1 123 . 1 1 19 19 ILE HG12 H 1 1.705 0.030 . 2 . . . A 37 ILE HG12 . 11541 1 124 . 1 1 19 19 ILE HG13 H 1 0.501 0.030 . 2 . . . A 37 ILE HG13 . 11541 1 125 . 1 1 19 19 ILE HG21 H 1 0.647 0.030 . 1 . . . A 37 ILE HG21 . 11541 1 126 . 1 1 19 19 ILE HG22 H 1 0.647 0.030 . 1 . . . A 37 ILE HG22 . 11541 1 127 . 1 1 19 19 ILE HG23 H 1 0.647 0.030 . 1 . . . A 37 ILE HG23 . 11541 1 128 . 1 1 19 19 ILE HD11 H 1 0.690 0.030 . 1 . . . A 37 ILE HD11 . 11541 1 129 . 1 1 19 19 ILE HD12 H 1 0.690 0.030 . 1 . . . A 37 ILE HD12 . 11541 1 130 . 1 1 19 19 ILE HD13 H 1 0.690 0.030 . 1 . . . A 37 ILE HD13 . 11541 1 131 . 1 1 19 19 ILE CA C 13 61.757 0.300 . 1 . . . A 37 ILE CA . 11541 1 132 . 1 1 19 19 ILE CB C 13 40.566 0.300 . 1 . . . A 37 ILE CB . 11541 1 133 . 1 1 19 19 ILE CG1 C 13 28.107 0.300 . 1 . . . A 37 ILE CG1 . 11541 1 134 . 1 1 19 19 ILE CG2 C 13 18.346 0.300 . 1 . . . A 37 ILE CG2 . 11541 1 135 . 1 1 19 19 ILE CD1 C 13 15.805 0.300 . 1 . . . A 37 ILE CD1 . 11541 1 136 . 1 1 19 19 ILE N N 15 133.642 0.300 . 1 . . . A 37 ILE N . 11541 1 137 . 1 1 20 20 PHE H H 1 9.256 0.030 . 1 . . . A 38 PHE H . 11541 1 138 . 1 1 20 20 PHE HA H 1 4.588 0.030 . 1 . . . A 38 PHE HA . 11541 1 139 . 1 1 20 20 PHE HB2 H 1 2.800 0.030 . 2 . . . A 38 PHE HB2 . 11541 1 140 . 1 1 20 20 PHE HB3 H 1 2.650 0.030 . 2 . . . A 38 PHE HB3 . 11541 1 141 . 1 1 20 20 PHE HD1 H 1 6.691 0.030 . 3 . . . A 38 PHE HD1 . 11541 1 142 . 1 1 20 20 PHE HD2 H 1 6.547 0.030 . 3 . . . A 38 PHE HD2 . 11541 1 143 . 1 1 20 20 PHE HE1 H 1 7.195 0.030 . 1 . . . A 38 PHE HE1 . 11541 1 144 . 1 1 20 20 PHE HE2 H 1 7.195 0.030 . 1 . . . A 38 PHE HE2 . 11541 1 145 . 1 1 20 20 PHE HZ H 1 5.603 0.030 . 1 . . . A 38 PHE HZ . 11541 1 146 . 1 1 20 20 PHE CA C 13 57.604 0.300 . 1 . . . A 38 PHE CA . 11541 1 147 . 1 1 20 20 PHE CB C 13 41.042 0.300 . 1 . . . A 38 PHE CB . 11541 1 148 . 1 1 20 20 PHE CD1 C 13 131.445 0.300 . 1 . . . A 38 PHE CD1 . 11541 1 149 . 1 1 20 20 PHE CD2 C 13 131.445 0.300 . 1 . . . A 38 PHE CD2 . 11541 1 150 . 1 1 20 20 PHE CE1 C 13 130.783 0.300 . 1 . . . A 38 PHE CE1 . 11541 1 151 . 1 1 20 20 PHE CZ C 13 127.207 0.300 . 1 . . . A 38 PHE CZ . 11541 1 152 . 1 1 20 20 PHE N N 15 127.338 0.300 . 1 . . . A 38 PHE N . 11541 1 153 . 1 1 21 21 VAL H H 1 7.561 0.030 . 1 . . . A 39 VAL H . 11541 1 154 . 1 1 21 21 VAL HA H 1 4.303 0.030 . 1 . . . A 39 VAL HA . 11541 1 155 . 1 1 21 21 VAL HB H 1 1.417 0.030 . 1 . . . A 39 VAL HB . 11541 1 156 . 1 1 21 21 VAL HG11 H 1 0.631 0.030 . 1 . . . A 39 VAL HG11 . 11541 1 157 . 1 1 21 21 VAL HG12 H 1 0.631 0.030 . 1 . . . A 39 VAL HG12 . 11541 1 158 . 1 1 21 21 VAL HG13 H 1 0.631 0.030 . 1 . . . A 39 VAL HG13 . 11541 1 159 . 1 1 21 21 VAL HG21 H 1 0.535 0.030 . 1 . . . A 39 VAL HG21 . 11541 1 160 . 1 1 21 21 VAL HG22 H 1 0.535 0.030 . 1 . . . A 39 VAL HG22 . 11541 1 161 . 1 1 21 21 VAL HG23 H 1 0.535 0.030 . 1 . . . A 39 VAL HG23 . 11541 1 162 . 1 1 21 21 VAL CA C 13 59.395 0.300 . 1 . . . A 39 VAL CA . 11541 1 163 . 1 1 21 21 VAL CB C 13 31.755 0.300 . 1 . . . A 39 VAL CB . 11541 1 164 . 1 1 21 21 VAL CG1 C 13 21.480 0.300 . 2 . . . A 39 VAL CG1 . 11541 1 165 . 1 1 21 21 VAL CG2 C 13 21.296 0.300 . 2 . . . A 39 VAL CG2 . 11541 1 166 . 1 1 21 21 VAL N N 15 127.313 0.300 . 1 . . . A 39 VAL N . 11541 1 167 . 1 1 22 22 GLY H H 1 8.787 0.030 . 1 . . . A 40 GLY H . 11541 1 168 . 1 1 22 22 GLY HA2 H 1 3.551 0.030 . 2 . . . A 40 GLY HA2 . 11541 1 169 . 1 1 22 22 GLY HA3 H 1 4.042 0.030 . 2 . . . A 40 GLY HA3 . 11541 1 170 . 1 1 22 22 GLY CA C 13 43.038 0.300 . 1 . . . A 40 GLY CA . 11541 1 171 . 1 1 22 22 GLY N N 15 112.562 0.300 . 1 . . . A 40 GLY N . 11541 1 172 . 1 1 23 23 GLY H H 1 8.204 0.030 . 1 . . . A 41 GLY H . 11541 1 173 . 1 1 23 23 GLY HA2 H 1 3.933 0.030 . 2 . . . A 41 GLY HA2 . 11541 1 174 . 1 1 23 23 GLY HA3 H 1 3.793 0.030 . 2 . . . A 41 GLY HA3 . 11541 1 175 . 1 1 23 23 GLY CA C 13 46.846 0.300 . 1 . . . A 41 GLY CA . 11541 1 176 . 1 1 23 23 GLY N N 15 106.452 0.300 . 1 . . . A 41 GLY N . 11541 1 177 . 1 1 24 24 LEU H H 1 7.540 0.030 . 1 . . . A 42 LEU H . 11541 1 178 . 1 1 24 24 LEU HA H 1 4.258 0.030 . 1 . . . A 42 LEU HA . 11541 1 179 . 1 1 24 24 LEU HB2 H 1 1.091 0.030 . 2 . . . A 42 LEU HB2 . 11541 1 180 . 1 1 24 24 LEU HB3 H 1 0.898 0.030 . 2 . . . A 42 LEU HB3 . 11541 1 181 . 1 1 24 24 LEU HG H 1 1.203 0.030 . 1 . . . A 42 LEU HG . 11541 1 182 . 1 1 24 24 LEU HD11 H 1 0.408 0.030 . 1 . . . A 42 LEU HD11 . 11541 1 183 . 1 1 24 24 LEU HD12 H 1 0.408 0.030 . 1 . . . A 42 LEU HD12 . 11541 1 184 . 1 1 24 24 LEU HD13 H 1 0.408 0.030 . 1 . . . A 42 LEU HD13 . 11541 1 185 . 1 1 24 24 LEU HD21 H 1 0.600 0.030 . 1 . . . A 42 LEU HD21 . 11541 1 186 . 1 1 24 24 LEU HD22 H 1 0.600 0.030 . 1 . . . A 42 LEU HD22 . 11541 1 187 . 1 1 24 24 LEU HD23 H 1 0.600 0.030 . 1 . . . A 42 LEU HD23 . 11541 1 188 . 1 1 24 24 LEU CA C 13 52.025 0.300 . 1 . . . A 42 LEU CA . 11541 1 189 . 1 1 24 24 LEU CB C 13 41.521 0.300 . 1 . . . A 42 LEU CB . 11541 1 190 . 1 1 24 24 LEU CG C 13 26.172 0.300 . 1 . . . A 42 LEU CG . 11541 1 191 . 1 1 24 24 LEU CD1 C 13 25.938 0.300 . 2 . . . A 42 LEU CD1 . 11541 1 192 . 1 1 24 24 LEU CD2 C 13 22.897 0.300 . 2 . . . A 42 LEU CD2 . 11541 1 193 . 1 1 24 24 LEU N N 15 117.215 0.300 . 1 . . . A 42 LEU N . 11541 1 194 . 1 1 25 25 PRO HA H 1 4.865 0.030 . 1 . . . A 43 PRO HA . 11541 1 195 . 1 1 25 25 PRO HB2 H 1 1.590 0.030 . 2 . . . A 43 PRO HB2 . 11541 1 196 . 1 1 25 25 PRO HB3 H 1 2.015 0.030 . 2 . . . A 43 PRO HB3 . 11541 1 197 . 1 1 25 25 PRO HG2 H 1 2.140 0.030 . 2 . . . A 43 PRO HG2 . 11541 1 198 . 1 1 25 25 PRO HG3 H 1 1.791 0.030 . 2 . . . A 43 PRO HG3 . 11541 1 199 . 1 1 25 25 PRO HD2 H 1 3.780 0.030 . 1 . . . A 43 PRO HD2 . 11541 1 200 . 1 1 25 25 PRO HD3 H 1 3.780 0.030 . 1 . . . A 43 PRO HD3 . 11541 1 201 . 1 1 25 25 PRO CA C 13 62.698 0.300 . 1 . . . A 43 PRO CA . 11541 1 202 . 1 1 25 25 PRO CB C 13 31.051 0.300 . 1 . . . A 43 PRO CB . 11541 1 203 . 1 1 25 25 PRO CG C 13 27.939 0.300 . 1 . . . A 43 PRO CG . 11541 1 204 . 1 1 25 25 PRO CD C 13 49.824 0.300 . 1 . . . A 43 PRO CD . 11541 1 205 . 1 1 26 26 TYR H H 1 8.202 0.030 . 1 . . . A 44 TYR H . 11541 1 206 . 1 1 26 26 TYR HA H 1 4.199 0.030 . 1 . . . A 44 TYR HA . 11541 1 207 . 1 1 26 26 TYR HB2 H 1 3.304 0.030 . 2 . . . A 44 TYR HB2 . 11541 1 208 . 1 1 26 26 TYR HB3 H 1 2.839 0.030 . 2 . . . A 44 TYR HB3 . 11541 1 209 . 1 1 26 26 TYR HD1 H 1 6.919 0.030 . 1 . . . A 44 TYR HD1 . 11541 1 210 . 1 1 26 26 TYR HD2 H 1 6.919 0.030 . 1 . . . A 44 TYR HD2 . 11541 1 211 . 1 1 26 26 TYR HE1 H 1 6.172 0.030 . 1 . . . A 44 TYR HE1 . 11541 1 212 . 1 1 26 26 TYR HE2 H 1 6.172 0.030 . 1 . . . A 44 TYR HE2 . 11541 1 213 . 1 1 26 26 TYR CA C 13 60.579 0.300 . 1 . . . A 44 TYR CA . 11541 1 214 . 1 1 26 26 TYR CB C 13 36.877 0.300 . 1 . . . A 44 TYR CB . 11541 1 215 . 1 1 26 26 TYR CD1 C 13 131.934 0.300 . 1 . . . A 44 TYR CD1 . 11541 1 216 . 1 1 26 26 TYR CD2 C 13 131.934 0.300 . 1 . . . A 44 TYR CD2 . 11541 1 217 . 1 1 26 26 TYR CE1 C 13 117.280 0.300 . 1 . . . A 44 TYR CE1 . 11541 1 218 . 1 1 26 26 TYR CE2 C 13 117.280 0.300 . 1 . . . A 44 TYR CE2 . 11541 1 219 . 1 1 26 26 TYR N N 15 121.645 0.300 . 1 . . . A 44 TYR N . 11541 1 220 . 1 1 27 27 HIS H H 1 7.351 0.030 . 1 . . . A 45 HIS H . 11541 1 221 . 1 1 27 27 HIS HA H 1 4.783 0.030 . 1 . . . A 45 HIS HA . 11541 1 222 . 1 1 27 27 HIS HB2 H 1 3.389 0.030 . 2 . . . A 45 HIS HB2 . 11541 1 223 . 1 1 27 27 HIS HB3 H 1 2.965 0.030 . 2 . . . A 45 HIS HB3 . 11541 1 224 . 1 1 27 27 HIS HD2 H 1 6.991 0.030 . 1 . . . A 45 HIS HD2 . 11541 1 225 . 1 1 27 27 HIS HE1 H 1 7.885 0.030 . 1 . . . A 45 HIS HE1 . 11541 1 226 . 1 1 27 27 HIS CA C 13 55.541 0.300 . 1 . . . A 45 HIS CA . 11541 1 227 . 1 1 27 27 HIS CB C 13 30.405 0.300 . 1 . . . A 45 HIS CB . 11541 1 228 . 1 1 27 27 HIS CD2 C 13 118.616 0.300 . 1 . . . A 45 HIS CD2 . 11541 1 229 . 1 1 27 27 HIS CE1 C 13 139.347 0.300 . 1 . . . A 45 HIS CE1 . 11541 1 230 . 1 1 27 27 HIS N N 15 110.926 0.300 . 1 . . . A 45 HIS N . 11541 1 231 . 1 1 28 28 THR H H 1 7.206 0.030 . 1 . . . A 46 THR H . 11541 1 232 . 1 1 28 28 THR HA H 1 3.977 0.030 . 1 . . . A 46 THR HA . 11541 1 233 . 1 1 28 28 THR HB H 1 3.674 0.030 . 1 . . . A 46 THR HB . 11541 1 234 . 1 1 28 28 THR HG21 H 1 1.111 0.030 . 1 . . . A 46 THR HG21 . 11541 1 235 . 1 1 28 28 THR HG22 H 1 1.111 0.030 . 1 . . . A 46 THR HG22 . 11541 1 236 . 1 1 28 28 THR HG23 H 1 1.111 0.030 . 1 . . . A 46 THR HG23 . 11541 1 237 . 1 1 28 28 THR CA C 13 65.955 0.300 . 1 . . . A 46 THR CA . 