data_4109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4109 _Entry.Title ; Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-02-18 _Entry.Accession_date 1998-02-18 _Entry.Last_release_date 1999-02-02 _Entry.Original_release_date 1999-02-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ho Chen . A. . 4109 2 Mark Pfuhl . . . 4109 3 Ben Davis . . . 4109 4 Paul Driscoll . C. . 4109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1055 4109 '15N chemical shifts' 302 4109 '1H chemical shifts' 1921 4109 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 . . 1999-02-02 1998-02-18 original author . 4109 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4109 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99052118 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Chen, H. A., Pfuhl, M., Davis, B., and Driscoll, P. C., "Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1," J. Biomol. NMR 12, 457-458 (1998). ; _Citation.Title ; Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 12 _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 457 _Citation.Page_last 458 _Citation.Year 1998 _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 Ho Chen . A. . 4109 1 2 Mark Pfuhl . . . 4109 1 3 Ben Davis . . . 4109 1 4 Paul Driscoll . C. . 4109 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD2 4109 1 CD48 4109 1 'cell adhesion molecules' 4109 1 'T lymphocyte' 4109 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4109 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation 'Delaglio et.al, J. Biomol. NMR 6, 277-293, (1995).' _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4109 2 2 S Grzesiek S. . . 4109 2 3 'G W' Vuister G. W. . 4109 2 4 G Zhu G. . . 4109 2 5 J Pfeifer J. . . 4109 2 6 A Bax A. . . 4109 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CD2d1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CD2d1 _Assembly.Entry_ID 4109 _Assembly.ID 1 _Assembly.Name 'rat CD2 domain 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4109 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CD2d1 1 $CD2d1 . . . native . . . . . 4109 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CDC . 'Chain A, Cd2, N-Terminal Domain (1-99), Truncated Form' . . . . 4109 1 yes PDB 1HNG . 'Chain A, Cd2 (Rat)' . . . . 4109 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CD2d1 abbreviation 4109 1 'rat CD2 domain 1' system 4109 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cell adhesion molecule' 4109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD2d1 _Entity.Sf_category entity _Entity.Sf_framecode CD2d1 _Entity.Entry_ID 4109 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rat CD2 domain 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRDSGTVWGALGHGINLNIP NFQMTDDIDEVRWERGSTLV AEFKRKMKPFLKSGAFEILA NGDLKIKNLTRDDSGTYNVT VYSTNGTRILNKALDLRILE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; additional MET at N-terminus only residues 23-121 used in the sample studied (= domain 1) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A64 . "Engineering A Misfolded Form Of Rat Cd2" . . . . . 99.00 97 96.97 97.98 3.44e-60 . . . . 4109 1 2 no PDB 1A7B . "Engineering A Misfolded Form Of Cd2" . . . . . 99.00 97 96.97 97.98 3.44e-60 . . . . 4109 1 3 no PDB 1CDC . "Cd2, N-Terminal Domain (1-99), Truncated Form" . . . . . 99.00 99 98.99 100.00 8.44e-64 . . . . 4109 1 4 no PDB 1HNG . "Crystal Structure At 2.8 Angstroms Resolution Of A Soluble Form Of The Cell Adhesion Molecule Cd2" . . . . . 99.00 176 100.00 100.00 1.32e-64 . . . . 4109 1 5 no PDB 1T6W . "Rational Design Of A Calcium-Binding Adhesion Protein Nmr, 20 Structures" . . . . . 99.00 99 97.98 100.00 3.76e-63 . . . . 4109 1 6 no EMBL CAA28757 . "unnamed protein product [Rattus norvegicus]" . . . . . 99.00 344 98.99 100.00 1.19e-64 . . . . 4109 1 7 no GB AAH88164 . "Cd2 molecule [Rattus norvegicus]" . . . . . 99.00 344 100.00 100.00 2.29e-65 . . . . 4109 1 8 no GB ADI96088 . "Cd2 [synthetic construct]" . . . . . 99.00 344 98.99 100.00 1.19e-64 . . . . 4109 1 9 no GB EDL85525 . "rCG51754 [Rattus norvegicus]" . . . . . 99.00 344 100.00 100.00 2.29e-65 . . . . 4109 1 10 no REF NP_036962 . "T-cell surface antigen CD2 precursor [Rattus norvegicus]" . . . . . 99.00 344 98.99 100.00 1.19e-64 . . . . 4109 1 11 no SP P08921 . "RecName: Full=T-cell surface antigen CD2; AltName: Full=LFA-2; AltName: Full=LFA-3 receptor; AltName: Full=OX-34 antigen; AltNa" . . . . . 99.00 344 98.99 100.00 1.19e-64 . . . . 4109 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cell adhesion molecule' 4109 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CD2d1 abbreviation 4109 1 'rat CD2 domain 1' common 4109 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 -1 MET . 4109 1 2 23 ARG . 4109 1 3 24 ASP . 4109 1 4 25 SER . 4109 1 5 26 GLY . 4109 1 6 27 THR . 4109 1 7 28 VAL . 4109 1 8 29 TRP . 4109 1 9 30 GLY . 4109 1 10 31 ALA . 4109 1 11 32 LEU . 4109 1 12 33 GLY . 4109 1 13 34 HIS . 4109 1 14 35 GLY . 4109 1 15 36 ILE . 4109 1 16 37 ASN . 4109 1 17 38 LEU . 4109 1 18 39 ASN . 4109 1 19 40 ILE . 4109 1 20 41 PRO . 4109 1 21 42 ASN . 4109 1 22 43 PHE . 4109 1 23 44 GLN . 4109 1 24 45 MET . 4109 1 25 46 THR . 4109 1 26 47 ASP . 4109 1 27 48 ASP . 4109 1 28 49 ILE . 4109 1 29 50 ASP . 4109 1 30 51 GLU . 4109 1 31 52 VAL . 4109 1 32 53 ARG . 4109 1 33 54 TRP . 4109 1 34 55 GLU . 4109 1 35 56 ARG . 4109 1 36 57 GLY . 4109 1 37 58 SER . 4109 1 38 59 THR . 4109 1 39 60 LEU . 4109 1 40 61 VAL . 4109 1 41 62 ALA . 4109 1 42 63 GLU . 4109 1 43 64 PHE . 4109 1 44 65 LYS . 4109 1 45 66 ARG . 4109 1 46 67 LYS . 4109 1 47 68 MET . 4109 1 48 69 LYS . 4109 1 49 70 PRO . 4109 1 50 71 PHE . 4109 1 51 72 LEU . 4109 1 52 73 LYS . 4109 1 53 74 SER . 4109 1 54 75 GLY . 4109 1 55 76 ALA . 4109 1 56 77 PHE . 4109 1 57 78 GLU . 4109 1 58 79 ILE . 4109 1 59 80 LEU . 4109 1 60 81 ALA . 4109 1 61 82 ASN . 4109 1 62 83 GLY . 4109 1 63 84 ASP . 4109 1 64 85 LEU . 4109 1 65 86 LYS . 4109 1 66 87 ILE . 4109 1 67 88 LYS . 4109 1 68 89 ASN . 4109 1 69 90 LEU . 4109 1 70 91 THR . 4109 1 71 92 ARG . 4109 1 72 93 ASP . 4109 1 73 94 ASP . 4109 1 74 95 SER . 4109 1 75 96 GLY . 4109 1 76 97 THR . 4109 1 77 98 TYR . 4109 1 78 99 ASN . 4109 1 79 100 VAL . 4109 1 80 101 THR . 4109 1 81 102 VAL . 4109 1 82 103 TYR . 4109 1 83 104 SER . 4109 1 84 105 THR . 4109 1 85 106 ASN . 4109 1 86 107 GLY . 4109 1 87 108 THR . 4109 1 88 109 ARG . 4109 1 89 110 ILE . 4109 1 90 111 LEU . 4109 1 91 112 ASN . 4109 1 92 113 LYS . 4109 1 93 114 ALA . 4109 1 94 115 LEU . 4109 1 95 116 ASP . 4109 1 96 117 LEU . 4109 1 97 118 ARG . 4109 1 98 119 ILE . 4109 1 99 120 LEU . 4109 1 100 121 GLU . 4109 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4109 1 . ARG 2 2 4109 1 . ASP 3 3 4109 1 . SER 4 4 4109 1 . GLY 5 5 4109 1 . THR 6 6 4109 1 . VAL 7 7 4109 1 . TRP 8 8 4109 1 . GLY 9 9 4109 1 . ALA 10 10 4109 1 . LEU 11 11 4109 1 . GLY 12 12 4109 1 . HIS 13 13 4109 1 . GLY 14 14 4109 1 . ILE 15 15 4109 1 . ASN 16 16 4109 1 . LEU 17 17 4109 1 . ASN 18 18 4109 1 . ILE 19 19 4109 1 . PRO 20 20 4109 1 . ASN 21 21 4109 1 . PHE 22 22 4109 1 . GLN 23 23 4109 1 . MET 24 24 4109 1 . THR 25 25 4109 1 . ASP 26 26 4109 1 . ASP 27 27 4109 1 . ILE 28 28 4109 1 . ASP 29 29 4109 1 . GLU 30 30 4109 1 . VAL 31 31 4109 1 . ARG 32 32 4109 1 . TRP 33 33 4109 1 . GLU 34 34 4109 1 . ARG 35 35 4109 1 . GLY 36 36 4109 1 . SER 37 37 4109 1 . THR 38 38 4109 1 . LEU 39 39 4109 1 . VAL 40 40 4109 1 . ALA 41 41 4109 1 . GLU 42 42 4109 1 . PHE 43 43 4109 1 . LYS 44 44 4109 1 . ARG 45 45 4109 1 . LYS 46 46 4109 1 . MET 47 47 4109 1 . LYS 48 48 4109 1 . PRO 49 49 4109 1 . PHE 50 50 4109 1 . LEU 51 51 4109 1 . LYS 52 52 4109 1 . SER 53 53 4109 1 . GLY 54 54 4109 1 . ALA 55 55 4109 1 . PHE 56 56 4109 1 . GLU 57 57 4109 1 . ILE 58 58 4109 1 . LEU 59 59 4109 1 . ALA 60 60 4109 1 . ASN 61 61 4109 1 . GLY 62 62 4109 1 . ASP 63 63 4109 1 . LEU 64 64 4109 1 . LYS 65 65 4109 1 . ILE 66 66 4109 1 . LYS 67 67 4109 1 . ASN 68 68 4109 1 . LEU 69 69 4109 1 . THR 70 70 4109 1 . ARG 71 71 4109 1 . ASP 72 72 4109 1 . ASP 73 73 4109 1 . SER 74 74 4109 1 . GLY 75 75 4109 1 . THR 76 76 4109 1 . TYR 77 77 4109 1 . ASN 78 78 4109 1 . VAL 79 79 4109 1 . THR 80 80 4109 1 . VAL 81 81 4109 1 . TYR 82 82 4109 1 . SER 83 83 4109 1 . THR 84 84 4109 1 . ASN 85 85 4109 1 . GLY 86 86 4109 1 . THR 87 87 4109 1 . ARG 88 88 4109 1 . ILE 89 89 4109 1 . LEU 90 90 4109 1 . ASN 91 91 4109 1 . LYS 92 92 4109 1 . ALA 93 93 4109 1 . LEU 94 94 4109 1 . ASP 95 95 4109 1 . LEU 96 96 4109 1 . ARG 97 97 4109 1 . ILE 98 98 4109 1 . LEU 99 99 4109 1 . GLU 100 100 4109 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 4109 _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 $CD2d1 . 10117 . . 'Rattus rattus' rat . . Eukaryota Metazoa Rattus rattus . . . . T-lymphocyte . . . . . . . . . . . . . 'plasmamembrane, outside' . . 4109 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 4109 _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 $CD2d1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4109 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'rat CD2 domain 1' [U96%-13C;U96%-15N] . . 1 $CD2d1 . . 1.2 . . mM . . . . 4109 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4109 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4109 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.0 0.03 n/a 4109 1 temperature 298 0.1 K 4109 1 stop_ save_ save_sample_conditions_two _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_two _Sample_condition_list.Entry_ID 4109 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.03 n/a 4109 2 temperature 298 0.1 K 4109 2 stop_ save_ save_sample_conditions_three _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_three _Sample_condition_list.Entry_ID 4109 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.03 n/a 4109 3 temperature 298 0.1 K 4109 3 stop_ save_ ############################ # Computer software used # ############################ save_software_nmrPipe _Software.Sf_category software _Software.Sf_framecode software_nmrPipe _Software.Entry_ID 4109 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing of spectra' 4109 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_one 4109 1 stop_ save_ save_software_XEASY _Software.Sf_category software _Software.Sf_framecode software_XEASY _Software.Entry_ID 4109 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral analysis' 4109 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4109 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian UnityPlus . 