data_11458 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11458 _Entry.Title ; Solution structure of the N-terminal RNA recognition motif of NonO ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-29 _Entry.Accession_date 2011-11-30 _Entry.Last_release_date 2012-12-18 _Entry.Original_release_date 2012-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _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 Takashi Nagata . . . 11458 2 Yutaka Muto . . . 11458 3 Makoto Inoue . . . 11458 4 Takanori Kigawa . . . 11458 5 Takaho Terada . . . 11458 6 Makiko Shirouzu . . . 11458 7 Shigeyuki Yokoyama . . . 11458 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' . 11458 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 11458 RBD . 11458 RNP . 11458 RRM . 11458 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11458 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 11458 '15N chemical shifts' 75 11458 '1H chemical shifts' 625 11458 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 . . 2012-12-18 2011-11-29 original author . 11458 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2cpj . 11458 PDB 2RS8 'BMRB Entry Tracking System' 11458 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11458 _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 the N-terminal RNA recognition motif of NonO' _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 Takashi Nagata . . . 11458 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11458 _Assembly.ID 1 _Assembly.Name 'N-terminal RNA recognition motif of NonO' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal RNA recognition motif of NonO' 1 $entity A . yes native no no . . . 11458 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11458 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSSGSSGGEKTFTQRSRLFV GNLPPDITEEEMRKLFEKYG KAGEVFIHKDKGFGFIRLET RTLAEIAKVELDNMPLRGKQ LRVRFACHSASLTSGPSSG ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10909.508 _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 PDB 2CPJ . "Solution Structure Of The N-Terminal Rna Recognition Motif Of Nono" . . . . . 100.00 99 100.00 100.00 6.44e-64 . . . . 11458 1 2 no PDB 2RS8 . "Solution Structure Of The N-Terminal Rna Recognition Motif Of Nono" . . . . . 100.00 99 100.00 100.00 6.44e-64 . . . . 11458 1 3 no PDB 3SDE . "Crystal Structure Of A Paraspeckle-Protein Heterodimer, Pspc1NONO" . . . . . 86.87 261 100.00 100.00 3.08e-53 . . . . 11458 1 4 no DBJ BAB23598 . "unnamed protein product [Mus musculus]" . . . . . 86.87 257 100.00 100.00 9.78e-54 . . . . 11458 1 5 no DBJ BAB28857 . "unnamed protein product [Mus musculus]" . . . . . 85.86 203 97.65 98.82 1.03e-52 . . . . 11458 1 6 no DBJ BAC25890 . "unnamed protein product [Mus musculus]" . . . . . 86.87 473 100.00 100.00 8.41e-52 . . . . 11458 1 7 no DBJ BAE01678 . "unnamed protein product [Macaca fascicularis]" . . . . . 86.87 471 98.84 100.00 2.37e-51 . . . . 11458 1 8 no DBJ BAE26278 . "unnamed protein product [Mus musculus]" . . . . . 86.87 475 100.00 100.00 7.93e-52 . . . . 11458 1 9 no EMBL CAA72157 . "p54nrb [Homo sapiens]" . . . . . 86.87 471 100.00 100.00 1.09e-51 . . . . 11458 1 10 no EMBL CAG32298 . "hypothetical protein RCJMB04_22g22 [Gallus gallus]" . . . . . 86.87 473 100.00 100.00 2.18e-51 . . . . 11458 1 11 no EMBL CAG33042 . "NONO [Homo sapiens]" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 12 no EMBL CAH89438 . "hypothetical protein [Pongo abelii]" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 13 no EMBL CAJ18449 . "Nono [Mus musculus]" . . . . . 86.87 473 100.00 100.00 8.41e-52 . . . . 11458 1 14 no GB AAA03427 . "54 kDa protein [Homo sapiens]" . . . . . 86.87 471 100.00 100.00 1.09e-51 . . . . 11458 1 15 no GB AAB27887 . "NonO [Mus sp.]" . . . . . 86.87 473 98.84 98.84 4.18e-51 . . . . 11458 1 16 no GB AAC37578 . "unnamed protein product [Homo sapiens]" . . . . . 85.86 471 100.00 100.00 5.59e-51 . . . . 11458 1 17 no GB AAC51852 . "nuclear matrix protein 55 [Homo sapiens]" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 18 no GB AAH02364 . "Non-POU domain containing, octamer-binding [Homo sapiens]" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 19 no PIR A54691 . "octamer-binding protein NonO - mouse" . . . . . 86.87 473 98.84 98.84 4.18e-51 . . . . 11458 1 20 no REF NP_001012356 . "non-POU domain-containing octamer-binding protein [Rattus norvegicus]" . . . . . 86.87 476 100.00 100.00 7.98e-52 . . . . 11458 1 21 no REF NP_001026703 . "non-POU domain-containing octamer-binding protein [Gallus gallus]" . . . . . 86.87 473 100.00 100.00 2.18e-51 . . . . 11458 1 22 no REF NP_001040019 . "non-POU domain-containing octamer-binding protein [Bos taurus]" . . . . . 86.87 470 100.00 100.00 9.14e-52 . . . . 11458 1 23 no REF NP_001124612 . "non-POU domain-containing octamer-binding protein [Pongo abelii]" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 24 no REF NP_001138880 . "non-POU domain-containing octamer-binding protein isoform 1 [Homo sapiens]" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 25 no SP Q15233 . "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein; AltName: Full=54 kDa nuclear RNA- and DNA-" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 26 no SP Q5FVM4 . "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein" . . . . . 86.87 476 100.00 100.00 7.98e-52 . . . . 11458 1 27 no SP Q5RFL9 . "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein" . . . . . 86.87 471 100.00 100.00 9.02e-52 . . . . 11458 1 28 no SP Q99K48 . "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein" . . . . . 86.87 473 100.00 100.00 8.41e-52 . . . . 11458 1 29 no TPG DAA12926 . "TPA: non-POU domain containing, octamer-binding [Bos taurus]" . . . . . 86.87 470 100.00 100.00 9.14e-52 . . . . 11458 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 61 GLY . 11458 1 2 62 SER . 11458 1 3 63 SER . 11458 1 4 64 GLY . 11458 1 5 65 SER . 11458 1 6 66 SER . 11458 1 7 67 GLY . 11458 1 8 68 GLY . 11458 1 9 69 GLU . 11458 1 10 70 LYS . 11458 1 11 71 THR . 11458 1 12 72 PHE . 11458 1 13 73 THR . 11458 1 14 74 GLN . 11458 1 15 75 ARG . 11458 1 16 76 SER . 11458 1 17 77 ARG . 11458 1 18 78 LEU . 11458 1 19 79 PHE . 11458 1 20 80 VAL . 11458 1 21 81 GLY . 11458 1 22 82 ASN . 11458 1 23 83 LEU . 11458 1 24 84 PRO . 11458 1 25 85 PRO . 11458 1 26 86 ASP . 11458 1 27 87 ILE . 11458 1 28 88 THR . 11458 1 29 89 GLU . 11458 1 30 90 GLU . 11458 1 31 91 GLU . 11458 1 32 92 MET . 11458 1 33 93 ARG . 11458 1 34 94 LYS . 11458 1 35 95 LEU . 11458 1 36 96 PHE . 11458 1 37 97 GLU . 11458 1 38 98 LYS . 11458 1 39 99 TYR . 11458 1 40 100 GLY . 11458 1 41 101 LYS . 11458 1 42 102 ALA . 11458 1 43 103 GLY . 11458 1 44 104 GLU . 11458 1 45 105 VAL . 11458 1 46 106 PHE . 11458 1 47 107 ILE . 11458 1 48 108 HIS . 11458 1 49 109 LYS . 11458 1 50 110 ASP . 11458 1 51 111 LYS . 11458 1 52 112 GLY . 11458 1 53 113 PHE . 11458 1 54 114 GLY . 11458 1 55 115 PHE . 11458 1 56 116 ILE . 11458 1 57 117 ARG . 11458 1 58 118 LEU . 11458 1 59 119 GLU . 11458 1 60 120 THR . 11458 1 61 121 ARG . 11458 1 62 122 THR . 11458 1 63 123 LEU . 11458 1 64 124 ALA . 11458 1 65 125 GLU . 11458 1 66 126 ILE . 11458 1 67 127 ALA . 11458 1 68 128 LYS . 11458 1 69 129 VAL . 11458 1 70 130 GLU . 11458 1 71 131 LEU . 11458 1 72 132 ASP . 11458 1 73 133 ASN . 11458 1 74 134 MET . 11458 1 75 135 PRO . 11458 1 76 136 LEU . 11458 1 77 137 ARG . 11458 1 78 138 GLY . 11458 1 79 139 LYS . 11458 1 80 140 GLN . 11458 1 81 141 LEU . 11458 1 82 142 ARG . 11458 1 83 143 VAL . 11458 1 84 144 ARG . 11458 1 85 145 PHE . 11458 1 86 146 ALA . 11458 1 87 147 CYS . 11458 1 88 148 HIS . 11458 1 89 149 SER . 11458 1 90 150 ALA . 11458 1 91 151 SER . 11458 1 92 152 LEU . 11458 1 93 153 THR . 11458 1 94 154 SER . 11458 1 95 155 GLY . 11458 1 96 156 PRO . 11458 1 97 157 SER . 11458 1 98 158 SER . 11458 1 99 159 GLY . 11458 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 11458 1 . SER 2 2 11458 1 . SER 3 3 11458 1 . GLY 4 4 11458 1 . SER 5 5 11458 1 . SER 6 6 11458 1 . GLY 7 7 11458 1 . GLY 8 8 11458 1 . GLU 9 9 11458 1 . LYS 10 10 11458 1 . THR 11 11 11458 1 . PHE 12 12 11458 1 . THR 13 13 11458 1 . GLN 14 14 11458 1 . ARG 15 15 11458 1 . SER 16 16 11458 1 . ARG 17 17 11458 1 . LEU 18 18 11458 1 . PHE 19 19 11458 1 . VAL 20 20 11458 1 . GLY 21 21 11458 1 . ASN 22 22 11458 1 . LEU 23 23 11458 1 . PRO 24 24 11458 1 . PRO 25 25 11458 1 . ASP 26 26 11458 1 . ILE 27 27 11458 1 . THR 28 28 11458 1 . GLU 29 29 11458 1 . GLU 30 30 11458 1 . GLU 31 31 11458 1 . MET 32 32 11458 1 . ARG 33 33 11458 1 . LYS 34 34 11458 1 . LEU 35 35 11458 1 . PHE 36 36 11458 1 . GLU 37 37 11458 1 . LYS 38 38 11458 1 . TYR 39 39 11458 1 . GLY 40 40 11458 1 . LYS 41 41 11458 1 . ALA 42 42 11458 1 . GLY 43 43 11458 1 . GLU 44 44 11458 1 . VAL 45 45 11458 1 . PHE 46 46 11458 1 . ILE 47 47 11458 1 . HIS 48 48 11458 1 . LYS 49 49 11458 1 . ASP 50 50 11458 1 . LYS 51 51 11458 1 . GLY 52 52 11458 1 . PHE 53 53 11458 1 . GLY 54 54 11458 1 . PHE 55 55 11458 1 . ILE 56 56 11458 1 . ARG 57 57 11458 1 . LEU 58 58 11458 1 . GLU 59 59 11458 1 . THR 60 60 11458 1 . ARG 61 61 11458 1 . THR 62 62 11458 1 . LEU 63 63 11458 1 . ALA 64 64 11458 1 . GLU 65 65 11458 1 . ILE 66 66 11458 1 . ALA 67 67 11458 1 . LYS 68 68 11458 1 . VAL 69 69 11458 1 . GLU 70 70 11458 1 . LEU 71 71 11458 1 . ASP 72 72 11458 1 . ASN 73 73 11458 1 . MET 74 74 11458 1 . PRO 75 75 11458 1 . LEU 76 76 11458 1 . ARG 77 77 11458 1 . GLY 78 78 11458 1 . LYS 79 79 11458 1 . GLN 80 80 11458 1 . LEU 81 81 11458 1 . ARG 82 82 11458 1 . VAL 83 83 11458 1 . ARG 84 84 11458 1 . PHE 85 85 11458 1 . ALA 86 86 11458 1 . CYS 87 87 11458 1 . HIS 88 88 11458 1 . SER 89 89 11458 1 . ALA 90 90 11458 1 . SER 91 91 11458 1 . LEU 92 92 11458 1 . THR 93 93 11458 1 . SER 94 94 11458 1 . GLY 95 95 11458 1 . PRO 96 96 11458 1 . SER 97 97 11458 1 . SER 98 98 11458 1 . GLY 99 99 11458 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11458 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11458 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 11458 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Eschrichia Coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 11458 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11458 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . protein 1.2 . . mM . . . . 11458 1 2 TRIS '[U-100% 2H]' . . . . . . 20 . . mM . . . . 11458 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11458 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11458 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11458 1 6 H2O . . . . . . solvent 90 . . % . . . . 11458 1 7 D2O . . . . . . solvent 10 . . % . . . . 11458 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 11458 _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' 120 . mM 11458 1 pH 7 . pH 11458 1 pressure 1 . atm 11458 1 temperature 298.15 . K 11458 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11458 _Software.ID 1 _Software.Name AMBER _Software.Version . _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 Kollm' . . 11458 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11458 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 11458 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11458 _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 . 700 . . . 