11541 1 238 . 1 1 28 28 THR CB C 13 67.580 0.300 . 1 . . . A 46 THR CB . 11541 1 239 . 1 1 28 28 THR CG2 C 13 22.785 0.300 . 1 . . . A 46 THR CG2 . 11541 1 240 . 1 1 28 28 THR N N 15 123.565 0.300 . 1 . . . A 46 THR N . 11541 1 241 . 1 1 29 29 SER H H 1 8.428 0.030 . 1 . . . A 47 SER H . 11541 1 242 . 1 1 29 29 SER HA H 1 4.801 0.030 . 1 . . . A 47 SER HA . 11541 1 243 . 1 1 29 29 SER HB2 H 1 4.419 0.030 . 2 . . . A 47 SER HB2 . 11541 1 244 . 1 1 29 29 SER HB3 H 1 3.974 0.030 . 2 . . . A 47 SER HB3 . 11541 1 245 . 1 1 29 29 SER CA C 13 55.550 0.300 . 1 . . . A 47 SER CA . 11541 1 246 . 1 1 29 29 SER CB C 13 67.482 0.300 . 1 . . . A 47 SER CB . 11541 1 247 . 1 1 29 29 SER N N 15 123.912 0.300 . 1 . . . A 47 SER N . 11541 1 248 . 1 1 30 30 ASP H H 1 8.703 0.030 . 1 . . . A 48 ASP H . 11541 1 249 . 1 1 30 30 ASP HA H 1 4.030 0.030 . 1 . . . A 48 ASP HA . 11541 1 250 . 1 1 30 30 ASP HB2 H 1 2.714 0.030 . 2 . . . A 48 ASP HB2 . 11541 1 251 . 1 1 30 30 ASP HB3 H 1 2.964 0.030 . 2 . . . A 48 ASP HB3 . 11541 1 252 . 1 1 30 30 ASP CA C 13 57.913 0.300 . 1 . . . A 48 ASP CA . 11541 1 253 . 1 1 30 30 ASP CB C 13 39.902 0.300 . 1 . . . A 48 ASP CB . 11541 1 254 . 1 1 30 30 ASP N N 15 119.597 0.300 . 1 . . . A 48 ASP N . 11541 1 255 . 1 1 31 31 LYS H H 1 7.948 0.030 . 1 . . . A 49 LYS H . 11541 1 256 . 1 1 31 31 LYS HA H 1 4.130 0.030 . 1 . . . A 49 LYS HA . 11541 1 257 . 1 1 31 31 LYS HB2 H 1 1.775 0.030 . 2 . . . A 49 LYS HB2 . 11541 1 258 . 1 1 31 31 LYS HB3 H 1 1.876 0.030 . 2 . . . A 49 LYS HB3 . 11541 1 259 . 1 1 31 31 LYS HG2 H 1 1.431 0.030 . 2 . . . A 49 LYS HG2 . 11541 1 260 . 1 1 31 31 LYS HG3 H 1 1.331 0.030 . 2 . . . A 49 LYS HG3 . 11541 1 261 . 1 1 31 31 LYS CA C 13 59.232 0.300 . 1 . . . A 49 LYS CA . 11541 1 262 . 1 1 31 31 LYS CB C 13 32.840 0.300 . 1 . . . A 49 LYS CB . 11541 1 263 . 1 1 31 31 LYS CG C 13 24.418 0.300 . 1 . . . A 49 LYS CG . 11541 1 264 . 1 1 31 31 LYS N N 15 118.421 0.300 . 1 . . . A 49 LYS N . 11541 1 265 . 1 1 32 32 THR H H 1 7.892 0.030 . 1 . . . A 50 THR H . 11541 1 266 . 1 1 32 32 THR HA H 1 4.138 0.030 . 1 . . . A 50 THR HA . 11541 1 267 . 1 1 32 32 THR HB H 1 4.438 0.030 . 1 . . . A 50 THR HB . 11541 1 268 . 1 1 32 32 THR HG21 H 1 1.236 0.030 . 1 . . . A 50 THR HG21 . 11541 1 269 . 1 1 32 32 THR HG22 H 1 1.236 0.030 . 1 . . . A 50 THR HG22 . 11541 1 270 . 1 1 32 32 THR HG23 H 1 1.236 0.030 . 1 . . . A 50 THR HG23 . 11541 1 271 . 1 1 32 32 THR CA C 13 65.847 0.300 . 1 . . . A 50 THR CA . 11541 1 272 . 1 1 32 32 THR CB C 13 67.411 0.300 . 1 . . . A 50 THR CB . 11541 1 273 . 1 1 32 32 THR CG2 C 13 22.666 0.300 . 1 . . . A 50 THR CG2 . 11541 1 274 . 1 1 32 32 THR N N 15 115.655 0.300 . 1 . . . A 50 THR N . 11541 1 275 . 1 1 33 33 LEU H H 1 8.304 0.030 . 1 . . . A 51 LEU H . 11541 1 276 . 1 1 33 33 LEU HA H 1 4.082 0.030 . 1 . . . A 51 LEU HA . 11541 1 277 . 1 1 33 33 LEU HB2 H 1 1.235 0.030 . 2 . . . A 51 LEU HB2 . 11541 1 278 . 1 1 33 33 LEU HB3 H 1 1.933 0.030 . 2 . . . A 51 LEU HB3 . 11541 1 279 . 1 1 33 33 LEU HG H 1 0.909 0.030 . 1 . . . A 51 LEU HG . 11541 1 280 . 1 1 33 33 LEU HD11 H 1 0.496 0.030 . 1 . . . A 51 LEU HD11 . 11541 1 281 . 1 1 33 33 LEU HD12 H 1 0.496 0.030 . 1 . . . A 51 LEU HD12 . 11541 1 282 . 1 1 33 33 LEU HD13 H 1 0.496 0.030 . 1 . . . A 51 LEU HD13 . 11541 1 283 . 1 1 33 33 LEU CA C 13 58.269 0.300 . 1 . . . A 51 LEU CA . 11541 1 284 . 1 1 33 33 LEU CB C 13 42.310 0.300 . 1 . . . A 51 LEU CB . 11541 1 285 . 1 1 33 33 LEU CG C 13 24.662 0.300 . 1 . . . A 51 LEU CG . 11541 1 286 . 1 1 33 33 LEU CD1 C 13 26.157 0.300 . 1 . . . A 51 LEU CD1 . 11541 1 287 . 1 1 33 33 LEU CD2 C 13 26.157 0.300 . 1 . . . A 51 LEU CD2 . 11541 1 288 . 1 1 33 33 LEU N N 15 124.322 0.300 . 1 . . . A 51 LEU N . 11541 1 289 . 1 1 34 34 HIS H H 1 8.538 0.030 . 1 . . . A 52 HIS H . 11541 1 290 . 1 1 34 34 HIS HA H 1 3.714 0.030 . 1 . . . A 52 HIS HA . 11541 1 291 . 1 1 34 34 HIS HB2 H 1 3.503 0.030 . 1 . . . A 52 HIS HB2 . 11541 1 292 . 1 1 34 34 HIS HB3 H 1 3.503 0.030 . 1 . . . A 52 HIS HB3 . 11541 1 293 . 1 1 34 34 HIS HD2 H 1 7.122 0.030 . 1 . . . A 52 HIS HD2 . 11541 1 294 . 1 1 34 34 HIS HE1 H 1 8.204 0.030 . 1 . . . A 52 HIS HE1 . 11541 1 295 . 1 1 34 34 HIS CA C 13 60.529 0.300 . 1 . . . A 52 HIS CA . 11541 1 296 . 1 1 34 34 HIS CB C 13 29.607 0.300 . 1 . . . A 52 HIS CB . 11541 1 297 . 1 1 34 34 HIS CD2 C 13 121.287 0.300 . 1 . . . A 52 HIS CD2 . 11541 1 298 . 1 1 34 34 HIS CE1 C 13 137.973 0.300 . 1 . . . A 52 HIS CE1 . 11541 1 299 . 1 1 34 34 HIS N N 15 118.505 0.300 . 1 . . . A 52 HIS N . 11541 1 300 . 1 1 35 35 GLU H H 1 8.549 0.030 . 1 . . . A 53 GLU H . 11541 1 301 . 1 1 35 35 GLU HA H 1 4.042 0.030 . 1 . . . A 53 GLU HA . 11541 1 302 . 1 1 35 35 GLU HB2 H 1 2.236 0.030 . 2 . . . A 53 GLU HB2 . 11541 1 303 . 1 1 35 35 GLU HB3 H 1 2.029 0.030 . 2 . . . A 53 GLU HB3 . 11541 1 304 . 1 1 35 35 GLU HG2 H 1 2.636 0.030 . 2 . . . A 53 GLU HG2 . 11541 1 305 . 1 1 35 35 GLU HG3 H 1 2.298 0.030 . 2 . . . A 53 GLU HG3 . 11541 1 306 . 1 1 35 35 GLU CA C 13 59.028 0.300 . 1 . . . A 53 GLU CA . 11541 1 307 . 1 1 35 35 GLU CB C 13 29.520 0.300 . 1 . . . A 53 GLU CB . 11541 1 308 . 1 1 35 35 GLU CG C 13 36.989 0.300 . 1 . . . A 53 GLU CG . 11541 1 309 . 1 1 35 35 GLU N N 15 115.682 0.300 . 1 . . . A 53 GLU N . 11541 1 310 . 1 1 36 36 TYR H H 1 7.798 0.030 . 1 . . . A 54 TYR H . 11541 1 311 . 1 1 36 36 TYR HA H 1 4.051 0.030 . 1 . . . A 54 TYR HA . 11541 1 312 . 1 1 36 36 TYR HB2 H 1 3.181 0.030 . 2 . . . A 54 TYR HB2 . 11541 1 313 . 1 1 36 36 TYR HB3 H 1 2.897 0.030 . 2 . . . A 54 TYR HB3 . 11541 1 314 . 1 1 36 36 TYR HD1 H 1 6.327 0.030 . 1 . . . A 54 TYR HD1 . 11541 1 315 . 1 1 36 36 TYR HD2 H 1 6.327 0.030 . 1 . . . A 54 TYR HD2 . 11541 1 316 . 1 1 36 36 TYR HE1 H 1 6.428 0.030 . 1 . . . A 54 TYR HE1 . 11541 1 317 . 1 1 36 36 TYR HE2 H 1 6.428 0.030 . 1 . . . A 54 TYR HE2 . 11541 1 318 . 1 1 36 36 TYR CA C 13 62.559 0.300 . 1 . . . A 54 TYR CA . 11541 1 319 . 1 1 36 36 TYR CB C 13 37.764 0.300 . 1 . . . A 54 TYR CB . 11541 1 320 . 1 1 36 36 TYR CD1 C 13 132.636 0.300 . 1 . . . A 54 TYR CD1 . 11541 1 321 . 1 1 36 36 TYR CD2 C 13 132.636 0.300 . 1 . . . A 54 TYR CD2 . 11541 1 322 . 1 1 36 36 TYR CE1 C 13 117.340 0.300 . 1 . . . A 54 TYR CE1 . 11541 1 323 . 1 1 36 36 TYR CE2 C 13 117.340 0.300 . 1 . . . A 54 TYR CE2 . 11541 1 324 . 1 1 36 36 TYR N N 15 117.598 0.300 . 1 . . . A 54 TYR N . 11541 1 325 . 1 1 37 37 PHE H H 1 7.743 0.030 . 1 . . . A 55 PHE H . 11541 1 326 . 1 1 37 37 PHE HA H 1 4.282 0.030 . 1 . . . A 55 PHE HA . 11541 1 327 . 1 1 37 37 PHE HB2 H 1 2.855 0.030 . 2 . . . A 55 PHE HB2 . 11541 1 328 . 1 1 37 37 PHE HB3 H 1 3.217 0.030 . 2 . . . A 55 PHE HB3 . 11541 1 329 . 1 1 37 37 PHE HD1 H 1 7.743 0.030 . 1 . . . A 55 PHE HD1 . 11541 1 330 . 1 1 37 37 PHE HD2 H 1 7.743 0.030 . 1 . . . A 55 PHE HD2 . 11541 1 331 . 1 1 37 37 PHE HE1 H 1 7.261 0.030 . 1 . . . A 55 PHE HE1 . 11541 1 332 . 1 1 37 37 PHE HE2 H 1 7.261 0.030 . 1 . . . A 55 PHE HE2 . 11541 1 333 . 1 1 37 37 PHE HZ H 1 7.130 0.030 . 1 . . . A 55 PHE HZ . 11541 1 334 . 1 1 37 37 PHE CA C 13 61.823 0.300 . 1 . . . A 55 PHE CA . 11541 1 335 . 1 1 37 37 PHE CB C 13 40.054 0.300 . 1 . . . A 55 PHE CB . 11541 1 336 . 1 1 37 37 PHE CD1 C 13 132.267 0.300 . 1 . . . A 55 PHE CD1 . 11541 1 337 . 1 1 37 37 PHE CD2 C 13 132.267 0.300 . 1 . . . A 55 PHE CD2 . 11541 1 338 . 1 1 37 37 PHE CE1 C 13 131.346 0.300 . 1 . . . A 55 PHE CE1 . 11541 1 339 . 1 1 37 37 PHE CE2 C 13 131.346 0.300 . 1 . . . A 55 PHE CE2 . 11541 1 340 . 1 1 37 37 PHE CZ C 13 129.662 0.300 . 1 . . . A 55 PHE CZ . 11541 1 341 . 1 1 37 37 PHE N N 15 113.354 0.300 . 1 . . . A 55 PHE N . 11541 1 342 . 1 1 38 38 GLU H H 1 8.405 0.030 . 1 . . . A 56 GLU H . 11541 1 343 . 1 1 38 38 GLU HA H 1 4.390 0.030 . 1 . . . A 56 GLU HA . 11541 1 344 . 1 1 38 38 GLU HB2 H 1 2.027 0.030 . 2 . . . A 56 GLU HB2 . 11541 1 345 . 1 1 38 38 GLU HB3 H 1 2.119 0.030 . 2 . . . A 56 GLU HB3 . 11541 1 346 . 1 1 38 38 GLU HG2 H 1 2.576 0.030 . 2 . . . A 56 GLU HG2 . 11541 1 347 . 1 1 38 38 GLU HG3 H 1 2.376 0.030 . 2 . . . A 56 GLU HG3 . 11541 1 348 . 1 1 38 38 GLU CA C 13 57.896 0.300 . 1 . . . A 56 GLU CA . 11541 1 349 . 1 1 38 38 GLU CB C 13 28.612 0.300 . 1 . . . A 56 GLU CB . 11541 1 350 . 1 1 38 38 GLU CG C 13 36.056 0.300 . 1 . . . A 56 GLU CG . 11541 1 351 . 1 1 38 38 GLU N N 15 121.209 0.300 . 1 . . . A 56 GLU N . 11541 1 352 . 1 1 39 39 GLN H H 1 6.668 0.030 . 1 . . . A 57 GLN H . 11541 1 353 . 1 1 39 39 GLN HA H 1 4.050 0.030 . 