600 . . . 4109 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 4109 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 4 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 5 CBCACOCAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 7 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 8 HC(C)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 9 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 10 '1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4109 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACOCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HC(C)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4109 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4109 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 4109 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 4109 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 4109 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4109 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4109 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 2 2 ARG N N 15 124.988 0.050 . 1 . . . . . . . . 4109 1 2 . 1 1 2 2 ARG H H 1 8.830 0.005 . 1 . . . . . . . . 4109 1 3 . 1 1 2 2 ARG CA C 13 56.411 0.050 . 1 . . . . . . . . 4109 1 4 . 1 1 2 2 ARG HA H 1 4.404 0.005 . 1 . . . . . . . . 4109 1 5 . 1 1 2 2 ARG CB C 13 32.958 0.050 . 1 . . . . . . . . 4109 1 6 . 1 1 2 2 ARG CG C 13 27.099 0.050 . 1 . . . . . . . . 4109 1 7 . 1 1 2 2 ARG CD C 13 43.450 0.050 . 1 . . . . . . . . 4109 1 8 . 1 1 2 2 ARG HB2 H 1 2.169 0.005 . 1 . . . . . . . . 4109 1 9 . 1 1 2 2 ARG HB3 H 1 2.169 0.005 . 1 . . . . . . . . 4109 1 10 . 1 1 2 2 ARG HG2 H 1 1.664 0.005 . 1 . . . . . . . . 4109 1 11 . 1 1 2 2 ARG HG3 H 1 1.664 0.005 . 1 . . . . . . . . 4109 1 12 . 1 1 2 2 ARG HD2 H 1 3.209 0.005 . 1 . . . . . . . . 4109 1 13 . 1 1 2 2 ARG HD3 H 1 3.209 0.005 . 1 . . . . . . . . 4109 1 14 . 1 1 3 3 ASP N N 15 122.521 0.050 . 1 . . . . . . . . 4109 1 15 . 1 1 3 3 ASP H H 1 8.748 0.005 . 1 . . . . . . . . 4109 1 16 . 1 1 3 3 ASP CA C 13 53.991 0.050 . 1 . . . . . . . . 4109 1 17 . 1 1 3 3 ASP HA H 1 4.713 0.005 . 1 . . . . . . . . 4109 1 18 . 1 1 3 3 ASP CB C 13 39.070 0.050 . 1 . . . . . . . . 4109 1 19 . 1 1 3 3 ASP HB2 H 1 2.914 0.005 . 2 . . . . . . . . 4109 1 20 . 1 1 3 3 ASP HB3 H 1 2.855 0.005 . 2 . . . . . . . . 4109 1 21 . 1 1 3 3 ASP CG C 13 177.331 0.050 . 1 . . . . . . . . 4109 1 22 . 1 1 4 4 SER N N 15 117.790 0.050 . 1 . . . . . . . . 4109 1 23 . 1 1 4 4 SER H H 1 8.670 0.005 . 1 . . . . . . . . 4109 1 24 . 1 1 4 4 SER CA C 13 59.027 0.050 . 1 . . . . . . . . 4109 1 25 . 1 1 4 4 SER HA H 1 4.588 0.005 . 1 . . . . . . . . 4109 1 26 . 1 1 4 4 SER CB C 13 64.117 0.050 . 1 . . . . . . . . 4109 1 27 . 1 1 4 4 SER HB2 H 1 3.952 0.005 . 1 . . . . . . . . 4109 1 28 . 1 1 4 4 SER HB3 H 1 3.952 0.005 . 1 . . . . . . . . 4109 1 29 . 1 1 5 5 GLY N N 15 111.031 0.050 . 1 . . . . . . . . 4109 1 30 . 1 1 5 5 GLY H H 1 8.379 0.005 . 1 . . . . . . . . 4109 1 31 . 1 1 5 5 GLY CA C 13 45.598 0.050 . 1 . . . . . . . . 4109 1 32 . 1 1 5 5 GLY HA2 H 1 4.171 0.005 . 1 . . . . . . . . 4109 1 33 . 1 1 5 5 GLY HA3 H 1 4.067 0.005 . 1 . . . . . . . . 4109 1 34 . 1 1 6 6 THR N N 15 118.733 0.050 . 1 . . . . . . . . 4109 1 35 . 1 1 6 6 THR H H 1 8.129 0.005 . 1 . . . . . . . . 4109 1 36 . 1 1 6 6 THR CA C 13 62.412 0.050 . 1 . . . . . . . . 4109 1 37 . 1 1 6 6 THR HA H 1 4.936 0.005 . 1 . . . . . . . . 4109 1 38 . 1 1 6 6 THR CB C 13 70.762 0.050 . 1 . . . . . . . . 4109 1 39 . 1 1 6 6 THR HB H 1 3.830 0.005 . 1 . . . . . . . . 4109 1 40 . 1 1 6 6 THR CG2 C 13 21.113 0.050 . 1 . . . . . . . . 4109 1 41 . 1 1 6 6 THR HG21 H 1 0.469 0.005 . 1 . . . . . . . . 4109 1 42 . 1 1 6 6 THR HG22 H 1 0.469 0.005 . 1 . . . . . . . . 4109 1 43 . 1 1 6 6 THR HG23 H 1 0.469 0.005 . 1 . . . . . . . . 4109 1 44 . 1 1 7 7 VAL N N 15 128.743 0.050 . 1 . . . . . . . . 4109 1 45 . 1 1 7 7 VAL H H 1 8.980 0.005 . 1 . . . . . . . . 4109 1 46 . 1 1 7 7 VAL CA C 13 60.954 0.050 . 1 . . . . . . . . 4109 1 47 . 1 1 7 7 VAL HA H 1 4.298 0.005 . 1 . . . . . . . . 4109 1 48 . 1 1 7 7 VAL CB C 13 34.679 0.050 . 1 . . . . . . . . 4109 1 49 . 1 1 7 7 VAL HB H 1 1.774 0.005 . 1 . . . . . . . . 4109 1 50 . 1 1 7 7 VAL CG1 C 13 21.035 0.050 . 2 . . . . . . . . 4109 1 51 . 1 1 7 7 VAL HG11 H 1 0.895 0.005 . 2 . . . . . . . . 4109 1 52 . 1 1 7 7 VAL HG12 H 1 0.895 0.005 . 2 . . . . . . . . 4109 1 53 . 1 1 7 7 VAL HG13 H 1 0.895 0.005 . 2 . . . . . . . . 4109 1 54 . 1 1 7 7 VAL CG2 C 13 21.607 0.050 . 2 . . . . . . . . 4109 1 55 . 1 1 7 7 VAL HG21 H 1 0.877 0.005 . 2 . . . . . . . . 4109 1 56 . 1 1 7 7 VAL HG22 H 1 0.877 0.005 . 2 . . . . . . . . 4109 1 57 . 1 1 7 7 VAL HG23 H 1 0.877 0.005 . 2 . . . . . . . . 4109 1 58 . 1 1 8 8 TRP N N 15 126.369 0.050 . 1 . . . . . . . . 4109 1 59 . 1 1 8 8 TRP H H 1 8.562 0.005 . 1 . . . . . . . . 4109 1 60 . 1 1 8 8 TRP CA C 13 55.900 0.050 . 1 . . . . . . . . 4109 1 61 . 1 1 8 8 TRP HA H 1 5.288 0.005 . 1 . . . . . . . . 4109 1 62 . 1 1 9 9 GLY N N 15 109.176 0.050 . 1 . . . . . . . . 4109 1 63 . 1 1 9 9 GLY H H 1 8.853 0.005 . 1 . . . . . . . . 4109 1 64 . 1 1 9 9 GLY CA C 13 44.046 0.050 . 1 . . . . . . . . 4109 1 65 . 1 1 9 9 GLY HA2 H 1 4.619 0.005 . 1 . . . . . . . . 4109 1 66 . 1 1 9 9 GLY HA3 H 1 3.252 0.005 . 1 . . . . . . . . 4109 1 67 . 1 1 10 10 ALA N N 15 124.671 0.050 . 1 . . . . . . . . 4109 1 68 . 1 1 10 10 ALA H H 1 8.341 0.005 . 1 . . . . . . . . 4109 1 69 . 1 1 10 10 ALA CA C 13 50.253 0.050 . 1 . . . . . . . . 4109 1 70 . 1 1 10 10 ALA HA H 1 4.860 0.005 . 1 . . . . . . . . 4109 1 71 . 1 1 10 10 ALA CB C 13 20.465 0.050 . 1 . . . . . . . . 4109 1 72 . 1 1 10 10 ALA HB1 H 1 1.088 0.005 . 1 . . . . . . . . 4109 1 73 . 1 1 10 10 ALA HB2 H 1 1.088 0.005 . 1 . . . . . . . . 4109 1 74 . 1 1 10 10 ALA HB3 H 1 1.088 0.005 . 1 . . . . . . . . 4109 1 75 . 1 1 11 11 LEU N N 15 122.853 0.050 . 1 . . . . . . . . 4109 1 76 . 1 1 11 11 LEU H H 1 8.608 0.005 . 1 . . . . . . . . 4109 1 77 . 1 1 11 11 LEU CA C 13 56.149 0.050 . 1 . . . . . . . . 4109 1 78 . 1 1 11 11 LEU HA H 1 3.788 0.005 . 1 . . . . . . . . 4109 1 79 . 1 1 11 11 LEU CB C 13 41.969 0.050 . 1 . . . . . . . . 4109 1 80 . 1 1 11 11 LEU CG C 13 26.575 0.050 . 1 . . . . . . . . 4109 1 81 . 1 1 11 11 LEU HG H 1 1.717 0.005 . 1 . . . . . . . . 4109 1 82 . 1 1 11 11 LEU CD1 C 13 25.210 0.050 . 2 . . . . . . . . 4109 1 83 . 1 1 11 11 LEU HD11 H 1 0.938 0.005 . 2 . . . . . . . . 4109 1 84 . 1 1 11 11 LEU HD12 H 1 0.938 0.005 . 2 . . . . . . . . 4109 1 85 . 1 1 11 11 LEU HD13 H 1 0.938 0.005 . 2 . . . . . . . . 4109 1 86 . 1 1 11 11 LEU CD2 C 13 24.454 0.050 . 2 . . . . . . . . 4109 1 87 . 1 1 11 11 LEU HD21 H 1 0.781 0.005 . 2 . . . . . . . . 4109 1 88 . 1 1 11 11 LEU HD22 H 1 0.781 0.005 . 2 . . . . . . . . 4109 1 89 . 1 1 11 11 LEU HD23 H 1 0.781 0.005 . 2 . . . . . . . . 4109 1 90 . 1 1 11 11 LEU HB2 H 1 1.616 0.005 . 1 . . . . . . . . 4109 1 91 . 1 1 11 11 LEU HB3 H 1 1.616 0.005 . 1 . . . . . . . . 4109 1 92 . 1 1 12 12 GLY N N 15 112.365 0.050 . 1 . . . . . . . . 4109 1 93 . 1 1 12 12 GLY H H 1 9.387 0.005 . 1 . . . . . . . . 4109 1 94 . 1 1 12 12 GLY CA C 13 45.646 0.050 . 1 . . . . . . . . 4109 1 95 . 1 1 12 12 GLY HA2 H 1 4.066 0.005 . 1 . . . . . . . . 4109 1 96 . 1 1 12 12 GLY HA3 H 1 4.066 0.005 . 1 . . . . . . . . 4109 1 97 . 1 1 13 13 HIS N N 15 117.996 0.050 . 1 . . . . . . . . 4109 1 98 . 1 1 13 13 HIS H H 1 7.954 0.005 . 1 . . . . . . . . 4109 1 99 . 1 1 13 13 HIS CA C 13 53.803 0.050 . 1 . . . . . . . . 4109 1 100 . 1 1 13 13 HIS HA H 1 4.919 0.005 . 1 . . . . . . . . 4109 1 101 . 1 1 13 13 HIS CB C 13 31.233 0.050 . 1 . . . . . . . . 4109 1 102 . 1 1 13 13 HIS HB2 H 1 3.412 0.005 . 2 . . . . . . . . 4109 1 103 . 1 1 13 13 HIS HB3 H 1 3.301 0.005 . 2 . . . . . . . . 4109 1 104 . 1 1 14 14 GLY N N 15 109.858 0.050 . 1 . . . . . . . . 4109 1 105 . 1 1 14 14 GLY H H 1 8.660 0.005 . 1 . . . . . . . . 4109 1 106 . 1 1 14 14 GLY CA C 13 44.902 0.050 . 1 . . . . . . . . 4109 1 107 . 1 1 14 14 GLY HA2 H 1 4.692 0.005 . 1 . . . . . . . . 4109 1 108 . 1 1 14 14 GLY HA3 H 1 3.542 0.005 . 1 . . . . . . . . 4109 1 109 . 1 1 15 15 ILE N N 15 120.348 0.050 . 1 . . . . . . . . 4109 1 110 . 1 1 15 15 ILE H H 1 8.640 0.005 . 1 . . . . . . . . 4109 1 111 . 1 1 15 15 ILE CA C 13 59.356 0.050 . 1 . . . . . . . . 4109 1 112 . 1 1 15 15 ILE HA H 1 4.505 0.005 . 1 . . . . . . . . 4109 1 113 . 1 1 15 15 ILE CB C 13 41.908 0.050 . 1 . . . . . . . . 4109 1 114 . 1 1 15 15 ILE HB H 1 1.793 0.005 . 1 . . . . . . . . 4109 1 115 . 1 1 15 15 ILE CG1 C 13 29.044 0.050 . 1 . . . . . . . . 4109 1 116 . 1 1 15 15 ILE HG12 H 1 1.388 0.005 . 2 . . . . . . . . 4109 1 117 . 1 1 15 15 ILE HG13 H 1 0.997 0.005 . 2 . . . . . . . . 4109 1 118 . 1 1 15 15 ILE CG2 C 13 18.044 0.050 . 1 . . . . . . . . 4109 1 119 . 1 1 15 15 ILE HG21 H 1 0.687 0.005 . 1 . . . . . . . . 4109 1 120 . 1 1 15 15 ILE HG22 H 1 0.687 0.005 . 1 . . . . . . . . 4109 1 121 . 1 1 15 15 ILE HG23 H 1 0.687 0.005 . 1 . . . . . . . . 4109 1 122 . 1 1 15 15 ILE CD1 C 13 14.737 0.050 . 1 . . . . . . . . 4109 1 123 . 1 1 15 15 ILE HD11 H 1 0.839 0.005 . 1 . . . . . . . . 4109 1 124 . 1 1 15 15 ILE HD12 H 1 0.839 0.005 . 1 . . . . . . . . 4109 1 125 . 1 1 15 15 ILE HD13 H 1 0.839 0.005 . 1 . . . . . . . . 4109 1 126 . 