11458 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 11458 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11458 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11458 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 11458 _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 water protons . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 11458 1 H 1 water protons . . . . ppm 4.784 internal indirect 1.0 . . . . . . . . . 11458 1 N 15 water protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 11458 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 11458 _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 '3D 1H-13C NOESY' . . . 11458 1 2 '3D 1H-15N NOESY' . . . 11458 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 7 7 GLY C C 13 174.725 0.3 . 1 . . . A 67 GLY C . 11458 1 2 . 1 1 7 7 GLY CA C 13 45.487 0.3 . 1 . . . A 67 GLY CA . 11458 1 3 . 1 1 8 8 GLY H H 1 8.24 0.03 . 1 . . . A 68 GLY H . 11458 1 4 . 1 1 8 8 GLY C C 13 174.19 0.3 . 1 . . . A 68 GLY C . 11458 1 5 . 1 1 8 8 GLY CA C 13 45.281 0.3 . 1 . . . A 68 GLY CA . 11458 1 6 . 1 1 8 8 GLY N N 15 108.791 0.3 . 1 . . . A 68 GLY N . 11458 1 7 . 1 1 9 9 GLU H H 1 8.397 0.03 . 1 . . . A 69 GLU H . 11458 1 8 . 1 1 9 9 GLU HA H 1 4.227 0.03 . 1 . . . A 69 GLU HA . 11458 1 9 . 1 1 9 9 GLU HB2 H 1 2 0.03 . 2 . . . A 69 GLU HB2 . 11458 1 10 . 1 1 9 9 GLU HB3 H 1 1.932 0.03 . 2 . . . A 69 GLU HB3 . 11458 1 11 . 1 1 9 9 GLU HG2 H 1 2.245 0.03 . 1 . . . A 69 GLU HG2 . 11458 1 12 . 1 1 9 9 GLU HG3 H 1 2.245 0.03 . 1 . . . A 69 GLU HG3 . 11458 1 13 . 1 1 9 9 GLU C C 13 176.804 0.3 . 1 . . . A 69 GLU C . 11458 1 14 . 1 1 9 9 GLU CA C 13 56.758 0.3 . 1 . . . A 69 GLU CA . 11458 1 15 . 1 1 9 9 GLU CB C 13 30.168 0.3 . 1 . . . A 69 GLU CB . 11458 1 16 . 1 1 9 9 GLU CG C 13 36.189 0.3 . 1 . . . A 69 GLU CG . 11458 1 17 . 1 1 9 9 GLU N N 15 120.883 0.3 . 1 . . . A 69 GLU N . 11458 1 18 . 1 1 10 10 LYS H H 1 8.447 0.03 . 1 . . . A 70 LYS H . 11458 1 19 . 1 1 10 10 LYS HA H 1 4.324 0.03 . 1 . . . A 70 LYS HA . 11458 1 20 . 1 1 10 10 LYS HB2 H 1 1.716 0.03 . 2 . . . A 70 LYS HB2 . 11458 1 21 . 1 1 10 10 LYS HB3 H 1 1.781 0.03 . 2 . . . A 70 LYS HB3 . 11458 1 22 . 1 1 10 10 LYS HG2 H 1 1.383 0.03 . 2 . . . A 70 LYS HG2 . 11458 1 23 . 1 1 10 10 LYS HG3 H 1 1.44 0.03 . 2 . . . A 70 LYS HG3 . 11458 1 24 . 1 1 10 10 LYS HD2 H 1 1.657 0.03 . 1 . . . A 70 LYS HD2 . 11458 1 25 . 1 1 10 10 LYS HD3 H 1 1.657 0.03 . 1 . . . A 70 LYS HD3 . 11458 1 26 . 1 1 10 10 LYS HE2 H 1 2.966 0.03 . 1 . . . A 70 LYS HE2 . 11458 1 27 . 1 1 10 10 LYS HE3 H 1 2.966 0.03 . 1 . . . A 70 LYS HE3 . 11458 1 28 . 1 1 10 10 LYS C C 13 176.645 0.3 . 1 . . . A 70 LYS C . 11458 1 29 . 1 1 10 10 LYS CA C 13 56.333 0.3 . 1 . . . A 70 LYS CA . 11458 1 30 . 1 1 10 10 LYS CB C 13 32.805 0.3 . 1 . . . A 70 LYS CB . 11458 1 31 . 1 1 10 10 LYS CG C 13 24.813 0.3 . 1 . . . A 70 LYS CG . 11458 1 32 . 1 1 10 10 LYS CD C 13 29.068 0.3 . 1 . . . A 70 LYS CD . 11458 1 33 . 1 1 10 10 LYS CE C 13 42.196 0.3 . 1 . . . A 70 LYS CE . 11458 1 34 . 1 1 10 10 LYS N N 15 122.216 0.3 . 1 . . . A 70 LYS N . 11458 1 35 . 1 1 11 11 THR H H 1 7.969 0.03 . 1 . . . A 71 THR H . 11458 1 36 . 1 1 11 11 THR HA H 1 4.426 0.03 . 1 . . . A 71 THR HA . 11458 1 37 . 1 1 11 11 THR HB H 1 4.102 0.03 . 1 . . . A 71 THR HB . 11458 1 38 . 1 1 11 11 THR HG21 H 1 1.085 0.03 . 1 . . . A 71 THR HG21 . 11458 1 39 . 1 1 11 11 THR HG22 H 1 1.085 0.03 . 1 . . . A 71 THR HG22 . 11458 1 40 . 1 1 11 11 THR HG23 H 1 1.085 0.03 . 1 . . . A 71 THR HG23 . 11458 1 41 . 1 1 11 11 THR C C 13 174.442 0.3 . 1 . . . A 71 THR C . 11458 1 42 . 1 1 11 11 THR CA C 13 60.927 0.3 . 1 . . . A 71 THR CA . 11458 1 43 . 1 1 11 11 THR CB C 13 70.377 0.3 . 1 . . . A 71 THR CB . 11458 1 44 . 1 1 11 11 THR CG2 C 13 21.837 0.3 . 1 . . . A 71 THR CG2 . 11458 1 45 . 1 1 11 11 THR N N 15 113.038 0.3 . 1 . . . A 71 THR N . 11458 1 46 . 1 1 12 12 PHE H H 1 8.445 0.03 . 1 . . . A 72 PHE H . 11458 1 47 . 1 1 12 12 PHE HA H 1 4.409 0.03 . 1 . . . A 72 PHE HA . 11458 1 48 . 1 1 12 12 PHE HB2 H 1 3.137 0.03 . 2 . . . A 72 PHE HB2 . 11458 1 49 . 1 1 12 12 PHE HB3 H 1 3.068 0.03 . 2 . . . A 72 PHE HB3 . 11458 1 50 . 1 1 12 12 PHE HD1 H 1 7.095 0.03 . 1 . . . A 72 PHE HD1 . 11458 1 51 . 1 1 12 12 PHE HD2 H 1 7.095 0.03 . 1 . . . A 72 PHE HD2 . 11458 1 52 . 1 1 12 12 PHE HE1 H 1 7.181 0.03 . 1 . . . A 72 PHE HE1 . 11458 1 53 . 1 1 12 12 PHE HE2 H 1 7.181 0.03 . 1 . . . A 72 PHE HE2 . 11458 1 54 . 1 1 12 12 PHE HZ H 1 7.167 0.03 . 1 . . . A 72 PHE HZ . 11458 1 55 . 1 1 12 12 PHE C C 13 176.207 0.3 . 1 . . . A 72 PHE C . 11458 1 56 . 1 1 12 12 PHE CA C 13 58.363 0.3 . 1 . . . A 72 PHE CA . 11458 1 57 . 1 1 12 12 PHE CB C 13 38.164 0.3 . 1 . . . A 72 PHE CB . 11458 1 58 . 1 1 12 12 PHE CD1 C 13 131.685 0.3 . 1 . . . A 72 PHE CD1 . 11458 1 59 . 1 1 12 12 PHE CD2 C 13 131.685 0.3 . 1 . . . A 72 PHE CD2 . 11458 1 60 . 1 1 12 12 PHE CE1 C 13 131.31 0.3 . 1 . . . A 72 PHE CE1 . 11458 1 61 . 1 1 12 12 PHE CE2 C 13 131.31 0.3 . 1 . . . A 72 PHE CE2 . 11458 1 62 . 1 1 12 12 PHE CZ C 13 129.435 0.3 . 1 . . . A 72 PHE CZ . 11458 1 63 . 1 1 12 12 PHE N N 15 118.294 0.3 . 1 . . . A 72 PHE N . 11458 1 64 . 1 1 13 13 THR H H 1 8.049 0.03 . 1 . . . A 73 THR H . 11458 1 65 . 1 1 13 13 THR HA H 1 4.389 0.03 . 1 . . . A 73 THR HA . 11458 1 66 . 1 1 13 13 THR HB H 1 4.36 0.03 . 1 . . . A 73 THR HB . 11458 1 67 . 1 1 13 13 THR HG21 H 1 1.12 0.03 . 1 . . . A 73 THR HG21 . 11458 1 68 . 1 1 13 13 THR HG22 H 1 1.12 0.03 . 1 . . . A 73 THR HG22 . 11458 1 69 . 1 1 13 13 THR HG23 H 1 1.12 0.03 . 1 . . . A 73 THR HG23 . 11458 1 70 . 1 1 13 13 THR C C 13 175.142 0.3 . 1 . . . A 73 THR C . 11458 1 71 . 1 1 13 13 THR CA C 13 61.777 0.3 . 1 . . . A 73 THR CA . 11458 1 72 . 1 1 13 13 THR CB C 13 70.408 0.3 . 1 . . . A 73 THR CB . 11458 1 73 . 1 1 13 13 THR CG2 C 13 21.609 0.3 . 1 . . . A 73 THR CG2 . 11458 1 74 . 1 1 13 13 THR N N 15 112.571 0.3 . 1 . . . A 73 THR N . 11458 1 75 . 1 1 14 14 GLN HG2 H 1 2.367 0.03 . 1 . . . A 74 GLN HG2 . 11458 1 76 . 1 1 14 14 GLN HG3 H 1 2.367 0.03 . 1 . . . A 74 GLN HG3 . 11458 1 77 . 1 1 14 14 GLN HE21 H 1 7.437 0.03 . 2 . . . A 74 GLN HE21 . 11458 1 78 . 1 1 14 14 GLN HE22 H 1 6.826 0.03 . 2 . . . A 74 GLN HE22 . 11458 1 79 . 1 1 14 14 GLN NE2 N 15 112.042 0.3 . 1 . . . A 74 GLN NE2 . 11458 1 80 . 1 1 15 15 ARG HA H 1 4.289 0.03 . 1 . . . A 75 ARG HA . 11458 1 81 . 1 1 15 15 ARG HB2 H 1 1.691 0.03 . 2 . . . A 75 ARG HB2 . 11458 1 82 . 1 1 15 15 ARG HB3 H 1 1.857 0.03 . 2 . . . A 75 ARG HB3 . 11458 1 83 . 1 1 15 15 ARG HG2 H 1 1.548 0.03 . 1 . . . A 75 ARG HG2 . 11458 1 84 . 1 1 15 15 ARG HG3 H 1 1.548 0.03 . 1 . . . A 75 ARG HG3 . 11458 1 85 . 1 1 15 15 ARG HD2 H 1 3.081 0.03 . 1 . . . A 75 ARG HD2 . 11458 1 86 . 1 1 15 15 ARG HD3 H 1 3.081 0.03 . 1 . . . A 75 ARG HD3 . 11458 1 87 . 1 1 15 15 ARG C C 13 175.67 0.3 . 1 . . . A 75 ARG C . 11458 1 88 . 1 1 15 15 ARG CA C 13 56.923 0.3 . 1 . . . A 75 ARG CA . 11458 1 89 . 1 1 15 15 ARG CB C 13 29.811 0.3 . 1 . . . A 75 ARG CB . 11458 1 90 . 1 1 15 15 ARG CG C 13 27.55 0.3 . 1 . . . A 75 ARG CG . 11458 1 91 . 1 1 15 15 ARG CD C 13 43.185 0.3 . 1 . . . A 75 ARG CD . 11458 1 92 . 1 1 16 16 SER H H 1 7.856 0.03 . 1 . . . A 76 SER H . 11458 1 93 . 1 1 16 16 SER HA H 1 4.514 0.03 . 1 . . . A 76 SER HA . 11458 1 94 . 1 1 16 16 SER HB2 H 1 3.102 0.03 . 2 . . . A 76 SER HB2 . 11458 1 95 . 1 1 16 16 SER HB3 H 1 3.914 0.03 . 2 . . . A 76 SER HB3 . 11458 1 96 . 1 1 16 16 SER C C 13 171.709 0.3 . 1 . . . A 76 SER C . 11458 1 97 . 1 1 16 16 SER CA C 13 56.776 0.3 . 1 . . . A 76 SER CA . 11458 1 98 . 1 1 16 16 SER CB C 13 62.818 0.3 . 1 . . . A 76 SER CB . 11458 1 99 . 1 1 16 16 SER N N 15 111.466 0.3 . 1 . . . A 76 SER N . 11458 1 100 . 1 1 17 17 ARG H H 1 7.612 0.03 . 1 . . . A 77 ARG H . 11458 1 101 . 1 1 17 17 ARG HA H 1 4.948 0.03 . 1 . . . A 77 ARG HA . 11458 1 102 . 1 1 17 17 ARG HB2 H 1 1.529 0.03 . 2 . . . A 77 ARG HB2 . 11458 1 103 . 1 1 17 17 ARG HB3 H 1 2.031 0.03 . 2 . . . A 77 ARG HB3 . 11458 1 104 . 1 1 17 17 ARG HG2 H 1 1.427 0.03 . 1 . . . A 77 ARG HG2 . 11458 1 105 . 1 1 17 17 ARG HG3 H 1 1.427 0.03 . 1 . . . A 77 ARG HG3 . 11458 1 106 . 1 1 17 17 ARG HD2 H 1 2.815 0.03 . 2 . . . A 77 ARG HD2 . 11458 1 107 . 1 1 17 17 ARG HD3 H 1 2.951 0.03 . 2 . . . A 77 ARG HD3 . 11458 1 108 . 1 1 17 17 ARG C C 13 174.7 0.3 . 1 . . . A 77 ARG C . 11458 1 109 . 1 1 17 17 ARG CA C 13 55.311 0.3 . 1 . . . A 77 ARG CA . 11458 1 110 . 1 1 17 17 ARG CB C 13 32.857 0.3 . 1 . . . A 77 ARG CB . 11458 1 111 . 1 1 17 17 ARG CG C 13 28.311 0.3 . 1 . . . A 77 ARG CG . 11458 1 112 . 1 1 17 17 ARG CD C 13 43.377 0.3 . 1 . . . A 77 ARG CD . 11458 1 113 . 1 1 17 17 ARG N N 15 122.611 0.3 . 1 . . . A 77 ARG N . 11458 1 114 . 1 1 18 18 LEU H H 1 9.294 0.03 . 1 . . . A 78 LEU H . 11458 1 115 . 1 1 18 18 LEU HA H 1 4.903 0.03 . 1 . . . A 78 LEU HA . 11458 1 116 . 1 1 18 18 LEU HB2 H 1 1.138 0.03 . 2 . . . A 78 LEU HB2 . 11458 1 117 . 1 1 18 18 LEU HB3 H 1 1.512 0.03 . 2 . . . A 78 LEU HB3 . 11458 1 118 . 1 1 18 18 LEU HG H 1 1.333 0.03 . 1 . . . A 78 LEU HG . 11458 1 119 . 1 1 18 18 LEU HD11 H 1 0.674 0.03 . 1 . . . A 78 LEU HD11 . 11458 1 120 . 1 1 18 18 LEU HD12 H 1 0.674 0.03 . 1 . . . A 78 LEU HD12 . 11458 1 121 . 1 1 18 18 LEU HD13 H 1 0.674 0.03 . 1 . . . A 78 LEU HD13 . 11458 1 122 . 1 1 18 18 LEU HD21 H 1 0.139 0.03 . 1 . . . A 78 LEU HD21 . 11458 1 123 . 1 1 18 18 LEU HD22 H 1 0.139 0.03 . 1 . . . A 78 LEU HD22 . 11458 1 124 . 1 1 18 18 LEU HD23 H 1 0.139 0.03 . 1 . . . A 78 LEU HD23 . 11458 1 125 . 1 1 18 18 LEU C C 13 175.609 0.3 . 1 . . . A 78 LEU C . 11458 1 126 . 1 1 18 18 LEU CA C 13 53.555 0.3 . 1 . . . A 78 LEU CA . 11458 1 127 . 1 1 18 18 LEU CB C 13 43.734 0.3 . 1 . . . A 78 LEU CB . 11458 1 128 . 1 1 18 18 LEU CG C 13 26.361 0.3 . 1 . . . A 78 LEU CG . 11458 1 129 . 1 1 18 18 LEU CD1 C 13 26.186 0.3 . 2 . . . A 78 LEU CD1 . 11458 1 130 . 1 1 18 18 LEU CD2 C 13 22.532 0.3 . 2 . . . A 78 LEU CD2 . 11458 1 131 . 1 1 18 18 LEU N N 15 127.135 0.3 . 1 . . . A 78 LEU N . 11458 1 132 . 1 1 19 19 PHE H H 1 9.291 0.03 . 1 . . . A 79 PHE H . 11458 1 133 . 1 1 19 19 PHE HA H 1 4.775 0.03 . 1 . . . A 79 PHE HA . 11458 1 134 . 1 1 19 19 PHE HB2 H 1 2.683 0.03 . 2 . . . A 79 PHE HB2 . 11458 1 135 . 1 1 19 19 PHE HB3 H 1 2.924 0.03 . 2 . . . A 79 PHE HB3 . 11458 1 136 . 1 1 19 19 PHE HD1 H 1 6.785 0.03 . 1 . . . A 79 PHE HD1 . 11458 1 137 . 1 1 19 19 PHE HD2 H 1 6.785 0.03 . 1 . . . A 79 PHE HD2 . 11458 1 138 . 1 1 19 19 PHE HE1 H 1 7.178 0.03 . 1 . . . A 79 PHE HE1 . 11458 1 139 . 1 1 19 19 PHE HE2 H 1 7.178 0.03 . 1 . . . A 79 PHE HE2 . 11458 1 140 . 1 1 19 19 PHE C C 13 173.429 0.3 . 1 . . . A 79 PHE C . 11458 1 141 . 1 1 19 19 PHE CA C 13 56.436 0.3 . 1 . . . A 79 PHE CA . 11458 1 142 . 1 1 19 19 PHE CB C 13 41.179 0.3 . 1 . . . A 79 PHE CB . 11458 1 143 . 1 1 19 19 PHE CD1 C 13 131.862 0.3 . 1 . . . A 79 PHE CD1 . 11458 1 144 . 1 1 19 19 PHE CD2 C 13 131.862 0.3 . 1 . . . A 79 PHE CD2 . 11458 1 145 . 1 1 19 19 PHE CE1 C 13 131.685 0.3 . 1 . . . A 79 PHE CE1 . 11458 1 146 . 1 1 19 19 PHE CE2 C 13 131.685 0.3 . 1 . . . A 79 PHE CE2 . 11458 1 147 . 1 1 19 19 PHE N N 15 123.032 0.3 . 1 . . . A 79 PHE N . 11458 1 148 . 1 1 20 20 VAL H H 1 8.211 0.03 . 1 . . . A 80 VAL H . 11458 1 149 . 1 1 20 20 VAL HA H 1 4.746 0.03 . 1 . . . A 80 VAL HA . 11458 1 150 . 1 1 20 20 VAL HB H 1 1.601 0.03 . 1 . . . A 80 VAL HB . 11458 1 151 . 1 1 20 20 VAL HG11 H 1 0.775 0.03 . 