1 . . . A 57 GLN HA . 11541 1 354 . 1 1 39 39 GLN HB2 H 1 1.527 0.030 . 2 . . . A 57 GLN HB2 . 11541 1 355 . 1 1 39 39 GLN HB3 H 1 1.571 0.030 . 2 . . . A 57 GLN HB3 . 11541 1 356 . 1 1 39 39 GLN HG2 H 1 0.027 0.030 . 2 . . . A 57 GLN HG2 . 11541 1 357 . 1 1 39 39 GLN HG3 H 1 1.451 0.030 . 2 . . . A 57 GLN HG3 . 11541 1 358 . 1 1 39 39 GLN HE21 H 1 6.727 0.030 . 2 . . . A 57 GLN HE21 . 11541 1 359 . 1 1 39 39 GLN HE22 H 1 6.008 0.030 . 2 . . . A 57 GLN HE22 . 11541 1 360 . 1 1 39 39 GLN CA C 13 56.671 0.300 . 1 . . . A 57 GLN CA . 11541 1 361 . 1 1 39 39 GLN CB C 13 28.295 0.300 . 1 . . . A 57 GLN CB . 11541 1 362 . 1 1 39 39 GLN CG C 13 30.836 0.300 . 1 . . . A 57 GLN CG . 11541 1 363 . 1 1 39 39 GLN N N 15 114.063 0.300 . 1 . . . A 57 GLN N . 11541 1 364 . 1 1 39 39 GLN NE2 N 15 112.326 0.300 . 1 . . . A 57 GLN NE2 . 11541 1 365 . 1 1 40 40 PHE H H 1 7.607 0.030 . 1 . . . A 58 PHE H . 11541 1 366 . 1 1 40 40 PHE HA H 1 4.689 0.030 . 1 . . . A 58 PHE HA . 11541 1 367 . 1 1 40 40 PHE HB2 H 1 2.858 0.030 . 2 . . . A 58 PHE HB2 . 11541 1 368 . 1 1 40 40 PHE HB3 H 1 3.641 0.030 . 2 . . . A 58 PHE HB3 . 11541 1 369 . 1 1 40 40 PHE HD1 H 1 7.339 0.030 . 1 . . . A 58 PHE HD1 . 11541 1 370 . 1 1 40 40 PHE HD2 H 1 7.339 0.030 . 1 . . . A 58 PHE HD2 . 11541 1 371 . 1 1 40 40 PHE HE1 H 1 6.928 0.030 . 1 . . . A 58 PHE HE1 . 11541 1 372 . 1 1 40 40 PHE HE2 H 1 6.928 0.030 . 1 . . . A 58 PHE HE2 . 11541 1 373 . 1 1 40 40 PHE HZ H 1 7.247 0.030 . 1 . . . A 58 PHE HZ . 11541 1 374 . 1 1 40 40 PHE CA C 13 58.387 0.300 . 1 . . . A 58 PHE CA . 11541 1 375 . 1 1 40 40 PHE CB C 13 39.955 0.300 . 1 . . . A 58 PHE CB . 11541 1 376 . 1 1 40 40 PHE CD1 C 13 131.605 0.300 . 1 . . . A 58 PHE CD1 . 11541 1 377 . 1 1 40 40 PHE CD2 C 13 131.605 0.300 . 1 . . . A 58 PHE CD2 . 11541 1 378 . 1 1 40 40 PHE CE1 C 13 131.956 0.300 . 1 . . . A 58 PHE CE1 . 11541 1 379 . 1 1 40 40 PHE CE2 C 13 131.956 0.300 . 1 . . . A 58 PHE CE2 . 11541 1 380 . 1 1 40 40 PHE CZ C 13 130.598 0.300 . 1 . . . A 58 PHE CZ . 11541 1 381 . 1 1 40 40 PHE N N 15 117.611 0.300 . 1 . . . A 58 PHE N . 11541 1 382 . 1 1 41 41 GLY H H 1 7.293 0.030 . 1 . . . A 59 GLY H . 11541 1 383 . 1 1 41 41 GLY HA2 H 1 3.809 0.030 . 2 . . . A 59 GLY HA2 . 11541 1 384 . 1 1 41 41 GLY HA3 H 1 4.582 0.030 . 2 . . . A 59 GLY HA3 . 11541 1 385 . 1 1 41 41 GLY CA C 13 44.076 0.300 . 1 . . . A 59 GLY CA . 11541 1 386 . 1 1 41 41 GLY N N 15 105.687 0.300 . 1 . . . A 59 GLY N . 11541 1 387 . 1 1 42 42 ASP H H 1 8.228 0.030 . 1 . . . A 60 ASP H . 11541 1 388 . 1 1 42 42 ASP HA H 1 4.689 0.030 . 1 . . . A 60 ASP HA . 11541 1 389 . 1 1 42 42 ASP HB2 H 1 2.514 0.030 . 2 . . . A 60 ASP HB2 . 11541 1 390 . 1 1 42 42 ASP HB3 H 1 2.578 0.030 . 2 . . . A 60 ASP HB3 . 11541 1 391 . 1 1 42 42 ASP CA C 13 54.553 0.300 . 1 . . . A 60 ASP CA . 11541 1 392 . 1 1 42 42 ASP CB C 13 41.498 0.300 . 1 . . . A 60 ASP CB . 11541 1 393 . 1 1 42 42 ASP N N 15 116.955 0.300 . 1 . . . A 60 ASP N . 11541 1 394 . 1 1 43 43 ILE H H 1 8.865 0.030 . 1 . . . A 61 ILE H . 11541 1 395 . 1 1 43 43 ILE HA H 1 4.077 0.030 . 1 . . . A 61 ILE HA . 11541 1 396 . 1 1 43 43 ILE HB H 1 1.500 0.030 . 1 . . . A 61 ILE HB . 11541 1 397 . 1 1 43 43 ILE HG12 H 1 0.894 0.030 . 2 . . . A 61 ILE HG12 . 11541 1 398 . 1 1 43 43 ILE HG13 H 1 1.498 0.030 . 2 . . . A 61 ILE HG13 . 11541 1 399 . 1 1 43 43 ILE HG21 H 1 0.588 0.030 . 1 . . . A 61 ILE HG21 . 11541 1 400 . 1 1 43 43 ILE HG22 H 1 0.588 0.030 . 1 . . . A 61 ILE HG22 . 11541 1 401 . 1 1 43 43 ILE HG23 H 1 0.588 0.030 . 1 . . . A 61 ILE HG23 . 11541 1 402 . 1 1 43 43 ILE HD11 H 1 0.277 0.030 . 1 . . . A 61 ILE HD11 . 11541 1 403 . 1 1 43 43 ILE HD12 H 1 0.277 0.030 . 1 . . . A 61 ILE HD12 . 11541 1 404 . 1 1 43 43 ILE HD13 H 1 0.277 0.030 . 1 . . . A 61 ILE HD13 . 11541 1 405 . 1 1 43 43 ILE CA C 13 61.273 0.300 . 1 . . . A 61 ILE CA . 11541 1 406 . 1 1 43 43 ILE CB C 13 41.194 0.300 . 1 . . . A 61 ILE CB . 11541 1 407 . 1 1 43 43 ILE CG1 C 13 27.189 0.300 . 1 . . . A 61 ILE CG1 . 11541 1 408 . 1 1 43 43 ILE CG2 C 13 18.282 0.300 . 1 . . . A 61 ILE CG2 . 11541 1 409 . 1 1 43 43 ILE CD1 C 13 14.179 0.300 . 1 . . . A 61 ILE CD1 . 11541 1 410 . 1 1 43 43 ILE N N 15 124.051 0.300 . 1 . . . A 61 ILE N . 11541 1 411 . 1 1 44 44 GLU H H 1 9.152 0.030 . 1 . . . A 62 GLU H . 11541 1 412 . 1 1 44 44 GLU HA H 1 4.374 0.030 . 1 . . . A 62 GLU HA . 11541 1 413 . 1 1 44 44 GLU HB2 H 1 1.679 0.030 . 2 . . . A 62 GLU HB2 . 11541 1 414 . 1 1 44 44 GLU HB3 H 1 1.786 0.030 . 2 . . . A 62 GLU HB3 . 11541 1 415 . 1 1 44 44 GLU HG2 H 1 2.081 0.030 . 1 . . . A 62 GLU HG2 . 11541 1 416 . 1 1 44 44 GLU HG3 H 1 2.081 0.030 . 1 . . . A 62 GLU HG3 . 11541 1 417 . 1 1 44 44 GLU CA C 13 57.596 0.300 . 1 . . . A 62 GLU CA . 11541 1 418 . 1 1 44 44 GLU CB C 13 30.584 0.300 . 1 . . . A 62 GLU CB . 11541 1 419 . 1 1 44 44 GLU CG C 13 35.423 0.300 . 1 . . . A 62 GLU CG . 11541 1 420 . 1 1 44 44 GLU N N 15 128.135 0.300 . 1 . . . A 62 GLU N . 11541 1 421 . 1 1 45 45 GLU H H 1 7.576 0.030 . 1 . . . A 63 GLU H . 11541 1 422 . 1 1 45 45 GLU HA H 1 4.504 0.030 . 1 . . . A 63 GLU HA . 11541 1 423 . 1 1 45 45 GLU HB2 H 1 2.095 0.030 . 2 . . . A 63 GLU HB2 . 11541 1 424 . 1 1 45 45 GLU HB3 H 1 1.956 0.030 . 2 . . . A 63 GLU HB3 . 11541 1 425 . 1 1 45 45 GLU HG2 H 1 1.972 0.030 . 2 . . . A 63 GLU HG2 . 11541 1 426 . 1 1 45 45 GLU HG3 H 1 2.341 0.030 . 2 . . . A 63 GLU HG3 . 11541 1 427 . 1 1 45 45 GLU CA C 13 55.694 0.300 . 1 . . . A 63 GLU CA . 11541 1 428 . 1 1 45 45 GLU CB C 13 33.563 0.300 . 1 . . . A 63 GLU CB . 11541 1 429 . 1 1 45 45 GLU CG C 13 36.972 0.300 . 1 . . . A 63 GLU CG . 11541 1 430 . 1 1 45 45 GLU N N 15 118.510 0.300 . 1 . . . A 63 GLU N . 11541 1 431 . 1 1 46 46 ALA H H 1 8.980 0.030 . 1 . . . A 64 ALA H . 11541 1 432 . 1 1 46 46 ALA HA H 1 5.238 0.030 . 1 . . . A 64 ALA HA . 11541 1 433 . 1 1 46 46 ALA HB1 H 1 1.307 0.030 . 1 . . . A 64 ALA HB1 . 11541 1 434 . 1 1 46 46 ALA HB2 H 1 1.307 0.030 . 1 . . . A 64 ALA HB2 . 11541 1 435 . 1 1 46 46 ALA HB3 H 1 1.307 0.030 . 1 . . . A 64 ALA HB3 . 11541 1 436 . 1 1 46 46 ALA CA C 13 51.625 0.300 . 1 . . . A 64 ALA CA . 11541 1 437 . 1 1 46 46 ALA CB C 13 20.550 0.300 . 1 . . . A 64 ALA CB . 11541 1 438 . 1 1 46 46 ALA N N 15 130.550 0.300 . 1 . . . A 64 ALA N . 11541 1 439 . 1 1 47 47 VAL H H 1 8.855 0.030 . 1 . . . A 65 VAL H . 11541 1 440 . 1 1 47 47 VAL HA H 1 4.721 0.030 . 1 . . . A 65 VAL HA . 11541 1 441 . 1 1 47 47 VAL HB H 1 1.903 0.030 . 1 . . . A 65 VAL HB . 11541 1 442 . 1 1 47 47 VAL HG11 H 1 0.918 0.030 . 1 . . . A 65 VAL HG11 . 11541 1 443 . 1 1 47 47 VAL HG12 H 1 0.918 0.030 . 1 . . . A 65 VAL HG12 . 11541 1 444 . 1 1 47 47 VAL HG13 H 1 0.918 0.030 . 1 . . . A 65 VAL HG13 . 11541 1 445 . 1 1 47 47 VAL CA C 13 58.616 0.300 . 1 . . . A 65 VAL CA . 11541 1 446 . 1 1 47 47 VAL CB C 13 36.188 0.300 . 1 . . . A 65 VAL CB . 11541 1 447 . 1 1 47 47 VAL CG1 C 13 20.082 0.300 . 2 . . . A 65 VAL CG1 . 11541 1 448 . 1 1 47 47 VAL CG2 C 13 20.111 0.300 . 2 . . . A 65 VAL CG2 . 11541 1 449 . 1 1 47 47 VAL N N 15 119.837 0.300 . 1 . . . A 65 VAL N . 11541 1 450 . 1 1 48 48 VAL H H 1 8.439 0.030 . 1 . . . A 66 VAL H . 11541 1 451 . 1 1 48 48 VAL HA H 1 3.709 0.030 . 1 . . . A 66 VAL HA . 11541 1 452 . 1 1 48 48 VAL HB H 1 1.823 0.030 . 1 . . . A 66 VAL HB . 11541 1 453 . 1 1 48 48 VAL HG11 H 1 0.676 0.030 . 1 . . . A 66 VAL HG11 . 11541 1 454 . 1 1 48 48 VAL HG12 H 1 0.676 0.030 . 1 . . . A 66 VAL HG12 . 11541 1 455 . 1 1 48 48 VAL HG13 H 1 0.676 0.030 . 1 . . . A 66 VAL HG13 . 11541 1 456 . 1 1 48 48 VAL HG21 H 1 0.545 0.030 . 1 . . . A 66 VAL HG21 . 11541 1 457 . 1 1 48 48 VAL HG22 H 1 0.545 0.030 . 1 . . . A 66 VAL HG22 . 11541 1 458 . 1 1 48 48 VAL HG23 H 1 0.545 0.030 . 1 . . . A 66 VAL HG23 . 11541 1 459 . 1 1 48 48 VAL CA C 13 62.116 0.300 . 1 . . . A 66 VAL CA . 11541 1 460 . 1 1 48 48 VAL CB C 13 32.923 0.300 . 1 . . . A 66 VAL CB . 11541 1 461 . 1 1 48 48 VAL CG1 C 13 20.739 0.300 . 2 . . . A 66 VAL CG1 . 11541 1 462 . 1 1 48 48 VAL CG2 C 13 22.058 0.300 . 2 . . . A 66 VAL CG2 . 11541 1 463 . 1 1 48 48 VAL N N 15 125.138 0.300 . 1 . . . A 66 VAL N . 11541 1 464 . 1 1 49 49 ILE H H 1 8.211 0.030 . 1 . . . A 67 ILE H . 11541 1 465 . 1 1 49 49 ILE HA H 1 4.091 0.030 . 1 . . . A 67 ILE HA . 11541 1 466 . 1 1 49 49 ILE HB H 1 0.883 0.030 . 1 . . . A 67 ILE HB . 11541 1 467 . 1 1 49 49 ILE HG12 H 1 1.337 0.030 . 1 . . . A 67 ILE HG12 . 11541 1 468 . 1 1 49 49 ILE HG13 H 1 1.337 0.030 . 1 . . . A 67 ILE HG13 . 