1 1 16 16 ASN N N 15 124.111 0.050 . 1 . . . . . . . . 4109 1 127 . 1 1 16 16 ASN H H 1 7.871 0.005 . 1 . . . . . . . . 4109 1 128 . 1 1 16 16 ASN CA C 13 51.239 0.050 . 1 . . . . . . . . 4109 1 129 . 1 1 16 16 ASN HA H 1 5.255 0.005 . 1 . . . . . . . . 4109 1 130 . 1 1 16 16 ASN CB C 13 39.070 0.050 . 1 . . . . . . . . 4109 1 131 . 1 1 16 16 ASN HB2 H 1 2.530 0.005 . 2 . . . . . . . . 4109 1 132 . 1 1 16 16 ASN HB3 H 1 2.282 0.005 . 2 . . . . . . . . 4109 1 133 . 1 1 16 16 ASN CG C 13 175.858 0.050 . 1 . . . . . . . . 4109 1 134 . 1 1 17 17 LEU N N 15 125.509 0.050 . 1 . . . . . . . . 4109 1 135 . 1 1 17 17 LEU H H 1 9.300 0.005 . 1 . . . . . . . . 4109 1 136 . 1 1 17 17 LEU CA C 13 54.027 0.050 . 1 . . . . . . . . 4109 1 137 . 1 1 17 17 LEU HA H 1 4.274 0.005 . 1 . . . . . . . . 4109 1 138 . 1 1 17 17 LEU CB C 13 41.503 0.050 . 1 . . . . . . . . 4109 1 139 . 1 1 17 17 LEU CD1 C 13 24.161 0.050 . 2 . . . . . . . . 4109 1 140 . 1 1 17 17 LEU HD11 H 1 0.442 0.005 . 2 . . . . . . . . 4109 1 141 . 1 1 17 17 LEU HD12 H 1 0.442 0.005 . 2 . . . . . . . . 4109 1 142 . 1 1 17 17 LEU HD13 H 1 0.442 0.005 . 2 . . . . . . . . 4109 1 143 . 1 1 17 17 LEU CD2 C 13 25.547 0.050 . 2 . . . . . . . . 4109 1 144 . 1 1 17 17 LEU HD21 H 1 0.071 0.005 . 2 . . . . . . . . 4109 1 145 . 1 1 17 17 LEU HD22 H 1 0.071 0.005 . 2 . . . . . . . . 4109 1 146 . 1 1 17 17 LEU HD23 H 1 0.071 0.005 . 2 . . . . . . . . 4109 1 147 . 1 1 17 17 LEU HB2 H 1 1.201 0.005 . 1 . . . . . . . . 4109 1 148 . 1 1 17 17 LEU HB3 H 1 1.201 0.005 . 1 . . . . . . . . 4109 1 149 . 1 1 18 18 ASN N N 15 121.033 0.050 . 1 . . . . . . . . 4109 1 150 . 1 1 18 18 ASN H H 1 8.201 0.005 . 1 . . . . . . . . 4109 1 151 . 1 1 18 18 ASN CA C 13 51.770 0.050 . 1 . . . . . . . . 4109 1 152 . 1 1 18 18 ASN HA H 1 4.657 0.005 . 1 . . . . . . . . 4109 1 153 . 1 1 18 18 ASN CB C 13 40.550 0.050 . 1 . . . . . . . . 4109 1 154 . 1 1 18 18 ASN HB2 H 1 2.626 0.005 . 2 . . . . . . . . 4109 1 155 . 1 1 18 18 ASN HB3 H 1 2.312 0.005 . 2 . . . . . . . . 4109 1 156 . 1 1 18 18 ASN CG C 13 176.074 0.050 . 1 . . . . . . . . 4109 1 157 . 1 1 19 19 ILE N N 15 122.588 0.050 . 1 . . . . . . . . 4109 1 158 . 1 1 19 19 ILE H H 1 7.659 0.005 . 1 . . . . . . . . 4109 1 159 . 1 1 19 19 ILE CA C 13 60.063 0.050 . 1 . . . . . . . . 4109 1 160 . 1 1 19 19 ILE HA H 1 3.995 0.005 . 1 . . . . . . . . 4109 1 161 . 1 1 19 19 ILE CB C 13 37.836 0.050 . 1 . . . . . . . . 4109 1 162 . 1 1 19 19 ILE HB H 1 1.849 0.005 . 1 . . . . . . . . 4109 1 163 . 1 1 19 19 ILE CG1 C 13 28.659 0.050 . 1 . . . . . . . . 4109 1 164 . 1 1 19 19 ILE HG12 H 1 1.966 0.005 . 2 . . . . . . . . 4109 1 165 . 1 1 19 19 ILE HG13 H 1 0.664 0.005 . 2 . . . . . . . . 4109 1 166 . 1 1 19 19 ILE CG2 C 13 18.205 0.050 . 1 . . . . . . . . 4109 1 167 . 1 1 19 19 ILE HG21 H 1 0.372 0.005 . 1 . . . . . . . . 4109 1 168 . 1 1 19 19 ILE HG22 H 1 0.372 0.005 . 1 . . . . . . . . 4109 1 169 . 1 1 19 19 ILE HG23 H 1 0.372 0.005 . 1 . . . . . . . . 4109 1 170 . 1 1 19 19 ILE CD1 C 13 13.068 0.050 . 1 . . . . . . . . 4109 1 171 . 1 1 19 19 ILE HD11 H 1 0.451 0.005 . 1 . . . . . . . . 4109 1 172 . 1 1 19 19 ILE HD12 H 1 0.451 0.005 . 1 . . . . . . . . 4109 1 173 . 1 1 19 19 ILE HD13 H 1 0.451 0.005 . 1 . . . . . . . . 4109 1 174 . 1 1 20 20 PRO CA C 13 63.390 0.050 . 1 . . . . . . . . 4109 1 175 . 1 1 20 20 PRO HA H 1 4.313 0.005 . 1 . . . . . . . . 4109 1 176 . 1 1 20 20 PRO CB C 13 32.285 0.050 . 1 . . . . . . . . 4109 1 177 . 1 1 20 20 PRO HB2 H 1 2.283 0.005 . 2 . . . . . . . . 4109 1 178 . 1 1 20 20 PRO HB3 H 1 1.819 0.005 . 2 . . . . . . . . 4109 1 179 . 1 1 20 20 PRO CG C 13 27.287 0.050 . 1 . . . . . . . . 4109 1 180 . 1 1 20 20 PRO HG2 H 1 2.217 0.005 . 2 . . . . . . . . 4109 1 181 . 1 1 20 20 PRO HG3 H 1 2.096 0.005 . 2 . . . . . . . . 4109 1 182 . 1 1 20 20 PRO CD C 13 50.509 0.050 . 1 . . . . . . . . 4109 1 183 . 1 1 20 20 PRO HD2 H 1 4.156 0.005 . 2 . . . . . . . . 4109 1 184 . 1 1 20 20 PRO HD3 H 1 3.220 0.005 . 2 . . . . . . . . 4109 1 185 . 1 1 21 21 ASN N N 15 117.410 0.050 . 1 . . . . . . . . 4109 1 186 . 1 1 21 21 ASN H H 1 8.862 0.005 . 1 . . . . . . . . 4109 1 187 . 1 1 21 21 ASN CA C 13 54.325 0.050 . 1 . . . . . . . . 4109 1 188 . 1 1 21 21 ASN HA H 1 4.268 0.005 . 1 . . . . . . . . 4109 1 189 . 1 1 21 21 ASN CB C 13 37.919 0.050 . 1 . . . . . . . . 4109 1 190 . 1 1 21 21 ASN HB2 H 1 2.980 0.005 . 2 . . . . . . . . 4109 1 191 . 1 1 21 21 ASN HB3 H 1 2.685 0.005 . 2 . . . . . . . . 4109 1 192 . 1 1 21 21 ASN CG C 13 178.580 0.050 . 1 . . . . . . . . 4109 1 193 . 1 1 22 22 PHE N N 15 118.304 0.050 . 1 . . . . . . . . 4109 1 194 . 1 1 22 22 PHE H H 1 7.488 0.005 . 1 . . . . . . . . 4109 1 195 . 1 1 22 22 PHE CA C 13 57.503 0.050 . 1 . . . . . . . . 4109 1 196 . 1 1 22 22 PHE HA H 1 4.737 0.005 . 1 . . . . . . . . 4109 1 197 . 1 1 23 23 GLN N N 15 127.024 0.050 . 1 . . . . . . . . 4109 1 198 . 1 1 23 23 GLN H H 1 7.055 0.005 . 1 . . . . . . . . 4109 1 199 . 1 1 23 23 GLN CA C 13 53.629 0.050 . 1 . . . . . . . . 4109 1 200 . 1 1 23 23 GLN HA H 1 4.191 0.005 . 1 . . . . . . . . 4109 1 201 . 1 1 23 23 GLN CB C 13 31.197 0.050 . 1 . . . . . . . . 4109 1 202 . 1 1 23 23 GLN HB2 H 1 1.697 0.005 . 2 . . . . . . . . 4109 1 203 . 1 1 23 23 GLN HB3 H 1 1.600 0.005 . 2 . . . . . . . . 4109 1 204 . 1 1 23 23 GLN CG C 13 33.340 0.050 . 1 . . . . . . . . 4109 1 205 . 1 1 23 23 GLN CD C 13 180.614 0.050 . 1 . . . . . . . . 4109 1 206 . 1 1 23 23 GLN HG2 H 1 2.091 0.005 . 1 . . . . . . . . 4109 1 207 . 1 1 23 23 GLN HG3 H 1 2.091 0.005 . 1 . . . . . . . . 4109 1 208 . 1 1 24 24 MET N N 15 124.185 0.050 . 1 . . . . . . . . 4109 1 209 . 1 1 24 24 MET H H 1 8.437 0.005 . 1 . . . . . . . . 4109 1 210 . 1 1 24 24 MET CA C 13 55.547 0.050 . 1 . . . . . . . . 4109 1 211 . 1 1 24 24 MET HA H 1 4.054 0.005 . 1 . . . . . . . . 4109 1 212 . 1 1 24 24 MET CG C 13 31.763 0.050 . 1 . . . . . . . . 4109 1 213 . 1 1 24 24 MET HG2 H 1 2.732 0.005 . 2 . . . . . . . . 4109 1 214 . 1 1 24 24 MET HG3 H 1 2.333 0.005 . 2 . . . . . . . . 4109 1 215 . 1 1 25 25 THR N N 15 116.568 0.050 . 1 . . . . . . . . 4109 1 216 . 1 1 25 25 THR H H 1 6.826 0.005 . 1 . . . . . . . . 4109 1 217 . 1 1 25 25 THR CA C 13 59.939 0.050 . 1 . . . . . . . . 4109 1 218 . 1 1 25 25 THR HA H 1 4.675 0.005 . 1 . . . . . . . . 4109 1 219 . 1 1 25 25 THR CB C 13 72.575 0.050 . 1 . . . . . . . . 4109 1 220 . 1 1 25 25 THR HB H 1 4.456 0.005 . 1 . . . . . . . . 4109 1 221 . 1 1 25 25 THR CG2 C 13 21.712 0.050 . 1 . . . . . . . . 4109 1 222 . 1 1 25 25 THR HG21 H 1 1.120 0.005 . 1 . . . . . . . . 4109 1 223 . 1 1 25 25 THR HG22 H 1 1.120 0.005 . 1 . . . . . . . . 4109 1 224 . 1 1 25 25 THR HG23 H 1 1.120 0.005 . 1 . . . . . . . . 4109 1 225 . 1 1 26 26 ASP N N 15 118.223 0.050 . 1 . . . . . . . . 4109 1 226 . 1 1 26 26 ASP H H 1 8.870 0.005 . 1 . . . . . . . . 4109 1 227 . 1 1 26 26 ASP CA C 13 55.455 0.050 . 1 . . . . . . . . 4109 1 228 . 1 1 26 26 ASP HA H 1 4.510 0.005 . 1 . . . . . . . . 4109 1 229 . 1 1 26 26 ASP CB C 13 39.199 0.050 . 1 . . . . . . . . 4109 1 230 . 1 1 26 26 ASP HB2 H 1 2.898 0.005 . 2 . . . . . . . . 4109 1 231 . 1 1 26 26 ASP HB3 H 1 2.764 0.005 . 2 . . . . . . . . 4109 1 232 . 1 1 26 26 ASP CG C 13 177.331 0.050 . 1 . . . . . . . . 4109 1 233 . 1 1 27 27 ASP N N 15 116.652 0.050 . 1 . . . . . . . . 4109 1 234 . 1 1 27 27 ASP H H 1 8.082 0.005 . 1 . . . . . . . . 4109 1 235 . 1 1 27 27 ASP CA C 13 53.531 0.050 . 1 . . . . . . . . 4109 1 236 . 1 1 27 27 ASP HA H 1 4.759 0.005 . 1 . . . . . . . . 4109 1 237 . 1 1 27 27 ASP CB C 13 39.594 0.050 . 1 . . . . . . . . 4109 1 238 . 1 1 27 27 ASP HB2 H 1 2.781 0.005 . 2 . . . . . . . . 4109 1 239 . 1 1 27 27 ASP HB3 H 1 2.691 0.005 . 2 . . . . . . . . 4109 1 240 . 1 1 27 27 ASP CG C 13 177.700 0.050 . 1 . . . . . . . . 4109 1 241 . 1 1 28 28 ILE N N 15 120.210 0.050 . 1 . . . . . . . . 4109 1 242 . 1 1 28 28 ILE H H 1 7.573 0.005 . 1 . . . . . . . . 4109 1 243 . 1 1 28 28 ILE CA C 13 59.155 0.050 . 1 . . . . . . . . 4109 1 244 . 1 1 28 28 ILE HA H 1 4.206 0.005 . 1 . . . . . . . . 4109 1 245 . 1 1 28 28 ILE CB C 13 36.071 0.050 . 1 . . . . . . . . 4109 1 246 . 1 1 28 28 ILE HB H 1 2.666 0.005 . 1 . . . . . . . . 4109 1 247 . 1 1 28 28 ILE CG1 C 13 27.111 0.050 . 1 . . . . . . . . 4109 1 248 . 1 1 28 28 ILE HG12 H 1 1.974 0.005 . 2 . . . . . . . . 4109 1 249 . 1 1 28 28 ILE HG13 H 1 1.640 0.005 . 2 . . . . . . . . 4109 1 250 . 1 1 28 28 ILE CG2 C 13 18.720 0.050 . 1 . . . . . . . . 4109 1 251 . 1 1 28 28 ILE HG21 H 1 1.009 0.005 . 1 . . . . . . . . 4109 1 252 . 1 1 28 28 ILE HG22 H 1 1.009 0.005 . 1 . . . . . . . . 4109 1 253 . 1 1 28 28 ILE HG23 H 1 1.009 0.005 . 1 . . . . . . . . 4109 1 254 . 1 1 28 28 ILE CD1 C 13 9.976 0.050 . 1 . . . . . . . . 4109 1 255 . 1 1 28 28 ILE HD11 H 1 0.839 0.005 . 1 . . . . . . . . 4109 1 256 . 1 1 28 28 ILE HD12 H 1 0.839 0.005 . 1 . . . . . . . . 4109 1 257 . 1 1 28 28 ILE HD13 H 1 0.839 0.005 . 1 . . . . . . . . 4109 1 258 . 1 1 29 29 ASP N N 15 126.314 0.050 . 1 . . . . . . . . 4109 1 259 . 1 1 29 29 ASP H H 1 9.047 0.005 . 1 . . . . . . . . 4109 1 260 . 1 1 29 29 ASP CA C 13 54.351 0.050 . 1 . . . . . . . . 4109 1 261 . 1 1 29 29 ASP HA H 1 4.929 0.005 . 1 . . . . . . . . 4109 1 262 . 1 1 29 29 ASP CB C 13 43.622 0.050 . 1 . . . . . . . . 4109 1 263 . 1 1 29 29 ASP CG C 13 175.685 0.050 . 1 . . . . . . . . 4109 1 264 . 1 1 29 29 ASP HB2 H 1 2.501 0.005 . 1 . . . . . . . . 4109 1 265 . 1 1 29 29 ASP HB3 H 1 2.501 0.005 . 1 . . . . . . . . 4109 1 266 . 1 1 30 30 GLU N N 15 116.643 0.050 . 1 . . . . . . . . 4109 1 267 . 1 1 30 30 GLU H H 1 7.802 0.005 . 1 . . . . . . . . 4109 1 268 . 1 1 30 30 GLU CA C 13 54.294 0.050 . 1 . . . . . . . . 4109 1 269 . 1 1 30 30 GLU HA H 1 5.679 0.005 . 1 . . . . . . . . 4109 1 270 . 1 1 30 30 GLU CB C 13 33.123 0.050 . 1 . . . . . . . . 4109 1 271 . 1 1 30 30 GLU HB2 H 1 2.161 0.005 . 2 . . . . . . . . 4109 1 272 . 1 1 30 30 GLU HB3 H 1 1.948 0.005 . 