1 . . . A 80 VAL HG11 . 11458 1 152 . 1 1 20 20 VAL HG12 H 1 0.775 0.03 . 1 . . . A 80 VAL HG12 . 11458 1 153 . 1 1 20 20 VAL HG13 H 1 0.775 0.03 . 1 . . . A 80 VAL HG13 . 11458 1 154 . 1 1 20 20 VAL HG21 H 1 0.824 0.03 . 1 . . . A 80 VAL HG21 . 11458 1 155 . 1 1 20 20 VAL HG22 H 1 0.824 0.03 . 1 . . . A 80 VAL HG22 . 11458 1 156 . 1 1 20 20 VAL HG23 H 1 0.824 0.03 . 1 . . . A 80 VAL HG23 . 11458 1 157 . 1 1 20 20 VAL C C 13 173.98 0.3 . 1 . . . A 80 VAL C . 11458 1 158 . 1 1 20 20 VAL CA C 13 60.09 0.3 . 1 . . . A 80 VAL CA . 11458 1 159 . 1 1 20 20 VAL CB C 13 32.813 0.3 . 1 . . . A 80 VAL CB . 11458 1 160 . 1 1 20 20 VAL CG1 C 13 20.886 0.3 . 2 . . . A 80 VAL CG1 . 11458 1 161 . 1 1 20 20 VAL CG2 C 13 22.367 0.3 . 2 . . . A 80 VAL CG2 . 11458 1 162 . 1 1 20 20 VAL N N 15 126.977 0.3 . 1 . . . A 80 VAL N . 11458 1 163 . 1 1 21 21 GLY H H 1 9.46 0.03 . 1 . . . A 81 GLY H . 11458 1 164 . 1 1 21 21 GLY HA2 H 1 4.667 0.03 . 2 . . . A 81 GLY HA2 . 11458 1 165 . 1 1 21 21 GLY HA3 H 1 3.612 0.03 . 2 . . . A 81 GLY HA3 . 11458 1 166 . 1 1 21 21 GLY C C 13 173.204 0.3 . 1 . . . A 81 GLY C . 11458 1 167 . 1 1 21 21 GLY CA C 13 43.1 0.3 . 1 . . . A 81 GLY CA . 11458 1 168 . 1 1 21 21 GLY N N 15 112.68 0.3 . 1 . . . A 81 GLY N . 11458 1 169 . 1 1 22 22 ASN H H 1 8.311 0.03 . 1 . . . A 82 ASN H . 11458 1 170 . 1 1 22 22 ASN HA H 1 4.401 0.03 . 1 . . . A 82 ASN HA . 11458 1 171 . 1 1 22 22 ASN HB2 H 1 2.849 0.03 . 2 . . . A 82 ASN HB2 . 11458 1 172 . 1 1 22 22 ASN HB3 H 1 3.456 0.03 . 2 . . . A 82 ASN HB3 . 11458 1 173 . 1 1 22 22 ASN HD21 H 1 6.86 0.03 . 2 . . . A 82 ASN HD21 . 11458 1 174 . 1 1 22 22 ASN HD22 H 1 7.947 0.03 . 2 . . . A 82 ASN HD22 . 11458 1 175 . 1 1 22 22 ASN C C 13 173.476 0.3 . 1 . . . A 82 ASN C . 11458 1 176 . 1 1 22 22 ASN CA C 13 53.133 0.3 . 1 . . . A 82 ASN CA . 11458 1 177 . 1 1 22 22 ASN CB C 13 37.424 0.3 . 1 . . . A 82 ASN CB . 11458 1 178 . 1 1 22 22 ASN N N 15 115.024 0.3 . 1 . . . A 82 ASN N . 11458 1 179 . 1 1 22 22 ASN ND2 N 15 112.006 0.3 . 1 . . . A 82 ASN ND2 . 11458 1 180 . 1 1 23 23 LEU H H 1 7.632 0.03 . 1 . . . A 83 LEU H . 11458 1 181 . 1 1 23 23 LEU HA H 1 4.025 0.03 . 1 . . . A 83 LEU HA . 11458 1 182 . 1 1 23 23 LEU HB2 H 1 1.07 0.03 . 2 . . . A 83 LEU HB2 . 11458 1 183 . 1 1 23 23 LEU HB3 H 1 1.251 0.03 . 2 . . . A 83 LEU HB3 . 11458 1 184 . 1 1 23 23 LEU HG H 1 1.395 0.03 . 1 . . . A 83 LEU HG . 11458 1 185 . 1 1 23 23 LEU HD11 H 1 0.464 0.03 . 1 . . . A 83 LEU HD11 . 11458 1 186 . 1 1 23 23 LEU HD12 H 1 0.464 0.03 . 1 . . . A 83 LEU HD12 . 11458 1 187 . 1 1 23 23 LEU HD13 H 1 0.464 0.03 . 1 . . . A 83 LEU HD13 . 11458 1 188 . 1 1 23 23 LEU HD21 H 1 0.582 0.03 . 1 . . . A 83 LEU HD21 . 11458 1 189 . 1 1 23 23 LEU HD22 H 1 0.582 0.03 . 1 . . . A 83 LEU HD22 . 11458 1 190 . 1 1 23 23 LEU HD23 H 1 0.582 0.03 . 1 . . . A 83 LEU HD23 . 11458 1 191 . 1 1 23 23 LEU CA C 13 52.865 0.3 . 1 . . . A 83 LEU CA . 11458 1 192 . 1 1 23 23 LEU CB C 13 41 0.3 . 1 . . . A 83 LEU CB . 11458 1 193 . 1 1 23 23 LEU CG C 13 26.561 0.3 . 1 . . . A 83 LEU CG . 11458 1 194 . 1 1 23 23 LEU CD1 C 13 25.561 0.3 . 2 . . . A 83 LEU CD1 . 11458 1 195 . 1 1 23 23 LEU CD2 C 13 22.688 0.3 . 2 . . . A 83 LEU CD2 . 11458 1 196 . 1 1 24 24 PRO HA H 1 4.547 0.03 . 1 . . . A 84 PRO HA . 11458 1 197 . 1 1 24 24 PRO HB2 H 1 2.457 0.03 . 2 . . . A 84 PRO HB2 . 11458 1 198 . 1 1 24 24 PRO HB3 H 1 2.011 0.03 . 2 . . . A 84 PRO HB3 . 11458 1 199 . 1 1 24 24 PRO HG2 H 1 1.817 0.03 . 2 . . . A 84 PRO HG2 . 11458 1 200 . 1 1 24 24 PRO HG3 H 1 1.935 0.03 . 2 . . . A 84 PRO HG3 . 11458 1 201 . 1 1 24 24 PRO HD2 H 1 3.698 0.03 . 2 . . . A 84 PRO HD2 . 11458 1 202 . 1 1 24 24 PRO HD3 H 1 3.323 0.03 . 2 . . . A 84 PRO HD3 . 11458 1 203 . 1 1 24 24 PRO CA C 13 61.186 0.3 . 1 . . . A 84 PRO CA . 11458 1 204 . 1 1 24 24 PRO CB C 13 31.023 0.3 . 1 . . . A 84 PRO CB . 11458 1 205 . 1 1 24 24 PRO CG C 13 27.474 0.3 . 1 . . . A 84 PRO CG . 11458 1 206 . 1 1 24 24 PRO CD C 13 49.955 0.3 . 1 . . . A 84 PRO CD . 11458 1 207 . 1 1 25 25 PRO HA H 1 4.396 0.03 . 1 . . . A 85 PRO HA . 11458 1 208 . 1 1 25 25 PRO HB2 H 1 2.284 0.03 . 2 . . . A 85 PRO HB2 . 11458 1 209 . 1 1 25 25 PRO HB3 H 1 1.972 0.03 . 2 . . . A 85 PRO HB3 . 11458 1 210 . 1 1 25 25 PRO HG2 H 1 2.063 0.03 . 2 . . . A 85 PRO HG2 . 11458 1 211 . 1 1 25 25 PRO HG3 H 1 1.927 0.03 . 2 . . . A 85 PRO HG3 . 11458 1 212 . 1 1 25 25 PRO HD2 H 1 3.638 0.03 . 2 . . . A 85 PRO HD2 . 11458 1 213 . 1 1 25 25 PRO HD3 H 1 3.793 0.03 . 2 . . . A 85 PRO HD3 . 11458 1 214 . 1 1 25 25 PRO C C 13 176.035 0.3 . 1 . . . A 85 PRO C . 11458 1 215 . 1 1 25 25 PRO CA C 13 64.163 0.3 . 1 . . . A 85 PRO CA . 11458 1 216 . 1 1 25 25 PRO CB C 13 31.563 0.3 . 1 . . . A 85 PRO CB . 11458 1 217 . 1 1 25 25 PRO CG C 13 27.258 0.3 . 1 . . . A 85 PRO CG . 11458 1 218 . 1 1 25 25 PRO CD C 13 50.388 0.3 . 1 . . . A 85 PRO CD . 11458 1 219 . 1 1 26 26 ASP H H 1 8.041 0.03 . 1 . . . A 86 ASP H . 11458 1 220 . 1 1 26 26 ASP HA H 1 4.541 0.03 . 1 . . . A 86 ASP HA . 11458 1 221 . 1 1 26 26 ASP HB2 H 1 2.505 0.03 . 2 . . . A 86 ASP HB2 . 11458 1 222 . 1 1 26 26 ASP HB3 H 1 2.972 0.03 . 2 . . . A 86 ASP HB3 . 11458 1 223 . 1 1 26 26 ASP C C 13 176.215 0.3 . 1 . . . A 86 ASP C . 11458 1 224 . 1 1 26 26 ASP CA C 13 52 0.3 . 1 . . . A 86 ASP CA . 11458 1 225 . 1 1 26 26 ASP CB C 13 39.316 0.3 . 1 . . . A 86 ASP CB . 11458 1 226 . 1 1 26 26 ASP N N 15 114.544 0.3 . 1 . . . A 86 ASP N . 11458 1 227 . 1 1 27 27 ILE H H 1 7.146 0.03 . 1 . . . A 87 ILE H . 11458 1 228 . 1 1 27 27 ILE HA H 1 4.158 0.03 . 1 . . . A 87 ILE HA . 11458 1 229 . 1 1 27 27 ILE HB H 1 1.705 0.03 . 1 . . . A 87 ILE HB . 11458 1 230 . 1 1 27 27 ILE HG12 H 1 1.348 0.03 . 2 . . . A 87 ILE HG12 . 11458 1 231 . 1 1 27 27 ILE HG13 H 1 1.598 0.03 . 2 . . . A 87 ILE HG13 . 11458 1 232 . 1 1 27 27 ILE HG21 H 1 0.766 0.03 . 1 . . . A 87 ILE HG21 . 11458 1 233 . 1 1 27 27 ILE HG22 H 1 0.766 0.03 . 1 . . . A 87 ILE HG22 . 11458 1 234 . 1 1 27 27 ILE HG23 H 1 0.766 0.03 . 1 . . . A 87 ILE HG23 . 11458 1 235 . 1 1 27 27 ILE HD11 H 1 0.797 0.03 . 1 . . . A 87 ILE HD11 . 11458 1 236 . 1 1 27 27 ILE HD12 H 1 0.797 0.03 . 1 . . . A 87 ILE HD12 . 11458 1 237 . 1 1 27 27 ILE HD13 H 1 0.797 0.03 . 1 . . . A 87 ILE HD13 . 11458 1 238 . 1 1 27 27 ILE C C 13 172.468 0.3 . 1 . . . A 87 ILE C . 11458 1 239 . 1 1 27 27 ILE CA C 13 59.597 0.3 . 1 . . . A 87 ILE CA . 11458 1 240 . 1 1 27 27 ILE CB C 13 39.179 0.3 . 1 . . . A 87 ILE CB . 11458 1 241 . 1 1 27 27 ILE CG1 C 13 28.538 0.3 . 1 . . . A 87 ILE CG1 . 11458 1 242 . 1 1 27 27 ILE CG2 C 13 18.598 0.3 . 1 . . . A 87 ILE CG2 . 11458 1 243 . 1 1 27 27 ILE CD1 C 13 13.975 0.3 . 1 . . . A 87 ILE CD1 . 11458 1 244 . 1 1 27 27 ILE N N 15 120.018 0.3 . 1 . . . A 87 ILE N . 11458 1 245 . 1 1 28 28 THR H H 1 6.879 0.03 . 1 . . . A 88 THR H . 11458 1 246 . 1 1 28 28 THR HA H 1 4.695 0.03 . 1 . . . A 88 THR HA . 11458 1 247 . 1 1 28 28 THR HB H 1 4.625 0.03 . 1 . . . A 88 THR HB . 11458 1 248 . 1 1 28 28 THR HG21 H 1 1.222 0.03 . 1 . . . A 88 THR HG21 . 11458 1 249 . 1 1 28 28 THR HG22 H 1 1.222 0.03 . 1 . . . A 88 THR HG22 . 11458 1 250 . 1 1 28 28 THR HG23 H 1 1.222 0.03 . 1 . . . A 88 THR HG23 . 11458 1 251 . 1 1 28 28 THR C C 13 175.006 0.3 . 1 . . . A 88 THR C . 11458 1 252 . 1 1 28 28 THR CA C 13 58.796 0.3 . 1 . . . A 88 THR CA . 11458 1 253 . 1 1 28 28 THR CB C 13 72.891 0.3 . 1 . . . A 88 THR CB . 11458 1 254 . 1 1 28 28 THR CG2 C 13 21.598 0.3 . 1 . . . A 88 THR CG2 . 11458 1 255 . 1 1 28 28 THR N N 15 113.306 0.3 . 1 . . . A 88 THR N . 11458 1 256 . 1 1 29 29 GLU H H 1 9.267 0.03 . 1 . . . A 89 GLU H . 11458 1 257 . 1 1 29 29 GLU HA H 1 3.639 0.03 . 1 . . . A 89 GLU HA . 11458 1 258 . 1 1 29 29 GLU HB2 H 1 1.89 0.03 . 2 . . . A 89 GLU HB2 . 11458 1 259 . 1 1 29 29 GLU HB3 H 1 2.071 0.03 . 2 . . . A 89 GLU HB3 . 11458 1 260 . 1 1 29 29 GLU HG2 H 1 2.14 0.03 . 2 . . . A 89 GLU HG2 . 11458 1 261 . 1 1 29 29 GLU HG3 H 1 2.181 0.03 . 2 . . . A 89 GLU HG3 . 11458 1 262 . 1 1 29 29 GLU C C 13 178.022 0.3 . 1 . . . A 89 GLU C . 11458 1 263 . 1 1 29 29 GLU CA C 13 60.626 0.3 . 1 . . . A 89 GLU CA . 11458 1 264 . 1 1 29 29 GLU CB C 13 28.68 0.3 . 1 . . . A 89 GLU CB . 11458 1 265 . 1 1 29 29 GLU CG C 13 36.776 0.3 . 1 . . . A 89 GLU CG . 11458 1 266 . 1 1 29 29 GLU N N 15 122.691 0.3 . 1 . . . A 89 GLU N . 11458 1 267 . 1 1 30 30 GLU H H 1 8.703 0.03 . 1 . . . A 90 GLU H . 11458 1 268 . 1 1 30 30 GLU HA H 1 3.909 0.03 . 1 . . . A 90 GLU HA . 11458 1 269 . 1 1 30 30 GLU HB2 H 1 1.872 0.03 . 2 . . . A 90 GLU HB2 . 11458 1 270 . 1 1 30 30 GLU HB3 H 1 2.043 0.03 . 2 . . . A 90 GLU HB3 . 11458 1 271 . 1 1 30 30 GLU HG2 H 1 2.272 0.03 . 1 . . . A 90 GLU HG2 . 11458 1 272 . 1 1 30 30 GLU HG3 H 1 2.272 0.03 . 1 . . . A 90 GLU HG3 . 11458 1 273 . 1 1 30 30 GLU C C 13 178.742 0.3 . 1 . . . A 90 GLU C . 11458 1 274 . 1 1 30 30 GLU CA C 13 59.848 0.3 . 1 . . . A 90 GLU CA . 11458 1 275 . 1 1 30 30 GLU CB C 13 29.072 0.3 . 1 . . . A 90 GLU CB . 11458 1 276 . 1 1 30 30 GLU CG C 13 36.194 0.3 . 1 . . . A 90 GLU CG . 11458 1 277 . 1 1 30 30 GLU N N 15 118.615 0.3 . 1 . . . A 90 GLU N . 11458 1 278 . 1 1 31 31 GLU H H 1 7.902 0.03 . 1 . . . A 91 GLU H . 11458 1 279 . 1 1 31 31 GLU HA H 1 3.938 0.03 . 1 . . . A 91 GLU HA . 11458 1 280 . 1 1 31 31 GLU HB2 H 1 1.934 0.03 . 2 . . . A 91 GLU HB2 . 11458 1 281 . 1 1 31 31 GLU HB3 H 1 2.066 0.03 . 2 . . . A 91 GLU HB3 . 11458 1 282 . 1 1 31 31 GLU HG2 H 1 2.288 0.03 . 2 . . . A 91 GLU HG2 . 11458 1 283 . 1 1 31 31 GLU HG3 H 1 2.062 0.03 . 2 . . . A 91 GLU HG3 . 11458 1 284 . 1 1 31 31 GLU C C 13 178.882 0.3 . 1 . . . A 91 GLU C . 11458 1 285 . 1 1 31 31 GLU CA C 13 59.16 0.3 . 1 . . . A 91 GLU CA . 11458 1 286 . 1 1 31 31 GLU CB C 13 29.936 0.3 . 1 . . . A 91 GLU CB . 11458 1 287 . 1 1 31 31 GLU CG C 13 36.186 0.3 . 1 . . . A 91 GLU CG . 11458 1 288 . 1 1 31 31 GLU N N 15 121.075 0.3 . 1 . . . A 91 GLU N . 11458 1 289 . 1 1 32 32 MET H H 1 8.153 0.03 . 1 . . . A 92 MET H . 11458 1 290 . 1 1 32 32 MET HA H 1 4.061 0.03 . 1 . . . A 92 MET HA . 11458 1 291 . 1 1 32 32 MET HB2 H 1 2.006 0.03 . 2 . . . A 92 MET HB2 . 11458 1 292 . 1 1 32 32 MET HB3 H 1 2.075 0.03 . 2 . . . A 92 MET HB3 . 11458 1 293 . 1 1 32 32 MET HG2 H 1 2.338 0.03 . 2 . . . A 92 MET HG2 . 11458 1 294 . 1 1 32 32 MET HG3 H 1 2.396 0.03 . 2 . . . A 92 MET HG3 . 11458 1 295 . 1 1 32 32 MET HE1 H 1 1.696 0.03 . 1 . . . A 92 MET HE1 . 11458 1 296 . 1 1 32 32 MET HE2 H 1 1.696 0.03 . 1 . . . A 92 MET HE2 . 11458 1 297 . 1 1 32 32 MET HE3 H 1 1.696 0.03 . 1 . . . A 92 MET HE3 . 11458 1 298 . 1 1 32 32 MET C C 13 177.668 0.3 . 1 . . . A 92 MET C . 11458 1 299 . 1 1 32 32 MET CA C 13 59.037 0.3 . 1 . . . A 92 MET CA . 11458 1 300 . 1 1 32 32 MET CB C 13 32.732 0.3 . 1 . . . A 92 MET CB . 11458 1 301 . 1 1 32 32 MET CG C 13 33.177 0.3 . 1 . . . A 92 MET CG . 11458 1 302 . 1 1 32 32 MET CE C 13 17.497 0.3 . 1 . . . A 92 MET CE . 11458 1 303 . 1 1 32 32 MET N N 15 118.949 0.3 . 1 . . . A 92 MET N . 11458 1 304 . 1 1 33 33 ARG H H 1 8.396 0.03 . 1 . . . A 93 ARG H . 11458 1 305 . 1 1 33 33 ARG HA H 1 3.817 0.03 . 1 . . . A 93 ARG HA . 11458 1 306 . 1 1 33 33 ARG HB2 H 1 1.827 0.03 . 2 . . . A 93 ARG HB2 . 11458 1 307 . 1 1 33 33 ARG HB3 H 1 1.86 0.03 . 2 . . . A 93 ARG HB3 . 11458 1 308 . 1 1 33 33 ARG HG2 H 1 1.464 0.03 . 1 . . . A 93 ARG HG2 . 11458 1 309 . 1 1 33 33 ARG HG3 H 1 1.464 0.03 . 1 . . . A 93 ARG HG3 . 11458 1 310 . 