11541 1 469 . 1 1 49 49 ILE HG21 H 1 0.892 0.030 . 1 . . . A 67 ILE HG21 . 11541 1 470 . 1 1 49 49 ILE HG22 H 1 0.892 0.030 . 1 . . . A 67 ILE HG22 . 11541 1 471 . 1 1 49 49 ILE HG23 H 1 0.892 0.030 . 1 . . . A 67 ILE HG23 . 11541 1 472 . 1 1 49 49 ILE HD11 H 1 0.756 0.030 . 1 . . . A 67 ILE HD11 . 11541 1 473 . 1 1 49 49 ILE HD12 H 1 0.756 0.030 . 1 . . . A 67 ILE HD12 . 11541 1 474 . 1 1 49 49 ILE HD13 H 1 0.756 0.030 . 1 . . . A 67 ILE HD13 . 11541 1 475 . 1 1 49 49 ILE CA C 13 58.579 0.300 . 1 . . . A 67 ILE CA . 11541 1 476 . 1 1 49 49 ILE CB C 13 33.793 0.300 . 1 . . . A 67 ILE CB . 11541 1 477 . 1 1 49 49 ILE CG1 C 13 27.137 0.300 . 1 . . . A 67 ILE CG1 . 11541 1 478 . 1 1 49 49 ILE CG2 C 13 17.237 0.300 . 1 . . . A 67 ILE CG2 . 11541 1 479 . 1 1 49 49 ILE CD1 C 13 8.820 0.300 . 1 . . . A 67 ILE CD1 . 11541 1 480 . 1 1 49 49 ILE N N 15 129.288 0.300 . 1 . . . A 67 ILE N . 11541 1 481 . 1 1 50 50 THR H H 1 7.984 0.030 . 1 . . . A 68 THR H . 11541 1 482 . 1 1 50 50 THR HA H 1 4.769 0.030 . 1 . . . A 68 THR HA . 11541 1 483 . 1 1 50 50 THR HB H 1 3.640 0.030 . 1 . . . A 68 THR HB . 11541 1 484 . 1 1 50 50 THR HG21 H 1 0.948 0.030 . 1 . . . A 68 THR HG21 . 11541 1 485 . 1 1 50 50 THR HG22 H 1 0.948 0.030 . 1 . . . A 68 THR HG22 . 11541 1 486 . 1 1 50 50 THR HG23 H 1 0.948 0.030 . 1 . . . A 68 THR HG23 . 11541 1 487 . 1 1 50 50 THR CA C 13 58.885 0.300 . 1 . . . A 68 THR CA . 11541 1 488 . 1 1 50 50 THR CB C 13 71.909 0.300 . 1 . . . A 68 THR CB . 11541 1 489 . 1 1 50 50 THR CG2 C 13 21.226 0.300 . 1 . . . A 68 THR CG2 . 11541 1 490 . 1 1 50 50 THR N N 15 116.144 0.300 . 1 . . . A 68 THR N . 11541 1 491 . 1 1 51 51 ASP H H 1 8.593 0.030 . 1 . . . A 69 ASP H . 11541 1 492 . 1 1 51 51 ASP HA H 1 4.577 0.030 . 1 . . . A 69 ASP HA . 11541 1 493 . 1 1 51 51 ASP HB2 H 1 3.090 0.030 . 2 . . . A 69 ASP HB2 . 11541 1 494 . 1 1 51 51 ASP HB3 H 1 2.454 0.030 . 2 . . . A 69 ASP HB3 . 11541 1 495 . 1 1 51 51 ASP CA C 13 53.804 0.300 . 1 . . . A 69 ASP CA . 11541 1 496 . 1 1 51 51 ASP CB C 13 42.669 0.300 . 1 . . . A 69 ASP CB . 11541 1 497 . 1 1 51 51 ASP N N 15 122.240 0.300 . 1 . . . A 69 ASP N . 11541 1 498 . 1 1 52 52 ARG H H 1 9.037 0.030 . 1 . . . A 70 ARG H . 11541 1 499 . 1 1 52 52 ARG HA H 1 4.036 0.030 . 1 . . . A 70 ARG HA . 11541 1 500 . 1 1 52 52 ARG HB2 H 1 1.821 0.030 . 1 . . . A 70 ARG HB2 . 11541 1 501 . 1 1 52 52 ARG HB3 H 1 1.821 0.030 . 1 . . . A 70 ARG HB3 . 11541 1 502 . 1 1 52 52 ARG HG2 H 1 1.672 0.030 . 1 . . . A 70 ARG HG2 . 11541 1 503 . 1 1 52 52 ARG HG3 H 1 1.672 0.030 . 1 . . . A 70 ARG HG3 . 11541 1 504 . 1 1 52 52 ARG HD2 H 1 3.181 0.030 . 1 . . . A 70 ARG HD2 . 11541 1 505 . 1 1 52 52 ARG HD3 H 1 3.181 0.030 . 1 . . . A 70 ARG HD3 . 11541 1 506 . 1 1 52 52 ARG CA C 13 58.290 0.300 . 1 . . . A 70 ARG CA . 11541 1 507 . 1 1 52 52 ARG CB C 13 29.911 0.300 . 1 . . . A 70 ARG CB . 11541 1 508 . 1 1 52 52 ARG CG C 13 27.043 0.300 . 1 . . . A 70 ARG CG . 11541 1 509 . 1 1 52 52 ARG CD C 13 43.138 0.300 . 1 . . . A 70 ARG CD . 11541 1 510 . 1 1 52 52 ARG N N 15 126.575 0.300 . 1 . . . A 70 ARG N . 11541 1 511 . 1 1 53 53 ASN H H 1 8.828 0.030 . 1 . . . A 71 ASN H . 11541 1 512 . 1 1 53 53 ASN HA H 1 4.711 0.030 . 1 . . . A 71 ASN HA . 11541 1 513 . 1 1 53 53 ASN HB2 H 1 2.975 0.030 . 2 . . . A 71 ASN HB2 . 11541 1 514 . 1 1 53 53 ASN HB3 H 1 2.824 0.030 . 2 . . . A 71 ASN HB3 . 11541 1 515 . 1 1 53 53 ASN HD21 H 1 7.050 0.030 . 2 . . . A 71 ASN HD21 . 11541 1 516 . 1 1 53 53 ASN HD22 H 1 7.940 0.030 . 2 . . . A 71 ASN HD22 . 11541 1 517 . 1 1 53 53 ASN CA C 13 55.195 0.300 . 1 . . . A 71 ASN CA . 11541 1 518 . 1 1 53 53 ASN CB C 13 39.055 0.300 . 1 . . . A 71 ASN CB . 11541 1 519 . 1 1 53 53 ASN N N 15 115.564 0.300 . 1 . . . A 71 ASN N . 11541 1 520 . 1 1 53 53 ASN ND2 N 15 114.648 0.300 . 1 . . . A 71 ASN ND2 . 11541 1 521 . 1 1 54 54 THR H H 1 8.103 0.030 . 1 . . . A 72 THR H . 11541 1 522 . 1 1 54 54 THR HA H 1 4.347 0.030 . 1 . . . A 72 THR HA . 11541 1 523 . 1 1 54 54 THR HB H 1 4.304 0.030 . 1 . . . A 72 THR HB . 11541 1 524 . 1 1 54 54 THR HG21 H 1 1.152 0.030 . 1 . . . A 72 THR HG21 . 11541 1 525 . 1 1 54 54 THR HG22 H 1 1.152 0.030 . 1 . . . A 72 THR HG22 . 11541 1 526 . 1 1 54 54 THR HG23 H 1 1.152 0.030 . 1 . . . A 72 THR HG23 . 11541 1 527 . 1 1 54 54 THR CA C 13 61.670 0.300 . 1 . . . A 72 THR CA . 11541 1 528 . 1 1 54 54 THR CB C 13 70.687 0.300 . 1 . . . A 72 THR CB . 11541 1 529 . 1 1 54 54 THR CG2 C 13 21.058 0.300 . 1 . . . A 72 THR CG2 . 11541 1 530 . 1 1 54 54 THR N N 15 108.325 0.300 . 1 . . . A 72 THR N . 11541 1 531 . 1 1 55 55 GLN H H 1 8.313 0.030 . 1 . . . A 73 GLN H . 11541 1 532 . 1 1 55 55 GLN HA H 1 3.947 0.030 . 1 . . . A 73 GLN HA . 11541 1 533 . 1 1 55 55 GLN HB2 H 1 2.359 0.030 . 1 . . . A 73 GLN HB2 . 11541 1 534 . 1 1 55 55 GLN HB3 H 1 2.359 0.030 . 1 . . . A 73 GLN HB3 . 11541 1 535 . 1 1 55 55 GLN HG2 H 1 2.265 0.030 . 1 . . . A 73 GLN HG2 . 11541 1 536 . 1 1 55 55 GLN HG3 H 1 2.265 0.030 . 1 . . . A 73 GLN HG3 . 11541 1 537 . 1 1 55 55 GLN HE21 H 1 7.430 0.030 . 2 . . . A 73 GLN HE21 . 11541 1 538 . 1 1 55 55 GLN HE22 H 1 6.761 0.030 . 2 . . . A 73 GLN HE22 . 11541 1 539 . 1 1 55 55 GLN CA C 13 57.417 0.300 . 1 . . . A 73 GLN CA . 11541 1 540 . 1 1 55 55 GLN CB C 13 25.979 0.300 . 1 . . . A 73 GLN CB . 11541 1 541 . 1 1 55 55 GLN CG C 13 34.263 0.300 . 1 . . . A 73 GLN CG . 11541 1 542 . 1 1 55 55 GLN N N 15 114.676 0.300 . 1 . . . A 73 GLN N . 11541 1 543 . 1 1 55 55 GLN NE2 N 15 113.007 0.300 . 1 . . . A 73 GLN NE2 . 11541 1 544 . 1 1 56 56 LYS H H 1 7.650 0.030 . 1 . . . A 74 LYS H . 11541 1 545 . 1 1 56 56 LYS HA H 1 4.357 0.030 . 1 . . . A 74 LYS HA . 11541 1 546 . 1 1 56 56 LYS HB2 H 1 1.763 0.030 . 2 . . . A 74 LYS HB2 . 11541 1 547 . 1 1 56 56 LYS HB3 H 1 1.563 0.030 . 2 . . . A 74 LYS HB3 . 11541 1 548 . 1 1 56 56 LYS HG2 H 1 1.367 0.030 . 1 . . . A 74 LYS HG2 . 11541 1 549 . 1 1 56 56 LYS HG3 H 1 1.367 0.030 . 1 . . . A 74 LYS HG3 . 11541 1 550 . 1 1 56 56 LYS HD2 H 1 1.539 0.030 . 1 . . . A 74 LYS HD2 . 11541 1 551 . 1 1 56 56 LYS HD3 H 1 1.539 0.030 . 1 . . . A 74 LYS HD3 . 11541 1 552 . 1 1 56 56 LYS HE2 H 1 2.808 0.030 . 2 . . . A 74 LYS HE2 . 11541 1 553 . 1 1 56 56 LYS HE3 H 1 2.736 0.030 . 2 . . . A 74 LYS HE3 . 11541 1 554 . 1 1 56 56 LYS CA C 13 55.305 0.300 . 1 . . . A 74 LYS CA . 11541 1 555 . 1 1 56 56 LYS CB C 13 33.548 0.300 . 1 . . . A 74 LYS CB . 11541 1 556 . 1 1 56 56 LYS CG C 13 24.763 0.300 . 1 . . . A 74 LYS CG . 11541 1 557 . 1 1 56 56 LYS CD C 13 28.754 0.300 . 1 . . . A 74 LYS CD . 11541 1 558 . 1 1 56 56 LYS CE C 13 38.686 0.300 . 1 . . . A 74 LYS CE . 11541 1 559 . 1 1 56 56 LYS N N 15 118.157 0.300 . 1 . . . A 74 LYS N . 11541 1 560 . 1 1 57 57 SER H H 1 8.739 0.030 . 1 . . . A 75 SER H . 11541 1 561 . 1 1 57 57 SER HA H 1 4.144 0.030 . 1 . . . A 75 SER HA . 11541 1 562 . 1 1 57 57 SER HB2 H 1 4.174 0.030 . 2 . . . A 75 SER HB2 . 11541 1 563 . 1 1 57 57 SER HB3 H 1 4.045 0.030 . 2 . . . A 75 SER HB3 . 11541 1 564 . 1 1 57 57 SER CA C 13 58.221 0.300 . 1 . . . A 75 SER CA . 11541 1 565 . 1 1 57 57 SER CB C 13 64.420 0.300 . 1 . . . A 75 SER CB . 11541 1 566 . 1 1 57 57 SER N N 15 116.619 0.300 . 1 . . . A 75 SER N . 11541 1 567 . 1 1 58 58 ARG H H 1 9.102 0.030 . 1 . . . A 76 ARG H . 11541 1 568 . 1 1 58 58 ARG HA H 1 4.534 0.030 . 1 . . . A 76 ARG HA . 11541 1 569 . 1 1 58 58 ARG HB2 H 1 1.403 0.030 . 2 . . . A 76 ARG HB2 . 11541 1 570 . 1 1 58 58 ARG HB3 H 1 2.358 0.030 . 2 . . . A 76 ARG HB3 . 11541 1 571 . 1 1 58 58 ARG HG2 H 1 1.582 0.030 . 2 . . . A 76 ARG HG2 . 11541 1 572 . 1 1 58 58 ARG HG3 H 1 1.682 0.030 . 2 . . . A 76 ARG HG3 . 11541 1 573 . 1 1 58 58 ARG HD2 H 1 3.359 0.030 . 2 . . . A 76 ARG HD2 . 11541 1 574 . 1 1 58 58 ARG HD3 H 1 3.160 0.030 . 2 . . . A 76 ARG HD3 . 11541 1 575 . 1 1 58 58 ARG HE H 1 7.278 0.030 . 1 . . . A 76 ARG HE . 11541 1 576 . 1 1 58 58 ARG CA C 13 55.895 0.300 . 1 . . . A 76 ARG CA . 11541 1 577 . 1 1 58 58 ARG CB C 13 30.879 0.300 . 1 . . . A 76 ARG CB . 11541 1 578 . 1 1 58 58 ARG CG C 13 27.747 0.300 . 1 . . . A 76 ARG CG . 11541 1 579 . 1 1 58 58 ARG CD C 13 43.226 0.300 . 1 . . . A 76 ARG CD . 11541 1 580 . 1 1 58 58 ARG N N 15 123.319 0.300 . 1 . . . A 76 ARG N . 11541 1 581 . 1 1 59 59 GLY H H 1 9.776 0.030 . 1 . . . A 77 GLY H . 11541 1 582 . 1 1 59 59 GLY HA2 H 1 4.259 0.030 . 2 . . . A 77 GLY HA2 . 11541 1 583 . 1 1 59 59 GLY HA3 H 1 3.200 0.030 . 2 . . . A 77 GLY HA3 . 11541 1 584 . 1 1 59 59 GLY CA C 13 45.538 0.300 . 