2 . . . . . . . . 4109 1 273 . 1 1 30 30 GLU CG C 13 33.233 0.050 . 1 . . . . . . . . 4109 1 274 . 1 1 30 30 GLU HG2 H 1 2.682 0.005 . 2 . . . . . . . . 4109 1 275 . 1 1 30 30 GLU HG3 H 1 2.131 0.005 . 2 . . . . . . . . 4109 1 276 . 1 1 30 30 GLU CD C 13 178.069 0.050 . 1 . . . . . . . . 4109 1 277 . 1 1 31 31 VAL N N 15 126.410 0.050 . 1 . . . . . . . . 4109 1 278 . 1 1 31 31 VAL H H 1 9.112 0.005 . 1 . . . . . . . . 4109 1 279 . 1 1 31 31 VAL CA C 13 62.144 0.050 . 1 . . . . . . . . 4109 1 280 . 1 1 31 31 VAL HA H 1 4.690 0.005 . 1 . . . . . . . . 4109 1 281 . 1 1 31 31 VAL CB C 13 35.540 0.050 . 1 . . . . . . . . 4109 1 282 . 1 1 31 31 VAL HB H 1 2.135 0.005 . 1 . . . . . . . . 4109 1 283 . 1 1 31 31 VAL CG1 C 13 21.090 0.050 . 2 . . . . . . . . 4109 1 284 . 1 1 31 31 VAL HG11 H 1 0.927 0.005 . 2 . . . . . . . . 4109 1 285 . 1 1 31 31 VAL HG12 H 1 0.927 0.005 . 2 . . . . . . . . 4109 1 286 . 1 1 31 31 VAL HG13 H 1 0.927 0.005 . 2 . . . . . . . . 4109 1 287 . 1 1 31 31 VAL CG2 C 13 21.834 0.050 . 2 . . . . . . . . 4109 1 288 . 1 1 31 31 VAL HG21 H 1 0.826 0.005 . 2 . . . . . . . . 4109 1 289 . 1 1 31 31 VAL HG22 H 1 0.826 0.005 . 2 . . . . . . . . 4109 1 290 . 1 1 31 31 VAL HG23 H 1 0.826 0.005 . 2 . . . . . . . . 4109 1 291 . 1 1 32 32 ARG N N 15 128.751 0.050 . 1 . . . . . . . . 4109 1 292 . 1 1 32 32 ARG H H 1 9.413 0.005 . 1 . . . . . . . . 4109 1 293 . 1 1 32 32 ARG CA C 13 55.539 0.050 . 1 . . . . . . . . 4109 1 294 . 1 1 32 32 ARG HA H 1 5.098 0.005 . 1 . . . . . . . . 4109 1 295 . 1 1 32 32 ARG CB C 13 34.097 0.050 . 1 . . . . . . . . 4109 1 296 . 1 1 32 32 ARG CG C 13 28.218 0.050 . 1 . . . . . . . . 4109 1 297 . 1 1 32 32 ARG HG2 H 1 1.673 0.005 . 2 . . . . . . . . 4109 1 298 . 1 1 32 32 ARG HG3 H 1 1.412 0.005 . 2 . . . . . . . . 4109 1 299 . 1 1 32 32 ARG CD C 13 43.900 0.050 . 1 . . . . . . . . 4109 1 300 . 1 1 32 32 ARG HD2 H 1 3.156 0.005 . 2 . . . . . . . . 4109 1 301 . 1 1 32 32 ARG HD3 H 1 3.048 0.005 . 2 . . . . . . . . 4109 1 302 . 1 1 32 32 ARG HB2 H 1 1.982 0.005 . 1 . . . . . . . . 4109 1 303 . 1 1 32 32 ARG HB3 H 1 1.982 0.005 . 1 . . . . . . . . 4109 1 304 . 1 1 33 33 TRP N N 15 125.894 0.050 . 1 . . . . . . . . 4109 1 305 . 1 1 33 33 TRP H H 1 9.455 0.005 . 1 . . . . . . . . 4109 1 306 . 1 1 33 33 TRP CA C 13 56.552 0.050 . 1 . . . . . . . . 4109 1 307 . 1 1 33 33 TRP HA H 1 5.419 0.005 . 1 . . . . . . . . 4109 1 308 . 1 1 33 33 TRP CB C 13 32.317 0.050 . 1 . . . . . . . . 4109 1 309 . 1 1 33 33 TRP HB2 H 1 3.198 0.005 . 2 . . . . . . . . 4109 1 310 . 1 1 33 33 TRP HB3 H 1 2.965 0.005 . 2 . . . . . . . . 4109 1 311 . 1 1 34 34 GLU N N 15 123.241 0.050 . 1 . . . . . . . . 4109 1 312 . 1 1 34 34 GLU H H 1 9.573 0.005 . 1 . . . . . . . . 4109 1 313 . 1 1 34 34 GLU CA C 13 54.273 0.050 . 1 . . . . . . . . 4109 1 314 . 1 1 34 34 GLU HA H 1 5.254 0.005 . 1 . . . . . . . . 4109 1 315 . 1 1 34 34 GLU CB C 13 33.010 0.050 . 1 . . . . . . . . 4109 1 316 . 1 1 34 34 GLU CG C 13 33.738 0.050 . 1 . . . . . . . . 4109 1 317 . 1 1 34 34 GLU HG2 H 1 2.317 0.005 . 2 . . . . . . . . 4109 1 318 . 1 1 34 34 GLU HG3 H 1 2.089 0.005 . 2 . . . . . . . . 4109 1 319 . 1 1 34 34 GLU CD C 13 178.885 0.050 . 1 . . . . . . . . 4109 1 320 . 1 1 34 34 GLU HB2 H 1 1.909 0.005 . 1 . . . . . . . . 4109 1 321 . 1 1 34 34 GLU HB3 H 1 1.909 0.005 . 1 . . . . . . . . 4109 1 322 . 1 1 35 35 ARG N N 15 124.615 0.050 . 1 . . . . . . . . 4109 1 323 . 1 1 35 35 ARG H H 1 8.730 0.005 . 1 . . . . . . . . 4109 1 324 . 1 1 35 35 ARG CA C 13 55.081 0.050 . 1 . . . . . . . . 4109 1 325 . 1 1 35 35 ARG HA H 1 4.530 0.005 . 1 . . . . . . . . 4109 1 326 . 1 1 35 35 ARG CB C 13 31.094 0.050 . 1 . . . . . . . . 4109 1 327 . 1 1 35 35 ARG HB2 H 1 1.543 0.005 . 2 . . . . . . . . 4109 1 328 . 1 1 35 35 ARG HB3 H 1 1.005 0.005 . 2 . . . . . . . . 4109 1 329 . 1 1 35 35 ARG CG C 13 26.795 0.050 . 1 . . . . . . . . 4109 1 330 . 1 1 35 35 ARG HG2 H 1 1.054 0.005 . 2 . . . . . . . . 4109 1 331 . 1 1 35 35 ARG HG3 H 1 0.916 0.005 . 2 . . . . . . . . 4109 1 332 . 1 1 35 35 ARG CD C 13 43.271 0.050 . 1 . . . . . . . . 4109 1 333 . 1 1 35 35 ARG HD2 H 1 2.967 0.005 . 2 . . . . . . . . 4109 1 334 . 1 1 35 35 ARG HD3 H 1 2.789 0.005 . 2 . . . . . . . . 4109 1 335 . 1 1 36 36 GLY N N 15 119.838 0.050 . 1 . . . . . . . . 4109 1 336 . 1 1 36 36 GLY H H 1 8.873 0.005 . 1 . . . . . . . . 4109 1 337 . 1 1 36 36 GLY CA C 13 47.510 0.050 . 1 . . . . . . . . 4109 1 338 . 1 1 36 36 GLY HA2 H 1 4.025 0.005 . 1 . . . . . . . . 4109 1 339 . 1 1 36 36 GLY HA3 H 1 3.569 0.005 . 1 . . . . . . . . 4109 1 340 . 1 1 37 37 SER N N 15 122.814 0.050 . 1 . . . . . . . . 4109 1 341 . 1 1 37 37 SER H H 1 8.823 0.005 . 1 . . . . . . . . 4109 1 342 . 1 1 37 37 SER CA C 13 57.850 0.050 . 1 . . . . . . . . 4109 1 343 . 1 1 37 37 SER HA H 1 4.572 0.005 . 1 . . . . . . . . 4109 1 344 . 1 1 37 37 SER CB C 13 63.593 0.050 . 1 . . . . . . . . 4109 1 345 . 1 1 37 37 SER HB2 H 1 3.981 0.005 . 2 . . . . . . . . 4109 1 346 . 1 1 37 37 SER HB3 H 1 3.824 0.005 . 2 . . . . . . . . 4109 1 347 . 1 1 38 38 THR N N 15 120.580 0.050 . 1 . . . . . . . . 4109 1 348 . 1 1 38 38 THR H H 1 8.242 0.005 . 1 . . . . . . . . 4109 1 349 . 1 1 38 38 THR CB C 13 70.141 0.050 . 1 . . . . . . . . 4109 1 350 . 1 1 38 38 THR HB H 1 4.261 0.005 . 1 . . . . . . . . 4109 1 351 . 1 1 38 38 THR CG2 C 13 21.395 0.050 . 1 . . . . . . . . 4109 1 352 . 1 1 38 38 THR HG21 H 1 1.136 0.005 . 1 . . . . . . . . 4109 1 353 . 1 1 38 38 THR HG22 H 1 1.136 0.005 . 1 . . . . . . . . 4109 1 354 . 1 1 38 38 THR HG23 H 1 1.136 0.005 . 1 . . . . . . . . 4109 1 355 . 1 1 39 39 LEU N N 15 131.147 0.050 . 1 . . . . . . . . 4109 1 356 . 1 1 39 39 LEU H H 1 8.795 0.005 . 1 . . . . . . . . 4109 1 357 . 1 1 39 39 LEU CA C 13 56.168 0.050 . 1 . . . . . . . . 4109 1 358 . 1 1 39 39 LEU HA H 1 4.339 0.005 . 1 . . . . . . . . 4109 1 359 . 1 1 39 39 LEU CB C 13 42.592 0.050 . 1 . . . . . . . . 4109 1 360 . 1 1 39 39 LEU HB2 H 1 1.762 0.005 . 2 . . . . . . . . 4109 1 361 . 1 1 39 39 LEU HB3 H 1 1.621 0.005 . 2 . . . . . . . . 4109 1 362 . 1 1 39 39 LEU CG C 13 27.043 0.050 . 1 . . . . . . . . 4109 1 363 . 1 1 39 39 LEU HG H 1 1.336 0.005 . 1 . . . . . . . . 4109 1 364 . 1 1 39 39 LEU CD1 C 13 23.489 0.050 . 2 . . . . . . . . 4109 1 365 . 1 1 39 39 LEU HD11 H 1 0.938 0.005 . 2 . . . . . . . . 4109 1 366 . 1 1 39 39 LEU HD12 H 1 0.938 0.005 . 2 . . . . . . . . 4109 1 367 . 1 1 39 39 LEU HD13 H 1 0.938 0.005 . 2 . . . . . . . . 4109 1 368 . 1 1 39 39 LEU CD2 C 13 26.067 0.050 . 2 . . . . . . . . 4109 1 369 . 1 1 39 39 LEU HD21 H 1 0.400 0.005 . 2 . . . . . . . . 4109 1 370 . 1 1 39 39 LEU HD22 H 1 0.400 0.005 . 2 . . . . . . . . 4109 1 371 . 1 1 39 39 LEU HD23 H 1 0.400 0.005 . 2 . . . . . . . . 4109 1 372 . 1 1 40 40 VAL N N 15 123.369 0.050 . 1 . . . . . . . . 4109 1 373 . 1 1 40 40 VAL H H 1 8.871 0.005 . 1 . . . . . . . . 4109 1 374 . 1 1 40 40 VAL CA C 13 62.200 0.050 . 1 . . . . . . . . 4109 1 375 . 1 1 40 40 VAL HA H 1 4.274 0.005 . 1 . . . . . . . . 4109 1 376 . 1 1 40 40 VAL CB C 13 32.734 0.050 . 1 . . . . . . . . 4109 1 377 . 1 1 40 40 VAL HB H 1 1.279 0.005 . 1 . . . . . . . . 4109 1 378 . 1 1 40 40 VAL CG1 C 13 20.070 0.050 . 2 . . . . . . . . 4109 1 379 . 1 1 40 40 VAL HG11 H 1 0.604 0.005 . 2 . . . . . . . . 4109 1 380 . 1 1 40 40 VAL HG12 H 1 0.604 0.005 . 2 . . . . . . . . 4109 1 381 . 1 1 40 40 VAL HG13 H 1 0.604 0.005 . 2 . . . . . . . . 4109 1 382 . 1 1 40 40 VAL CG2 C 13 21.815 0.050 . 2 . . . . . . . . 4109 1 383 . 1 1 40 40 VAL HG21 H 1 0.455 0.005 . 2 . . . . . . . . 4109 1 384 . 1 1 40 40 VAL HG22 H 1 0.455 0.005 . 2 . . . . . . . . 4109 1 385 . 1 1 40 40 VAL HG23 H 1 0.455 0.005 . 2 . . . . . . . . 4109 1 386 . 1 1 41 41 ALA N N 15 119.630 0.050 . 1 . . . . . . . . 4109 1 387 . 1 1 41 41 ALA H H 1 7.878 0.005 . 1 . . . . . . . . 4109 1 388 . 1 1 41 41 ALA CA C 13 51.829 0.050 . 1 . . . . . . . . 4109 1 389 . 1 1 41 41 ALA HA H 1 5.442 0.005 . 1 . . . . . . . . 4109 1 390 . 1 1 41 41 ALA CB C 13 23.786 0.050 . 1 . . . . . . . . 4109 1 391 . 1 1 41 41 ALA HB1 H 1 1.344 0.005 . 1 . . . . . . . . 4109 1 392 . 1 1 41 41 ALA HB2 H 1 1.344 0.005 . 1 . . . . . . . . 4109 1 393 . 1 1 41 41 ALA HB3 H 1 1.344 0.005 . 1 . . . . . . . . 4109 1 394 . 1 1 42 42 GLU N N 15 122.222 0.050 . 1 . . . . . . . . 4109 1 395 . 1 1 42 42 GLU H H 1 9.753 0.005 . 1 . . . . . . . . 4109 1 396 . 1 1 42 42 GLU CA C 13 55.537 0.050 . 1 . . . . . . . . 4109 1 397 . 1 1 42 42 GLU HA H 1 5.606 0.005 . 1 . . . . . . . . 4109 1 398 . 1 1 42 42 GLU CB C 13 34.012 0.050 . 1 . . . . . . . . 4109 1 399 . 1 1 42 42 GLU HB2 H 1 2.308 0.005 . 2 . . . . . . . . 4109 1 400 . 1 1 42 42 GLU HB3 H 1 2.146 0.005 . 2 . . . . . . . . 4109 1 401 . 1 1 42 42 GLU CG C 13 33.746 0.050 . 1 . . . . . . . . 4109 1 402 . 1 1 42 42 GLU HG2 H 1 2.391 0.005 . 2 . . . . . . . . 4109 1 403 . 1 1 42 42 GLU HG3 H 1 2.128 0.005 . 2 . . . . . . . . 4109 1 404 . 1 1 42 42 GLU CD C 13 178.111 0.050 . 1 . . . . . . . . 4109 1 405 . 1 1 43 43 PHE N N 15 129.244 0.050 . 1 . . . . . . . . 4109 1 406 . 1 1 43 43 PHE H H 1 9.312 0.005 . 1 . . . . . . . . 4109 1 407 . 1 1 43 43 PHE CA C 13 55.933 0.050 . 1 . . . . . . . . 4109 1 408 . 1 1 43 43 PHE HA H 1 5.005 0.005 . 1 . . . . . . . . 4109 1 409 . 1 1 44 44 LYS N N 15 131.050 0.050 . 1 . . . . . . . . 4109 1 410 . 1 1 44 44 LYS H H 1 8.668 0.005 . 1 . . . . . . . . 4109 1 411 . 1 1 44 44 LYS CB C 13 35.910 0.050 . 1 . . . . . . . . 4109 1 412 . 1 1 44 44 LYS HB2 H 1 1.591 0.005 . 2 . . . . . . . . 4109 1 413 . 1 1 44 44 LYS HB3 H 1 1.429 0.005 . 2 . . . . . . . . 4109 1 414 . 1 1 44 44 LYS CG C 13 25.397 0.050 . 1 . . . . . . . . 4109 1 415 . 1 1 44 44 LYS HG2 H 1 1.274 0.005 . 1 . . . . . . . . 4109 1 416 . 1 1 44 44 LYS HG3 H 1 1.274 0.005 . 1 . . . . . . . . 4109 1 417 . 1 1 45 45 ARG N N 15 125.188 0.050 . 1 . . . . . . . . 4109 1 418 . 1 1 45 45 ARG H H 1 7.977 0.005 . 1 . . . . . . . . 4109 1 419 . 