1 1 33 33 ARG HD2 H 1 3.281 0.03 . 2 . . . A 93 ARG HD2 . 11458 1 311 . 1 1 33 33 ARG HD3 H 1 3.132 0.03 . 2 . . . A 93 ARG HD3 . 11458 1 312 . 1 1 33 33 ARG C C 13 179.758 0.3 . 1 . . . A 93 ARG C . 11458 1 313 . 1 1 33 33 ARG CA C 13 60.502 0.3 . 1 . . . A 93 ARG CA . 11458 1 314 . 1 1 33 33 ARG CB C 13 29.689 0.3 . 1 . . . A 93 ARG CB . 11458 1 315 . 1 1 33 33 ARG CG C 13 29.762 0.3 . 1 . . . A 93 ARG CG . 11458 1 316 . 1 1 33 33 ARG CD C 13 43.018 0.3 . 1 . . . A 93 ARG CD . 11458 1 317 . 1 1 33 33 ARG N N 15 116.696 0.3 . 1 . . . A 93 ARG N . 11458 1 318 . 1 1 34 34 LYS H H 1 7.947 0.03 . 1 . . . A 94 LYS H . 11458 1 319 . 1 1 34 34 LYS HA H 1 4.07 0.03 . 1 . . . A 94 LYS HA . 11458 1 320 . 1 1 34 34 LYS HB2 H 1 1.904 0.03 . 2 . . . A 94 LYS HB2 . 11458 1 321 . 1 1 34 34 LYS HB3 H 1 1.973 0.03 . 2 . . . A 94 LYS HB3 . 11458 1 322 . 1 1 34 34 LYS HG2 H 1 1.495 0.03 . 2 . . . A 94 LYS HG2 . 11458 1 323 . 1 1 34 34 LYS HG3 H 1 1.467 0.03 . 2 . . . A 94 LYS HG3 . 11458 1 324 . 1 1 34 34 LYS HD2 H 1 1.657 0.03 . 1 . . . A 94 LYS HD2 . 11458 1 325 . 1 1 34 34 LYS HD3 H 1 1.657 0.03 . 1 . . . A 94 LYS HD3 . 11458 1 326 . 1 1 34 34 LYS HE2 H 1 2.912 0.03 . 1 . . . A 94 LYS HE2 . 11458 1 327 . 1 1 34 34 LYS HE3 H 1 2.912 0.03 . 1 . . . A 94 LYS HE3 . 11458 1 328 . 1 1 34 34 LYS C C 13 179.608 0.3 . 1 . . . A 94 LYS C . 11458 1 329 . 1 1 34 34 LYS CA C 13 58.941 0.3 . 1 . . . A 94 LYS CA . 11458 1 330 . 1 1 34 34 LYS CB C 13 31.87 0.3 . 1 . . . A 94 LYS CB . 11458 1 331 . 1 1 34 34 LYS CG C 13 24.835 0.3 . 1 . . . A 94 LYS CG . 11458 1 332 . 1 1 34 34 LYS CD C 13 28.62 0.3 . 1 . . . A 94 LYS CD . 11458 1 333 . 1 1 34 34 LYS CE C 13 42.113 0.3 . 1 . . . A 94 LYS CE . 11458 1 334 . 1 1 34 34 LYS N N 15 120.08 0.3 . 1 . . . A 94 LYS N . 11458 1 335 . 1 1 35 35 LEU H H 1 8.224 0.03 . 1 . . . A 95 LEU H . 11458 1 336 . 1 1 35 35 LEU HA H 1 3.998 0.03 . 1 . . . A 95 LEU HA . 11458 1 337 . 1 1 35 35 LEU HB2 H 1 1.444 0.03 . 2 . . . A 95 LEU HB2 . 11458 1 338 . 1 1 35 35 LEU HB3 H 1 1.94 0.03 . 2 . . . A 95 LEU HB3 . 11458 1 339 . 1 1 35 35 LEU HG H 1 1.681 0.03 . 1 . . . A 95 LEU HG . 11458 1 340 . 1 1 35 35 LEU HD11 H 1 0.777 0.03 . 1 . . . A 95 LEU HD11 . 11458 1 341 . 1 1 35 35 LEU HD12 H 1 0.777 0.03 . 1 . . . A 95 LEU HD12 . 11458 1 342 . 1 1 35 35 LEU HD13 H 1 0.777 0.03 . 1 . . . A 95 LEU HD13 . 11458 1 343 . 1 1 35 35 LEU HD21 H 1 0.76 0.03 . 1 . . . A 95 LEU HD21 . 11458 1 344 . 1 1 35 35 LEU HD22 H 1 0.76 0.03 . 1 . . . A 95 LEU HD22 . 11458 1 345 . 1 1 35 35 LEU HD23 H 1 0.76 0.03 . 1 . . . A 95 LEU HD23 . 11458 1 346 . 1 1 35 35 LEU C C 13 178.035 0.3 . 1 . . . A 95 LEU C . 11458 1 347 . 1 1 35 35 LEU CA C 13 57.517 0.3 . 1 . . . A 95 LEU CA . 11458 1 348 . 1 1 35 35 LEU CB C 13 42.179 0.3 . 1 . . . A 95 LEU CB . 11458 1 349 . 1 1 35 35 LEU CG C 13 26.274 0.3 . 1 . . . A 95 LEU CG . 11458 1 350 . 1 1 35 35 LEU CD1 C 13 24.41 0.3 . 2 . . . A 95 LEU CD1 . 11458 1 351 . 1 1 35 35 LEU CD2 C 13 23.586 0.3 . 2 . . . A 95 LEU CD2 . 11458 1 352 . 1 1 35 35 LEU N N 15 120.869 0.3 . 1 . . . A 95 LEU N . 11458 1 353 . 1 1 36 36 PHE H H 1 7.345 0.03 . 1 . . . A 96 PHE H . 11458 1 354 . 1 1 36 36 PHE HA H 1 4.645 0.03 . 1 . . . A 96 PHE HA . 11458 1 355 . 1 1 36 36 PHE HB2 H 1 2.702 0.03 . 2 . . . A 96 PHE HB2 . 11458 1 356 . 1 1 36 36 PHE HB3 H 1 3.506 0.03 . 2 . . . A 96 PHE HB3 . 11458 1 357 . 1 1 36 36 PHE HD1 H 1 7.463 0.03 . 1 . . . A 96 PHE HD1 . 11458 1 358 . 1 1 36 36 PHE HD2 H 1 7.463 0.03 . 1 . . . A 96 PHE HD2 . 11458 1 359 . 1 1 36 36 PHE HE1 H 1 6.905 0.03 . 1 . . . A 96 PHE HE1 . 11458 1 360 . 1 1 36 36 PHE HE2 H 1 6.905 0.03 . 1 . . . A 96 PHE HE2 . 11458 1 361 . 1 1 36 36 PHE HZ H 1 6.785 0.03 . 1 . . . A 96 PHE HZ . 11458 1 362 . 1 1 36 36 PHE C C 13 176.904 0.3 . 1 . . . A 96 PHE C . 11458 1 363 . 1 1 36 36 PHE CA C 13 58.445 0.3 . 1 . . . A 96 PHE CA . 11458 1 364 . 1 1 36 36 PHE CB C 13 39.982 0.3 . 1 . . . A 96 PHE CB . 11458 1 365 . 1 1 36 36 PHE CD1 C 13 132.185 0.3 . 1 . . . A 96 PHE CD1 . 11458 1 366 . 1 1 36 36 PHE CD2 C 13 132.185 0.3 . 1 . . . A 96 PHE CD2 . 11458 1 367 . 1 1 36 36 PHE CE1 C 13 130.81 0.3 . 1 . . . A 96 PHE CE1 . 11458 1 368 . 1 1 36 36 PHE CE2 C 13 130.81 0.3 . 1 . . . A 96 PHE CE2 . 11458 1 369 . 1 1 36 36 PHE CZ C 13 128.935 0.3 . 1 . . . A 96 PHE CZ . 11458 1 370 . 1 1 36 36 PHE N N 15 112.12 0.3 . 1 . . . A 96 PHE N . 11458 1 371 . 1 1 37 37 GLU H H 1 7.701 0.03 . 1 . . . A 97 GLU H . 11458 1 372 . 1 1 37 37 GLU HA H 1 4.185 0.03 . 1 . . . A 97 GLU HA . 11458 1 373 . 1 1 37 37 GLU HB2 H 1 2.104 0.03 . 2 . . . A 97 GLU HB2 . 11458 1 374 . 1 1 37 37 GLU HB3 H 1 2.281 0.03 . 2 . . . A 97 GLU HB3 . 11458 1 375 . 1 1 37 37 GLU HG2 H 1 2.405 0.03 . 2 . . . A 97 GLU HG2 . 11458 1 376 . 1 1 37 37 GLU HG3 H 1 2.249 0.03 . 2 . . . A 97 GLU HG3 . 11458 1 377 . 1 1 37 37 GLU C C 13 177.401 0.3 . 1 . . . A 97 GLU C . 11458 1 378 . 1 1 37 37 GLU CA C 13 59.686 0.3 . 1 . . . A 97 GLU CA . 11458 1 379 . 1 1 37 37 GLU CB C 13 29.473 0.3 . 1 . . . A 97 GLU CB . 11458 1 380 . 1 1 37 37 GLU CG C 13 35.86 0.3 . 1 . . . A 97 GLU CG . 11458 1 381 . 1 1 37 37 GLU N N 15 124.134 0.3 . 1 . . . A 97 GLU N . 11458 1 382 . 1 1 38 38 LYS H H 1 8.212 0.03 . 1 . . . A 101 LYS H . 11458 1 383 . 1 1 38 38 LYS HA H 1 3.919 0.03 . 1 . . . A 101 LYS HA . 11458 1 384 . 1 1 38 38 LYS HB2 H 1 0.885 0.03 . 2 . . . A 101 LYS HB2 . 11458 1 385 . 1 1 38 38 LYS HB3 H 1 1.318 0.03 . 2 . . . A 101 LYS HB3 . 11458 1 386 . 1 1 38 38 LYS HG2 H 1 0.848 0.03 . 2 . . . A 101 LYS HG2 . 11458 1 387 . 1 1 38 38 LYS HG3 H 1 0.78 0.03 . 2 . . . A 101 LYS HG3 . 11458 1 388 . 1 1 38 38 LYS HD2 H 1 1.446 0.03 . 2 . . . A 101 LYS HD2 . 11458 1 389 . 1 1 38 38 LYS HD3 H 1 1.392 0.03 . 2 . . . A 101 LYS HD3 . 11458 1 390 . 1 1 38 38 LYS HE2 H 1 2.828 0.03 . 2 . . . A 101 LYS HE2 . 11458 1 391 . 1 1 38 38 LYS HE3 H 1 2.766 0.03 . 2 . . . A 101 LYS HE3 . 11458 1 392 . 1 1 38 38 LYS C C 13 176.553 0.3 . 1 . . . A 101 LYS C . 11458 1 393 . 1 1 38 38 LYS CA C 13 57.767 0.3 . 1 . . . A 101 LYS CA . 11458 1 394 . 1 1 38 38 LYS CB C 13 31.688 0.3 . 1 . . . A 101 LYS CB . 11458 1 395 . 1 1 38 38 LYS CG C 13 24.186 0.3 . 1 . . . A 101 LYS CG . 11458 1 396 . 1 1 38 38 LYS CD C 13 29.122 0.3 . 1 . . . A 101 LYS CD . 11458 1 397 . 1 1 38 38 LYS CE C 13 41.686 0.3 . 1 . . . A 101 LYS CE . 11458 1 398 . 1 1 38 38 LYS N N 15 118.238 0.3 . 1 . . . A 101 LYS N . 11458 1 399 . 1 1 39 39 TYR H H 1 7.641 0.03 . 1 . . . A 99 TYR H . 11458 1 400 . 1 1 39 39 TYR HA H 1 4.577 0.03 . 1 . . . A 99 TYR HA . 11458 1 401 . 1 1 39 39 TYR HB2 H 1 2.884 0.03 . 2 . . . A 99 TYR HB2 . 11458 1 402 . 1 1 39 39 TYR HB3 H 1 3.443 0.03 . 2 . . . A 99 TYR HB3 . 11458 1 403 . 1 1 39 39 TYR HD1 H 1 7.075 0.03 . 1 . . . A 99 TYR HD1 . 11458 1 404 . 1 1 39 39 TYR HD2 H 1 7.075 0.03 . 1 . . . A 99 TYR HD2 . 11458 1 405 . 1 1 39 39 TYR HE1 H 1 6.62 0.03 . 1 . . . A 99 TYR HE1 . 11458 1 406 . 1 1 39 39 TYR HE2 H 1 6.62 0.03 . 1 . . . A 99 TYR HE2 . 11458 1 407 . 1 1 39 39 TYR C C 13 174.582 0.3 . 1 . . . A 99 TYR C . 11458 1 408 . 1 1 39 39 TYR CA C 13 56.684 0.3 . 1 . . . A 99 TYR CA . 11458 1 409 . 1 1 39 39 TYR CB C 13 38.098 0.3 . 1 . . . A 99 TYR CB . 11458 1 410 . 1 1 39 39 TYR CD1 C 13 132.81 0.3 . 1 . . . A 99 TYR CD1 . 11458 1 411 . 1 1 39 39 TYR CD2 C 13 132.81 0.3 . 1 . . . A 99 TYR CD2 . 11458 1 412 . 1 1 39 39 TYR CE1 C 13 117.935 0.3 . 1 . . . A 99 TYR CE1 . 11458 1 413 . 1 1 39 39 TYR CE2 C 13 117.935 0.3 . 1 . . . A 99 TYR CE2 . 11458 1 414 . 1 1 39 39 TYR N N 15 117.805 0.3 . 1 . . . A 99 TYR N . 11458 1 415 . 1 1 40 40 GLY H H 1 7.461 0.03 . 1 . . . A 103 GLY H . 11458 1 416 . 1 1 40 40 GLY HA2 H 1 3.749 0.03 . 2 . . . A 103 GLY HA2 . 11458 1 417 . 1 1 40 40 GLY HA3 H 1 4.324 0.03 . 2 . . . A 103 GLY HA3 . 11458 1 418 . 1 1 40 40 GLY C C 13 172.956 0.3 . 1 . . . A 103 GLY C . 11458 1 419 . 1 1 40 40 GLY CA C 13 44.546 0.3 . 1 . . . A 103 GLY CA . 11458 1 420 . 1 1 40 40 GLY N N 15 105.937 0.3 . 1 . . . A 103 GLY N . 11458 1 421 . 1 1 41 41 LYS H H 1 8.482 0.03 . 1 . . . A 101 LYS H . 11458 1 422 . 1 1 41 41 LYS HA H 1 4.203 0.03 . 1 . . . A 101 LYS HA . 11458 1 423 . 1 1 41 41 LYS HB2 H 1 1.77 0.03 . 1 . . . A 101 LYS HB2 . 11458 1 424 . 1 1 41 41 LYS HB3 H 1 1.77 0.03 . 1 . . . A 101 LYS HB3 . 11458 1 425 . 1 1 41 41 LYS HG2 H 1 1.467 0.03 . 2 . . . A 101 LYS HG2 . 11458 1 426 . 1 1 41 41 LYS HG3 H 1 1.392 0.03 . 2 . . . A 101 LYS HG3 . 11458 1 427 . 1 1 41 41 LYS HD2 H 1 1.671 0.03 . 1 . . . A 101 LYS HD2 . 11458 1 428 . 1 1 41 41 LYS HD3 H 1 1.671 0.03 . 1 . . . A 101 LYS HD3 . 11458 1 429 . 1 1 41 41 LYS HE2 H 1 2.948 0.03 . 1 . . . A 101 LYS HE2 . 11458 1 430 . 1 1 41 41 LYS HE3 H 1 2.948 0.03 . 1 . . . A 101 LYS HE3 . 11458 1 431 . 1 1 41 41 LYS C C 13 176.45 0.3 . 1 . . . A 101 LYS C . 11458 1 432 . 1 1 41 41 LYS CA C 13 56.657 0.3 . 1 . . . A 101 LYS CA . 11458 1 433 . 1 1 41 41 LYS CB C 13 33.061 0.3 . 1 . . . A 101 LYS CB . 11458 1 434 . 1 1 41 41 LYS CG C 13 24.811 0.3 . 1 . . . A 101 LYS CG . 11458 1 435 . 1 1 41 41 LYS CD C 13 29.196 0.3 . 1 . . . A 101 LYS CD . 11458 1 436 . 1 1 41 41 LYS CE C 13 42.113 0.3 . 1 . . . A 101 LYS CE . 11458 1 437 . 1 1 41 41 LYS N N 15 120.883 0.3 . 1 . . . A 101 LYS N . 11458 1 438 . 1 1 42 42 ALA H H 1 8.558 0.03 . 1 . . . A 102 ALA H . 11458 1 439 . 1 1 42 42 ALA HA H 1 4.867 0.03 . 1 . . . A 102 ALA HA . 11458 1 440 . 1 1 42 42 ALA HB1 H 1 1.261 0.03 . 1 . . . A 102 ALA HB1 . 11458 1 441 . 1 1 42 42 ALA HB2 H 1 1.261 0.03 . 1 . . . A 102 ALA HB2 . 11458 1 442 . 1 1 42 42 ALA HB3 H 1 1.261 0.03 . 1 . . . A 102 ALA HB3 . 11458 1 443 . 1 1 42 42 ALA C C 13 177.895 0.3 . 1 . . . A 102 ALA C . 11458 1 444 . 1 1 42 42 ALA CA C 13 50.886 0.3 . 1 . . . A 102 ALA CA . 11458 1 445 . 1 1 42 42 ALA CB C 13 20.072 0.3 . 1 . . . A 102 ALA CB . 11458 1 446 . 1 1 42 42 ALA N N 15 126.807 0.3 . 1 . . . A 102 ALA N . 11458 1 447 . 1 1 43 43 GLY H H 1 8.637 0.03 . 1 . . . A 103 GLY H . 11458 1 448 . 1 1 43 43 GLY HA2 H 1 3.367 0.03 . 2 . . . A 103 GLY HA2 . 11458 1 449 . 1 1 43 43 GLY HA3 H 1 4.097 0.03 . 2 . . . A 103 GLY HA3 . 11458 1 450 . 1 1 43 43 GLY C C 13 172.556 0.3 . 1 . . . A 103 GLY C . 11458 1 451 . 1 1 43 43 GLY CA C 13 44.746 0.3 . 1 . . . A 103 GLY CA . 11458 1 452 . 1 1 43 43 GLY N N 15 110.882 0.3 . 1 . . . A 103 GLY N . 11458 1 453 . 1 1 44 44 GLU H H 1 7.897 0.03 . 1 . . . A 104 GLU H . 11458 1 454 . 1 1 44 44 GLU HA H 1 4.106 0.03 . 1 . . . A 104 GLU HA . 11458 1 455 . 1 1 44 44 GLU HB2 H 1 1.908 0.03 . 1 . . . A 104 GLU HB2 . 11458 1 456 . 1 1 44 44 GLU HB3 H 1 1.908 0.03 . 1 . . . A 104 GLU HB3 . 11458 1 457 . 1 1 44 44 GLU HG2 H 1 2.188 0.03 . 2 . . . A 104 GLU HG2 . 11458 1 458 . 1 1 44 44 GLU HG3 H 1 2.019 0.03 . 2 . . . A 104 GLU HG3 . 11458 1 459 . 1 1 44 44 GLU C C 13 174.748 0.3 . 1 . . . A 104 GLU C . 11458 1 460 . 1 1 44 44 GLU CA C 13 56.512 0.3 . 1 . . . A 104 GLU CA . 11458 1 461 . 1 1 44 44 GLU CB C 13 31.253 0.3 . 1 . . . A 104 GLU CB . 11458 1 462 . 1 1 44 44 GLU CG C 13 35.86 0.3 . 1 . . . A 104 GLU CG . 11458 1 463 . 1 1 44 44 GLU N N 15 121.218 0.3 . 1 . . . A 104 GLU N . 11458 1 464 . 1 1 45 45 VAL H H 1 8.195 0.03 . 1 . . . A 105 VAL H . 11458 1 465 . 1 1 45 45 VAL HA H 1 4.573 0.03 . 1 . . . A 105 VAL HA . 11458 1 466 . 1 1 45 45 VAL HB H 1 1.824 0.03 . 1 . . . A 105 VAL HB . 11458 1 467 . 1 1 45 45 VAL HG11 H 1 0.795 0.03 . 1 . . . A 105 VAL HG11 . 11458 1 468 . 