1 . . . A 77 GLY CA . 11541 1 585 . 1 1 59 59 GLY N N 15 108.200 0.300 . 1 . . . A 77 GLY N . 11541 1 586 . 1 1 60 60 TYR H H 1 7.073 0.030 . 1 . . . A 78 TYR H . 11541 1 587 . 1 1 60 60 TYR HA H 1 4.908 0.030 . 1 . . . A 78 TYR HA . 11541 1 588 . 1 1 60 60 TYR HB2 H 1 2.469 0.030 . 2 . . . A 78 TYR HB2 . 11541 1 589 . 1 1 60 60 TYR HB3 H 1 2.071 0.030 . 2 . . . A 78 TYR HB3 . 11541 1 590 . 1 1 60 60 TYR HD1 H 1 6.572 0.030 . 1 . . . A 78 TYR HD1 . 11541 1 591 . 1 1 60 60 TYR HD2 H 1 6.572 0.030 . 1 . . . A 78 TYR HD2 . 11541 1 592 . 1 1 60 60 TYR CA C 13 54.699 0.300 . 1 . . . A 78 TYR CA . 11541 1 593 . 1 1 60 60 TYR CB C 13 40.733 0.300 . 1 . . . A 78 TYR CB . 11541 1 594 . 1 1 60 60 TYR CD1 C 13 131.470 0.300 . 1 . . . A 78 TYR CD1 . 11541 1 595 . 1 1 60 60 TYR CD2 C 13 131.470 0.300 . 1 . . . A 78 TYR CD2 . 11541 1 596 . 1 1 60 60 TYR N N 15 111.550 0.300 . 1 . . . A 78 TYR N . 11541 1 597 . 1 1 61 61 GLY H H 1 8.706 0.030 . 1 . . . A 79 GLY H . 11541 1 598 . 1 1 61 61 GLY HA2 H 1 3.772 0.030 . 2 . . . A 79 GLY HA2 . 11541 1 599 . 1 1 61 61 GLY HA3 H 1 3.883 0.030 . 2 . . . A 79 GLY HA3 . 11541 1 600 . 1 1 61 61 GLY CA C 13 44.846 0.300 . 1 . . . A 79 GLY CA . 11541 1 601 . 1 1 61 61 GLY N N 15 106.821 0.300 . 1 . . . A 79 GLY N . 11541 1 602 . 1 1 62 62 PHE H H 1 8.383 0.030 . 1 . . . A 80 PHE H . 11541 1 603 . 1 1 62 62 PHE HA H 1 5.522 0.030 . 1 . . . A 80 PHE HA . 11541 1 604 . 1 1 62 62 PHE HB2 H 1 2.762 0.030 . 2 . . . A 80 PHE HB2 . 11541 1 605 . 1 1 62 62 PHE HB3 H 1 2.151 0.030 . 2 . . . A 80 PHE HB3 . 11541 1 606 . 1 1 62 62 PHE HD1 H 1 6.582 0.030 . 1 . . . A 80 PHE HD1 . 11541 1 607 . 1 1 62 62 PHE HD2 H 1 6.582 0.030 . 1 . . . A 80 PHE HD2 . 11541 1 608 . 1 1 62 62 PHE HE1 H 1 7.191 0.030 . 1 . . . A 80 PHE HE1 . 11541 1 609 . 1 1 62 62 PHE HE2 H 1 7.191 0.030 . 1 . . . A 80 PHE HE2 . 11541 1 610 . 1 1 62 62 PHE HZ H 1 7.239 0.030 . 1 . . . A 80 PHE HZ . 11541 1 611 . 1 1 62 62 PHE CA C 13 55.792 0.300 . 1 . . . A 80 PHE CA . 11541 1 612 . 1 1 62 62 PHE CB C 13 44.188 0.300 . 1 . . . A 80 PHE CB . 11541 1 613 . 1 1 62 62 PHE CD1 C 13 131.025 0.300 . 1 . . . A 80 PHE CD1 . 11541 1 614 . 1 1 62 62 PHE CD2 C 13 131.025 0.300 . 1 . . . A 80 PHE CD2 . 11541 1 615 . 1 1 62 62 PHE CE1 C 13 130.710 0.300 . 1 . . . A 80 PHE CE1 . 11541 1 616 . 1 1 62 62 PHE CE2 C 13 130.710 0.300 . 1 . . . A 80 PHE CE2 . 11541 1 617 . 1 1 62 62 PHE CZ C 13 128.380 0.300 . 1 . . . A 80 PHE CZ . 11541 1 618 . 1 1 62 62 PHE N N 15 112.553 0.300 . 1 . . . A 80 PHE N . 11541 1 619 . 1 1 63 63 VAL H H 1 8.782 0.030 . 1 . . . A 81 VAL H . 11541 1 620 . 1 1 63 63 VAL HA H 1 4.792 0.030 . 1 . . . A 81 VAL HA . 11541 1 621 . 1 1 63 63 VAL HB H 1 1.067 0.030 . 1 . . . A 81 VAL HB . 11541 1 622 . 1 1 63 63 VAL HG11 H 1 0.238 0.030 . 1 . . . A 81 VAL HG11 . 11541 1 623 . 1 1 63 63 VAL HG12 H 1 0.238 0.030 . 1 . . . A 81 VAL HG12 . 11541 1 624 . 1 1 63 63 VAL HG13 H 1 0.238 0.030 . 1 . . . A 81 VAL HG13 . 11541 1 625 . 1 1 63 63 VAL HG21 H 1 0.516 0.030 . 1 . . . A 81 VAL HG21 . 11541 1 626 . 1 1 63 63 VAL HG22 H 1 0.516 0.030 . 1 . . . A 81 VAL HG22 . 11541 1 627 . 1 1 63 63 VAL HG23 H 1 0.516 0.030 . 1 . . . A 81 VAL HG23 . 11541 1 628 . 1 1 63 63 VAL CA C 13 60.300 0.300 . 1 . . . A 81 VAL CA . 11541 1 629 . 1 1 63 63 VAL CB C 13 35.198 0.300 . 1 . . . A 81 VAL CB . 11541 1 630 . 1 1 63 63 VAL CG1 C 13 20.943 0.300 . 2 . . . A 81 VAL CG1 . 11541 1 631 . 1 1 63 63 VAL CG2 C 13 21.523 0.300 . 2 . . . A 81 VAL CG2 . 11541 1 632 . 1 1 63 63 VAL N N 15 120.960 0.300 . 1 . . . A 81 VAL N . 11541 1 633 . 1 1 64 64 THR H H 1 9.572 0.030 . 1 . . . A 82 THR H . 11541 1 634 . 1 1 64 64 THR HA H 1 5.221 0.030 . 1 . . . A 82 THR HA . 11541 1 635 . 1 1 64 64 THR HB H 1 3.895 0.030 . 1 . . . A 82 THR HB . 11541 1 636 . 1 1 64 64 THR HG21 H 1 1.136 0.030 . 1 . . . A 82 THR HG21 . 11541 1 637 . 1 1 64 64 THR HG22 H 1 1.136 0.030 . 1 . . . A 82 THR HG22 . 11541 1 638 . 1 1 64 64 THR HG23 H 1 1.136 0.030 . 1 . . . A 82 THR HG23 . 11541 1 639 . 1 1 64 64 THR CA C 13 61.431 0.300 . 1 . . . A 82 THR CA . 11541 1 640 . 1 1 64 64 THR CB C 13 69.309 0.300 . 1 . . . A 82 THR CB . 11541 1 641 . 1 1 64 64 THR CG2 C 13 20.903 0.300 . 1 . . . A 82 THR CG2 . 11541 1 642 . 1 1 64 64 THR N N 15 124.905 0.300 . 1 . . . A 82 THR N . 11541 1 643 . 1 1 65 65 MET H H 1 8.412 0.030 . 1 . . . A 83 MET H . 11541 1 644 . 1 1 65 65 MET HA H 1 5.067 0.030 . 1 . . . A 83 MET HA . 11541 1 645 . 1 1 65 65 MET HB2 H 1 2.223 0.030 . 2 . . . A 83 MET HB2 . 11541 1 646 . 1 1 65 65 MET HB3 H 1 2.543 0.030 . 2 . . . A 83 MET HB3 . 11541 1 647 . 1 1 65 65 MET HG2 H 1 1.966 0.030 . 2 . . . A 83 MET HG2 . 11541 1 648 . 1 1 65 65 MET HG3 H 1 2.539 0.030 . 2 . . . A 83 MET HG3 . 11541 1 649 . 1 1 65 65 MET HE1 H 1 1.903 0.030 . 1 . . . A 83 MET HE1 . 11541 1 650 . 1 1 65 65 MET HE2 H 1 1.903 0.030 . 1 . . . A 83 MET HE2 . 11541 1 651 . 1 1 65 65 MET HE3 H 1 1.903 0.030 . 1 . . . A 83 MET HE3 . 11541 1 652 . 1 1 65 65 MET CA C 13 52.541 0.300 . 1 . . . A 83 MET CA . 11541 1 653 . 1 1 65 65 MET CB C 13 32.171 0.300 . 1 . . . A 83 MET CB . 11541 1 654 . 1 1 65 65 MET CG C 13 31.564 0.300 . 1 . . . A 83 MET CG . 11541 1 655 . 1 1 65 65 MET CE C 13 16.653 0.300 . 1 . . . A 83 MET CE . 11541 1 656 . 1 1 65 65 MET N N 15 125.053 0.300 . 1 . . . A 83 MET N . 11541 1 657 . 1 1 66 66 LYS H H 1 8.341 0.030 . 1 . . . A 84 LYS H . 11541 1 658 . 1 1 66 66 LYS HA H 1 4.076 0.030 . 1 . . . A 84 LYS HA . 11541 1 659 . 1 1 66 66 LYS HB2 H 1 1.708 0.030 . 2 . . . A 84 LYS HB2 . 11541 1 660 . 1 1 66 66 LYS HB3 H 1 1.874 0.030 . 2 . . . A 84 LYS HB3 . 11541 1 661 . 1 1 66 66 LYS HG2 H 1 1.337 0.030 . 1 . . . A 84 LYS HG2 . 11541 1 662 . 1 1 66 66 LYS HG3 H 1 1.337 0.030 . 1 . . . A 84 LYS HG3 . 11541 1 663 . 1 1 66 66 LYS HD2 H 1 1.683 0.030 . 1 . . . A 84 LYS HD2 . 11541 1 664 . 1 1 66 66 LYS HD3 H 1 1.683 0.030 . 1 . . . A 84 LYS HD3 . 11541 1 665 . 1 1 66 66 LYS HE2 H 1 2.910 0.030 . 1 . . . A 84 LYS HE2 . 11541 1 666 . 1 1 66 66 LYS HE3 H 1 2.910 0.030 . 1 . . . A 84 LYS HE3 . 11541 1 667 . 1 1 66 66 LYS CA C 13 58.854 0.300 . 1 . . . A 84 LYS CA . 11541 1 668 . 1 1 66 66 LYS CB C 13 32.957 0.300 . 1 . . . A 84 LYS CB . 11541 1 669 . 1 1 66 66 LYS CG C 13 25.943 0.300 . 1 . . . A 84 LYS CG . 11541 1 670 . 1 1 66 66 LYS CD C 13 29.095 0.300 . 1 . . . A 84 LYS CD . 11541 1 671 . 1 1 66 66 LYS CE C 13 41.817 0.300 . 1 . . . A 84 LYS CE . 11541 1 672 . 1 1 66 66 LYS N N 15 117.326 0.300 . 1 . . . A 84 LYS N . 11541 1 673 . 1 1 67 67 ASP H H 1 7.720 0.030 . 1 . . . A 85 ASP H . 11541 1 674 . 1 1 67 67 ASP HB2 H 1 2.713 0.030 . 2 . . . A 85 ASP HB2 . 11541 1 675 . 1 1 67 67 ASP HB3 H 1 2.971 0.030 . 2 . . . A 85 ASP HB3 . 11541 1 676 . 1 1 67 67 ASP CB C 13 43.832 0.300 . 1 . . . A 85 ASP CB . 11541 1 677 . 1 1 67 67 ASP N N 15 111.900 0.300 . 1 . . . A 85 ASP N . 11541 1 678 . 1 1 68 68 ARG H H 1 8.758 0.030 . 1 . . . A 86 ARG H . 11541 1 679 . 1 1 68 68 ARG HA H 1 4.033 0.030 . 1 . . . A 86 ARG HA . 11541 1 680 . 1 1 68 68 ARG HB2 H 1 1.822 0.030 . 2 . . . A 86 ARG HB2 . 11541 1 681 . 1 1 68 68 ARG HB3 H 1 1.887 0.030 . 2 . . . A 86 ARG HB3 . 11541 1 682 . 1 1 68 68 ARG HG2 H 1 1.799 0.030 . 2 . . . A 86 ARG HG2 . 11541 1 683 . 1 1 68 68 ARG HG3 H 1 1.614 0.030 . 2 . . . A 86 ARG HG3 . 11541 1 684 . 1 1 68 68 ARG HD2 H 1 2.953 0.030 . 2 . . . A 86 ARG HD2 . 11541 1 685 . 1 1 68 68 ARG HD3 H 1 3.022 0.030 . 2 . . . A 86 ARG HD3 . 11541 1 686 . 1 1 68 68 ARG CA C 13 57.908 0.300 . 1 . . . A 86 ARG CA . 11541 1 687 . 1 1 68 68 ARG CB C 13 30.299 0.300 . 1 . . . A 86 ARG CB . 11541 1 688 . 1 1 68 68 ARG CG C 13 26.557 0.300 . 1 . . . A 86 ARG CG . 11541 1 689 . 1 1 68 68 ARG CD C 13 43.732 0.300 . 1 . . . A 86 ARG CD . 11541 1 690 . 1 1 68 68 ARG N N 15 121.565 0.300 . 1 . . . A 86 ARG N . 11541 1 691 . 1 1 69 69 ALA H H 1 8.703 0.030 . 1 . . . A 87 ALA H . 11541 1 692 . 1 1 69 69 ALA HA H 1 4.213 0.030 . 1 . . . A 87 ALA HA . 11541 1 693 . 1 1 69 69 ALA HB1 H 1 1.494 0.030 . 1 . . . A 87 ALA HB1 . 11541 1 694 . 1 1 69 69 ALA HB2 H 1 1.494 0.030 . 1 . . . A 87 ALA HB2 . 11541 1 695 . 1 1 69 69 ALA HB3 H 1 1.494 0.030 . 1 . . . A 87 ALA HB3 . 11541 1 696 . 1 1 69 69 ALA CA C 13 55.271 0.300 . 1 . . . A 87 ALA CA . 11541 1 697 . 1 1 69 69 ALA CB C 13 17.808 0.300 . 1 . . . A 87 ALA CB . 11541 1 698 . 1 1 69 69 ALA N N 15 123.406 0.300 . 1 . . . A 87 ALA N . 11541 1 699 . 1 1 70 70 SER H H 1 8.351 0.030 . 1 . . . A 88 SER H . 11541 1 700 . 