1 1 45 45 ARG CA C 13 58.435 0.050 . 1 . . . . . . . . 4109 1 420 . 1 1 45 45 ARG HA H 1 3.737 0.005 . 1 . . . . . . . . 4109 1 421 . 1 1 45 45 ARG CB C 13 29.481 0.050 . 1 . . . . . . . . 4109 1 422 . 1 1 45 45 ARG HB2 H 1 2.106 0.005 . 2 . . . . . . . . 4109 1 423 . 1 1 45 45 ARG HB3 H 1 2.017 0.005 . 2 . . . . . . . . 4109 1 424 . 1 1 45 45 ARG CG C 13 27.779 0.050 . 1 . . . . . . . . 4109 1 425 . 1 1 45 45 ARG HG2 H 1 1.958 0.005 . 2 . . . . . . . . 4109 1 426 . 1 1 45 45 ARG HG3 H 1 1.795 0.005 . 2 . . . . . . . . 4109 1 427 . 1 1 45 45 ARG CD C 13 43.086 0.050 . 1 . . . . . . . . 4109 1 428 . 1 1 45 45 ARG HD2 H 1 3.406 0.005 . 2 . . . . . . . . 4109 1 429 . 1 1 45 45 ARG HD3 H 1 3.301 0.005 . 2 . . . . . . . . 4109 1 430 . 1 1 46 46 LYS N N 15 117.118 0.050 . 1 . . . . . . . . 4109 1 431 . 1 1 46 46 LYS H H 1 8.794 0.005 . 1 . . . . . . . . 4109 1 432 . 1 1 46 46 LYS CA C 13 58.450 0.050 . 1 . . . . . . . . 4109 1 433 . 1 1 46 46 LYS HA H 1 3.823 0.005 . 1 . . . . . . . . 4109 1 434 . 1 1 46 46 LYS CB C 13 30.237 0.050 . 1 . . . . . . . . 4109 1 435 . 1 1 46 46 LYS HB2 H 1 2.096 0.005 . 2 . . . . . . . . 4109 1 436 . 1 1 46 46 LYS HB3 H 1 2.039 0.005 . 2 . . . . . . . . 4109 1 437 . 1 1 46 46 LYS CG C 13 25.966 0.050 . 1 . . . . . . . . 4109 1 438 . 1 1 46 46 LYS CD C 13 29.177 0.050 . 1 . . . . . . . . 4109 1 439 . 1 1 46 46 LYS CE C 13 42.223 0.050 . 1 . . . . . . . . 4109 1 440 . 1 1 46 46 LYS HG2 H 1 1.396 0.005 . 1 . . . . . . . . 4109 1 441 . 1 1 46 46 LYS HG3 H 1 1.396 0.005 . 1 . . . . . . . . 4109 1 442 . 1 1 46 46 LYS HD2 H 1 1.681 0.005 . 1 . . . . . . . . 4109 1 443 . 1 1 46 46 LYS HD3 H 1 1.681 0.005 . 1 . . . . . . . . 4109 1 444 . 1 1 46 46 LYS HE2 H 1 2.984 0.005 . 1 . . . . . . . . 4109 1 445 . 1 1 46 46 LYS HE3 H 1 2.984 0.005 . 1 . . . . . . . . 4109 1 446 . 1 1 47 47 MET N N 15 119.026 0.050 . 1 . . . . . . . . 4109 1 447 . 1 1 47 47 MET H H 1 7.990 0.005 . 1 . . . . . . . . 4109 1 448 . 1 1 47 47 MET CA C 13 53.843 0.050 . 1 . . . . . . . . 4109 1 449 . 1 1 47 47 MET HA H 1 4.759 0.005 . 1 . . . . . . . . 4109 1 450 . 1 1 47 47 MET CB C 13 35.858 0.050 . 1 . . . . . . . . 4109 1 451 . 1 1 47 47 MET HB2 H 1 2.039 0.005 . 2 . . . . . . . . 4109 1 452 . 1 1 47 47 MET HB3 H 1 1.746 0.005 . 2 . . . . . . . . 4109 1 453 . 1 1 47 47 MET CG C 13 31.980 0.050 . 1 . . . . . . . . 4109 1 454 . 1 1 47 47 MET HG2 H 1 2.501 0.005 . 2 . . . . . . . . 4109 1 455 . 1 1 47 47 MET HG3 H 1 2.452 0.005 . 2 . . . . . . . . 4109 1 456 . 1 1 48 48 LYS N N 15 125.746 0.050 . 1 . . . . . . . . 4109 1 457 . 1 1 48 48 LYS H H 1 8.546 0.005 . 1 . . . . . . . . 4109 1 458 . 1 1 48 48 LYS CB C 13 31.922 0.050 . 1 . . . . . . . . 4109 1 459 . 1 1 48 48 LYS CG C 13 24.827 0.050 . 1 . . . . . . . . 4109 1 460 . 1 1 48 48 LYS CD C 13 29.436 0.050 . 1 . . . . . . . . 4109 1 461 . 1 1 48 48 LYS CE C 13 42.262 0.050 . 1 . . . . . . . . 4109 1 462 . 1 1 48 48 LYS HB2 H 1 1.827 0.005 . 1 . . . . . . . . 4109 1 463 . 1 1 48 48 LYS HB3 H 1 1.827 0.005 . 1 . . . . . . . . 4109 1 464 . 1 1 48 48 LYS HG2 H 1 1.575 0.005 . 1 . . . . . . . . 4109 1 465 . 1 1 48 48 LYS HG3 H 1 1.575 0.005 . 1 . . . . . . . . 4109 1 466 . 1 1 48 48 LYS HD2 H 1 1.746 0.005 . 1 . . . . . . . . 4109 1 467 . 1 1 48 48 LYS HD3 H 1 1.746 0.005 . 1 . . . . . . . . 4109 1 468 . 1 1 48 48 LYS HE2 H 1 3.043 0.005 . 1 . . . . . . . . 4109 1 469 . 1 1 48 48 LYS HE3 H 1 3.043 0.005 . 1 . . . . . . . . 4109 1 470 . 1 1 49 49 PRO CA C 13 63.565 0.050 . 1 . . . . . . . . 4109 1 471 . 1 1 49 49 PRO HA H 1 4.774 0.005 . 1 . . . . . . . . 4109 1 472 . 1 1 49 49 PRO CB C 13 32.514 0.050 . 1 . . . . . . . . 4109 1 473 . 1 1 49 49 PRO HB2 H 1 2.381 0.005 . 2 . . . . . . . . 4109 1 474 . 1 1 49 49 PRO HB3 H 1 1.803 0.005 . 2 . . . . . . . . 4109 1 475 . 1 1 49 49 PRO CG C 13 27.365 0.050 . 1 . . . . . . . . 4109 1 476 . 1 1 49 49 PRO HG2 H 1 2.218 0.005 . 2 . . . . . . . . 4109 1 477 . 1 1 49 49 PRO HG3 H 1 2.096 0.005 . 2 . . . . . . . . 4109 1 478 . 1 1 49 49 PRO CD C 13 50.662 0.050 . 1 . . . . . . . . 4109 1 479 . 1 1 49 49 PRO HD2 H 1 3.934 0.005 . 2 . . . . . . . . 4109 1 480 . 1 1 49 49 PRO HD3 H 1 3.738 0.005 . 2 . . . . . . . . 4109 1 481 . 1 1 50 50 PHE N N 15 122.605 0.050 . 1 . . . . . . . . 4109 1 482 . 1 1 50 50 PHE H H 1 8.612 0.005 . 1 . . . . . . . . 4109 1 483 . 1 1 50 50 PHE CA C 13 57.484 0.050 . 1 . . . . . . . . 4109 1 484 . 1 1 50 50 PHE HA H 1 4.723 0.005 . 1 . . . . . . . . 4109 1 485 . 1 1 50 50 PHE CB C 13 41.024 0.050 . 1 . . . . . . . . 4109 1 486 . 1 1 50 50 PHE HB2 H 1 3.208 0.005 . 2 . . . . . . . . 4109 1 487 . 1 1 50 50 PHE HB3 H 1 3.085 0.005 . 2 . . . . . . . . 4109 1 488 . 1 1 51 51 LEU N N 15 128.329 0.050 . 1 . . . . . . . . 4109 1 489 . 1 1 51 51 LEU H H 1 7.696 0.005 . 1 . . . . . . . . 4109 1 490 . 1 1 51 51 LEU CA C 13 52.916 0.050 . 1 . . . . . . . . 4109 1 491 . 1 1 51 51 LEU HA H 1 4.606 0.005 . 1 . . . . . . . . 4109 1 492 . 1 1 51 51 LEU CB C 13 44.765 0.050 . 1 . . . . . . . . 4109 1 493 . 1 1 51 51 LEU CG C 13 27.108 0.050 . 1 . . . . . . . . 4109 1 494 . 1 1 51 51 LEU HG H 1 1.576 0.005 . 1 . . . . . . . . 4109 1 495 . 1 1 51 51 LEU CD1 C 13 24.889 0.050 . 2 . . . . . . . . 4109 1 496 . 1 1 51 51 LEU HD11 H 1 1.032 0.005 . 2 . . . . . . . . 4109 1 497 . 1 1 51 51 LEU HD12 H 1 1.032 0.005 . 2 . . . . . . . . 4109 1 498 . 1 1 51 51 LEU HD13 H 1 1.032 0.005 . 2 . . . . . . . . 4109 1 499 . 1 1 51 51 LEU CD2 C 13 23.862 0.050 . 2 . . . . . . . . 4109 1 500 . 1 1 51 51 LEU HD21 H 1 0.952 0.005 . 2 . . . . . . . . 4109 1 501 . 1 1 51 51 LEU HD22 H 1 0.952 0.005 . 2 . . . . . . . . 4109 1 502 . 1 1 51 51 LEU HD23 H 1 0.952 0.005 . 2 . . . . . . . . 4109 1 503 . 1 1 51 51 LEU HB2 H 1 1.469 0.005 . 1 . . . . . . . . 4109 1 504 . 1 1 51 51 LEU HB3 H 1 1.469 0.005 . 1 . . . . . . . . 4109 1 505 . 1 1 52 52 LYS N N 15 123.306 0.050 . 1 . . . . . . . . 4109 1 506 . 1 1 52 52 LYS H H 1 8.476 0.005 . 1 . . . . . . . . 4109 1 507 . 1 1 52 52 LYS CA C 13 58.767 0.050 . 1 . . . . . . . . 4109 1 508 . 1 1 52 52 LYS HA H 1 3.715 0.005 . 1 . . . . . . . . 4109 1 509 . 1 1 52 52 LYS CB C 13 33.863 0.050 . 1 . . . . . . . . 4109 1 510 . 1 1 52 52 LYS HB2 H 1 2.251 0.005 . 2 . . . . . . . . 4109 1 511 . 1 1 52 52 LYS HB3 H 1 1.795 0.005 . 2 . . . . . . . . 4109 1 512 . 1 1 52 52 LYS CG C 13 24.982 0.050 . 1 . . . . . . . . 4109 1 513 . 1 1 52 52 LYS CD C 13 29.384 0.050 . 1 . . . . . . . . 4109 1 514 . 1 1 52 52 LYS HD2 H 1 1.893 0.005 . 2 . . . . . . . . 4109 1 515 . 1 1 52 52 LYS HD3 H 1 1.791 0.005 . 2 . . . . . . . . 4109 1 516 . 1 1 52 52 LYS CE C 13 42.473 0.050 . 1 . . . . . . . . 4109 1 517 . 1 1 52 52 LYS HG2 H 1 1.640 0.005 . 1 . . . . . . . . 4109 1 518 . 1 1 52 52 LYS HG3 H 1 1.640 0.005 . 1 . . . . . . . . 4109 1 519 . 1 1 52 52 LYS HE2 H 1 3.087 0.005 . 1 . . . . . . . . 4109 1 520 . 1 1 52 52 LYS HE3 H 1 3.087 0.005 . 1 . . . . . . . . 4109 1 521 . 1 1 53 53 SER N N 15 108.661 0.050 . 1 . . . . . . . . 4109 1 522 . 1 1 53 53 SER H H 1 7.654 0.005 . 1 . . . . . . . . 4109 1 523 . 1 1 53 53 SER CA C 13 56.475 0.050 . 1 . . . . . . . . 4109 1 524 . 1 1 53 53 SER HA H 1 4.626 0.005 . 1 . . . . . . . . 4109 1 525 . 1 1 53 53 SER CB C 13 65.769 0.050 . 1 . . . . . . . . 4109 1 526 . 1 1 53 53 SER HB2 H 1 4.140 0.005 . 2 . . . . . . . . 4109 1 527 . 1 1 53 53 SER HB3 H 1 3.968 0.005 . 2 . . . . . . . . 4109 1 528 . 1 1 54 54 GLY N N 15 106.527 0.050 . 1 . . . . . . . . 4109 1 529 . 1 1 54 54 GLY H H 1 8.722 0.005 . 1 . . . . . . . . 4109 1 530 . 1 1 54 54 GLY CA C 13 45.904 0.050 . 1 . . . . . . . . 4109 1 531 . 1 1 54 54 GLY HA2 H 1 4.269 0.005 . 1 . . . . . . . . 4109 1 532 . 1 1 54 54 GLY HA3 H 1 3.789 0.005 . 1 . . . . . . . . 4109 1 533 . 1 1 55 55 ALA N N 15 121.933 0.050 . 1 . . . . . . . . 4109 1 534 . 1 1 55 55 ALA H H 1 7.934 0.005 . 1 . . . . . . . . 4109 1 535 . 1 1 55 55 ALA CA C 13 53.142 0.050 . 1 . . . . . . . . 4109 1 536 . 1 1 55 55 ALA HA H 1 4.015 0.005 . 1 . . . . . . . . 4109 1 537 . 1 1 55 55 ALA CB C 13 18.971 0.050 . 1 . . . . . . . . 4109 1 538 . 1 1 55 55 ALA HB1 H 1 0.837 0.005 . 1 . . . . . . . . 4109 1 539 . 1 1 55 55 ALA HB2 H 1 0.837 0.005 . 1 . . . . . . . . 4109 1 540 . 1 1 55 55 ALA HB3 H 1 0.837 0.005 . 1 . . . . . . . . 4109 1 541 . 1 1 56 56 PHE N N 15 114.764 0.050 . 1 . . . . . . . . 4109 1 542 . 1 1 56 56 PHE H H 1 7.264 0.005 . 1 . . . . . . . . 4109 1 543 . 1 1 56 56 PHE CA C 13 55.944 0.050 . 1 . . . . . . . . 4109 1 544 . 1 1 56 56 PHE HA H 1 5.313 0.005 . 1 . . . . . . . . 4109 1 545 . 1 1 57 57 GLU N N 15 118.612 0.050 . 1 . . . . . . . . 4109 1 546 . 1 1 57 57 GLU H H 1 8.846 0.005 . 1 . . . . . . . . 4109 1 547 . 1 1 57 57 GLU CA C 13 55.812 0.050 . 1 . . . . . . . . 4109 1 548 . 1 1 57 57 GLU HA H 1 4.510 0.005 . 1 . . . . . . . . 4109 1 549 . 1 1 57 57 GLU CB C 13 33.076 0.050 . 1 . . . . . . . . 4109 1 550 . 1 1 57 57 GLU HB2 H 1 1.910 0.005 . 2 . . . . . . . . 4109 1 551 . 1 1 57 57 GLU HB3 H 1 1.799 0.005 . 2 . . . . . . . . 4109 1 552 . 1 1 57 57 GLU CD C 13 179.413 0.050 . 1 . . . . . . . . 4109 1 553 . 1 1 58 58 ILE N N 15 124.140 0.050 . 1 . . . . . . . . 4109 1 554 . 1 1 58 58 ILE H H 1 8.603 0.005 . 1 . . . . . . . . 4109 1 555 . 1 1 58 58 ILE CA C 13 58.883 0.050 . 1 . . . . . . . . 4109 1 556 . 1 1 58 58 ILE HA H 1 5.004 0.005 . 1 . . . . . . . . 4109 1 557 . 1 1 58 58 ILE CB C 13 40.710 0.050 . 1 . . . . . . . . 4109 1 558 . 1 1 58 58 ILE HB H 1 1.567 0.005 . 1 . . . . . . . . 4109 1 559 . 1 1 58 58 ILE CG1 C 13 28.815 0.050 . 1 . . . . . . . . 4109 1 560 . 1 1 58 58 ILE HG12 H 1 1.624 0.005 . 2 . . . . . . . . 4109 1 561 . 1 1 58 58 ILE HG13 H 1 1.193 0.005 . 2 . . . . . . . . 4109 1 562 . 1 1 58 58 ILE CG2 C 13 16.601 0.050 . 1 . . . . . . . . 4109 1 563 . 1 1 58 58 ILE HG21 H 1 1.078 0.005 . 1 . . . . . . . . 4109 1 564 . 1 1 58 58 ILE HG22 H 1 1.078 0.005 . 1 . . . . . . . . 4109 1 565 . 1 1 58 58 ILE HG23 H 1 1.078 0.005 . 