1 1 45 45 VAL HG12 H 1 0.795 0.03 . 1 . . . A 105 VAL HG12 . 11458 1 469 . 1 1 45 45 VAL HG13 H 1 0.795 0.03 . 1 . . . A 105 VAL HG13 . 11458 1 470 . 1 1 45 45 VAL HG21 H 1 0.795 0.03 . 1 . . . A 105 VAL HG21 . 11458 1 471 . 1 1 45 45 VAL HG22 H 1 0.795 0.03 . 1 . . . A 105 VAL HG22 . 11458 1 472 . 1 1 45 45 VAL HG23 H 1 0.795 0.03 . 1 . . . A 105 VAL HG23 . 11458 1 473 . 1 1 45 45 VAL C C 13 174.521 0.3 . 1 . . . A 105 VAL C . 11458 1 474 . 1 1 45 45 VAL CA C 13 61.804 0.3 . 1 . . . A 105 VAL CA . 11458 1 475 . 1 1 45 45 VAL CB C 13 34.429 0.3 . 1 . . . A 105 VAL CB . 11458 1 476 . 1 1 45 45 VAL CG1 C 13 21.682 0.3 . 2 . . . A 105 VAL CG1 . 11458 1 477 . 1 1 45 45 VAL CG2 C 13 21.682 0.3 . 2 . . . A 105 VAL CG2 . 11458 1 478 . 1 1 45 45 VAL N N 15 123.299 0.3 . 1 . . . A 105 VAL N . 11458 1 479 . 1 1 46 46 PHE H H 1 8.795 0.03 . 1 . . . A 106 PHE H . 11458 1 480 . 1 1 46 46 PHE HA H 1 4.801 0.03 . 1 . . . A 106 PHE HA . 11458 1 481 . 1 1 46 46 PHE HB2 H 1 2.859 0.03 . 2 . . . A 106 PHE HB2 . 11458 1 482 . 1 1 46 46 PHE HB3 H 1 3.049 0.03 . 2 . . . A 106 PHE HB3 . 11458 1 483 . 1 1 46 46 PHE HD1 H 1 7.134 0.03 . 1 . . . A 106 PHE HD1 . 11458 1 484 . 1 1 46 46 PHE HD2 H 1 7.134 0.03 . 1 . . . A 106 PHE HD2 . 11458 1 485 . 1 1 46 46 PHE C C 13 173.635 0.3 . 1 . . . A 106 PHE C . 11458 1 486 . 1 1 46 46 PHE CA C 13 56.841 0.3 . 1 . . . A 106 PHE CA . 11458 1 487 . 1 1 46 46 PHE CB C 13 42.68 0.3 . 1 . . . A 106 PHE CB . 11458 1 488 . 1 1 46 46 PHE CD1 C 13 131.435 0.3 . 1 . . . A 106 PHE CD1 . 11458 1 489 . 1 1 46 46 PHE CD2 C 13 131.435 0.3 . 1 . . . A 106 PHE CD2 . 11458 1 490 . 1 1 46 46 PHE N N 15 127.631 0.3 . 1 . . . A 106 PHE N . 11458 1 491 . 1 1 47 47 ILE H H 1 8.242 0.03 . 1 . . . A 107 ILE H . 11458 1 492 . 1 1 47 47 ILE HA H 1 4.007 0.03 . 1 . . . A 107 ILE HA . 11458 1 493 . 1 1 47 47 ILE HB H 1 1.375 0.03 . 1 . . . A 107 ILE HB . 11458 1 494 . 1 1 47 47 ILE HG12 H 1 0.618 0.03 . 2 . . . A 107 ILE HG12 . 11458 1 495 . 1 1 47 47 ILE HG13 H 1 1.255 0.03 . 2 . . . A 107 ILE HG13 . 11458 1 496 . 1 1 47 47 ILE HG21 H 1 0.439 0.03 . 1 . . . A 107 ILE HG21 . 11458 1 497 . 1 1 47 47 ILE HG22 H 1 0.439 0.03 . 1 . . . A 107 ILE HG22 . 11458 1 498 . 1 1 47 47 ILE HG23 H 1 0.439 0.03 . 1 . . . A 107 ILE HG23 . 11458 1 499 . 1 1 47 47 ILE HD11 H 1 0.505 0.03 . 1 . . . A 107 ILE HD11 . 11458 1 500 . 1 1 47 47 ILE HD12 H 1 0.505 0.03 . 1 . . . A 107 ILE HD12 . 11458 1 501 . 1 1 47 47 ILE HD13 H 1 0.505 0.03 . 1 . . . A 107 ILE HD13 . 11458 1 502 . 1 1 47 47 ILE C C 13 173.887 0.3 . 1 . . . A 107 ILE C . 11458 1 503 . 1 1 47 47 ILE CA C 13 60.243 0.3 . 1 . . . A 107 ILE CA . 11458 1 504 . 1 1 47 47 ILE CB C 13 40.55 0.3 . 1 . . . A 107 ILE CB . 11458 1 505 . 1 1 47 47 ILE CG1 C 13 27.457 0.3 . 1 . . . A 107 ILE CG1 . 11458 1 506 . 1 1 47 47 ILE CG2 C 13 17.223 0.3 . 1 . . . A 107 ILE CG2 . 11458 1 507 . 1 1 47 47 ILE CD1 C 13 13.452 0.3 . 1 . . . A 107 ILE CD1 . 11458 1 508 . 1 1 47 47 ILE N N 15 125.164 0.3 . 1 . . . A 107 ILE N . 11458 1 509 . 1 1 48 48 HIS H H 1 8.624 0.03 . 1 . . . A 108 HIS H . 11458 1 510 . 1 1 48 48 HIS HA H 1 4.569 0.03 . 1 . . . A 108 HIS HA . 11458 1 511 . 1 1 48 48 HIS HB2 H 1 3.094 0.03 . 2 . . . A 108 HIS HB2 . 11458 1 512 . 1 1 48 48 HIS HB3 H 1 3.027 0.03 . 2 . . . A 108 HIS HB3 . 11458 1 513 . 1 1 48 48 HIS HD2 H 1 6.925 0.03 . 1 . . . A 108 HIS HD2 . 11458 1 514 . 1 1 48 48 HIS HE1 H 1 7.848 0.03 . 1 . . . A 108 HIS HE1 . 11458 1 515 . 1 1 48 48 HIS CA C 13 56.561 0.3 . 1 . . . A 108 HIS CA . 11458 1 516 . 1 1 48 48 HIS CB C 13 31.189 0.3 . 1 . . . A 108 HIS CB . 11458 1 517 . 1 1 48 48 HIS CD2 C 13 119.81 0.3 . 1 . . . A 108 HIS CD2 . 11458 1 518 . 1 1 48 48 HIS CE1 C 13 138.81 0.3 . 1 . . . A 108 HIS CE1 . 11458 1 519 . 1 1 49 49 LYS H H 1 8.176 0.03 . 1 . . . A 109 LYS H . 11458 1 520 . 1 1 49 49 LYS HA H 1 3.722 0.03 . 1 . . . A 109 LYS HA . 11458 1 521 . 1 1 49 49 LYS HB2 H 1 1.709 0.03 . 1 . . . A 109 LYS HB2 . 11458 1 522 . 1 1 49 49 LYS HB3 H 1 1.709 0.03 . 1 . . . A 109 LYS HB3 . 11458 1 523 . 1 1 49 49 LYS HG2 H 1 1.319 0.03 . 2 . . . A 109 LYS HG2 . 11458 1 524 . 1 1 49 49 LYS HG3 H 1 1.229 0.03 . 2 . . . A 109 LYS HG3 . 11458 1 525 . 1 1 49 49 LYS HD2 H 1 1.634 0.03 . 2 . . . A 109 LYS HD2 . 11458 1 526 . 1 1 49 49 LYS HD3 H 1 1.706 0.03 . 2 . . . A 109 LYS HD3 . 11458 1 527 . 1 1 49 49 LYS HE2 H 1 2.966 0.03 . 1 . . . A 109 LYS HE2 . 11458 1 528 . 1 1 49 49 LYS HE3 H 1 2.966 0.03 . 1 . . . A 109 LYS HE3 . 11458 1 529 . 1 1 49 49 LYS CA C 13 59.544 0.3 . 1 . . . A 109 LYS CA . 11458 1 530 . 1 1 49 49 LYS CB C 13 32.186 0.3 . 1 . . . A 109 LYS CB . 11458 1 531 . 1 1 49 49 LYS CG C 13 24.61 0.3 . 1 . . . A 109 LYS CG . 11458 1 532 . 1 1 49 49 LYS CD C 13 29.227 0.3 . 1 . . . A 109 LYS CD . 11458 1 533 . 1 1 49 49 LYS CE C 13 42.084 0.3 . 1 . . . A 109 LYS CE . 11458 1 534 . 1 1 50 50 ASP H H 1 7.849 0.03 . 1 . . . A 110 ASP H . 11458 1 535 . 1 1 50 50 ASP HA H 1 4.546 0.03 . 1 . . . A 110 ASP HA . 11458 1 536 . 1 1 50 50 ASP HB2 H 1 2.767 0.03 . 1 . . . A 110 ASP HB2 . 11458 1 537 . 1 1 50 50 ASP HB3 H 1 2.767 0.03 . 1 . . . A 110 ASP HB3 . 11458 1 538 . 1 1 50 50 ASP CA C 13 55.561 0.3 . 1 . . . A 110 ASP CA . 11458 1 539 . 1 1 50 50 ASP CB C 13 40.417 0.3 . 1 . . . A 110 ASP CB . 11458 1 540 . 1 1 51 51 LYS HA H 1 4.291 0.03 . 1 . . . A 111 LYS HA . 11458 1 541 . 1 1 51 51 LYS HB2 H 1 1.988 0.03 . 1 . . . A 111 LYS HB2 . 11458 1 542 . 1 1 51 51 LYS HB3 H 1 1.988 0.03 . 1 . . . A 111 LYS HB3 . 11458 1 543 . 1 1 51 51 LYS HG2 H 1 1.299 0.03 . 2 . . . A 111 LYS HG2 . 11458 1 544 . 1 1 51 51 LYS HG3 H 1 1.244 0.03 . 2 . . . A 111 LYS HG3 . 11458 1 545 . 1 1 51 51 LYS HE2 H 1 2.96 0.03 . 1 . . . A 111 LYS HE2 . 11458 1 546 . 1 1 51 51 LYS HE3 H 1 2.96 0.03 . 1 . . . A 111 LYS HE3 . 11458 1 547 . 1 1 51 51 LYS CG C 13 25.061 0.3 . 1 . . . A 111 LYS CG . 11458 1 548 . 1 1 52 52 GLY H H 1 8.007 0.03 . 1 . . . A 112 GLY H . 11458 1 549 . 1 1 52 52 GLY HA2 H 1 3.994 0.03 . 1 . . . A 112 GLY HA2 . 11458 1 550 . 1 1 52 52 GLY HA3 H 1 3.994 0.03 . 1 . . . A 112 GLY HA3 . 11458 1 551 . 1 1 52 52 GLY C C 13 173.519 0.3 . 1 . . . A 112 GLY C . 11458 1 552 . 1 1 52 52 GLY CA C 13 47.05 0.3 . 1 . . . A 112 GLY CA . 11458 1 553 . 1 1 53 53 PHE H H 1 7.114 0.03 . 1 . . . A 113 PHE H . 11458 1 554 . 1 1 53 53 PHE HA H 1 5.464 0.03 . 1 . . . A 113 PHE HA . 11458 1 555 . 1 1 53 53 PHE HB2 H 1 2.61 0.03 . 2 . . . A 113 PHE HB2 . 11458 1 556 . 1 1 53 53 PHE HB3 H 1 2.959 0.03 . 2 . . . A 113 PHE HB3 . 11458 1 557 . 1 1 53 53 PHE HD1 H 1 6.777 0.03 . 1 . . . A 113 PHE HD1 . 11458 1 558 . 1 1 53 53 PHE HD2 H 1 6.777 0.03 . 1 . . . A 113 PHE HD2 . 11458 1 559 . 1 1 53 53 PHE HE1 H 1 6.645 0.03 . 1 . . . A 113 PHE HE1 . 11458 1 560 . 1 1 53 53 PHE HE2 H 1 6.645 0.03 . 1 . . . A 113 PHE HE2 . 11458 1 561 . 1 1 53 53 PHE HZ H 1 6.958 0.03 . 1 . . . A 113 PHE HZ . 11458 1 562 . 1 1 53 53 PHE C C 13 172.516 0.3 . 1 . . . A 113 PHE C . 11458 1 563 . 1 1 53 53 PHE CA C 13 54.813 0.3 . 1 . . . A 113 PHE CA . 11458 1 564 . 1 1 53 53 PHE CB C 13 42.73 0.3 . 1 . . . A 113 PHE CB . 11458 1 565 . 1 1 53 53 PHE CD1 C 13 132.435 0.3 . 1 . . . A 113 PHE CD1 . 11458 1 566 . 1 1 53 53 PHE CD2 C 13 132.435 0.3 . 1 . . . A 113 PHE CD2 . 11458 1 567 . 1 1 53 53 PHE CE1 C 13 130.935 0.3 . 1 . . . A 113 PHE CE1 . 11458 1 568 . 1 1 53 53 PHE CE2 C 13 130.935 0.3 . 1 . . . A 113 PHE CE2 . 11458 1 569 . 1 1 53 53 PHE CZ C 13 129.185 0.3 . 1 . . . A 113 PHE CZ . 11458 1 570 . 1 1 53 53 PHE N N 15 112.769 0.3 . 1 . . . A 113 PHE N . 11458 1 571 . 1 1 54 54 GLY H H 1 8.81 0.03 . 1 . . . A 114 GLY H . 11458 1 572 . 1 1 54 54 GLY HA2 H 1 3.751 0.03 . 2 . . . A 114 GLY HA2 . 11458 1 573 . 1 1 54 54 GLY HA3 H 1 4.328 0.03 . 2 . . . A 114 GLY HA3 . 11458 1 574 . 1 1 54 54 GLY C C 13 169.762 0.3 . 1 . . . A 114 GLY C . 11458 1 575 . 1 1 54 54 GLY CA C 13 45.214 0.3 . 1 . . . A 114 GLY CA . 11458 1 576 . 1 1 54 54 GLY N N 15 107.289 0.3 . 1 . . . A 114 GLY N . 11458 1 577 . 1 1 55 55 PHE H H 1 9.167 0.03 . 1 . . . A 115 PHE H . 11458 1 578 . 1 1 55 55 PHE HA H 1 5.941 0.03 . 1 . . . A 115 PHE HA . 11458 1 579 . 1 1 55 55 PHE HB2 H 1 2.731 0.03 . 2 . . . A 115 PHE HB2 . 11458 1 580 . 1 1 55 55 PHE HB3 H 1 2.961 0.03 . 2 . . . A 115 PHE HB3 . 11458 1 581 . 1 1 55 55 PHE HD1 H 1 7.211 0.03 . 1 . . . A 115 PHE HD1 . 11458 1 582 . 1 1 55 55 PHE HD2 H 1 7.211 0.03 . 1 . . . A 115 PHE HD2 . 11458 1 583 . 1 1 55 55 PHE HE1 H 1 7.511 0.03 . 1 . . . A 115 PHE HE1 . 11458 1 584 . 1 1 55 55 PHE HE2 H 1 7.511 0.03 . 1 . . . A 115 PHE HE2 . 11458 1 585 . 1 1 55 55 PHE HZ H 1 7.398 0.03 . 1 . . . A 115 PHE HZ . 11458 1 586 . 1 1 55 55 PHE C C 13 174.45 0.3 . 1 . . . A 115 PHE C . 11458 1 587 . 1 1 55 55 PHE CA C 13 55.822 0.3 . 1 . . . A 115 PHE CA . 11458 1 588 . 1 1 55 55 PHE CB C 13 44.788 0.3 . 1 . . . A 115 PHE CB . 11458 1 589 . 1 1 55 55 PHE CD1 C 13 132.06 0.3 . 1 . . . A 115 PHE CD1 . 11458 1 590 . 1 1 55 55 PHE CD2 C 13 132.06 0.3 . 1 . . . A 115 PHE CD2 . 11458 1 591 . 1 1 55 55 PHE CE1 C 13 131.185 0.3 . 1 . . . A 115 PHE CE1 . 11458 1 592 . 1 1 55 55 PHE CE2 C 13 131.185 0.3 . 1 . . . A 115 PHE CE2 . 11458 1 593 . 1 1 55 55 PHE CZ C 13 129.706 0.3 . 1 . . . A 115 PHE CZ . 11458 1 594 . 1 1 55 55 PHE N N 15 114.7 0.3 . 1 . . . A 115 PHE N . 11458 1 595 . 1 1 56 56 ILE H H 1 8.675 0.03 . 1 . . . A 116 ILE H . 11458 1 596 . 1 1 56 56 ILE HA H 1 4.939 0.03 . 1 . . . A 116 ILE HA . 11458 1 597 . 1 1 56 56 ILE HB H 1 1.239 0.03 . 1 . . . A 116 ILE HB . 11458 1 598 . 1 1 56 56 ILE HG12 H 1 0.5 0.03 . 2 . . . A 116 ILE HG12 . 11458 1 599 . 1 1 56 56 ILE HG13 H 1 1.333 0.03 . 2 . . . A 116 ILE HG13 . 11458 1 600 . 1 1 56 56 ILE HG21 H 1 -0.038 0.03 . 1 . . . A 116 ILE HG21 . 11458 1 601 . 1 1 56 56 ILE HG22 H 1 -0.038 0.03 . 1 . . . A 116 ILE HG22 . 11458 1 602 . 1 1 56 56 ILE HG23 H 1 -0.038 0.03 . 1 . . . A 116 ILE HG23 . 11458 1 603 . 1 1 56 56 ILE HD11 H 1 0.296 0.03 . 1 . . . A 116 ILE HD11 . 11458 1 604 . 1 1 56 56 ILE HD12 H 1 0.296 0.03 . 1 . . . A 116 ILE HD12 . 11458 1 605 . 1 1 56 56 ILE HD13 H 1 0.296 0.03 . 1 . . . A 116 ILE HD13 . 11458 1 606 . 1 1 56 56 ILE C C 13 172.517 0.3 . 1 . . . A 116 ILE C . 11458 1 607 . 1 1 56 56 ILE CA C 13 58.804 0.3 . 1 . . . A 116 ILE CA . 11458 1 608 . 1 1 56 56 ILE CB C 13 41.688 0.3 . 1 . . . A 116 ILE CB . 11458 1 609 . 1 1 56 56 ILE CG1 C 13 28.418 0.3 . 1 . . . A 116 ILE CG1 . 11458 1 610 . 1 1 56 56 ILE CG2 C 13 14.354 0.3 . 1 . . . A 116 ILE CG2 . 11458 1 611 . 1 1 56 56 ILE CD1 C 13 14.198 0.3 . 1 . . . A 116 ILE CD1 . 11458 1 612 . 1 1 56 56 ILE N N 15 117.453 0.3 . 1 . . . A 116 ILE N . 11458 1 613 . 1 1 57 57 ARG H H 1 8.155 0.03 . 1 . . . A 117 ARG H . 11458 1 614 . 1 1 57 57 ARG HA H 1 4.945 0.03 . 1 . . . A 117 ARG HA . 11458 1 615 . 1 1 57 57 ARG HB2 H 1 1.778 0.03 . 2 . . . A 117 ARG HB2 . 11458 1 616 . 1 1 57 57 ARG HB3 H 1 1.65 0.03 . 2 . . . A 117 ARG HB3 . 11458 1 617 . 1 1 57 57 ARG HG2 H 1 1.526 0.03 . 1 . . . A 117 ARG HG2 . 11458 1 618 . 1 1 57 57 ARG HG3 H 1 1.526 0.03 . 1 . . . A 117 ARG HG3 . 11458 1 619 . 1 1 57 57 ARG HD2 H 1 3.127 0.03 . 2 . . . A 117 ARG HD2 . 11458 1 620 . 1 1 57 57 ARG HD3 H 1 3.07 0.03 . 2 . . . A 117 ARG HD3 . 11458 1 621 . 1 1 57 57 ARG HE H 1 7.306 0.03 . 1 . . . A 117 ARG HE . 11458 1 622 . 1 1 57 57 ARG C C 13 175.01 0.3 . 1 . . . A 117 ARG C . 11458 1 623 . 1 1 57 57 ARG CA C 13 55.128 0.3 . 1 . . . A 117 ARG CA . 11458 1 624 . 