1 1 70 70 SER HA H 1 4.312 0.030 . 1 . . . A 88 SER HA . 11541 1 701 . 1 1 70 70 SER HB2 H 1 4.038 0.030 . 2 . . . A 88 SER HB2 . 11541 1 702 . 1 1 70 70 SER HB3 H 1 3.834 0.030 . 2 . . . A 88 SER HB3 . 11541 1 703 . 1 1 70 70 SER CA C 13 61.919 0.300 . 1 . . . A 88 SER CA . 11541 1 704 . 1 1 70 70 SER CB C 13 62.803 0.300 . 1 . . . A 88 SER CB . 11541 1 705 . 1 1 70 70 SER N N 15 115.069 0.300 . 1 . . . A 88 SER N . 11541 1 706 . 1 1 71 71 ALA H H 1 7.546 0.030 . 1 . . . A 89 ALA H . 11541 1 707 . 1 1 71 71 ALA HA H 1 4.084 0.030 . 1 . . . A 89 ALA HA . 11541 1 708 . 1 1 71 71 ALA HB1 H 1 1.566 0.030 . 1 . . . A 89 ALA HB1 . 11541 1 709 . 1 1 71 71 ALA HB2 H 1 1.566 0.030 . 1 . . . A 89 ALA HB2 . 11541 1 710 . 1 1 71 71 ALA HB3 H 1 1.566 0.030 . 1 . . . A 89 ALA HB3 . 11541 1 711 . 1 1 71 71 ALA CA C 13 55.443 0.300 . 1 . . . A 89 ALA CA . 11541 1 712 . 1 1 71 71 ALA CB C 13 18.405 0.300 . 1 . . . A 89 ALA CB . 11541 1 713 . 1 1 71 71 ALA N N 15 123.968 0.300 . 1 . . . A 89 ALA N . 11541 1 714 . 1 1 72 72 GLU H H 1 8.546 0.030 . 1 . . . A 90 GLU H . 11541 1 715 . 1 1 72 72 GLU HA H 1 4.041 0.030 . 1 . . . A 90 GLU HA . 11541 1 716 . 1 1 72 72 GLU HB2 H 1 2.212 0.030 . 2 . . . A 90 GLU HB2 . 11541 1 717 . 1 1 72 72 GLU HB3 H 1 2.067 0.030 . 2 . . . A 90 GLU HB3 . 11541 1 718 . 1 1 72 72 GLU HG2 H 1 2.547 0.030 . 2 . . . A 90 GLU HG2 . 11541 1 719 . 1 1 72 72 GLU HG3 H 1 2.220 0.030 . 2 . . . A 90 GLU HG3 . 11541 1 720 . 1 1 72 72 GLU CA C 13 59.559 0.300 . 1 . . . A 90 GLU CA . 11541 1 721 . 1 1 72 72 GLU CB C 13 29.139 0.300 . 1 . . . A 90 GLU CB . 11541 1 722 . 1 1 72 72 GLU CG C 13 36.679 0.300 . 1 . . . A 90 GLU CG . 11541 1 723 . 1 1 72 72 GLU N N 15 119.304 0.300 . 1 . . . A 90 GLU N . 11541 1 724 . 1 1 73 73 ARG H H 1 7.866 0.030 . 1 . . . A 91 ARG H . 11541 1 725 . 1 1 73 73 ARG HA H 1 3.948 0.030 . 1 . . . A 91 ARG HA . 11541 1 726 . 1 1 73 73 ARG HB2 H 1 2.340 0.030 . 2 . . . A 91 ARG HB2 . 11541 1 727 . 1 1 73 73 ARG HB3 H 1 2.020 0.030 . 2 . . . A 91 ARG HB3 . 11541 1 728 . 1 1 73 73 ARG HG2 H 1 1.680 0.030 . 2 . . . A 91 ARG HG2 . 11541 1 729 . 1 1 73 73 ARG HG3 H 1 2.070 0.030 . 2 . . . A 91 ARG HG3 . 11541 1 730 . 1 1 73 73 ARG HD2 H 1 3.394 0.030 . 2 . . . A 91 ARG HD2 . 11541 1 731 . 1 1 73 73 ARG HD3 H 1 3.572 0.030 . 2 . . . A 91 ARG HD3 . 11541 1 732 . 1 1 73 73 ARG HE H 1 7.659 0.030 . 1 . . . A 91 ARG HE . 11541 1 733 . 1 1 73 73 ARG CA C 13 60.137 0.300 . 1 . . . A 91 ARG CA . 11541 1 734 . 1 1 73 73 ARG CB C 13 31.103 0.300 . 1 . . . A 91 ARG CB . 11541 1 735 . 1 1 73 73 ARG CG C 13 29.269 0.300 . 1 . . . A 91 ARG CG . 11541 1 736 . 1 1 73 73 ARG CD C 13 43.968 0.300 . 1 . . . A 91 ARG CD . 11541 1 737 . 1 1 73 73 ARG N N 15 118.703 0.300 . 1 . . . A 91 ARG N . 11541 1 738 . 1 1 73 73 ARG NE N 15 89.800 0.300 . 1 . . . A 91 ARG NE . 11541 1 739 . 1 1 74 74 ALA H H 1 7.900 0.030 . 1 . . . A 92 ALA H . 11541 1 740 . 1 1 74 74 ALA HA H 1 1.887 0.030 . 1 . . . A 92 ALA HA . 11541 1 741 . 1 1 74 74 ALA HB1 H 1 1.388 0.030 . 1 . . . A 92 ALA HB1 . 11541 1 742 . 1 1 74 74 ALA HB2 H 1 1.388 0.030 . 1 . . . A 92 ALA HB2 . 11541 1 743 . 1 1 74 74 ALA HB3 H 1 1.388 0.030 . 1 . . . A 92 ALA HB3 . 11541 1 744 . 1 1 74 74 ALA CA C 13 53.010 0.300 . 1 . . . A 92 ALA CA . 11541 1 745 . 1 1 74 74 ALA CB C 13 19.918 0.300 . 1 . . . A 92 ALA CB . 11541 1 746 . 1 1 74 74 ALA N N 15 120.990 0.300 . 1 . . . A 92 ALA N . 11541 1 747 . 1 1 75 75 CYS H H 1 7.144 0.030 . 1 . . . A 93 CYS H . 11541 1 748 . 1 1 75 75 CYS HA H 1 4.231 0.030 . 1 . . . A 93 CYS HA . 11541 1 749 . 1 1 75 75 CYS HB2 H 1 3.029 0.030 . 2 . . . A 93 CYS HB2 . 11541 1 750 . 1 1 75 75 CYS HB3 H 1 2.787 0.030 . 2 . . . A 93 CYS HB3 . 11541 1 751 . 1 1 75 75 CYS CA C 13 59.542 0.300 . 1 . . . A 93 CYS CA . 11541 1 752 . 1 1 75 75 CYS CB C 13 28.588 0.300 . 1 . . . A 93 CYS CB . 11541 1 753 . 1 1 75 75 CYS N N 15 110.669 0.300 . 1 . . . A 93 CYS N . 11541 1 754 . 1 1 76 76 LYS H H 1 6.983 0.030 . 1 . . . A 94 LYS H . 11541 1 755 . 1 1 76 76 LYS HA H 1 3.855 0.030 . 1 . . . A 94 LYS HA . 11541 1 756 . 1 1 76 76 LYS HB2 H 1 1.872 0.030 . 2 . . . A 94 LYS HB2 . 11541 1 757 . 1 1 76 76 LYS HB3 H 1 1.796 0.030 . 2 . . . A 94 LYS HB3 . 11541 1 758 . 1 1 76 76 LYS HG2 H 1 1.524 0.030 . 1 . . . A 94 LYS HG2 . 11541 1 759 . 1 1 76 76 LYS HG3 H 1 1.524 0.030 . 1 . . . A 94 LYS HG3 . 11541 1 760 . 1 1 76 76 LYS HD2 H 1 1.735 0.030 . 2 . . . A 94 LYS HD2 . 11541 1 761 . 1 1 76 76 LYS HD3 H 1 1.700 0.030 . 2 . . . A 94 LYS HD3 . 11541 1 762 . 1 1 76 76 LYS HE2 H 1 2.982 0.030 . 2 . . . A 94 LYS HE2 . 11541 1 763 . 1 1 76 76 LYS CA C 13 59.337 0.300 . 1 . . . A 94 LYS CA . 11541 1 764 . 1 1 76 76 LYS CB C 13 32.164 0.300 . 1 . . . A 94 LYS CB . 11541 1 765 . 1 1 76 76 LYS CG C 13 24.461 0.300 . 1 . . . A 94 LYS CG . 11541 1 766 . 1 1 76 76 LYS CD C 13 28.804 0.300 . 1 . . . A 94 LYS CD . 11541 1 767 . 1 1 76 76 LYS CE C 13 41.948 0.300 . 1 . . . A 94 LYS CE . 11541 1 768 . 1 1 76 76 LYS N N 15 121.679 0.300 . 1 . . . A 94 LYS N . 11541 1 769 . 1 1 77 77 ASP H H 1 7.835 0.030 . 1 . . . A 95 ASP H . 11541 1 770 . 1 1 77 77 ASP HA H 1 5.107 0.030 . 1 . . . A 95 ASP HA . 11541 1 771 . 1 1 77 77 ASP HB2 H 1 2.797 0.030 . 2 . . . A 95 ASP HB2 . 11541 1 772 . 1 1 77 77 ASP HB3 H 1 2.457 0.030 . 2 . . . A 95 ASP HB3 . 11541 1 773 . 1 1 77 77 ASP CA C 13 49.301 0.300 . 1 . . . A 95 ASP CA . 11541 1 774 . 1 1 77 77 ASP CB C 13 40.653 0.300 . 1 . . . A 95 ASP CB . 11541 1 775 . 1 1 77 77 ASP N N 15 116.555 0.300 . 1 . . . A 95 ASP N . 11541 1 776 . 1 1 78 78 PRO HA H 1 4.639 0.030 . 1 . . . A 96 PRO HA . 11541 1 777 . 1 1 78 78 PRO HB2 H 1 2.478 0.030 . 2 . . . A 96 PRO HB2 . 11541 1 778 . 1 1 78 78 PRO HB3 H 1 2.126 0.030 . 2 . . . A 96 PRO HB3 . 11541 1 779 . 1 1 78 78 PRO HG2 H 1 2.063 0.030 . 1 . . . A 96 PRO HG2 . 11541 1 780 . 1 1 78 78 PRO HG3 H 1 2.063 0.030 . 1 . . . A 96 PRO HG3 . 11541 1 781 . 1 1 78 78 PRO HD2 H 1 4.102 0.030 . 2 . . . A 96 PRO HD2 . 11541 1 782 . 1 1 78 78 PRO HD3 H 1 3.969 0.030 . 2 . . . A 96 PRO HD3 . 11541 1 783 . 1 1 78 78 PRO CA C 13 63.197 0.300 . 1 . . . A 96 PRO CA . 11541 1 784 . 1 1 78 78 PRO CB C 13 32.954 0.300 . 1 . . . A 96 PRO CB . 11541 1 785 . 1 1 78 78 PRO CG C 13 26.218 0.300 . 1 . . . A 96 PRO CG . 11541 1 786 . 1 1 78 78 PRO CD C 13 50.792 0.300 . 1 . . . A 96 PRO CD . 11541 1 787 . 1 1 79 79 ASN H H 1 8.136 0.030 . 1 . . . A 97 ASN H . 11541 1 788 . 1 1 79 79 ASN HA H 1 5.872 0.030 . 1 . . . A 97 ASN HA . 11541 1 789 . 1 1 79 79 ASN HB2 H 1 2.749 0.030 . 2 . . . A 97 ASN HB2 . 11541 1 790 . 1 1 79 79 ASN HB3 H 1 2.407 0.030 . 2 . . . A 97 ASN HB3 . 11541 1 791 . 1 1 79 79 ASN HD21 H 1 8.053 0.030 . 2 . . . A 97 ASN HD21 . 11541 1 792 . 1 1 79 79 ASN HD22 H 1 7.112 0.030 . 2 . . . A 97 ASN HD22 . 11541 1 793 . 1 1 79 79 ASN CA C 13 51.092 0.300 . 1 . . . A 97 ASN CA . 11541 1 794 . 1 1 79 79 ASN CB C 13 41.700 0.300 . 1 . . . A 97 ASN CB . 11541 1 795 . 1 1 79 79 ASN N N 15 116.416 0.300 . 1 . . . A 97 ASN N . 11541 1 796 . 1 1 79 79 ASN ND2 N 15 113.429 0.300 . 1 . . . A 97 ASN ND2 . 11541 1 797 . 1 1 80 80 PRO HA H 1 4.407 0.030 . 1 . . . A 98 PRO HA . 11541 1 798 . 1 1 80 80 PRO HB2 H 1 1.524 0.030 . 2 . . . A 98 PRO HB2 . 11541 1 799 . 1 1 80 80 PRO HB3 H 1 2.105 0.030 . 2 . . . A 98 PRO HB3 . 11541 1 800 . 1 1 80 80 PRO HG2 H 1 1.932 0.030 . 2 . . . A 98 PRO HG2 . 11541 1 801 . 1 1 80 80 PRO HG3 H 1 1.551 0.030 . 2 . . . A 98 PRO HG3 . 11541 1 802 . 1 1 80 80 PRO HD2 H 1 3.552 0.030 . 2 . . . A 98 PRO HD2 . 11541 1 803 . 1 1 80 80 PRO HD3 H 1 3.089 0.030 . 2 . . . A 98 PRO HD3 . 11541 1 804 . 1 1 80 80 PRO CA C 13 62.712 0.300 . 1 . . . A 98 PRO CA . 11541 1 805 . 1 1 80 80 PRO CB C 13 32.188 0.300 . 1 . . . A 98 PRO CB . 11541 1 806 . 1 1 80 80 PRO CG C 13 26.397 0.300 . 1 . . . A 98 PRO CG . 11541 1 807 . 1 1 80 80 PRO CD C 13 49.012 0.300 . 1 . . . A 98 PRO CD . 11541 1 808 . 1 1 81 81 ILE H H 1 8.086 0.030 . 1 . . . A 99 ILE H . 11541 1 809 . 1 1 81 81 ILE HA H 1 4.184 0.030 . 1 . . . A 99 ILE HA . 11541 1 810 . 1 1 81 81 ILE HB H 1 1.777 0.030 . 1 . . . A 99 ILE HB . 11541 1 811 . 1 1 81 81 ILE HG12 H 1 1.109 0.030 . 2 . . . A 99 ILE HG12 . 11541 1 812 . 1 1 81 81 ILE HG13 H 1 1.426 0.030 . 2 . . . A 99 ILE HG13 . 11541 1 813 . 1 1 81 81 ILE HG21 H 1 0.511 0.030 . 1 . . . A 99 ILE HG21 . 11541 1 814 . 1 1 81 81 ILE HG22 H 1 0.511 0.030 . 1 . . . A 99 ILE HG22 . 11541 1 815 . 1 1 81 81 ILE HG23 H 1 0.511 0.030 . 1 . . . A 99 ILE HG23 . 11541 1 816 . 