1 . . . . . . . . 4109 1 566 . 1 1 58 58 ILE CD1 C 13 15.042 0.050 . 1 . . . . . . . . 4109 1 567 . 1 1 58 58 ILE HD11 H 1 1.041 0.005 . 1 . . . . . . . . 4109 1 568 . 1 1 58 58 ILE HD12 H 1 1.041 0.005 . 1 . . . . . . . . 4109 1 569 . 1 1 58 58 ILE HD13 H 1 1.041 0.005 . 1 . . . . . . . . 4109 1 570 . 1 1 59 59 LEU N N 15 129.265 0.050 . 1 . . . . . . . . 4109 1 571 . 1 1 59 59 LEU H H 1 8.809 0.005 . 1 . . . . . . . . 4109 1 572 . 1 1 59 59 LEU CA C 13 54.259 0.050 . 1 . . . . . . . . 4109 1 573 . 1 1 59 59 LEU HA H 1 4.456 0.005 . 1 . . . . . . . . 4109 1 574 . 1 1 59 59 LEU CB C 13 42.036 0.050 . 1 . . . . . . . . 4109 1 575 . 1 1 59 59 LEU HB2 H 1 1.925 0.005 . 2 . . . . . . . . 4109 1 576 . 1 1 59 59 LEU HB3 H 1 1.631 0.005 . 2 . . . . . . . . 4109 1 577 . 1 1 59 59 LEU CG C 13 27.476 0.050 . 1 . . . . . . . . 4109 1 578 . 1 1 59 59 LEU HG H 1 1.500 0.005 . 1 . . . . . . . . 4109 1 579 . 1 1 59 59 LEU CD1 C 13 25.133 0.050 . 2 . . . . . . . . 4109 1 580 . 1 1 59 59 LEU HD11 H 1 0.797 0.005 . 2 . . . . . . . . 4109 1 581 . 1 1 59 59 LEU HD12 H 1 0.797 0.005 . 2 . . . . . . . . 4109 1 582 . 1 1 59 59 LEU HD13 H 1 0.797 0.005 . 2 . . . . . . . . 4109 1 583 . 1 1 59 59 LEU CD2 C 13 22.462 0.050 . 2 . . . . . . . . 4109 1 584 . 1 1 59 59 LEU HD21 H 1 0.724 0.005 . 2 . . . . . . . . 4109 1 585 . 1 1 59 59 LEU HD22 H 1 0.724 0.005 . 2 . . . . . . . . 4109 1 586 . 1 1 59 59 LEU HD23 H 1 0.724 0.005 . 2 . . . . . . . . 4109 1 587 . 1 1 60 60 ALA N N 15 123.313 0.050 . 1 . . . . . . . . 4109 1 588 . 1 1 60 60 ALA H H 1 8.534 0.005 . 1 . . . . . . . . 4109 1 589 . 1 1 60 60 ALA CA C 13 54.703 0.050 . 1 . . . . . . . . 4109 1 590 . 1 1 60 60 ALA HA H 1 3.948 0.005 . 1 . . . . . . . . 4109 1 591 . 1 1 60 60 ALA CB C 13 18.140 0.050 . 1 . . . . . . . . 4109 1 592 . 1 1 60 60 ALA HB1 H 1 1.394 0.005 . 1 . . . . . . . . 4109 1 593 . 1 1 60 60 ALA HB2 H 1 1.394 0.005 . 1 . . . . . . . . 4109 1 594 . 1 1 60 60 ALA HB3 H 1 1.394 0.005 . 1 . . . . . . . . 4109 1 595 . 1 1 61 61 ASN N N 15 112.114 0.050 . 1 . . . . . . . . 4109 1 596 . 1 1 61 61 ASN H H 1 7.390 0.005 . 1 . . . . . . . . 4109 1 597 . 1 1 61 61 ASN CA C 13 52.204 0.050 . 1 . . . . . . . . 4109 1 598 . 1 1 61 61 ASN HA H 1 4.386 0.005 . 1 . . . . . . . . 4109 1 599 . 1 1 61 61 ASN CB C 13 37.841 0.050 . 1 . . . . . . . . 4109 1 600 . 1 1 61 61 ASN HB2 H 1 3.132 0.005 . 2 . . . . . . . . 4109 1 601 . 1 1 61 61 ASN HB3 H 1 2.850 0.005 . 2 . . . . . . . . 4109 1 602 . 1 1 61 61 ASN CG C 13 176.177 0.050 . 1 . . . . . . . . 4109 1 603 . 1 1 62 62 GLY N N 15 107.778 0.050 . 1 . . . . . . . . 4109 1 604 . 1 1 62 62 GLY H H 1 8.183 0.005 . 1 . . . . . . . . 4109 1 605 . 1 1 62 62 GLY CA C 13 44.869 0.050 . 1 . . . . . . . . 4109 1 606 . 1 1 62 62 GLY HA2 H 1 4.261 0.005 . 1 . . . . . . . . 4109 1 607 . 1 1 62 62 GLY HA3 H 1 3.235 0.005 . 1 . . . . . . . . 4109 1 608 . 1 1 63 63 ASP N N 15 118.652 0.050 . 1 . . . . . . . . 4109 1 609 . 1 1 63 63 ASP H H 1 7.977 0.005 . 1 . . . . . . . . 4109 1 610 . 1 1 63 63 ASP CG C 13 177.907 0.050 . 1 . . . . . . . . 4109 1 611 . 1 1 64 64 LEU N N 15 121.828 0.050 . 1 . . . . . . . . 4109 1 612 . 1 1 64 64 LEU H H 1 7.293 0.005 . 1 . . . . . . . . 4109 1 613 . 1 1 64 64 LEU CA C 13 53.199 0.050 . 1 . . . . . . . . 4109 1 614 . 1 1 64 64 LEU HA H 1 4.347 0.005 . 1 . . . . . . . . 4109 1 615 . 1 1 64 64 LEU CB C 13 42.383 0.050 . 1 . . . . . . . . 4109 1 616 . 1 1 64 64 LEU CG C 13 26.263 0.050 . 1 . . . . . . . . 4109 1 617 . 1 1 64 64 LEU HG H 1 0.872 0.005 . 1 . . . . . . . . 4109 1 618 . 1 1 64 64 LEU CD1 C 13 23.519 0.050 . 2 . . . . . . . . 4109 1 619 . 1 1 64 64 LEU HD11 H 1 0.412 0.005 . 2 . . . . . . . . 4109 1 620 . 1 1 64 64 LEU HD12 H 1 0.412 0.005 . 2 . . . . . . . . 4109 1 621 . 1 1 64 64 LEU HD13 H 1 0.412 0.005 . 2 . . . . . . . . 4109 1 622 . 1 1 64 64 LEU CD2 C 13 25.951 0.050 . 2 . . . . . . . . 4109 1 623 . 1 1 64 64 LEU HD21 H 1 0.113 0.005 . 2 . . . . . . . . 4109 1 624 . 1 1 64 64 LEU HD22 H 1 0.113 0.005 . 2 . . . . . . . . 4109 1 625 . 1 1 64 64 LEU HD23 H 1 0.113 0.005 . 2 . . . . . . . . 4109 1 626 . 1 1 64 64 LEU HB2 H 1 0.281 0.005 . 1 . . . . . . . . 4109 1 627 . 1 1 64 64 LEU HB3 H 1 0.281 0.005 . 1 . . . . . . . . 4109 1 628 . 1 1 65 65 LYS N N 15 128.363 0.050 . 1 . . . . . . . . 4109 1 629 . 1 1 65 65 LYS H H 1 9.017 0.005 . 1 . . . . . . . . 4109 1 630 . 1 1 65 65 LYS CA C 13 54.493 0.050 . 1 . . . . . . . . 4109 1 631 . 1 1 65 65 LYS HA H 1 5.015 0.005 . 1 . . . . . . . . 4109 1 632 . 1 1 65 65 LYS CB C 13 35.029 0.050 . 1 . . . . . . . . 4109 1 633 . 1 1 65 65 LYS HB2 H 1 1.526 0.005 . 2 . . . . . . . . 4109 1 634 . 1 1 65 65 LYS HB3 H 1 1.412 0.005 . 2 . . . . . . . . 4109 1 635 . 1 1 65 65 LYS CG C 13 24.672 0.050 . 1 . . . . . . . . 4109 1 636 . 1 1 65 65 LYS HG2 H 1 1.225 0.005 . 2 . . . . . . . . 4109 1 637 . 1 1 65 65 LYS HG3 H 1 0.851 0.005 . 2 . . . . . . . . 4109 1 638 . 1 1 65 65 LYS CD C 13 29.384 0.050 . 1 . . . . . . . . 4109 1 639 . 1 1 65 65 LYS CE C 13 42.219 0.050 . 1 . . . . . . . . 4109 1 640 . 1 1 65 65 LYS HD2 H 1 1.526 0.005 . 1 . . . . . . . . 4109 1 641 . 1 1 65 65 LYS HD3 H 1 1.526 0.005 . 1 . . . . . . . . 4109 1 642 . 1 1 65 65 LYS HE2 H 1 2.810 0.005 . 1 . . . . . . . . 4109 1 643 . 1 1 65 65 LYS HE3 H 1 2.810 0.005 . 1 . . . . . . . . 4109 1 644 . 1 1 66 66 ILE N N 15 127.184 0.050 . 1 . . . . . . . . 4109 1 645 . 1 1 66 66 ILE H H 1 8.619 0.005 . 1 . . . . . . . . 4109 1 646 . 1 1 66 66 ILE CB C 13 38.662 0.050 . 1 . . . . . . . . 4109 1 647 . 1 1 66 66 ILE HB H 1 1.546 0.005 . 1 . . . . . . . . 4109 1 648 . 1 1 66 66 ILE CG1 C 13 27.261 0.050 . 1 . . . . . . . . 4109 1 649 . 1 1 66 66 ILE HG12 H 1 1.258 0.005 . 2 . . . . . . . . 4109 1 650 . 1 1 66 66 ILE HG13 H 1 0.778 0.005 . 2 . . . . . . . . 4109 1 651 . 1 1 66 66 ILE CG2 C 13 17.260 0.050 . 1 . . . . . . . . 4109 1 652 . 1 1 66 66 ILE HG21 H 1 0.491 0.005 . 1 . . . . . . . . 4109 1 653 . 1 1 66 66 ILE HG22 H 1 0.491 0.005 . 1 . . . . . . . . 4109 1 654 . 1 1 66 66 ILE HG23 H 1 0.491 0.005 . 1 . . . . . . . . 4109 1 655 . 1 1 66 66 ILE CD1 C 13 13.789 0.050 . 1 . . . . . . . . 4109 1 656 . 1 1 66 66 ILE HD11 H 1 0.454 0.005 . 1 . . . . . . . . 4109 1 657 . 1 1 66 66 ILE HD12 H 1 0.454 0.005 . 1 . . . . . . . . 4109 1 658 . 1 1 66 66 ILE HD13 H 1 0.454 0.005 . 1 . . . . . . . . 4109 1 659 . 1 1 67 67 LYS N N 15 125.868 0.050 . 1 . . . . . . . . 4109 1 660 . 1 1 67 67 LYS H H 1 8.111 0.005 . 1 . . . . . . . . 4109 1 661 . 1 1 67 67 LYS CA C 13 59.235 0.050 . 1 . . . . . . . . 4109 1 662 . 1 1 67 67 LYS HA H 1 3.757 0.005 . 1 . . . . . . . . 4109 1 663 . 1 1 67 67 LYS CB C 13 33.291 0.050 . 1 . . . . . . . . 4109 1 664 . 1 1 67 67 LYS HB2 H 1 1.689 0.005 . 2 . . . . . . . . 4109 1 665 . 1 1 67 67 LYS HB3 H 1 1.477 0.005 . 2 . . . . . . . . 4109 1 666 . 1 1 67 67 LYS CG C 13 25.759 0.050 . 1 . . . . . . . . 4109 1 667 . 1 1 67 67 LYS HG2 H 1 1.168 0.005 . 2 . . . . . . . . 4109 1 668 . 1 1 67 67 LYS HG3 H 1 1.127 0.005 . 2 . . . . . . . . 4109 1 669 . 1 1 67 67 LYS CD C 13 29.438 0.050 . 1 . . . . . . . . 4109 1 670 . 1 1 67 67 LYS CE C 13 42.250 0.050 . 1 . . . . . . . . 4109 1 671 . 1 1 67 67 LYS HE2 H 1 2.806 0.005 . 1 . . . . . . . . 4109 1 672 . 1 1 67 67 LYS HE3 H 1 2.665 0.005 . 1 . . . . . . . . 4109 1 673 . 1 1 67 67 LYS HD2 H 1 1.575 0.005 . 1 . . . . . . . . 4109 1 674 . 1 1 67 67 LYS HD3 H 1 1.575 0.005 . 1 . . . . . . . . 4109 1 675 . 1 1 68 68 ASN N N 15 116.376 0.050 . 1 . . . . . . . . 4109 1 676 . 1 1 68 68 ASN H H 1 8.135 0.005 . 1 . . . . . . . . 4109 1 677 . 1 1 68 68 ASN CA C 13 53.058 0.050 . 1 . . . . . . . . 4109 1 678 . 1 1 68 68 ASN HA H 1 3.921 0.005 . 1 . . . . . . . . 4109 1 679 . 1 1 68 68 ASN CB C 13 39.378 0.050 . 1 . . . . . . . . 4109 1 680 . 1 1 68 68 ASN HB2 H 1 2.539 0.005 . 2 . . . . . . . . 4109 1 681 . 1 1 68 68 ASN HB3 H 1 2.282 0.005 . 2 . . . . . . . . 4109 1 682 . 1 1 68 68 ASN CG C 13 176.530 0.050 . 1 . . . . . . . . 4109 1 683 . 1 1 69 69 LEU N N 15 123.937 0.050 . 1 . . . . . . . . 4109 1 684 . 1 1 69 69 LEU H H 1 8.194 0.005 . 1 . . . . . . . . 4109 1 685 . 1 1 69 69 LEU CA C 13 56.904 0.050 . 1 . . . . . . . . 4109 1 686 . 1 1 69 69 LEU HA H 1 4.009 0.005 . 1 . . . . . . . . 4109 1 687 . 1 1 69 69 LEU CG C 13 26.957 0.050 . 1 . . . . . . . . 4109 1 688 . 1 1 69 69 LEU HG H 1 1.564 0.005 . 1 . . . . . . . . 4109 1 689 . 1 1 69 69 LEU CD1 C 13 25.771 0.050 . 2 . . . . . . . . 4109 1 690 . 1 1 69 69 LEU HD11 H 1 0.771 0.005 . 2 . . . . . . . . 4109 1 691 . 1 1 69 69 LEU HD12 H 1 0.771 0.005 . 2 . . . . . . . . 4109 1 692 . 1 1 69 69 LEU HD13 H 1 0.771 0.005 . 2 . . . . . . . . 4109 1 693 . 1 1 69 69 LEU CD2 C 13 25.645 0.050 . 2 . . . . . . . . 4109 1 694 . 1 1 69 69 LEU HD21 H 1 0.701 0.005 . 2 . . . . . . . . 4109 1 695 . 1 1 69 69 LEU HD22 H 1 0.701 0.005 . 2 . . . . . . . . 4109 1 696 . 1 1 69 69 LEU HD23 H 1 0.701 0.005 . 2 . . . . . . . . 4109 1 697 . 1 1 70 70 THR N N 15 116.228 0.050 . 1 . . . . . . . . 4109 1 698 . 1 1 70 70 THR H H 1 8.023 0.005 . 1 . . . . . . . . 4109 1 699 . 1 1 70 70 THR CA C 13 59.989 0.050 . 1 . . . . . . . . 4109 1 700 . 1 1 70 70 THR HA H 1 4.720 0.005 . 1 . . . . . . . . 4109 1 701 . 1 1 70 70 THR CB C 13 71.798 0.050 . 1 . . . . . . . . 4109 1 702 . 1 1 70 70 THR HB H 1 4.481 0.005 . 1 . . . . . . . . 4109 1 703 . 1 1 70 70 THR CG2 C 13 21.720 0.050 . 1 . . . . . . . . 4109 1 704 . 1 1 70 70 THR HG21 H 1 1.168 0.005 . 1 . . . . . . . . 4109 1 705 . 1 1 70 70 THR HG22 H 1 1.168 0.005 . 1 . . . . . . . . 4109 1 706 . 1 1 70 70 THR HG23 H 1 1.168 0.005 . 1 . . . . . . . . 4109 1 707 . 1 1 71 71 ARG N N 15 120.991 0.050 . 1 . . . . . . . . 4109 1 708 . 1 1 71 71 ARG H H 1 9.044 0.005 . 1 . . . . . . . . 4109 1 709 . 1 1 71 71 ARG CA C 13 60.087 0.050 . 1 . . . . . . . . 4109 1 710 . 1 1 71 71 ARG HA H 1 3.857 0.005 . 1 . . . . . . . . 4109 1 711 . 1 1 71 71 ARG CB C 13 29.799 0.050 . 1 . . . . . . . . 4109 1 712 . 