1 1 57 57 ARG CB C 13 33.177 0.3 . 1 . . . A 117 ARG CB . 11458 1 625 . 1 1 57 57 ARG CG C 13 27.811 0.3 . 1 . . . A 117 ARG CG . 11458 1 626 . 1 1 57 57 ARG CD C 13 43.438 0.3 . 1 . . . A 117 ARG CD . 11458 1 627 . 1 1 57 57 ARG N N 15 126.425 0.3 . 1 . . . A 117 ARG N . 11458 1 628 . 1 1 58 58 LEU H H 1 7.986 0.03 . 1 . . . A 118 LEU H . 11458 1 629 . 1 1 58 58 LEU HA H 1 4.994 0.03 . 1 . . . A 118 LEU HA . 11458 1 630 . 1 1 58 58 LEU HB2 H 1 1.629 0.03 . 2 . . . A 118 LEU HB2 . 11458 1 631 . 1 1 58 58 LEU HB3 H 1 1.915 0.03 . 2 . . . A 118 LEU HB3 . 11458 1 632 . 1 1 58 58 LEU HG H 1 1.566 0.03 . 1 . . . A 118 LEU HG . 11458 1 633 . 1 1 58 58 LEU HD11 H 1 0.82 0.03 . 1 . . . A 118 LEU HD11 . 11458 1 634 . 1 1 58 58 LEU HD12 H 1 0.82 0.03 . 1 . . . A 118 LEU HD12 . 11458 1 635 . 1 1 58 58 LEU HD13 H 1 0.82 0.03 . 1 . . . A 118 LEU HD13 . 11458 1 636 . 1 1 58 58 LEU HD21 H 1 0.875 0.03 . 1 . . . A 118 LEU HD21 . 11458 1 637 . 1 1 58 58 LEU HD22 H 1 0.875 0.03 . 1 . . . A 118 LEU HD22 . 11458 1 638 . 1 1 58 58 LEU HD23 H 1 0.875 0.03 . 1 . . . A 118 LEU HD23 . 11458 1 639 . 1 1 58 58 LEU C C 13 178.409 0.3 . 1 . . . A 118 LEU C . 11458 1 640 . 1 1 58 58 LEU CA C 13 53.468 0.3 . 1 . . . A 118 LEU CA . 11458 1 641 . 1 1 58 58 LEU CB C 13 43.304 0.3 . 1 . . . A 118 LEU CB . 11458 1 642 . 1 1 58 58 LEU CG C 13 28.061 0.3 . 1 . . . A 118 LEU CG . 11458 1 643 . 1 1 58 58 LEU CD1 C 13 26.024 0.3 . 2 . . . A 118 LEU CD1 . 11458 1 644 . 1 1 58 58 LEU CD2 C 13 23.177 0.3 . 2 . . . A 118 LEU CD2 . 11458 1 645 . 1 1 58 58 LEU N N 15 125.453 0.3 . 1 . . . A 118 LEU N . 11458 1 646 . 1 1 59 59 GLU H H 1 9.338 0.03 . 1 . . . A 119 GLU H . 11458 1 647 . 1 1 59 59 GLU HA H 1 3.008 0.03 . 1 . . . A 119 GLU HA . 11458 1 648 . 1 1 59 59 GLU HB2 H 1 2.016 0.03 . 1 . . . A 119 GLU HB2 . 11458 1 649 . 1 1 59 59 GLU HB3 H 1 2.016 0.03 . 1 . . . A 119 GLU HB3 . 11458 1 650 . 1 1 59 59 GLU HG2 H 1 2.22 0.03 . 2 . . . A 119 GLU HG2 . 11458 1 651 . 1 1 59 59 GLU HG3 H 1 2.14 0.03 . 2 . . . A 119 GLU HG3 . 11458 1 652 . 1 1 59 59 GLU C C 13 176.903 0.3 . 1 . . . A 119 GLU C . 11458 1 653 . 1 1 59 59 GLU CA C 13 60.337 0.3 . 1 . . . A 119 GLU CA . 11458 1 654 . 1 1 59 59 GLU CB C 13 31.266 0.3 . 1 . . . A 119 GLU CB . 11458 1 655 . 1 1 59 59 GLU CG C 13 36.848 0.3 . 1 . . . A 119 GLU CG . 11458 1 656 . 1 1 59 59 GLU N N 15 120.08 0.3 . 1 . . . A 119 GLU N . 11458 1 657 . 1 1 60 60 THR H H 1 6.854 0.03 . 1 . . . A 120 THR H . 11458 1 658 . 1 1 60 60 THR HA H 1 4.817 0.03 . 1 . . . A 120 THR HA . 11458 1 659 . 1 1 60 60 THR HB H 1 4.621 0.03 . 1 . . . A 120 THR HB . 11458 1 660 . 1 1 60 60 THR HG21 H 1 1.196 0.03 . 1 . . . A 120 THR HG21 . 11458 1 661 . 1 1 60 60 THR HG22 H 1 1.196 0.03 . 1 . . . A 120 THR HG22 . 11458 1 662 . 1 1 60 60 THR HG23 H 1 1.196 0.03 . 1 . . . A 120 THR HG23 . 11458 1 663 . 1 1 60 60 THR C C 13 174.49 0.3 . 1 . . . A 120 THR C . 11458 1 664 . 1 1 60 60 THR CA C 13 57.992 0.3 . 1 . . . A 120 THR CA . 11458 1 665 . 1 1 60 60 THR CB C 13 72.72 0.3 . 1 . . . A 120 THR CB . 11458 1 666 . 1 1 60 60 THR CG2 C 13 21.873 0.3 . 1 . . . A 120 THR CG2 . 11458 1 667 . 1 1 60 60 THR N N 15 100.827 0.3 . 1 . . . A 120 THR N . 11458 1 668 . 1 1 61 61 ARG H H 1 7.777 0.03 . 1 . . . A 121 ARG H . 11458 1 669 . 1 1 61 61 ARG HA H 1 3.965 0.03 . 1 . . . A 121 ARG HA . 11458 1 670 . 1 1 61 61 ARG HB2 H 1 1.738 0.03 . 1 . . . A 121 ARG HB2 . 11458 1 671 . 1 1 61 61 ARG HB3 H 1 1.738 0.03 . 1 . . . A 121 ARG HB3 . 11458 1 672 . 1 1 61 61 ARG HG2 H 1 1.668 0.03 . 1 . . . A 121 ARG HG2 . 11458 1 673 . 1 1 61 61 ARG HG3 H 1 1.668 0.03 . 1 . . . A 121 ARG HG3 . 11458 1 674 . 1 1 61 61 ARG HD2 H 1 2.996 0.03 . 2 . . . A 121 ARG HD2 . 11458 1 675 . 1 1 61 61 ARG HD3 H 1 3.145 0.03 . 2 . . . A 121 ARG HD3 . 11458 1 676 . 1 1 61 61 ARG C C 13 177.392 0.3 . 1 . . . A 121 ARG C . 11458 1 677 . 1 1 61 61 ARG CA C 13 58.835 0.3 . 1 . . . A 121 ARG CA . 11458 1 678 . 1 1 61 61 ARG CB C 13 29.686 0.3 . 1 . . . A 121 ARG CB . 11458 1 679 . 1 1 61 61 ARG CG C 13 26.978 0.3 . 1 . . . A 121 ARG CG . 11458 1 680 . 1 1 61 61 ARG CD C 13 43.128 0.3 . 1 . . . A 121 ARG CD . 11458 1 681 . 1 1 62 62 THR H H 1 8.073 0.03 . 1 . . . A 122 THR H . 11458 1 682 . 1 1 62 62 THR HA H 1 3.968 0.03 . 1 . . . A 122 THR HA . 11458 1 683 . 1 1 62 62 THR HB H 1 4.025 0.03 . 1 . . . A 122 THR HB . 11458 1 684 . 1 1 62 62 THR HG21 H 1 1.262 0.03 . 1 . . . A 122 THR HG21 . 11458 1 685 . 1 1 62 62 THR HG22 H 1 1.262 0.03 . 1 . . . A 122 THR HG22 . 11458 1 686 . 1 1 62 62 THR HG23 H 1 1.262 0.03 . 1 . . . A 122 THR HG23 . 11458 1 687 . 1 1 62 62 THR C C 13 176.317 0.3 . 1 . . . A 122 THR C . 11458 1 688 . 1 1 62 62 THR CA C 13 66.549 0.3 . 1 . . . A 122 THR CA . 11458 1 689 . 1 1 62 62 THR CB C 13 68.988 0.3 . 1 . . . A 122 THR CB . 11458 1 690 . 1 1 62 62 THR CG2 C 13 21.818 0.3 . 1 . . . A 122 THR CG2 . 11458 1 691 . 1 1 62 62 THR N N 15 114.383 0.3 . 1 . . . A 122 THR N . 11458 1 692 . 1 1 63 63 LEU H H 1 7.517 0.03 . 1 . . . A 123 LEU H . 11458 1 693 . 1 1 63 63 LEU HA H 1 4.184 0.03 . 1 . . . A 123 LEU HA . 11458 1 694 . 1 1 63 63 LEU HB2 H 1 1.62 0.03 . 2 . . . A 123 LEU HB2 . 11458 1 695 . 1 1 63 63 LEU HB3 H 1 1.855 0.03 . 2 . . . A 123 LEU HB3 . 11458 1 696 . 1 1 63 63 LEU HG H 1 1.663 0.03 . 1 . . . A 123 LEU HG . 11458 1 697 . 1 1 63 63 LEU HD11 H 1 1.133 0.03 . 1 . . . A 123 LEU HD11 . 11458 1 698 . 1 1 63 63 LEU HD12 H 1 1.133 0.03 . 1 . . . A 123 LEU HD12 . 11458 1 699 . 1 1 63 63 LEU HD13 H 1 1.133 0.03 . 1 . . . A 123 LEU HD13 . 11458 1 700 . 1 1 63 63 LEU HD21 H 1 1.028 0.03 . 1 . . . A 123 LEU HD21 . 11458 1 701 . 1 1 63 63 LEU HD22 H 1 1.028 0.03 . 1 . . . A 123 LEU HD22 . 11458 1 702 . 1 1 63 63 LEU HD23 H 1 1.028 0.03 . 1 . . . A 123 LEU HD23 . 11458 1 703 . 1 1 63 63 LEU C C 13 177.957 0.3 . 1 . . . A 123 LEU C . 11458 1 704 . 1 1 63 63 LEU CA C 13 57.748 0.3 . 1 . . . A 123 LEU CA . 11458 1 705 . 1 1 63 63 LEU CB C 13 42.313 0.3 . 1 . . . A 123 LEU CB . 11458 1 706 . 1 1 63 63 LEU CG C 13 27.55 0.3 . 1 . . . A 123 LEU CG . 11458 1 707 . 1 1 63 63 LEU CD1 C 13 25.848 0.3 . 2 . . . A 123 LEU CD1 . 11458 1 708 . 1 1 63 63 LEU CD2 C 13 22.588 0.3 . 2 . . . A 123 LEU CD2 . 11458 1 709 . 1 1 63 63 LEU N N 15 120.595 0.3 . 1 . . . A 123 LEU N . 11458 1 710 . 1 1 64 64 ALA H H 1 7.785 0.03 . 1 . . . A 127 ALA H . 11458 1 711 . 1 1 64 64 ALA HA H 1 4.017 0.03 . 1 . . . A 127 ALA HA . 11458 1 712 . 1 1 64 64 ALA HB1 H 1 1.495 0.03 . 1 . . . A 127 ALA HB1 . 11458 1 713 . 1 1 64 64 ALA HB2 H 1 1.495 0.03 . 1 . . . A 127 ALA HB2 . 11458 1 714 . 1 1 64 64 ALA HB3 H 1 1.495 0.03 . 1 . . . A 127 ALA HB3 . 11458 1 715 . 1 1 64 64 ALA C C 13 178.139 0.3 . 1 . . . A 127 ALA C . 11458 1 716 . 1 1 64 64 ALA CA C 13 55.113 0.3 . 1 . . . A 127 ALA CA . 11458 1 717 . 1 1 64 64 ALA CB C 13 18.098 0.3 . 1 . . . A 127 ALA CB . 11458 1 718 . 1 1 64 64 ALA N N 15 120.136 0.3 . 1 . . . A 127 ALA N . 11458 1 719 . 1 1 65 65 GLU H H 1 8.646 0.03 . 1 . . . A 125 GLU H . 11458 1 720 . 1 1 65 65 GLU HA H 1 4.098 0.03 . 1 . . . A 125 GLU HA . 11458 1 721 . 1 1 65 65 GLU HB2 H 1 2.166 0.03 . 2 . . . A 125 GLU HB2 . 11458 1 722 . 1 1 65 65 GLU HB3 H 1 2.375 0.03 . 2 . . . A 125 GLU HB3 . 11458 1 723 . 1 1 65 65 GLU HG2 H 1 2.598 0.03 . 2 . . . A 125 GLU HG2 . 11458 1 724 . 1 1 65 65 GLU HG3 H 1 2.449 0.03 . 2 . . . A 125 GLU HG3 . 11458 1 725 . 1 1 65 65 GLU C C 13 179.334 0.3 . 1 . . . A 125 GLU C . 11458 1 726 . 1 1 65 65 GLU CA C 13 59.72 0.3 . 1 . . . A 125 GLU CA . 11458 1 727 . 1 1 65 65 GLU CB C 13 29.429 0.3 . 1 . . . A 125 GLU CB . 11458 1 728 . 1 1 65 65 GLU CG C 13 36.802 0.3 . 1 . . . A 125 GLU CG . 11458 1 729 . 1 1 65 65 GLU N N 15 117.12 0.3 . 1 . . . A 125 GLU N . 11458 1 730 . 1 1 66 66 ILE H H 1 7.627 0.03 . 1 . . . A 126 ILE H . 11458 1 731 . 1 1 66 66 ILE HA H 1 3.796 0.03 . 1 . . . A 126 ILE HA . 11458 1 732 . 1 1 66 66 ILE HB H 1 1.883 0.03 . 1 . . . A 126 ILE HB . 11458 1 733 . 1 1 66 66 ILE HG12 H 1 1.154 0.03 . 2 . . . A 126 ILE HG12 . 11458 1 734 . 1 1 66 66 ILE HG13 H 1 1.858 0.03 . 2 . . . A 126 ILE HG13 . 11458 1 735 . 1 1 66 66 ILE HG21 H 1 1.047 0.03 . 1 . . . A 126 ILE HG21 . 11458 1 736 . 1 1 66 66 ILE HG22 H 1 1.047 0.03 . 1 . . . A 126 ILE HG22 . 11458 1 737 . 1 1 66 66 ILE HG23 H 1 1.047 0.03 . 1 . . . A 126 ILE HG23 . 11458 1 738 . 1 1 66 66 ILE HD11 H 1 0.913 0.03 . 1 . . . A 126 ILE HD11 . 11458 1 739 . 1 1 66 66 ILE HD12 H 1 0.913 0.03 . 1 . . . A 126 ILE HD12 . 11458 1 740 . 1 1 66 66 ILE HD13 H 1 0.913 0.03 . 1 . . . A 126 ILE HD13 . 11458 1 741 . 1 1 66 66 ILE C C 13 177.137 0.3 . 1 . . . A 126 ILE C . 11458 1 742 . 1 1 66 66 ILE CA C 13 64.451 0.3 . 1 . . . A 126 ILE CA . 11458 1 743 . 1 1 66 66 ILE CB C 13 38.223 0.3 . 1 . . . A 126 ILE CB . 11458 1 744 . 1 1 66 66 ILE CG1 C 13 28.802 0.3 . 1 . . . A 126 ILE CG1 . 11458 1 745 . 1 1 66 66 ILE CG2 C 13 17.877 0.3 . 1 . . . A 126 ILE CG2 . 11458 1 746 . 1 1 66 66 ILE CD1 C 13 13.564 0.3 . 1 . . . A 126 ILE CD1 . 11458 1 747 . 1 1 66 66 ILE N N 15 119.899 0.3 . 1 . . . A 126 ILE N . 11458 1 748 . 1 1 67 67 ALA H H 1 7.942 0.03 . 1 . . . A 127 ALA H . 11458 1 749 . 1 1 67 67 ALA HA H 1 3.112 0.03 . 1 . . . A 127 ALA HA . 11458 1 750 . 1 1 67 67 ALA HB1 H 1 0.755 0.03 . 1 . . . A 127 ALA HB1 . 11458 1 751 . 1 1 67 67 ALA HB2 H 1 0.755 0.03 . 1 . . . A 127 ALA HB2 . 11458 1 752 . 1 1 67 67 ALA HB3 H 1 0.755 0.03 . 1 . . . A 127 ALA HB3 . 11458 1 753 . 1 1 67 67 ALA C C 13 178.702 0.3 . 1 . . . A 127 ALA C . 11458 1 754 . 1 1 67 67 ALA CA C 13 55 0.3 . 1 . . . A 127 ALA CA . 11458 1 755 . 1 1 67 67 ALA CB C 13 18.028 0.3 . 1 . . . A 127 ALA CB . 11458 1 756 . 1 1 67 67 ALA N N 15 122.526 0.3 . 1 . . . A 127 ALA N . 11458 1 757 . 1 1 68 68 LYS H H 1 8.014 0.03 . 1 . . . A 128 LYS H . 11458 1 758 . 1 1 68 68 LYS HA H 1 3.58 0.03 . 1 . . . A 128 LYS HA . 11458 1 759 . 1 1 68 68 LYS HB2 H 1 1.807 0.03 . 2 . . . A 128 LYS HB2 . 11458 1 760 . 1 1 68 68 LYS HB3 H 1 1.565 0.03 . 2 . . . A 128 LYS HB3 . 11458 1 761 . 1 1 68 68 LYS HG2 H 1 1.052 0.03 . 2 . . . A 128 LYS HG2 . 11458 1 762 . 1 1 68 68 LYS HG3 H 1 1.197 0.03 . 2 . . . A 128 LYS HG3 . 11458 1 763 . 1 1 68 68 LYS HD2 H 1 1.431 0.03 . 1 . . . A 128 LYS HD2 . 11458 1 764 . 1 1 68 68 LYS HD3 H 1 1.431 0.03 . 1 . . . A 128 LYS HD3 . 11458 1 765 . 1 1 68 68 LYS HE2 H 1 3.057 0.03 . 1 . . . A 128 LYS HE2 . 11458 1 766 . 1 1 68 68 LYS HE3 H 1 3.057 0.03 . 1 . . . A 128 LYS HE3 . 11458 1 767 . 1 1 68 68 LYS C C 13 177.966 0.3 . 1 . . . A 128 LYS C . 11458 1 768 . 1 1 68 68 LYS CA C 13 60.223 0.3 . 1 . . . A 128 LYS CA . 11458 1 769 . 1 1 68 68 LYS CB C 13 31.993 0.3 . 1 . . . A 128 LYS CB . 11458 1 770 . 1 1 68 68 LYS CG C 13 24.259 0.3 . 1 . . . A 128 LYS CG . 11458 1 771 . 1 1 68 68 LYS CD C 13 30.019 0.3 . 1 . . . A 128 LYS CD . 11458 1 772 . 1 1 68 68 LYS CE C 13 42.196 0.3 . 1 . . . A 128 LYS CE . 11458 1 773 . 1 1 68 68 LYS N N 15 115.852 0.3 . 1 . . . A 128 LYS N . 11458 1 774 . 1 1 69 69 VAL H H 1 7.451 0.03 . 1 . . . A 129 VAL H . 11458 1 775 . 1 1 69 69 VAL HA H 1 3.797 0.03 . 1 . . . A 129 VAL HA . 11458 1 776 . 1 1 69 69 VAL HB H 1 2.221 0.03 . 1 . . . A 129 VAL HB . 11458 1 777 . 1 1 69 69 VAL HG11 H 1 1.002 0.03 . 1 . . . A 129 VAL HG11 . 11458 1 778 . 1 1 69 69 VAL HG12 H 1 1.002 0.03 . 1 . . . A 129 VAL HG12 . 11458 1 779 . 1 1 69 69 VAL HG13 H 1 1.002 0.03 . 1 . . . A 129 VAL HG13 . 11458 1 780 . 1 1 69 69 VAL HG21 H 1 1.144 0.03 . 