1 1 81 81 ILE HD11 H 1 0.682 0.030 . 1 . . . A 99 ILE HD11 . 11541 1 817 . 1 1 81 81 ILE HD12 H 1 0.682 0.030 . 1 . . . A 99 ILE HD12 . 11541 1 818 . 1 1 81 81 ILE HD13 H 1 0.682 0.030 . 1 . . . A 99 ILE HD13 . 11541 1 819 . 1 1 81 81 ILE CA C 13 59.549 0.300 . 1 . . . A 99 ILE CA . 11541 1 820 . 1 1 81 81 ILE CB C 13 35.646 0.300 . 1 . . . A 99 ILE CB . 11541 1 821 . 1 1 81 81 ILE CG1 C 13 27.260 0.300 . 1 . . . A 99 ILE CG1 . 11541 1 822 . 1 1 81 81 ILE CG2 C 13 17.063 0.300 . 1 . . . A 99 ILE CG2 . 11541 1 823 . 1 1 81 81 ILE CD1 C 13 10.875 0.300 . 1 . . . A 99 ILE CD1 . 11541 1 824 . 1 1 81 81 ILE N N 15 118.700 0.300 . 1 . . . A 99 ILE N . 11541 1 825 . 1 1 82 82 ILE H H 1 8.315 0.030 . 1 . . . A 100 ILE H . 11541 1 826 . 1 1 82 82 ILE HA H 1 3.737 0.030 . 1 . . . A 100 ILE HA . 11541 1 827 . 1 1 82 82 ILE HB H 1 1.252 0.030 . 1 . . . A 100 ILE HB . 11541 1 828 . 1 1 82 82 ILE HG12 H 1 0.735 0.030 . 2 . . . A 100 ILE HG12 . 11541 1 829 . 1 1 82 82 ILE HG13 H 1 -0.561 0.030 . 2 . . . A 100 ILE HG13 . 11541 1 830 . 1 1 82 82 ILE HG21 H 1 0.406 0.030 . 1 . . . A 100 ILE HG21 . 11541 1 831 . 1 1 82 82 ILE HG22 H 1 0.406 0.030 . 1 . . . A 100 ILE HG22 . 11541 1 832 . 1 1 82 82 ILE HG23 H 1 0.406 0.030 . 1 . . . A 100 ILE HG23 . 11541 1 833 . 1 1 82 82 ILE HD11 H 1 0.194 0.030 . 1 . . . A 100 ILE HD11 . 11541 1 834 . 1 1 82 82 ILE HD12 H 1 0.194 0.030 . 1 . . . A 100 ILE HD12 . 11541 1 835 . 1 1 82 82 ILE HD13 H 1 0.194 0.030 . 1 . . . A 100 ILE HD13 . 11541 1 836 . 1 1 82 82 ILE CA C 13 60.666 0.300 . 1 . . . A 100 ILE CA . 11541 1 837 . 1 1 82 82 ILE CB C 13 39.493 0.300 . 1 . . . A 100 ILE CB . 11541 1 838 . 1 1 82 82 ILE CG1 C 13 25.433 0.300 . 1 . . . A 100 ILE CG1 . 11541 1 839 . 1 1 82 82 ILE CG2 C 13 15.536 0.300 . 1 . . . A 100 ILE CG2 . 11541 1 840 . 1 1 82 82 ILE CD1 C 13 13.639 0.300 . 1 . . . A 100 ILE CD1 . 11541 1 841 . 1 1 82 82 ILE N N 15 128.182 0.300 . 1 . . . A 100 ILE N . 11541 1 842 . 1 1 83 83 ASP H H 1 8.970 0.030 . 1 . . . A 101 ASP H . 11541 1 843 . 1 1 83 83 ASP HA H 1 4.201 0.030 . 1 . . . A 101 ASP HA . 11541 1 844 . 1 1 83 83 ASP HB2 H 1 2.180 0.030 . 2 . . . A 101 ASP HB2 . 11541 1 845 . 1 1 83 83 ASP HB3 H 1 2.980 0.030 . 2 . . . A 101 ASP HB3 . 11541 1 846 . 1 1 83 83 ASP CA C 13 54.587 0.300 . 1 . . . A 101 ASP CA . 11541 1 847 . 1 1 83 83 ASP CB C 13 39.933 0.300 . 1 . . . A 101 ASP CB . 11541 1 848 . 1 1 83 83 ASP N N 15 125.891 0.300 . 1 . . . A 101 ASP N . 11541 1 849 . 1 1 84 84 GLY H H 1 8.018 0.030 . 1 . . . A 102 GLY H . 11541 1 850 . 1 1 84 84 GLY HA2 H 1 4.120 0.030 . 2 . . . A 102 GLY HA2 . 11541 1 851 . 1 1 84 84 GLY HA3 H 1 3.416 0.030 . 2 . . . A 102 GLY HA3 . 11541 1 852 . 1 1 84 84 GLY CA C 13 45.323 0.300 . 1 . . . A 102 GLY CA . 11541 1 853 . 1 1 84 84 GLY N N 15 99.755 0.300 . 1 . . . A 102 GLY N . 11541 1 854 . 1 1 85 85 ARG H H 1 7.759 0.030 . 1 . . . A 103 ARG H . 11541 1 855 . 1 1 85 85 ARG HA H 1 4.547 0.030 . 1 . . . A 103 ARG HA . 11541 1 856 . 1 1 85 85 ARG HB2 H 1 1.463 0.030 . 2 . . . A 103 ARG HB2 . 11541 1 857 . 1 1 85 85 ARG HB3 H 1 1.577 0.030 . 2 . . . A 103 ARG HB3 . 11541 1 858 . 1 1 85 85 ARG HG2 H 1 1.710 0.030 . 2 . . . A 103 ARG HG2 . 11541 1 859 . 1 1 85 85 ARG HG3 H 1 1.346 0.030 . 2 . . . A 103 ARG HG3 . 11541 1 860 . 1 1 85 85 ARG HE H 1 6.694 0.030 . 1 . . . A 103 ARG HE . 11541 1 861 . 1 1 85 85 ARG CA C 13 54.320 0.300 . 1 . . . A 103 ARG CA . 11541 1 862 . 1 1 85 85 ARG CB C 13 34.543 0.300 . 1 . . . A 103 ARG CB . 11541 1 863 . 1 1 85 85 ARG CG C 13 28.523 0.300 . 1 . . . A 103 ARG CG . 11541 1 864 . 1 1 85 85 ARG N N 15 123.550 0.300 . 1 . . . A 103 ARG N . 11541 1 865 . 1 1 85 85 ARG NE N 15 124.453 0.300 . 1 . . . A 103 ARG NE . 11541 1 866 . 1 1 86 86 LYS H H 1 8.402 0.030 . 1 . . . A 104 LYS H . 11541 1 867 . 1 1 86 86 LYS HA H 1 4.032 0.030 . 1 . . . A 104 LYS HA . 11541 1 868 . 1 1 86 86 LYS HB2 H 1 1.680 0.030 . 2 . . . A 104 LYS HB2 . 11541 1 869 . 1 1 86 86 LYS HB3 H 1 1.485 0.030 . 2 . . . A 104 LYS HB3 . 11541 1 870 . 1 1 86 86 LYS HG2 H 1 1.291 0.030 . 1 . . . A 104 LYS HG2 . 11541 1 871 . 1 1 86 86 LYS HG3 H 1 1.291 0.030 . 1 . . . A 104 LYS HG3 . 11541 1 872 . 1 1 86 86 LYS HD2 H 1 1.622 0.030 . 1 . . . A 104 LYS HD2 . 11541 1 873 . 1 1 86 86 LYS HD3 H 1 1.622 0.030 . 1 . . . A 104 LYS HD3 . 11541 1 874 . 1 1 86 86 LYS HE2 H 1 2.911 0.030 . 1 . . . A 104 LYS HE2 . 11541 1 875 . 1 1 86 86 LYS HE3 H 1 2.911 0.030 . 1 . . . A 104 LYS HE3 . 11541 1 876 . 1 1 86 86 LYS CA C 13 58.326 0.300 . 1 . . . A 104 LYS CA . 11541 1 877 . 1 1 86 86 LYS CB C 13 31.502 0.300 . 1 . . . A 104 LYS CB . 11541 1 878 . 1 1 86 86 LYS CG C 13 24.338 0.300 . 1 . . . A 104 LYS CG . 11541 1 879 . 1 1 86 86 LYS CD C 13 29.307 0.300 . 1 . . . A 104 LYS CD . 11541 1 880 . 1 1 86 86 LYS CE C 13 41.618 0.300 . 1 . . . A 104 LYS CE . 11541 1 881 . 1 1 86 86 LYS N N 15 126.329 0.300 . 1 . . . A 104 LYS N . 11541 1 882 . 1 1 87 87 ALA H H 1 8.837 0.030 . 1 . . . A 105 ALA H . 11541 1 883 . 1 1 87 87 ALA HA H 1 4.641 0.030 . 1 . . . A 105 ALA HA . 11541 1 884 . 1 1 87 87 ALA HB1 H 1 1.261 0.030 . 1 . . . A 105 ALA HB1 . 11541 1 885 . 1 1 87 87 ALA HB2 H 1 1.261 0.030 . 1 . . . A 105 ALA HB2 . 11541 1 886 . 1 1 87 87 ALA HB3 H 1 1.261 0.030 . 1 . . . A 105 ALA HB3 . 11541 1 887 . 1 1 87 87 ALA CA C 13 50.915 0.300 . 1 . . . A 105 ALA CA . 11541 1 888 . 1 1 87 87 ALA CB C 13 20.793 0.300 . 1 . . . A 105 ALA CB . 11541 1 889 . 1 1 87 87 ALA N N 15 134.994 0.300 . 1 . . . A 105 ALA N . 11541 1 890 . 1 1 88 88 ASN H H 1 8.130 0.030 . 1 . . . A 106 ASN H . 11541 1 891 . 1 1 88 88 ASN HA H 1 5.487 0.030 . 1 . . . A 106 ASN HA . 11541 1 892 . 1 1 88 88 ASN HB2 H 1 2.672 0.030 . 2 . . . A 106 ASN HB2 . 11541 1 893 . 1 1 88 88 ASN HB3 H 1 2.580 0.030 . 2 . . . A 106 ASN HB3 . 11541 1 894 . 1 1 88 88 ASN HD21 H 1 7.072 0.030 . 2 . . . A 106 ASN HD21 . 11541 1 895 . 1 1 88 88 ASN HD22 H 1 7.697 0.030 . 2 . . . A 106 ASN HD22 . 11541 1 896 . 1 1 88 88 ASN CA C 13 52.667 0.300 . 1 . . . A 106 ASN CA . 11541 1 897 . 1 1 88 88 ASN CB C 13 40.823 0.300 . 1 . . . A 106 ASN CB . 11541 1 898 . 1 1 88 88 ASN N N 15 114.654 0.300 . 1 . . . A 106 ASN N . 11541 1 899 . 1 1 88 88 ASN ND2 N 15 113.937 0.300 . 1 . . . A 106 ASN ND2 . 11541 1 900 . 1 1 89 89 VAL H H 1 8.810 0.030 . 1 . . . A 107 VAL H . 11541 1 901 . 1 1 89 89 VAL HA H 1 5.205 0.030 . 1 . . . A 107 VAL HA . 11541 1 902 . 1 1 89 89 VAL HB H 1 1.974 0.030 . 1 . . . A 107 VAL HB . 11541 1 903 . 1 1 89 89 VAL HG11 H 1 1.008 0.030 . 1 . . . A 107 VAL HG11 . 11541 1 904 . 1 1 89 89 VAL HG12 H 1 1.008 0.030 . 1 . . . A 107 VAL HG12 . 11541 1 905 . 1 1 89 89 VAL HG13 H 1 1.008 0.030 . 1 . . . A 107 VAL HG13 . 11541 1 906 . 1 1 89 89 VAL HG21 H 1 0.979 0.030 . 1 . . . A 107 VAL HG21 . 11541 1 907 . 1 1 89 89 VAL HG22 H 1 0.979 0.030 . 1 . . . A 107 VAL HG22 . 11541 1 908 . 1 1 89 89 VAL HG23 H 1 0.979 0.030 . 1 . . . A 107 VAL HG23 . 11541 1 909 . 1 1 89 89 VAL CA C 13 60.199 0.300 . 1 . . . A 107 VAL CA . 11541 1 910 . 1 1 89 89 VAL CB C 13 35.444 0.300 . 1 . . . A 107 VAL CB . 11541 1 911 . 1 1 89 89 VAL CG1 C 13 22.665 0.300 . 2 . . . A 107 VAL CG1 . 11541 1 912 . 1 1 89 89 VAL CG2 C 13 22.513 0.300 . 2 . . . A 107 VAL CG2 . 11541 1 913 . 1 1 89 89 VAL N N 15 120.980 0.300 . 1 . . . A 107 VAL N . 11541 1 914 . 1 1 90 90 ASN H H 1 8.609 0.030 . 1 . . . A 108 ASN H . 11541 1 915 . 1 1 90 90 ASN HA H 1 4.904 0.030 . 1 . . . A 108 ASN HA . 11541 1 916 . 1 1 90 90 ASN HB2 H 1 2.785 0.030 . 2 . . . A 108 ASN HB2 . 11541 1 917 . 1 1 90 90 ASN HB3 H 1 2.970 0.030 . 2 . . . A 108 ASN HB3 . 11541 1 918 . 1 1 90 90 ASN HD21 H 1 7.164 0.030 . 2 . . . A 108 ASN HD21 . 11541 1 919 . 1 1 90 90 ASN HD22 H 1 6.744 0.030 . 2 . . . A 108 ASN HD22 . 11541 1 920 . 1 1 90 90 ASN CA C 13 52.754 0.300 . 1 . . . A 108 ASN CA . 11541 1 921 . 1 1 90 90 ASN CB C 13 42.243 0.300 . 1 . . . A 108 ASN CB . 11541 1 922 . 1 1 90 90 ASN N N 15 118.342 0.300 . 1 . . . A 108 ASN N . 11541 1 923 . 1 1 90 90 ASN ND2 N 15 112.352 0.300 . 1 . . . A 108 ASN ND2 . 11541 1 924 . 1 1 91 91 LEU H H 1 9.396 0.030 . 1 . . . A 109 LEU H . 11541 1 925 . 1 1 91 91 LEU HA H 1 4.463 0.030 . 1 . . . A 109 LEU HA . 11541 1 926 . 1 1 91 91 LEU HB2 H 1 1.878 0.030 . 2 . . . A 109 LEU HB2 . 11541 1 927 . 1 1 91 91 LEU HB3 H 1 1.787 0.030 . 2 . . . A 109 LEU HB3 . 11541 1 928 . 1 1 91 91 LEU HG H 1 2.055 0.030 . 1 . . . A 109 LEU HG . 11541 1 929 . 1 1 91 91 LEU HD11 H 1 0.860 0.030 . 1 . . . A 109 LEU HD11 . 11541 1 930 . 