1 1 71 71 ARG CG C 13 28.659 0.050 . 1 . . . . . . . . 4109 1 713 . 1 1 71 71 ARG CD C 13 43.191 0.050 . 1 . . . . . . . . 4109 1 714 . 1 1 71 71 ARG HB2 H 1 1.925 0.005 . 1 . . . . . . . . 4109 1 715 . 1 1 71 71 ARG HB3 H 1 1.925 0.005 . 1 . . . . . . . . 4109 1 716 . 1 1 71 71 ARG HG2 H 1 1.811 0.005 . 1 . . . . . . . . 4109 1 717 . 1 1 71 71 ARG HG3 H 1 1.811 0.005 . 1 . . . . . . . . 4109 1 718 . 1 1 71 71 ARG HD2 H 1 3.242 0.005 . 1 . . . . . . . . 4109 1 719 . 1 1 71 71 ARG HD3 H 1 3.242 0.005 . 1 . . . . . . . . 4109 1 720 . 1 1 72 72 ASP N N 15 116.318 0.050 . 1 . . . . . . . . 4109 1 721 . 1 1 72 72 ASP H H 1 8.251 0.005 . 1 . . . . . . . . 4109 1 722 . 1 1 72 72 ASP CG C 13 178.089 0.050 . 1 . . . . . . . . 4109 1 723 . 1 1 73 73 ASP N N 15 115.669 0.050 . 1 . . . . . . . . 4109 1 724 . 1 1 73 73 ASP H H 1 7.711 0.005 . 1 . . . . . . . . 4109 1 725 . 1 1 73 73 ASP CA C 13 53.775 0.050 . 1 . . . . . . . . 4109 1 726 . 1 1 73 73 ASP HA H 1 4.771 0.005 . 1 . . . . . . . . 4109 1 727 . 1 1 73 73 ASP CB C 13 37.893 0.050 . 1 . . . . . . . . 4109 1 728 . 1 1 73 73 ASP HB2 H 1 3.101 0.005 . 2 . . . . . . . . 4109 1 729 . 1 1 73 73 ASP HB3 H 1 2.730 0.005 . 2 . . . . . . . . 4109 1 730 . 1 1 73 73 ASP CG C 13 175.389 0.050 . 1 . . . . . . . . 4109 1 731 . 1 1 74 74 SER N N 15 116.048 0.050 . 1 . . . . . . . . 4109 1 732 . 1 1 74 74 SER H H 1 7.559 0.005 . 1 . . . . . . . . 4109 1 733 . 1 1 74 74 SER CA C 13 59.117 0.050 . 1 . . . . . . . . 4109 1 734 . 1 1 74 74 SER HA H 1 4.227 0.005 . 1 . . . . . . . . 4109 1 735 . 1 1 74 74 SER CB C 13 64.075 0.050 . 1 . . . . . . . . 4109 1 736 . 1 1 74 74 SER HB2 H 1 4.152 0.005 . 2 . . . . . . . . 4109 1 737 . 1 1 74 74 SER HB3 H 1 3.906 0.005 . 2 . . . . . . . . 4109 1 738 . 1 1 75 75 GLY N N 15 110.939 0.050 . 1 . . . . . . . . 4109 1 739 . 1 1 75 75 GLY H H 1 8.873 0.005 . 1 . . . . . . . . 4109 1 740 . 1 1 75 75 GLY CA C 13 44.286 0.050 . 1 . . . . . . . . 4109 1 741 . 1 1 75 75 GLY HA2 H 1 4.534 0.005 . 1 . . . . . . . . 4109 1 742 . 1 1 75 75 GLY HA3 H 1 3.916 0.005 . 1 . . . . . . . . 4109 1 743 . 1 1 76 76 THR N N 15 117.092 0.050 . 1 . . . . . . . . 4109 1 744 . 1 1 76 76 THR H H 1 8.341 0.005 . 1 . . . . . . . . 4109 1 745 . 1 1 76 76 THR CA C 13 63.341 0.050 . 1 . . . . . . . . 4109 1 746 . 1 1 76 76 THR HA H 1 5.008 0.005 . 1 . . . . . . . . 4109 1 747 . 1 1 76 76 THR CB C 13 69.623 0.050 . 1 . . . . . . . . 4109 1 748 . 1 1 76 76 THR HB H 1 3.944 0.005 . 1 . . . . . . . . 4109 1 749 . 1 1 76 76 THR CG2 C 13 22.283 0.050 . 1 . . . . . . . . 4109 1 750 . 1 1 76 76 THR HG21 H 1 1.128 0.005 . 1 . . . . . . . . 4109 1 751 . 1 1 76 76 THR HG22 H 1 1.128 0.005 . 1 . . . . . . . . 4109 1 752 . 1 1 76 76 THR HG23 H 1 1.128 0.005 . 1 . . . . . . . . 4109 1 753 . 1 1 77 77 TYR N N 15 129.881 0.050 . 1 . . . . . . . . 4109 1 754 . 1 1 77 77 TYR H H 1 9.852 0.005 . 1 . . . . . . . . 4109 1 755 . 1 1 77 77 TYR CA C 13 57.132 0.050 . 1 . . . . . . . . 4109 1 756 . 1 1 77 77 TYR HA H 1 5.236 0.005 . 1 . . . . . . . . 4109 1 757 . 1 1 78 78 ASN N N 15 121.420 0.050 . 1 . . . . . . . . 4109 1 758 . 1 1 78 78 ASN H H 1 9.555 0.005 . 1 . . . . . . . . 4109 1 759 . 1 1 78 78 ASN CA C 13 52.538 0.050 . 1 . . . . . . . . 4109 1 760 . 1 1 78 78 ASN HA H 1 5.560 0.005 . 1 . . . . . . . . 4109 1 761 . 1 1 78 78 ASN CB C 13 42.804 0.050 . 1 . . . . . . . . 4109 1 762 . 1 1 78 78 ASN CG C 13 176.075 0.050 . 1 . . . . . . . . 4109 1 763 . 1 1 78 78 ASN HB2 H 1 2.547 0.005 . 1 . . . . . . . . 4109 1 764 . 1 1 78 78 ASN HB3 H 1 2.547 0.005 . 1 . . . . . . . . 4109 1 765 . 1 1 79 79 VAL N N 15 126.266 0.050 . 1 . . . . . . . . 4109 1 766 . 1 1 79 79 VAL H H 1 9.176 0.005 . 1 . . . . . . . . 4109 1 767 . 1 1 79 79 VAL CA C 13 57.279 0.050 . 1 . . . . . . . . 4109 1 768 . 1 1 79 79 VAL HA H 1 5.010 0.005 . 1 . . . . . . . . 4109 1 769 . 1 1 79 79 VAL CB C 13 32.487 0.050 . 1 . . . . . . . . 4109 1 770 . 1 1 79 79 VAL HB H 1 -0.393 0.005 . 1 . . . . . . . . 4109 1 771 . 1 1 79 79 VAL CG1 C 13 18.502 0.050 . 2 . . . . . . . . 4109 1 772 . 1 1 79 79 VAL HG11 H 1 0.229 0.005 . 2 . . . . . . . . 4109 1 773 . 1 1 79 79 VAL HG12 H 1 0.229 0.005 . 2 . . . . . . . . 4109 1 774 . 1 1 79 79 VAL HG13 H 1 0.229 0.005 . 2 . . . . . . . . 4109 1 775 . 1 1 79 79 VAL CG2 C 13 21.571 0.050 . 2 . . . . . . . . 4109 1 776 . 1 1 79 79 VAL HG21 H 1 -0.429 0.005 . 2 . . . . . . . . 4109 1 777 . 1 1 79 79 VAL HG22 H 1 -0.429 0.005 . 2 . . . . . . . . 4109 1 778 . 1 1 79 79 VAL HG23 H 1 -0.429 0.005 . 2 . . . . . . . . 4109 1 779 . 1 1 80 80 THR N N 15 120.744 0.050 . 1 . . . . . . . . 4109 1 780 . 1 1 80 80 THR H H 1 8.347 0.005 . 1 . . . . . . . . 4109 1 781 . 1 1 80 80 THR CA C 13 59.696 0.050 . 1 . . . . . . . . 4109 1 782 . 1 1 80 80 THR HA H 1 4.936 0.005 . 1 . . . . . . . . 4109 1 783 . 1 1 80 80 THR CB C 13 71.591 0.050 . 1 . . . . . . . . 4109 1 784 . 1 1 80 80 THR HB H 1 3.594 0.005 . 1 . . . . . . . . 4109 1 785 . 1 1 80 80 THR CG2 C 13 22.043 0.050 . 1 . . . . . . . . 4109 1 786 . 1 1 80 80 THR HG21 H 1 0.967 0.005 . 1 . . . . . . . . 4109 1 787 . 1 1 80 80 THR HG22 H 1 0.967 0.005 . 1 . . . . . . . . 4109 1 788 . 1 1 80 80 THR HG23 H 1 0.967 0.005 . 1 . . . . . . . . 4109 1 789 . 1 1 81 81 VAL N N 15 123.744 0.050 . 1 . . . . . . . . 4109 1 790 . 1 1 81 81 VAL H H 1 7.773 0.005 . 1 . . . . . . . . 4109 1 791 . 1 1 81 81 VAL CA C 13 60.384 0.050 . 1 . . . . . . . . 4109 1 792 . 1 1 81 81 VAL HA H 1 4.914 0.005 . 1 . . . . . . . . 4109 1 793 . 1 1 81 81 VAL CB C 13 35.168 0.050 . 1 . . . . . . . . 4109 1 794 . 1 1 81 81 VAL HB H 1 1.588 0.005 . 1 . . . . . . . . 4109 1 795 . 1 1 81 81 VAL CG1 C 13 23.343 0.050 . 2 . . . . . . . . 4109 1 796 . 1 1 81 81 VAL HG11 H 1 1.078 0.005 . 2 . . . . . . . . 4109 1 797 . 1 1 81 81 VAL HG12 H 1 1.078 0.005 . 2 . . . . . . . . 4109 1 798 . 1 1 81 81 VAL HG13 H 1 1.078 0.005 . 2 . . . . . . . . 4109 1 799 . 1 1 81 81 VAL CG2 C 13 21.337 0.050 . 2 . . . . . . . . 4109 1 800 . 1 1 81 81 VAL HG21 H 1 0.373 0.005 . 2 . . . . . . . . 4109 1 801 . 1 1 81 81 VAL HG22 H 1 0.373 0.005 . 2 . . . . . . . . 4109 1 802 . 1 1 81 81 VAL HG23 H 1 0.373 0.005 . 2 . . . . . . . . 4109 1 803 . 1 1 82 82 TYR N N 15 125.052 0.050 . 1 . . . . . . . . 4109 1 804 . 1 1 82 82 TYR H H 1 9.053 0.005 . 1 . . . . . . . . 4109 1 805 . 1 1 82 82 TYR CA C 13 56.137 0.050 . 1 . . . . . . . . 4109 1 806 . 1 1 82 82 TYR HA H 1 5.607 0.005 . 1 . . . . . . . . 4109 1 807 . 1 1 83 83 SER N N 15 119.647 0.050 . 1 . . . . . . . . 4109 1 808 . 1 1 83 83 SER H H 1 9.348 0.005 . 1 . . . . . . . . 4109 1 809 . 1 1 83 83 SER CA C 13 57.107 0.050 . 1 . . . . . . . . 4109 1 810 . 1 1 83 83 SER HA H 1 5.342 0.005 . 1 . . . . . . . . 4109 1 811 . 1 1 83 83 SER CB C 13 65.543 0.050 . 1 . . . . . . . . 4109 1 812 . 1 1 83 83 SER HB2 H 1 4.451 0.005 . 2 . . . . . . . . 4109 1 813 . 1 1 83 83 SER HB3 H 1 3.922 0.005 . 2 . . . . . . . . 4109 1 814 . 1 1 84 84 THR N N 15 115.340 0.050 . 1 . . . . . . . . 4109 1 815 . 1 1 84 84 THR H H 1 8.584 0.005 . 1 . . . . . . . . 4109 1 816 . 1 1 84 84 THR CA C 13 65.152 0.050 . 1 . . . . . . . . 4109 1 817 . 1 1 84 84 THR HA H 1 3.954 0.005 . 1 . . . . . . . . 4109 1 818 . 1 1 84 84 THR CB C 13 68.846 0.050 . 1 . . . . . . . . 4109 1 819 . 1 1 84 84 THR HB H 1 4.310 0.005 . 1 . . . . . . . . 4109 1 820 . 1 1 84 84 THR CG2 C 13 22.342 0.050 . 1 . . . . . . . . 4109 1 821 . 1 1 84 84 THR HG21 H 1 1.243 0.005 . 1 . . . . . . . . 4109 1 822 . 1 1 84 84 THR HG22 H 1 1.243 0.005 . 1 . . . . . . . . 4109 1 823 . 1 1 84 84 THR HG23 H 1 1.243 0.005 . 1 . . . . . . . . 4109 1 824 . 1 1 85 85 ASN N N 15 118.621 0.050 . 1 . . . . . . . . 4109 1 825 . 1 1 85 85 ASN H H 1 8.190 0.005 . 1 . . . . . . . . 4109 1 826 . 1 1 85 85 ASN CA C 13 52.742 0.050 . 1 . . . . . . . . 4109 1 827 . 1 1 85 85 ASN HA H 1 4.799 0.005 . 1 . . . . . . . . 4109 1 828 . 1 1 85 85 ASN CB C 13 37.522 0.050 . 1 . . . . . . . . 4109 1 829 . 1 1 85 85 ASN HB2 H 1 3.366 0.005 . 2 . . . . . . . . 4109 1 830 . 1 1 85 85 ASN HB3 H 1 2.742 0.005 . 2 . . . . . . . . 4109 1 831 . 1 1 85 85 ASN CG C 13 177.453 0.050 . 1 . . . . . . . . 4109 1 832 . 1 1 86 86 GLY N N 15 108.454 0.050 . 1 . . . . . . . . 4109 1 833 . 1 1 86 86 GLY H H 1 8.221 0.005 . 1 . . . . . . . . 4109 1 834 . 1 1 86 86 GLY CA C 13 45.341 0.050 . 1 . . . . . . . . 4109 1 835 . 1 1 86 86 GLY HA2 H 1 4.273 0.005 . 1 . . . . . . . . 4109 1 836 . 1 1 86 86 GLY HA3 H 1 3.744 0.005 . 1 . . . . . . . . 4109 1 837 . 1 1 87 87 THR N N 15 117.393 0.050 . 1 . . . . . . . . 4109 1 838 . 1 1 87 87 THR H H 1 7.692 0.005 . 1 . . . . . . . . 4109 1 839 . 1 1 87 87 THR CA C 13 63.315 0.050 . 1 . . . . . . . . 4109 1 840 . 1 1 87 87 THR HA H 1 4.148 0.005 . 1 . . . . . . . . 4109 1 841 . 1 1 87 87 THR CB C 13 69.571 0.050 . 1 . . . . . . . . 4109 1 842 . 1 1 87 87 THR HB H 1 4.131 0.005 . 1 . . . . . . . . 4109 1 843 . 1 1 87 87 THR CG2 C 13 21.056 0.050 . 1 . . . . . . . . 4109 1 844 . 1 1 87 87 THR HG21 H 1 1.035 0.005 . 1 . . . . . . . . 4109 1 845 . 1 1 87 87 THR HG22 H 1 1.035 0.005 . 1 . . . . . . . . 4109 1 846 . 1 1 87 87 THR HG23 H 1 1.035 0.005 . 1 . . . . . . . . 4109 1 847 . 1 1 88 88 ARG N N 15 128.486 0.050 . 1 . . . . . . . . 4109 1 848 . 1 1 88 88 ARG H H 1 8.993 0.005 . 1 . . . . . . . . 4109 1 849 . 1 1 88 88 ARG CA C 13 56.210 0.050 . 1 . . . . . . . . 4109 1 850 . 1 1 88 88 ARG HA H 1 4.119 0.005 . 1 . . . . . . . . 4109 1 851 . 1 1 88 88 ARG CB C 13 30.080 0.050 . 1 . . . . . . . . 4109 1 852 . 1 1 88 88 ARG HB2 H 1 1.876 0.005 . 2 . . . . . . . . 4109 1 853 . 1 1 88 88 ARG HB3 H 1 1.559 0.005 . 2 . . . . . . . . 4109 1 854 . 1 1 88 88 ARG CG C 13 26.950 0.050 . 1 . . . . . . . . 4109 1 855 . 1 1 88 88 ARG CD C 13 44.023 0.050 . 1 . . . . . . . . 4109 1 856 . 1 1 88 88 ARG HG2 H 1 0.997 0.005 . 1 . . . . . . . . 4109 1 857 . 1 1 88 88 ARG HG3 H 1 0.997 0.005 . 1 . . . . . . . . 4109 1 858 . 1 1 88 88 ARG HD2 H 1 3.044 0.005 . 