1 . . . A 129 VAL HG21 . 11458 1 781 . 1 1 69 69 VAL HG22 H 1 1.144 0.03 . 1 . . . A 129 VAL HG22 . 11458 1 782 . 1 1 69 69 VAL HG23 H 1 1.144 0.03 . 1 . . . A 129 VAL HG23 . 11458 1 783 . 1 1 69 69 VAL C C 13 178.911 0.3 . 1 . . . A 129 VAL C . 11458 1 784 . 1 1 69 69 VAL CA C 13 65.311 0.3 . 1 . . . A 129 VAL CA . 11458 1 785 . 1 1 69 69 VAL CB C 13 31.855 0.3 . 1 . . . A 129 VAL CB . 11458 1 786 . 1 1 69 69 VAL CG1 C 13 21.186 0.3 . 2 . . . A 129 VAL CG1 . 11458 1 787 . 1 1 69 69 VAL CG2 C 13 22.697 0.3 . 2 . . . A 129 VAL CG2 . 11458 1 788 . 1 1 69 69 VAL N N 15 115.75 0.3 . 1 . . . A 129 VAL N . 11458 1 789 . 1 1 70 70 GLU H H 1 8.219 0.03 . 1 . . . A 130 GLU H . 11458 1 790 . 1 1 70 70 GLU HA H 1 4.074 0.03 . 1 . . . A 130 GLU HA . 11458 1 791 . 1 1 70 70 GLU HB2 H 1 1.931 0.03 . 2 . . . A 130 GLU HB2 . 11458 1 792 . 1 1 70 70 GLU HB3 H 1 2.046 0.03 . 2 . . . A 130 GLU HB3 . 11458 1 793 . 1 1 70 70 GLU HG2 H 1 2.763 0.03 . 2 . . . A 130 GLU HG2 . 11458 1 794 . 1 1 70 70 GLU HG3 H 1 2.16 0.03 . 2 . . . A 130 GLU HG3 . 11458 1 795 . 1 1 70 70 GLU C C 13 178.587 0.3 . 1 . . . A 130 GLU C . 11458 1 796 . 1 1 70 70 GLU CA C 13 59.432 0.3 . 1 . . . A 130 GLU CA . 11458 1 797 . 1 1 70 70 GLU CB C 13 29.566 0.3 . 1 . . . A 130 GLU CB . 11458 1 798 . 1 1 70 70 GLU CG C 13 37.732 0.3 . 1 . . . A 130 GLU CG . 11458 1 799 . 1 1 70 70 GLU N N 15 118.13 0.3 . 1 . . . A 130 GLU N . 11458 1 800 . 1 1 71 71 LEU H H 1 8.417 0.03 . 1 . . . A 131 LEU H . 11458 1 801 . 1 1 71 71 LEU HA H 1 4.395 0.03 . 1 . . . A 131 LEU HA . 11458 1 802 . 1 1 71 71 LEU HB2 H 1 1.197 0.03 . 2 . . . A 131 LEU HB2 . 11458 1 803 . 1 1 71 71 LEU HB3 H 1 1.633 0.03 . 2 . . . A 131 LEU HB3 . 11458 1 804 . 1 1 71 71 LEU HG H 1 1.547 0.03 . 1 . . . A 131 LEU HG . 11458 1 805 . 1 1 71 71 LEU HD11 H 1 0.14 0.03 . 1 . . . A 131 LEU HD11 . 11458 1 806 . 1 1 71 71 LEU HD12 H 1 0.14 0.03 . 1 . . . A 131 LEU HD12 . 11458 1 807 . 1 1 71 71 LEU HD13 H 1 0.14 0.03 . 1 . . . A 131 LEU HD13 . 11458 1 808 . 1 1 71 71 LEU HD21 H 1 0.65 0.03 . 1 . . . A 131 LEU HD21 . 11458 1 809 . 1 1 71 71 LEU HD22 H 1 0.65 0.03 . 1 . . . A 131 LEU HD22 . 11458 1 810 . 1 1 71 71 LEU HD23 H 1 0.65 0.03 . 1 . . . A 131 LEU HD23 . 11458 1 811 . 1 1 71 71 LEU C C 13 177.058 0.3 . 1 . . . A 131 LEU C . 11458 1 812 . 1 1 71 71 LEU CA C 13 55.32 0.3 . 1 . . . A 131 LEU CA . 11458 1 813 . 1 1 71 71 LEU CB C 13 43.438 0.3 . 1 . . . A 131 LEU CB . 11458 1 814 . 1 1 71 71 LEU CG C 13 27.121 0.3 . 1 . . . A 131 LEU CG . 11458 1 815 . 1 1 71 71 LEU CD1 C 13 26.136 0.3 . 2 . . . A 131 LEU CD1 . 11458 1 816 . 1 1 71 71 LEU CD2 C 13 23.223 0.3 . 2 . . . A 131 LEU CD2 . 11458 1 817 . 1 1 71 71 LEU N N 15 117.418 0.3 . 1 . . . A 131 LEU N . 11458 1 818 . 1 1 72 72 ASP H H 1 7.605 0.03 . 1 . . . A 132 ASP H . 11458 1 819 . 1 1 72 72 ASP HA H 1 4.256 0.03 . 1 . . . A 132 ASP HA . 11458 1 820 . 1 1 72 72 ASP HB2 H 1 3.215 0.03 . 2 . . . A 132 ASP HB2 . 11458 1 821 . 1 1 72 72 ASP HB3 H 1 2.573 0.03 . 2 . . . A 132 ASP HB3 . 11458 1 822 . 1 1 72 72 ASP C C 13 177.953 0.3 . 1 . . . A 132 ASP C . 11458 1 823 . 1 1 72 72 ASP CA C 13 57.276 0.3 . 1 . . . A 132 ASP CA . 11458 1 824 . 1 1 72 72 ASP CB C 13 40.482 0.3 . 1 . . . A 132 ASP CB . 11458 1 825 . 1 1 72 72 ASP N N 15 117.348 0.3 . 1 . . . A 132 ASP N . 11458 1 826 . 1 1 73 73 ASN H H 1 8.738 0.03 . 1 . . . A 133 ASN H . 11458 1 827 . 1 1 73 73 ASN HA H 1 4.392 0.03 . 1 . . . A 133 ASN HA . 11458 1 828 . 1 1 73 73 ASN HB2 H 1 2.972 0.03 . 1 . . . A 133 ASN HB2 . 11458 1 829 . 1 1 73 73 ASN HB3 H 1 2.972 0.03 . 1 . . . A 133 ASN HB3 . 11458 1 830 . 1 1 73 73 ASN HD21 H 1 6.632 0.03 . 2 . . . A 133 ASN HD21 . 11458 1 831 . 1 1 73 73 ASN HD22 H 1 7.536 0.03 . 2 . . . A 133 ASN HD22 . 11458 1 832 . 1 1 73 73 ASN C C 13 174.365 0.3 . 1 . . . A 133 ASN C . 11458 1 833 . 1 1 73 73 ASN CA C 13 55.36 0.3 . 1 . . . A 133 ASN CA . 11458 1 834 . 1 1 73 73 ASN CB C 13 38.223 0.3 . 1 . . . A 133 ASN CB . 11458 1 835 . 1 1 73 73 ASN N N 15 120.482 0.3 . 1 . . . A 133 ASN N . 11458 1 836 . 1 1 73 73 ASN ND2 N 15 114.033 0.3 . 1 . . . A 133 ASN ND2 . 11458 1 837 . 1 1 74 74 MET H H 1 8.056 0.03 . 1 . . . A 134 MET H . 11458 1 838 . 1 1 74 74 MET HA H 1 4.505 0.03 . 1 . . . A 134 MET HA . 11458 1 839 . 1 1 74 74 MET HB2 H 1 2.016 0.03 . 2 . . . A 134 MET HB2 . 11458 1 840 . 1 1 74 74 MET HB3 H 1 2.246 0.03 . 2 . . . A 134 MET HB3 . 11458 1 841 . 1 1 74 74 MET HG2 H 1 2.507 0.03 . 2 . . . A 134 MET HG2 . 11458 1 842 . 1 1 74 74 MET HG3 H 1 2.569 0.03 . 2 . . . A 134 MET HG3 . 11458 1 843 . 1 1 74 74 MET HE1 H 1 2.03 0.03 . 1 . . . A 134 MET HE1 . 11458 1 844 . 1 1 74 74 MET HE2 H 1 2.03 0.03 . 1 . . . A 134 MET HE2 . 11458 1 845 . 1 1 74 74 MET HE3 H 1 2.03 0.03 . 1 . . . A 134 MET HE3 . 11458 1 846 . 1 1 74 74 MET C C 13 174.285 0.3 . 1 . . . A 134 MET C . 11458 1 847 . 1 1 74 74 MET CA C 13 54.493 0.3 . 1 . . . A 134 MET CA . 11458 1 848 . 1 1 74 74 MET CB C 13 33.866 0.3 . 1 . . . A 134 MET CB . 11458 1 849 . 1 1 74 74 MET CG C 13 31.445 0.3 . 1 . . . A 134 MET CG . 11458 1 850 . 1 1 74 74 MET CE C 13 17.818 0.3 . 1 . . . A 134 MET CE . 11458 1 851 . 1 1 74 74 MET N N 15 122.426 0.3 . 1 . . . A 134 MET N . 11458 1 852 . 1 1 75 75 PRO HA H 1 4.97 0.03 . 1 . . . A 135 PRO HA . 11458 1 853 . 1 1 75 75 PRO HB2 H 1 2.074 0.03 . 2 . . . A 135 PRO HB2 . 11458 1 854 . 1 1 75 75 PRO HB3 H 1 1.883 0.03 . 2 . . . A 135 PRO HB3 . 11458 1 855 . 1 1 75 75 PRO HG2 H 1 1.961 0.03 . 2 . . . A 135 PRO HG2 . 11458 1 856 . 1 1 75 75 PRO HG3 H 1 2.191 0.03 . 2 . . . A 135 PRO HG3 . 11458 1 857 . 1 1 75 75 PRO HD2 H 1 3.745 0.03 . 2 . . . A 135 PRO HD2 . 11458 1 858 . 1 1 75 75 PRO HD3 H 1 3.998 0.03 . 2 . . . A 135 PRO HD3 . 11458 1 859 . 1 1 75 75 PRO C C 13 176.862 0.3 . 1 . . . A 135 PRO C . 11458 1 860 . 1 1 75 75 PRO CA C 13 61.813 0.3 . 1 . . . A 135 PRO CA . 11458 1 861 . 1 1 75 75 PRO CB C 13 31.831 0.3 . 1 . . . A 135 PRO CB . 11458 1 862 . 1 1 75 75 PRO CG C 13 27.625 0.3 . 1 . . . A 135 PRO CG . 11458 1 863 . 1 1 75 75 PRO CD C 13 50.806 0.3 . 1 . . . A 135 PRO CD . 11458 1 864 . 1 1 76 76 LEU H H 1 8.905 0.03 . 1 . . . A 136 LEU H . 11458 1 865 . 1 1 76 76 LEU HA H 1 4.413 0.03 . 1 . . . A 136 LEU HA . 11458 1 866 . 1 1 76 76 LEU HB2 H 1 1.133 0.03 . 2 . . . A 136 LEU HB2 . 11458 1 867 . 1 1 76 76 LEU HB3 H 1 1.723 0.03 . 2 . . . A 136 LEU HB3 . 11458 1 868 . 1 1 76 76 LEU HG H 1 1.219 0.03 . 1 . . . A 136 LEU HG . 11458 1 869 . 1 1 76 76 LEU HD11 H 1 0.947 0.03 . 1 . . . A 136 LEU HD11 . 11458 1 870 . 1 1 76 76 LEU HD12 H 1 0.947 0.03 . 1 . . . A 136 LEU HD12 . 11458 1 871 . 1 1 76 76 LEU HD13 H 1 0.947 0.03 . 1 . . . A 136 LEU HD13 . 11458 1 872 . 1 1 76 76 LEU HD21 H 1 0.732 0.03 . 1 . . . A 136 LEU HD21 . 11458 1 873 . 1 1 76 76 LEU HD22 H 1 0.732 0.03 . 1 . . . A 136 LEU HD22 . 11458 1 874 . 1 1 76 76 LEU HD23 H 1 0.732 0.03 . 1 . . . A 136 LEU HD23 . 11458 1 875 . 1 1 76 76 LEU C C 13 174.286 0.3 . 1 . . . A 136 LEU C . 11458 1 876 . 1 1 76 76 LEU CA C 13 54.938 0.3 . 1 . . . A 136 LEU CA . 11458 1 877 . 1 1 76 76 LEU CB C 13 44.179 0.3 . 1 . . . A 136 LEU CB . 11458 1 878 . 1 1 76 76 LEU CG C 13 27.84 0.3 . 1 . . . A 136 LEU CG . 11458 1 879 . 1 1 76 76 LEU CD1 C 13 22.943 0.3 . 2 . . . A 136 LEU CD1 . 11458 1 880 . 1 1 76 76 LEU CD2 C 13 26.316 0.3 . 2 . . . A 136 LEU CD2 . 11458 1 881 . 1 1 76 76 LEU N N 15 125.412 0.3 . 1 . . . A 136 LEU N . 11458 1 882 . 1 1 77 77 ARG H H 1 9.193 0.03 . 1 . . . A 137 ARG H . 11458 1 883 . 1 1 77 77 ARG HA H 1 3.8 0.03 . 1 . . . A 137 ARG HA . 11458 1 884 . 1 1 77 77 ARG HB2 H 1 1.769 0.03 . 2 . . . A 137 ARG HB2 . 11458 1 885 . 1 1 77 77 ARG HB3 H 1 1.842 0.03 . 2 . . . A 137 ARG HB3 . 11458 1 886 . 1 1 77 77 ARG HG2 H 1 1.426 0.03 . 2 . . . A 137 ARG HG2 . 11458 1 887 . 1 1 77 77 ARG HG3 H 1 1.657 0.03 . 2 . . . A 137 ARG HG3 . 11458 1 888 . 1 1 77 77 ARG HD2 H 1 3.171 0.03 . 2 . . . A 137 ARG HD2 . 11458 1 889 . 1 1 77 77 ARG HD3 H 1 3.325 0.03 . 2 . . . A 137 ARG HD3 . 11458 1 890 . 1 1 77 77 ARG HE H 1 7.97 0.03 . 1 . . . A 137 ARG HE . 11458 1 891 . 1 1 77 77 ARG C C 13 175.961 0.3 . 1 . . . A 137 ARG C . 11458 1 892 . 1 1 77 77 ARG CA C 13 57.944 0.3 . 1 . . . A 137 ARG CA . 11458 1 893 . 1 1 77 77 ARG CB C 13 29.072 0.3 . 1 . . . A 137 ARG CB . 11458 1 894 . 1 1 77 77 ARG CG C 13 28.811 0.3 . 1 . . . A 137 ARG CG . 11458 1 895 . 1 1 77 77 ARG CD C 13 43.644 0.3 . 1 . . . A 137 ARG CD . 11458 1 896 . 1 1 77 77 ARG N N 15 123.886 0.3 . 1 . . . A 137 ARG N . 11458 1 897 . 1 1 78 78 GLY H H 1 8.416 0.03 . 1 . . . A 138 GLY H . 11458 1 898 . 1 1 78 78 GLY HA2 H 1 3.554 0.03 . 2 . . . A 138 GLY HA2 . 11458 1 899 . 1 1 78 78 GLY HA3 H 1 4.207 0.03 . 2 . . . A 138 GLY HA3 . 11458 1 900 . 1 1 78 78 GLY C C 13 174.274 0.3 . 1 . . . A 138 GLY C . 11458 1 901 . 1 1 78 78 GLY CA C 13 45.197 0.3 . 1 . . . A 138 GLY CA . 11458 1 902 . 1 1 78 78 GLY N N 15 104.037 0.3 . 1 . . . A 138 GLY N . 11458 1 903 . 1 1 79 79 LYS H H 1 7.832 0.03 . 1 . . . A 139 LYS H . 11458 1 904 . 1 1 79 79 LYS HA H 1 4.519 0.03 . 1 . . . A 139 LYS HA . 11458 1 905 . 1 1 79 79 LYS HB2 H 1 1.922 0.03 . 2 . . . A 139 LYS HB2 . 11458 1 906 . 1 1 79 79 LYS HB3 H 1 2.065 0.03 . 2 . . . A 139 LYS HB3 . 11458 1 907 . 1 1 79 79 LYS HG2 H 1 1.163 0.03 . 2 . . . A 139 LYS HG2 . 11458 1 908 . 1 1 79 79 LYS HG3 H 1 1.318 0.03 . 2 . . . A 139 LYS HG3 . 11458 1 909 . 1 1 79 79 LYS HD2 H 1 1.38 0.03 . 2 . . . A 139 LYS HD2 . 11458 1 910 . 1 1 79 79 LYS HD3 H 1 1.517 0.03 . 2 . . . A 139 LYS HD3 . 11458 1 911 . 1 1 79 79 LYS HE2 H 1 2.817 0.03 . 1 . . . A 139 LYS HE2 . 11458 1 912 . 1 1 79 79 LYS HE3 H 1 2.817 0.03 . 1 . . . A 139 LYS HE3 . 11458 1 913 . 1 1 79 79 LYS C C 13 176.042 0.3 . 1 . . . A 139 LYS C . 11458 1 914 . 1 1 79 79 LYS CA C 13 53.287 0.3 . 1 . . . A 139 LYS CA . 11458 1 915 . 1 1 79 79 LYS CB C 13 34.109 0.3 . 1 . . . A 139 LYS CB . 11458 1 916 . 1 1 79 79 LYS CG C 13 24.259 0.3 . 1 . . . A 139 LYS CG . 11458 1 917 . 1 1 79 79 LYS CD C 13 28.063 0.3 . 1 . . . A 139 LYS CD . 11458 1 918 . 1 1 79 79 LYS CE C 13 42.276 0.3 . 1 . . . A 139 LYS CE . 11458 1 919 . 1 1 79 79 LYS N N 15 120.559 0.3 . 1 . . . A 139 LYS N . 11458 1 920 . 1 1 80 80 GLN H H 1 8.108 0.03 . 1 . . . A 140 GLN H . 11458 1 921 . 1 1 80 80 GLN HA H 1 4.469 0.03 . 1 . . . A 140 GLN HA . 11458 1 922 . 1 1 80 80 GLN HB2 H 1 1.729 0.03 . 2 . . . A 140 GLN HB2 . 11458 1 923 . 1 1 80 80 GLN HB3 H 1 1.888 0.03 . 2 . . . A 140 GLN HB3 . 11458 1 924 . 1 1 80 80 GLN HG2 H 1 2.156 0.03 . 2 . . . A 140 GLN HG2 . 11458 1 925 . 1 1 80 80 GLN HG3 H 1 2.055 0.03 . 2 . . . A 140 GLN HG3 . 11458 1 926 . 1 1 80 80 GLN HE21 H 1 7.397 0.03 . 2 . . . A 140 GLN HE21 . 11458 1 927 . 1 1 80 80 GLN HE22 H 1 6.742 0.03 . 2 . . . A 140 GLN HE22 . 11458 1 928 . 1 1 80 80 GLN C C 13 175.224 0.3 . 1 . . . A 140 GLN C . 11458 1 929 . 1 1 80 80 GLN CA C 13 55.052 0.3 . 1 . . . A 140 GLN CA . 11458 1 930 . 1 1 80 80 GLN CB C 13 29.605 0.3 . 1 . . . A 140 GLN CB . 11458 1 931 . 1 1 80 80 GLN CG C 13 34.626 0.3 . 1 . . . A 140 GLN CG . 11458 1 932 . 1 1 80 80 GLN N N 15 120.536 0.3 . 1 . . . A 140 GLN N . 11458 1 933 . 1 1 80 80 GLN NE2 N 15 111.073 0.3 . 1 . . . A 140 GLN NE2 . 11458 1 934 . 1 1 81 81 LEU H H 1 8.76 0.03 . 1 . . . A 141 LEU H . 11458 1 935 . 1 1 81 81 LEU HA H 1 4.287 0.03 . 1 . . . A 141 LEU HA . 11458 1 936 . 1 1 81 81 LEU HB2 H 1 1.191 0.03 . 2 . . . A 141 LEU HB2 . 11458 1 937 . 