1 1 91 91 LEU HD12 H 1 0.860 0.030 . 1 . . . A 109 LEU HD12 . 11541 1 931 . 1 1 91 91 LEU HD13 H 1 0.860 0.030 . 1 . . . A 109 LEU HD13 . 11541 1 932 . 1 1 91 91 LEU HD21 H 1 1.363 0.030 . 1 . . . A 109 LEU HD21 . 11541 1 933 . 1 1 91 91 LEU HD22 H 1 1.363 0.030 . 1 . . . A 109 LEU HD22 . 11541 1 934 . 1 1 91 91 LEU HD23 H 1 1.363 0.030 . 1 . . . A 109 LEU HD23 . 11541 1 935 . 1 1 91 91 LEU CA C 13 56.817 0.300 . 1 . . . A 109 LEU CA . 11541 1 936 . 1 1 91 91 LEU CB C 13 41.584 0.300 . 1 . . . A 109 LEU CB . 11541 1 937 . 1 1 91 91 LEU CG C 13 27.057 0.300 . 1 . . . A 109 LEU CG . 11541 1 938 . 1 1 91 91 LEU CD1 C 13 22.700 0.300 . 2 . . . A 109 LEU CD1 . 11541 1 939 . 1 1 91 91 LEU CD2 C 13 26.513 0.300 . 2 . . . A 109 LEU CD2 . 11541 1 940 . 1 1 91 91 LEU N N 15 123.484 0.300 . 1 . . . A 109 LEU N . 11541 1 941 . 1 1 92 92 ALA H H 1 9.643 0.030 . 1 . . . A 110 ALA H . 11541 1 942 . 1 1 92 92 ALA HA H 1 4.107 0.030 . 1 . . . A 110 ALA HA . 11541 1 943 . 1 1 92 92 ALA HB1 H 1 1.636 0.030 . 1 . . . A 110 ALA HB1 . 11541 1 944 . 1 1 92 92 ALA HB2 H 1 1.636 0.030 . 1 . . . A 110 ALA HB2 . 11541 1 945 . 1 1 92 92 ALA HB3 H 1 1.636 0.030 . 1 . . . A 110 ALA HB3 . 11541 1 946 . 1 1 92 92 ALA CA C 13 55.512 0.300 . 1 . . . A 110 ALA CA . 11541 1 947 . 1 1 92 92 ALA CB C 13 17.886 0.300 . 1 . . . A 110 ALA CB . 11541 1 948 . 1 1 92 92 ALA N N 15 127.609 0.300 . 1 . . . A 110 ALA N . 11541 1 949 . 1 1 93 93 TYR H H 1 9.049 0.030 . 1 . . . A 111 TYR H . 11541 1 950 . 1 1 93 93 TYR HA H 1 4.388 0.030 . 1 . . . A 111 TYR HA . 11541 1 951 . 1 1 93 93 TYR HB2 H 1 3.184 0.030 . 2 . . . A 111 TYR HB2 . 11541 1 952 . 1 1 93 93 TYR HB3 H 1 2.933 0.030 . 2 . . . A 111 TYR HB3 . 11541 1 953 . 1 1 93 93 TYR HD1 H 1 7.076 0.030 . 1 . . . A 111 TYR HD1 . 11541 1 954 . 1 1 93 93 TYR HD2 H 1 7.076 0.030 . 1 . . . A 111 TYR HD2 . 11541 1 955 . 1 1 93 93 TYR HE1 H 1 6.695 0.030 . 1 . . . A 111 TYR HE1 . 11541 1 956 . 1 1 93 93 TYR HE2 H 1 6.695 0.030 . 1 . . . A 111 TYR HE2 . 11541 1 957 . 1 1 93 93 TYR CA C 13 59.797 0.300 . 1 . . . A 111 TYR CA . 11541 1 958 . 1 1 93 93 TYR CB C 13 36.693 0.300 . 1 . . . A 111 TYR CB . 11541 1 959 . 1 1 93 93 TYR CD1 C 13 133.296 0.300 . 1 . . . A 111 TYR CD1 . 11541 1 960 . 1 1 93 93 TYR CD2 C 13 133.296 0.300 . 1 . . . A 111 TYR CD2 . 11541 1 961 . 1 1 93 93 TYR CE1 C 13 118.325 0.300 . 1 . . . A 111 TYR CE1 . 11541 1 962 . 1 1 93 93 TYR CE2 C 13 118.325 0.300 . 1 . . . A 111 TYR CE2 . 11541 1 963 . 1 1 93 93 TYR N N 15 114.896 0.300 . 1 . . . A 111 TYR N . 11541 1 964 . 1 1 94 94 LEU H H 1 6.594 0.030 . 1 . . . A 112 LEU H . 11541 1 965 . 1 1 94 94 LEU HA H 1 3.544 0.030 . 1 . . . A 112 LEU HA . 11541 1 966 . 1 1 94 94 LEU HB2 H 1 1.463 0.030 . 2 . . . A 112 LEU HB2 . 11541 1 967 . 1 1 94 94 LEU HB3 H 1 1.313 0.030 . 2 . . . A 112 LEU HB3 . 11541 1 968 . 1 1 94 94 LEU HG H 1 0.629 0.030 . 1 . . . A 112 LEU HG . 11541 1 969 . 1 1 94 94 LEU HD11 H 1 0.603 0.030 . 1 . . . A 112 LEU HD11 . 11541 1 970 . 1 1 94 94 LEU HD12 H 1 0.603 0.030 . 1 . . . A 112 LEU HD12 . 11541 1 971 . 1 1 94 94 LEU HD13 H 1 0.603 0.030 . 1 . . . A 112 LEU HD13 . 11541 1 972 . 1 1 94 94 LEU HD21 H 1 0.943 0.030 . 1 . . . A 112 LEU HD21 . 11541 1 973 . 1 1 94 94 LEU HD22 H 1 0.943 0.030 . 1 . . . A 112 LEU HD22 . 11541 1 974 . 1 1 94 94 LEU HD23 H 1 0.943 0.030 . 1 . . . A 112 LEU HD23 . 11541 1 975 . 1 1 94 94 LEU CA C 13 56.391 0.300 . 1 . . . A 112 LEU CA . 11541 1 976 . 1 1 94 94 LEU CB C 13 41.987 0.300 . 1 . . . A 112 LEU CB . 11541 1 977 . 1 1 94 94 LEU CG C 13 26.581 0.300 . 1 . . . A 112 LEU CG . 11541 1 978 . 1 1 94 94 LEU CD1 C 13 22.685 0.300 . 2 . . . A 112 LEU CD1 . 11541 1 979 . 1 1 94 94 LEU CD2 C 13 26.037 0.300 . 2 . . . A 112 LEU CD2 . 11541 1 980 . 1 1 94 94 LEU N N 15 120.357 0.300 . 1 . . . A 112 LEU N . 11541 1 981 . 1 1 95 95 GLY H H 1 6.898 0.030 . 1 . . . A 113 GLY H . 11541 1 982 . 1 1 95 95 GLY HA2 H 1 3.262 0.030 . 2 . . . A 113 GLY HA2 . 11541 1 983 . 1 1 95 95 GLY HA3 H 1 4.312 0.030 . 2 . . . A 113 GLY HA3 . 11541 1 984 . 1 1 95 95 GLY CA C 13 44.173 0.300 . 1 . . . A 113 GLY CA . 11541 1 985 . 1 1 95 95 GLY N N 15 103.107 0.300 . 1 . . . A 113 GLY N . 11541 1 986 . 1 1 96 96 ALA H H 1 6.753 0.030 . 1 . . . A 114 ALA H . 11541 1 987 . 1 1 96 96 ALA HA H 1 3.816 0.030 . 1 . . . A 114 ALA HA . 11541 1 988 . 1 1 96 96 ALA HB1 H 1 1.288 0.030 . 1 . . . A 114 ALA HB1 . 11541 1 989 . 1 1 96 96 ALA HB2 H 1 1.288 0.030 . 1 . . . A 114 ALA HB2 . 11541 1 990 . 1 1 96 96 ALA HB3 H 1 1.288 0.030 . 1 . . . A 114 ALA HB3 . 11541 1 991 . 1 1 96 96 ALA CA C 13 52.101 0.300 . 1 . . . A 114 ALA CA . 11541 1 992 . 1 1 96 96 ALA CB C 13 19.189 0.300 . 1 . . . A 114 ALA CB . 11541 1 993 . 1 1 96 96 ALA N N 15 122.843 0.300 . 1 . . . A 114 ALA N . 11541 1 994 . 1 1 97 97 LYS H H 1 8.123 0.030 . 1 . . . A 115 LYS H . 11541 1 995 . 1 1 97 97 LYS HA H 1 4.439 0.030 . 1 . . . A 115 LYS HA . 11541 1 996 . 1 1 97 97 LYS HB2 H 1 1.678 0.030 . 2 . . . A 115 LYS HB2 . 11541 1 997 . 1 1 97 97 LYS HB3 H 1 1.780 0.030 . 2 . . . A 115 LYS HB3 . 11541 1 998 . 1 1 97 97 LYS HG2 H 1 1.395 0.030 . 2 . . . A 115 LYS HG2 . 11541 1 999 . 1 1 97 97 LYS HG3 H 1 1.500 0.030 . 2 . . . A 115 LYS HG3 . 11541 1 1000 . 1 1 97 97 LYS HD2 H 1 1.683 0.030 . 1 . . . A 115 LYS HD2 . 11541 1 1001 . 1 1 97 97 LYS HD3 H 1 1.683 0.030 . 1 . . . A 115 LYS HD3 . 11541 1 1002 . 1 1 97 97 LYS HE2 H 1 2.978 0.030 . 2 . . . A 115 LYS HE2 . 11541 1 1003 . 1 1 97 97 LYS CA C 13 53.944 0.300 . 1 . . . A 115 LYS CA . 11541 1 1004 . 1 1 97 97 LYS CB C 13 32.038 0.300 . 1 . . . A 115 LYS CB . 11541 1 1005 . 1 1 97 97 LYS CG C 13 24.425 0.300 . 1 . . . A 115 LYS CG . 11541 1 1006 . 1 1 97 97 LYS CD C 13 29.122 0.300 . 1 . . . A 115 LYS CD . 11541 1 1007 . 1 1 97 97 LYS CE C 13 41.987 0.300 . 1 . . . A 115 LYS CE . 11541 1 1008 . 1 1 97 97 LYS N N 15 123.067 0.300 . 1 . . . A 115 LYS N . 11541 1 1009 . 1 1 98 98 PRO HA H 1 4.381 0.030 . 1 . . . A 116 PRO HA . 11541 1 1010 . 1 1 98 98 PRO HB2 H 1 2.257 0.030 . 2 . . . A 116 PRO HB2 . 11541 1 1011 . 1 1 98 98 PRO HB3 H 1 1.840 0.030 . 2 . . . A 116 PRO HB3 . 11541 1 1012 . 1 1 98 98 PRO HG2 H 1 1.976 0.030 . 1 . . . A 116 PRO HG2 . 11541 1 1013 . 1 1 98 98 PRO HG3 H 1 1.976 0.030 . 1 . . . A 116 PRO HG3 . 11541 1 1014 . 1 1 98 98 PRO HD2 H 1 3.782 0.030 . 2 . . . A 116 PRO HD2 . 11541 1 1015 . 1 1 98 98 PRO HD3 H 1 3.579 0.030 . 2 . . . A 116 PRO HD3 . 11541 1 1016 . 1 1 98 98 PRO CA C 13 62.792 0.300 . 1 . . . A 116 PRO CA . 11541 1 1017 . 1 1 98 98 PRO CB C 13 31.968 0.300 . 1 . . . A 116 PRO CB . 11541 1 1018 . 1 1 98 98 PRO CG C 13 27.296 0.300 . 1 . . . A 116 PRO CG . 11541 1 1019 . 1 1 98 98 PRO CD C 13 50.464 0.300 . 1 . . . A 116 PRO CD . 11541 1 1020 . 1 1 99 99 ARG H H 1 8.576 0.030 . 1 . . . A 117 ARG H . 11541 1 1021 . 1 1 99 99 ARG HA H 1 4.426 0.030 . 1 . . . A 117 ARG HA . 11541 1 1022 . 1 1 99 99 ARG HB2 H 1 1.724 0.030 . 2 . . . A 117 ARG HB2 . 11541 1 1023 . 1 1 99 99 ARG HB3 H 1 1.830 0.030 . 2 . . . A 117 ARG HB3 . 11541 1 1024 . 1 1 99 99 ARG HG2 H 1 1.606 0.030 . 1 . . . A 117 ARG HG2 . 11541 1 1025 . 1 1 99 99 ARG HG3 H 1 1.606 0.030 . 1 . . . A 117 ARG HG3 . 11541 1 1026 . 1 1 99 99 ARG HD2 H 1 3.156 0.030 . 1 . . . A 117 ARG HD2 . 11541 1 1027 . 1 1 99 99 ARG HD3 H 1 3.156 0.030 . 1 . . . A 117 ARG HD3 . 11541 1 1028 . 1 1 99 99 ARG CA C 13 55.667 0.300 . 1 . . . A 117 ARG CA . 11541 1 1029 . 1 1 99 99 ARG CB C 13 30.633 0.300 . 1 . . . A 117 ARG CB . 11541 1 1030 . 1 1 99 99 ARG CG C 13 26.906 0.300 . 1 . . . A 117 ARG CG . 11541 1 1031 . 1 1 99 99 ARG CD C 13 43.138 0.300 . 1 . . . A 117 ARG CD . 11541 1 1032 . 1 1 99 99 ARG N N 15 122.174 0.300 . 1 . . . A 117 ARG N . 11541 1 1033 . 1 1 100 100 THR H H 1 8.530 0.030 . 1 . . . A 118 THR H . 11541 1 1034 . 1 1 100 100 THR HA H 1 4.327 0.030 . 1 . . . A 118 THR HA . 11541 1 1035 . 1 1 100 100 THR HB H 1 4.182 0.030 . 1 . . . A 118 THR HB . 11541 1 1036 . 1 1 100 100 THR HG21 H 1 1.165 0.030 . 1 . . . A 118 THR HG21 . 11541 1 1037 . 1 1 100 100 THR HG22 H 1 1.165 0.030 . 1 . . . A 118 THR HG22 . 11541 1 1038 . 1 1 100 100 THR HG23 H 1 1.165 0.030 . 1 . . . A 118 THR HG23 . 11541 1 1039 . 1 1 100 100 THR CA C 13 61.740 0.300 . 1 . . . A 118 THR CA . 11541 1 1040 . 1 1 100 100 THR CB C 13 69.709 0.300 . 1 . . . A 118 THR CB . 11541 1 1041 . 1 1 100 100 THR CG2 C 13 21.574 0.300 . 1 . . . A 118 THR CG2 . 11541 1 1042 . 1 1 100 100 THR N N 15 116.037 0.300 . 1 . . . A 118 THR N . 11541 1 stop_ save_