1 1 81 81 LEU HB3 H 1 1.948 0.03 . 2 . . . A 141 LEU HB3 . 11458 1 938 . 1 1 81 81 LEU HG H 1 1.931 0.03 . 1 . . . A 141 LEU HG . 11458 1 939 . 1 1 81 81 LEU HD11 H 1 0.738 0.03 . 1 . . . A 141 LEU HD11 . 11458 1 940 . 1 1 81 81 LEU HD12 H 1 0.738 0.03 . 1 . . . A 141 LEU HD12 . 11458 1 941 . 1 1 81 81 LEU HD13 H 1 0.738 0.03 . 1 . . . A 141 LEU HD13 . 11458 1 942 . 1 1 81 81 LEU HD21 H 1 0.707 0.03 . 1 . . . A 141 LEU HD21 . 11458 1 943 . 1 1 81 81 LEU HD22 H 1 0.707 0.03 . 1 . . . A 141 LEU HD22 . 11458 1 944 . 1 1 81 81 LEU HD23 H 1 0.707 0.03 . 1 . . . A 141 LEU HD23 . 11458 1 945 . 1 1 81 81 LEU C C 13 176.677 0.3 . 1 . . . A 141 LEU C . 11458 1 946 . 1 1 81 81 LEU CA C 13 55.866 0.3 . 1 . . . A 141 LEU CA . 11458 1 947 . 1 1 81 81 LEU CB C 13 42.679 0.3 . 1 . . . A 141 LEU CB . 11458 1 948 . 1 1 81 81 LEU CG C 13 26.493 0.3 . 1 . . . A 141 LEU CG . 11458 1 949 . 1 1 81 81 LEU CD1 C 13 25.287 0.3 . 2 . . . A 141 LEU CD1 . 11458 1 950 . 1 1 81 81 LEU CD2 C 13 23.179 0.3 . 2 . . . A 141 LEU CD2 . 11458 1 951 . 1 1 81 81 LEU N N 15 126.026 0.3 . 1 . . . A 141 LEU N . 11458 1 952 . 1 1 82 82 ARG H H 1 7.778 0.03 . 1 . . . A 142 ARG H . 11458 1 953 . 1 1 82 82 ARG HA H 1 5.12 0.03 . 1 . . . A 142 ARG HA . 11458 1 954 . 1 1 82 82 ARG HB2 H 1 1.643 0.03 . 2 . . . A 142 ARG HB2 . 11458 1 955 . 1 1 82 82 ARG HB3 H 1 1.694 0.03 . 2 . . . A 142 ARG HB3 . 11458 1 956 . 1 1 82 82 ARG HG2 H 1 1.568 0.03 . 2 . . . A 142 ARG HG2 . 11458 1 957 . 1 1 82 82 ARG HG3 H 1 1.634 0.03 . 2 . . . A 142 ARG HG3 . 11458 1 958 . 1 1 82 82 ARG HD2 H 1 3.232 0.03 . 2 . . . A 142 ARG HD2 . 11458 1 959 . 1 1 82 82 ARG HD3 H 1 3.329 0.03 . 2 . . . A 142 ARG HD3 . 11458 1 960 . 1 1 82 82 ARG C C 13 174.819 0.3 . 1 . . . A 142 ARG C . 11458 1 961 . 1 1 82 82 ARG CA C 13 53.177 0.3 . 1 . . . A 142 ARG CA . 11458 1 962 . 1 1 82 82 ARG CB C 13 31.438 0.3 . 1 . . . A 142 ARG CB . 11458 1 963 . 1 1 82 82 ARG CG C 13 27.057 0.3 . 1 . . . A 142 ARG CG . 11458 1 964 . 1 1 82 82 ARG CD C 13 42.57 0.3 . 1 . . . A 142 ARG CD . 11458 1 965 . 1 1 82 82 ARG N N 15 121.025 0.3 . 1 . . . A 142 ARG N . 11458 1 966 . 1 1 83 83 VAL H H 1 9.009 0.03 . 1 . . . A 143 VAL H . 11458 1 967 . 1 1 83 83 VAL HA H 1 5.296 0.03 . 1 . . . A 143 VAL HA . 11458 1 968 . 1 1 83 83 VAL HB H 1 1.859 0.03 . 1 . . . A 143 VAL HB . 11458 1 969 . 1 1 83 83 VAL HG11 H 1 0.887 0.03 . 1 . . . A 143 VAL HG11 . 11458 1 970 . 1 1 83 83 VAL HG12 H 1 0.887 0.03 . 1 . . . A 143 VAL HG12 . 11458 1 971 . 1 1 83 83 VAL HG13 H 1 0.887 0.03 . 1 . . . A 143 VAL HG13 . 11458 1 972 . 1 1 83 83 VAL HG21 H 1 0.892 0.03 . 1 . . . A 143 VAL HG21 . 11458 1 973 . 1 1 83 83 VAL HG22 H 1 0.892 0.03 . 1 . . . A 143 VAL HG22 . 11458 1 974 . 1 1 83 83 VAL HG23 H 1 0.892 0.03 . 1 . . . A 143 VAL HG23 . 11458 1 975 . 1 1 83 83 VAL C C 13 174.947 0.3 . 1 . . . A 143 VAL C . 11458 1 976 . 1 1 83 83 VAL CA C 13 60.995 0.3 . 1 . . . A 143 VAL CA . 11458 1 977 . 1 1 83 83 VAL CB C 13 33.368 0.3 . 1 . . . A 143 VAL CB . 11458 1 978 . 1 1 83 83 VAL CG1 C 13 23.493 0.3 . 2 . . . A 143 VAL CG1 . 11458 1 979 . 1 1 83 83 VAL CG2 C 13 21.296 0.3 . 2 . . . A 143 VAL CG2 . 11458 1 980 . 1 1 83 83 VAL N N 15 126.389 0.3 . 1 . . . A 143 VAL N . 11458 1 981 . 1 1 84 84 ARG H H 1 9.115 0.03 . 1 . . . A 144 ARG H . 11458 1 982 . 1 1 84 84 ARG HA H 1 4.631 0.03 . 1 . . . A 144 ARG HA . 11458 1 983 . 1 1 84 84 ARG HB2 H 1 2.012 0.03 . 2 . . . A 144 ARG HB2 . 11458 1 984 . 1 1 84 84 ARG HB3 H 1 1.679 0.03 . 2 . . . A 144 ARG HB3 . 11458 1 985 . 1 1 84 84 ARG HG2 H 1 1.418 0.03 . 2 . . . A 144 ARG HG2 . 11458 1 986 . 1 1 84 84 ARG HG3 H 1 1.502 0.03 . 2 . . . A 144 ARG HG3 . 11458 1 987 . 1 1 84 84 ARG HD2 H 1 3.105 0.03 . 2 . . . A 144 ARG HD2 . 11458 1 988 . 1 1 84 84 ARG HD3 H 1 3.139 0.03 . 2 . . . A 144 ARG HD3 . 11458 1 989 . 1 1 84 84 ARG C C 13 175.108 0.3 . 1 . . . A 144 ARG C . 11458 1 990 . 1 1 84 84 ARG CA C 13 52.947 0.3 . 1 . . . A 144 ARG CA . 11458 1 991 . 1 1 84 84 ARG CB C 13 34.519 0.3 . 1 . . . A 144 ARG CB . 11458 1 992 . 1 1 84 84 ARG CG C 13 26.563 0.3 . 1 . . . A 144 ARG CG . 11458 1 993 . 1 1 84 84 ARG CD C 13 43.101 0.3 . 1 . . . A 144 ARG CD . 11458 1 994 . 1 1 84 84 ARG N N 15 123.532 0.3 . 1 . . . A 144 ARG N . 11458 1 995 . 1 1 85 85 PHE H H 1 8.997 0.03 . 1 . . . A 145 PHE H . 11458 1 996 . 1 1 85 85 PHE HA H 1 4.568 0.03 . 1 . . . A 145 PHE HA . 11458 1 997 . 1 1 85 85 PHE HB2 H 1 2.912 0.03 . 2 . . . A 145 PHE HB2 . 11458 1 998 . 1 1 85 85 PHE HB3 H 1 3.348 0.03 . 2 . . . A 145 PHE HB3 . 11458 1 999 . 1 1 85 85 PHE HD1 H 1 7.339 0.03 . 1 . . . A 145 PHE HD1 . 11458 1 1000 . 1 1 85 85 PHE HD2 H 1 7.339 0.03 . 1 . . . A 145 PHE HD2 . 11458 1 1001 . 1 1 85 85 PHE HE1 H 1 7.245 0.03 . 1 . . . A 145 PHE HE1 . 11458 1 1002 . 1 1 85 85 PHE HE2 H 1 7.245 0.03 . 1 . . . A 145 PHE HE2 . 11458 1 1003 . 1 1 85 85 PHE HZ H 1 7.077 0.03 . 1 . . . A 145 PHE HZ . 11458 1 1004 . 1 1 85 85 PHE C C 13 176.976 0.3 . 1 . . . A 145 PHE C . 11458 1 1005 . 1 1 85 85 PHE CA C 13 60.963 0.3 . 1 . . . A 145 PHE CA . 11458 1 1006 . 1 1 85 85 PHE CB C 13 38.767 0.3 . 1 . . . A 145 PHE CB . 11458 1 1007 . 1 1 85 85 PHE CD1 C 13 131.435 0.3 . 1 . . . A 145 PHE CD1 . 11458 1 1008 . 1 1 85 85 PHE CD2 C 13 131.435 0.3 . 1 . . . A 145 PHE CD2 . 11458 1 1009 . 1 1 85 85 PHE CE1 C 13 131.31 0.3 . 1 . . . A 145 PHE CE1 . 11458 1 1010 . 1 1 85 85 PHE CE2 C 13 131.31 0.3 . 1 . . . A 145 PHE CE2 . 11458 1 1011 . 1 1 85 85 PHE CZ C 13 128.935 0.3 . 1 . . . A 145 PHE CZ . 11458 1 1012 . 1 1 85 85 PHE N N 15 120.432 0.3 . 1 . . . A 145 PHE N . 11458 1 1013 . 1 1 86 86 ALA H H 1 8.685 0.03 . 1 . . . A 146 ALA H . 11458 1 1014 . 1 1 86 86 ALA HA H 1 4.461 0.03 . 1 . . . A 146 ALA HA . 11458 1 1015 . 1 1 86 86 ALA HB1 H 1 1.456 0.03 . 1 . . . A 146 ALA HB1 . 11458 1 1016 . 1 1 86 86 ALA HB2 H 1 1.456 0.03 . 1 . . . A 146 ALA HB2 . 11458 1 1017 . 1 1 86 86 ALA HB3 H 1 1.456 0.03 . 1 . . . A 146 ALA HB3 . 11458 1 1018 . 1 1 86 86 ALA C C 13 177.036 0.3 . 1 . . . A 146 ALA C . 11458 1 1019 . 1 1 86 86 ALA CA C 13 52.563 0.3 . 1 . . . A 146 ALA CA . 11458 1 1020 . 1 1 86 86 ALA CB C 13 19.555 0.3 . 1 . . . A 146 ALA CB . 11458 1 1021 . 1 1 86 86 ALA N N 15 125.505 0.3 . 1 . . . A 146 ALA N . 11458 1 1022 . 1 1 87 87 CYS H H 1 7.511 0.03 . 1 . . . A 147 CYS H . 11458 1 1023 . 1 1 87 87 CYS HA H 1 4.418 0.03 . 1 . . . A 147 CYS HA . 11458 1 1024 . 1 1 87 87 CYS HB2 H 1 2.828 0.03 . 1 . . . A 147 CYS HB2 . 11458 1 1025 . 1 1 87 87 CYS HB3 H 1 2.828 0.03 . 1 . . . A 147 CYS HB3 . 11458 1 1026 . 1 1 87 87 CYS CA C 13 58.544 0.3 . 1 . . . A 147 CYS CA . 11458 1 1027 . 1 1 87 87 CYS CB C 13 28.188 0.3 . 1 . . . A 147 CYS CB . 11458 1 1028 . 1 1 90 90 ALA HA H 1 4.218 0.03 . 1 . . . A 150 ALA HA . 11458 1 1029 . 1 1 90 90 ALA HB1 H 1 1.303 0.03 . 1 . . . A 150 ALA HB1 . 11458 1 1030 . 1 1 90 90 ALA HB2 H 1 1.303 0.03 . 1 . . . A 150 ALA HB2 . 11458 1 1031 . 1 1 90 90 ALA HB3 H 1 1.303 0.03 . 1 . . . A 150 ALA HB3 . 11458 1 1032 . 1 1 90 90 ALA CA C 13 52.619 0.3 . 1 . . . A 150 ALA CA . 11458 1 1033 . 1 1 90 90 ALA CB C 13 19.067 0.3 . 1 . . . A 150 ALA CB . 11458 1 1034 . 1 1 91 91 SER HA H 1 4.316 0.03 . 1 . . . A 154 SER HA . 11458 1 1035 . 1 1 91 91 SER HB2 H 1 3.762 0.03 . 1 . . . A 154 SER HB2 . 11458 1 1036 . 1 1 91 91 SER HB3 H 1 3.762 0.03 . 1 . . . A 154 SER HB3 . 11458 1 1037 . 1 1 91 91 SER C C 13 174.62 0.3 . 1 . . . A 154 SER C . 11458 1 1038 . 1 1 91 91 SER CA C 13 58.296 0.3 . 1 . . . A 154 SER CA . 11458 1 1039 . 1 1 91 91 SER CB C 13 63.572 0.3 . 1 . . . A 154 SER CB . 11458 1 1040 . 1 1 92 92 LEU H H 1 8.14 0.03 . 1 . . . A 152 LEU H . 11458 1 1041 . 1 1 92 92 LEU HA H 1 4.316 0.03 . 1 . . . A 152 LEU HA . 11458 1 1042 . 1 1 92 92 LEU HB2 H 1 1.511 0.03 . 2 . . . A 152 LEU HB2 . 11458 1 1043 . 1 1 92 92 LEU HB3 H 1 1.58 0.03 . 2 . . . A 152 LEU HB3 . 11458 1 1044 . 1 1 92 92 LEU HG H 1 1.535 0.03 . 1 . . . A 152 LEU HG . 11458 1 1045 . 1 1 92 92 LEU HD11 H 1 0.791 0.03 . 1 . . . A 152 LEU HD11 . 11458 1 1046 . 1 1 92 92 LEU HD12 H 1 0.791 0.03 . 1 . . . A 152 LEU HD12 . 11458 1 1047 . 1 1 92 92 LEU HD13 H 1 0.791 0.03 . 1 . . . A 152 LEU HD13 . 11458 1 1048 . 1 1 92 92 LEU HD21 H 1 0.732 0.03 . 1 . . . A 152 LEU HD21 . 11458 1 1049 . 1 1 92 92 LEU HD22 H 1 0.732 0.03 . 1 . . . A 152 LEU HD22 . 11458 1 1050 . 1 1 92 92 LEU HD23 H 1 0.732 0.03 . 1 . . . A 152 LEU HD23 . 11458 1 1051 . 1 1 92 92 LEU C C 13 177.515 0.3 . 1 . . . A 152 LEU C . 11458 1 1052 . 1 1 92 92 LEU CA C 13 55.366 0.3 . 1 . . . A 152 LEU CA . 11458 1 1053 . 1 1 92 92 LEU CB C 13 42.072 0.3 . 1 . . . A 152 LEU CB . 11458 1 1054 . 1 1 92 92 LEU CG C 13 27.061 0.3 . 1 . . . A 152 LEU CG . 11458 1 1055 . 1 1 92 92 LEU CD1 C 13 24.938 0.3 . 2 . . . A 152 LEU CD1 . 11458 1 1056 . 1 1 92 92 LEU CD2 C 13 23.148 0.3 . 2 . . . A 152 LEU CD2 . 11458 1 1057 . 1 1 92 92 LEU N N 15 123.461 0.3 . 1 . . . A 152 LEU N . 11458 1 1058 . 1 1 93 93 THR H H 1 7.946 0.03 . 1 . . . A 153 THR H . 11458 1 1059 . 1 1 93 93 THR HA H 1 4.34 0.03 . 1 . . . A 153 THR HA . 11458 1 1060 . 1 1 93 93 THR HB H 1 4.219 0.03 . 1 . . . A 153 THR HB . 11458 1 1061 . 1 1 93 93 THR HG21 H 1 1.086 0.03 . 1 . . . A 153 THR HG21 . 11458 1 1062 . 1 1 93 93 THR HG22 H 1 1.086 0.03 . 1 . . . A 153 THR HG22 . 11458 1 1063 . 1 1 93 93 THR HG23 H 1 1.086 0.03 . 1 . . . A 153 THR HG23 . 11458 1 1064 . 1 1 93 93 THR C C 13 174.454 0.3 . 1 . . . A 153 THR C . 11458 1 1065 . 1 1 93 93 THR CA C 13 61.438 0.3 . 1 . . . A 153 THR CA . 11458 1 1066 . 1 1 93 93 THR CB C 13 69.635 0.3 . 1 . . . A 153 THR CB . 11458 1 1067 . 1 1 93 93 THR CG2 C 13 21.427 0.3 . 1 . . . A 153 THR CG2 . 11458 1 1068 . 1 1 93 93 THR N N 15 112.396 0.3 . 1 . . . A 153 THR N . 11458 1 1069 . 1 1 94 94 SER H H 1 8.114 0.03 . 1 . . . A 157 SER H . 11458 1 1070 . 1 1 94 94 SER HA H 1 4.447 0.03 . 1 . . . A 157 SER HA . 11458 1 1071 . 1 1 94 94 SER HB2 H 1 3.808 0.03 . 1 . . . A 157 SER HB2 . 11458 1 1072 . 1 1 94 94 SER HB3 H 1 3.808 0.03 . 1 . . . A 157 SER HB3 . 11458 1 1073 . 1 1 94 94 SER C C 13 174.37 0.3 . 1 . . . A 157 SER C . 11458 1 1074 . 1 1 94 94 SER CA C 13 58.197 0.3 . 1 . . . A 157 SER CA . 11458 1 1075 . 1 1 94 94 SER CB C 13 63.929 0.3 . 1 . . . A 157 SER CB . 11458 1 1076 . 1 1 94 94 SER N N 15 117.3 0.3 . 1 . . . A 157 SER N . 11458 1 1077 . 1 1 95 95 GLY H H 1 8.169 0.03 . 1 . . . A 155 GLY H . 11458 1 1078 . 1 1 95 95 GLY C C 13 171.642 0.3 . 1 . . . A 155 GLY C . 11458 1 1079 . 1 1 95 95 GLY CA C 13 44.582 0.3 . 1 . . . A 155 GLY CA . 11458 1 1080 . 1 1 95 95 GLY N N 15 110.57 0.3 . 1 . . . A 155 GLY N . 11458 1 1081 . 1 1 96 96 PRO HA H 1 4.404 0.03 . 1 . . . A 156 PRO HA . 11458 1 1082 . 1 1 96 96 PRO HB2 H 1 2.199 0.03 . 1 . . . A 156 PRO HB2 . 11458 1 1083 . 1 1 96 96 PRO HB3 H 1 2.199 0.03 . 1 . . . A 156 PRO HB3 . 11458 1 1084 . 1 1 96 96 PRO HG2 H 1 1.906 0.03 . 1 . . . A 156 PRO HG2 . 11458 1 1085 . 1 1 96 96 PRO HG3 H 1 1.906 0.03 . 1 . . . A 156 PRO HG3 . 11458 1 1086 . 1 1 96 96 PRO HD2 H 1 3.552 0.03 . 2 . . . A 156 PRO HD2 . 11458 1 1087 . 1 1 96 96 PRO HD3 H 1 3.5 0.03 . 2 . . . A 156 PRO HD3 . 11458 1 1088 . 1 1 96 96 PRO CA C 13 63.238 0.3 . 1 . . . A 156 PRO CA . 11458 1 1089 . 1 1 96 96 PRO CB C 13 32.074 0.3 . 1 . . . A 156 PRO CB . 11458 1 1090 . 1 1 96 96 PRO CG C 13 26.918 0.3 . 1 . . . A 156 PRO CG . 11458 1 1091 . 1 1 96 96 PRO CD C 13 49.67 0.3 . 1 . . . A 156 PRO CD . 11458 1 stop_ save_