1 . . . . . . . . 4109 1 859 . 1 1 88 88 ARG HD3 H 1 3.044 0.005 . 1 . . . . . . . . 4109 1 860 . 1 1 89 89 ILE N N 15 126.259 0.050 . 1 . . . . . . . . 4109 1 861 . 1 1 89 89 ILE H H 1 8.600 0.005 . 1 . . . . . . . . 4109 1 862 . 1 1 89 89 ILE CA C 13 61.482 0.050 . 1 . . . . . . . . 4109 1 863 . 1 1 89 89 ILE HA H 1 4.227 0.005 . 1 . . . . . . . . 4109 1 864 . 1 1 89 89 ILE CB C 13 39.229 0.050 . 1 . . . . . . . . 4109 1 865 . 1 1 89 89 ILE HB H 1 1.809 0.005 . 1 . . . . . . . . 4109 1 866 . 1 1 89 89 ILE CG1 C 13 26.846 0.050 . 1 . . . . . . . . 4109 1 867 . 1 1 89 89 ILE HG12 H 1 1.209 0.005 . 2 . . . . . . . . 4109 1 868 . 1 1 89 89 ILE HG13 H 1 1.075 0.005 . 2 . . . . . . . . 4109 1 869 . 1 1 89 89 ILE CD1 C 13 13.178 0.050 . 1 . . . . . . . . 4109 1 870 . 1 1 89 89 ILE HD11 H 1 0.845 0.005 . 1 . . . . . . . . 4109 1 871 . 1 1 89 89 ILE HD12 H 1 0.845 0.005 . 1 . . . . . . . . 4109 1 872 . 1 1 89 89 ILE HD13 H 1 0.845 0.005 . 1 . . . . . . . . 4109 1 873 . 1 1 90 90 LEU N N 15 119.649 0.050 . 1 . . . . . . . . 4109 1 874 . 1 1 90 90 LEU H H 1 7.195 0.005 . 1 . . . . . . . . 4109 1 875 . 1 1 90 90 LEU CA C 13 55.342 0.050 . 1 . . . . . . . . 4109 1 876 . 1 1 90 90 LEU HA H 1 4.454 0.005 . 1 . . . . . . . . 4109 1 877 . 1 1 90 90 LEU CB C 13 45.453 0.050 . 1 . . . . . . . . 4109 1 878 . 1 1 90 90 LEU HB2 H 1 1.452 0.005 . 2 . . . . . . . . 4109 1 879 . 1 1 90 90 LEU HB3 H 1 1.328 0.005 . 2 . . . . . . . . 4109 1 880 . 1 1 90 90 LEU CG C 13 26.775 0.050 . 1 . . . . . . . . 4109 1 881 . 1 1 90 90 LEU HG H 1 1.346 0.005 . 1 . . . . . . . . 4109 1 882 . 1 1 90 90 LEU CD1 C 13 26.120 0.050 . 2 . . . . . . . . 4109 1 883 . 1 1 90 90 LEU HD11 H 1 0.675 0.005 . 2 . . . . . . . . 4109 1 884 . 1 1 90 90 LEU HD12 H 1 0.675 0.005 . 2 . . . . . . . . 4109 1 885 . 1 1 90 90 LEU HD13 H 1 0.675 0.005 . 2 . . . . . . . . 4109 1 886 . 1 1 90 90 LEU CD2 C 13 26.701 0.050 . 2 . . . . . . . . 4109 1 887 . 1 1 90 90 LEU HD21 H 1 0.540 0.005 . 2 . . . . . . . . 4109 1 888 . 1 1 90 90 LEU HD22 H 1 0.540 0.005 . 2 . . . . . . . . 4109 1 889 . 1 1 90 90 LEU HD23 H 1 0.540 0.005 . 2 . . . . . . . . 4109 1 890 . 1 1 91 91 ASN N N 15 123.153 0.050 . 1 . . . . . . . . 4109 1 891 . 1 1 91 91 ASN H H 1 8.479 0.005 . 1 . . . . . . . . 4109 1 892 . 1 1 91 91 ASN CA C 13 53.064 0.050 . 1 . . . . . . . . 4109 1 893 . 1 1 91 91 ASN HA H 1 5.349 0.005 . 1 . . . . . . . . 4109 1 894 . 1 1 91 91 ASN CB C 13 40.604 0.050 . 1 . . . . . . . . 4109 1 895 . 1 1 91 91 ASN HB2 H 1 2.644 0.005 . 2 . . . . . . . . 4109 1 896 . 1 1 91 91 ASN HB3 H 1 2.327 0.005 . 2 . . . . . . . . 4109 1 897 . 1 1 91 91 ASN CG C 13 176.214 0.050 . 1 . . . . . . . . 4109 1 898 . 1 1 92 92 LYS N N 15 124.227 0.050 . 1 . . . . . . . . 4109 1 899 . 1 1 92 92 LYS H H 1 8.669 0.005 . 1 . . . . . . . . 4109 1 900 . 1 1 92 92 LYS CA C 13 54.181 0.050 . 1 . . . . . . . . 4109 1 901 . 1 1 92 92 LYS HA H 1 4.761 0.005 . 1 . . . . . . . . 4109 1 902 . 1 1 92 92 LYS CB C 13 37.204 0.050 . 1 . . . . . . . . 4109 1 903 . 1 1 92 92 LYS HB2 H 1 1.665 0.005 . 2 . . . . . . . . 4109 1 904 . 1 1 92 92 LYS HB3 H 1 1.347 0.005 . 2 . . . . . . . . 4109 1 905 . 1 1 92 92 LYS CG C 13 25.407 0.050 . 1 . . . . . . . . 4109 1 906 . 1 1 92 92 LYS CD C 13 29.125 0.050 . 1 . . . . . . . . 4109 1 907 . 1 1 92 92 LYS HD2 H 1 1.811 0.005 . 2 . . . . . . . . 4109 1 908 . 1 1 92 92 LYS HD3 H 1 1.583 0.005 . 2 . . . . . . . . 4109 1 909 . 1 1 92 92 LYS HG2 H 1 1.325 0.005 . 1 . . . . . . . . 4109 1 910 . 1 1 92 92 LYS HG3 H 1 1.325 0.005 . 1 . . . . . . . . 4109 1 911 . 1 1 93 93 ALA N N 15 124.932 0.050 . 1 . . . . . . . . 4109 1 912 . 1 1 93 93 ALA H H 1 8.394 0.005 . 1 . . . . . . . . 4109 1 913 . 1 1 93 93 ALA CA C 13 50.617 0.050 . 1 . . . . . . . . 4109 1 914 . 1 1 93 93 ALA HA H 1 5.483 0.005 . 1 . . . . . . . . 4109 1 915 . 1 1 93 93 ALA CB C 13 21.730 0.050 . 1 . . . . . . . . 4109 1 916 . 1 1 93 93 ALA HB1 H 1 1.274 0.005 . 1 . . . . . . . . 4109 1 917 . 1 1 93 93 ALA HB2 H 1 1.274 0.005 . 1 . . . . . . . . 4109 1 918 . 1 1 93 93 ALA HB3 H 1 1.274 0.005 . 1 . . . . . . . . 4109 1 919 . 1 1 94 94 LEU N N 15 123.947 0.050 . 1 . . . . . . . . 4109 1 920 . 1 1 94 94 LEU H H 1 9.427 0.005 . 1 . . . . . . . . 4109 1 921 . 1 1 94 94 LEU CA C 13 53.952 0.050 . 1 . . . . . . . . 4109 1 922 . 1 1 94 94 LEU HA H 1 4.923 0.005 . 1 . . . . . . . . 4109 1 923 . 1 1 94 94 LEU CB C 13 46.008 0.050 . 1 . . . . . . . . 4109 1 924 . 1 1 94 94 LEU HB2 H 1 1.738 0.005 . 2 . . . . . . . . 4109 1 925 . 1 1 94 94 LEU HB3 H 1 1.469 0.005 . 2 . . . . . . . . 4109 1 926 . 1 1 94 94 LEU CG C 13 27.914 0.050 . 1 . . . . . . . . 4109 1 927 . 1 1 94 94 LEU HG H 1 1.690 0.005 . 1 . . . . . . . . 4109 1 928 . 1 1 94 94 LEU CD1 C 13 25.900 0.050 . 2 . . . . . . . . 4109 1 929 . 1 1 94 94 LEU HD11 H 1 1.006 0.005 . 2 . . . . . . . . 4109 1 930 . 1 1 94 94 LEU HD12 H 1 1.006 0.005 . 2 . . . . . . . . 4109 1 931 . 1 1 94 94 LEU HD13 H 1 1.006 0.005 . 2 . . . . . . . . 4109 1 932 . 1 1 94 94 LEU CD2 C 13 25.255 0.050 . 2 . . . . . . . . 4109 1 933 . 1 1 94 94 LEU HD21 H 1 0.906 0.005 . 2 . . . . . . . . 4109 1 934 . 1 1 94 94 LEU HD22 H 1 0.906 0.005 . 2 . . . . . . . . 4109 1 935 . 1 1 94 94 LEU HD23 H 1 0.906 0.005 . 2 . . . . . . . . 4109 1 936 . 1 1 95 95 ASP N N 15 122.340 0.050 . 1 . . . . . . . . 4109 1 937 . 1 1 95 95 ASP H H 1 8.779 0.005 . 1 . . . . . . . . 4109 1 938 . 1 1 95 95 ASP CA C 13 52.130 0.050 . 1 . . . . . . . . 4109 1 939 . 1 1 95 95 ASP HA H 1 5.103 0.005 . 1 . . . . . . . . 4109 1 940 . 1 1 95 95 ASP CB C 13 39.644 0.050 . 1 . . . . . . . . 4109 1 941 . 1 1 95 95 ASP CG C 13 176.525 0.050 . 1 . . . . . . . . 4109 1 942 . 1 1 95 95 ASP HB2 H 1 2.659 0.005 . 1 . . . . . . . . 4109 1 943 . 1 1 95 95 ASP HB3 H 1 2.659 0.005 . 1 . . . . . . . . 4109 1 944 . 1 1 96 96 LEU N N 15 129.407 0.050 . 1 . . . . . . . . 4109 1 945 . 1 1 96 96 LEU H H 1 9.078 0.005 . 1 . . . . . . . . 4109 1 946 . 1 1 96 96 LEU CA C 13 54.236 0.050 . 1 . . . . . . . . 4109 1 947 . 1 1 96 96 LEU HA H 1 4.961 0.005 . 1 . . . . . . . . 4109 1 948 . 1 1 96 96 LEU CB C 13 43.315 0.050 . 1 . . . . . . . . 4109 1 949 . 1 1 96 96 LEU HB2 H 1 2.348 0.005 . 2 . . . . . . . . 4109 1 950 . 1 1 96 96 LEU HB3 H 1 1.591 0.005 . 2 . . . . . . . . 4109 1 951 . 1 1 96 96 LEU CG C 13 28.451 0.050 . 1 . . . . . . . . 4109 1 952 . 1 1 96 96 LEU HG H 1 1.242 0.005 . 1 . . . . . . . . 4109 1 953 . 1 1 96 96 LEU CD1 C 13 26.244 0.050 . 2 . . . . . . . . 4109 1 954 . 1 1 96 96 LEU HD11 H 1 0.694 0.005 . 2 . . . . . . . . 4109 1 955 . 1 1 96 96 LEU HD12 H 1 0.694 0.005 . 2 . . . . . . . . 4109 1 956 . 1 1 96 96 LEU HD13 H 1 0.694 0.005 . 2 . . . . . . . . 4109 1 957 . 1 1 96 96 LEU CD2 C 13 24.423 0.050 . 2 . . . . . . . . 4109 1 958 . 1 1 96 96 LEU HD21 H 1 0.661 0.005 . 2 . . . . . . . . 4109 1 959 . 1 1 96 96 LEU HD22 H 1 0.661 0.005 . 2 . . . . . . . . 4109 1 960 . 1 1 96 96 LEU HD23 H 1 0.661 0.005 . 2 . . . . . . . . 4109 1 961 . 1 1 97 97 ARG N N 15 129.101 0.050 . 1 . . . . . . . . 4109 1 962 . 1 1 97 97 ARG H H 1 8.870 0.005 . 1 . . . . . . . . 4109 1 963 . 1 1 97 97 ARG CA C 13 53.940 0.050 . 1 . . . . . . . . 4109 1 964 . 1 1 97 97 ARG HA H 1 4.447 0.005 . 1 . . . . . . . . 4109 1 965 . 1 1 97 97 ARG CB C 13 32.233 0.050 . 1 . . . . . . . . 4109 1 966 . 1 1 97 97 ARG HB2 H 1 1.079 0.005 . 2 . . . . . . . . 4109 1 967 . 1 1 97 97 ARG HB3 H 1 -0.004 0.005 . 2 . . . . . . . . 4109 1 968 . 1 1 97 97 ARG CG C 13 26.892 0.050 . 1 . . . . . . . . 4109 1 969 . 1 1 97 97 ARG HG2 H 1 1.033 0.005 . 2 . . . . . . . . 4109 1 970 . 1 1 97 97 ARG HG3 H 1 0.843 0.005 . 2 . . . . . . . . 4109 1 971 . 1 1 97 97 ARG CD C 13 42.987 0.050 . 1 . . . . . . . . 4109 1 972 . 1 1 97 97 ARG HD2 H 1 2.691 0.005 . 2 . . . . . . . . 4109 1 973 . 1 1 97 97 ARG HD3 H 1 2.492 0.005 . 2 . . . . . . . . 4109 1 974 . 1 1 98 98 ILE N N 15 120.636 0.050 . 1 . . . . . . . . 4109 1 975 . 1 1 98 98 ILE H H 1 8.436 0.005 . 1 . . . . . . . . 4109 1 976 . 1 1 98 98 ILE CA C 13 58.902 0.050 . 1 . . . . . . . . 4109 1 977 . 1 1 98 98 ILE HA H 1 4.706 0.005 . 1 . . . . . . . . 4109 1 978 . 1 1 98 98 ILE CB C 13 38.244 0.050 . 1 . . . . . . . . 4109 1 979 . 1 1 98 98 ILE HB H 1 1.899 0.005 . 1 . . . . . . . . 4109 1 980 . 1 1 98 98 ILE CG1 C 13 27.915 0.050 . 1 . . . . . . . . 4109 1 981 . 1 1 98 98 ILE HG12 H 1 1.380 0.005 . 2 . . . . . . . . 4109 1 982 . 1 1 98 98 ILE HG13 H 1 1.193 0.005 . 2 . . . . . . . . 4109 1 983 . 1 1 98 98 ILE CG2 C 13 18.000 0.050 . 1 . . . . . . . . 4109 1 984 . 1 1 98 98 ILE HG21 H 1 0.865 0.005 . 1 . . . . . . . . 4109 1 985 . 1 1 98 98 ILE HG22 H 1 0.865 0.005 . 1 . . . . . . . . 4109 1 986 . 1 1 98 98 ILE HG23 H 1 0.865 0.005 . 1 . . . . . . . . 4109 1 987 . 1 1 98 98 ILE CD1 C 13 11.444 0.050 . 1 . . . . . . . . 4109 1 988 . 1 1 98 98 ILE HD11 H 1 0.659 0.005 . 1 . . . . . . . . 4109 1 989 . 1 1 98 98 ILE HD12 H 1 0.659 0.005 . 1 . . . . . . . . 4109 1 990 . 1 1 98 98 ILE HD13 H 1 0.659 0.005 . 1 . . . . . . . . 4109 1 991 . 1 1 99 99 LEU N N 15 130.035 0.050 . 1 . . . . . . . . 4109 1 992 . 1 1 99 99 LEU H H 1 8.897 0.005 . 1 . . . . . . . . 4109 1 993 . 1 1 99 99 LEU CA C 13 55.370 0.050 . 1 . . . . . . . . 4109 1 994 . 1 1 99 99 LEU HA H 1 4.520 0.005 . 1 . . . . . . . . 4109 1 995 . 1 1 99 99 LEU CB C 13 43.238 0.050 . 1 . . . . . . . . 4109 1 996 . 1 1 99 99 LEU CD1 C 13 24.910 0.050 . 2 . . . . . . . . 4109 1 997 . 1 1 99 99 LEU HD11 H 1 0.734 0.005 . 2 . . . . . . . . 4109 1 998 . 1 1 99 99 LEU HD12 H 1 0.734 0.005 . 2 . . . . . . . . 4109 1 999 . 1 1 99 99 LEU HD13 H 1 0.734 0.005 . 2 . . . . . . . . 4109 1 1000 . 1 1 99 99 LEU CD2 C 13 24.107 0.050 . 2 . . . . . . . . 4109 1 1001 . 1 1 99 99 LEU HD21 H 1 0.719 0.005 . 2 . . . . . . . . 4109 1 1002 . 1 1 99 99 LEU HD22 H 1 0.719 0.005 . 2 . . . . . . . . 4109 1 1003 . 1 1 99 99 LEU HD23 H 1 0.719 0.005 . 2 . . . . . . . . 4109 1 1004 . 1 1 99 99 LEU HB2 H 1 1.598 0.005 . 1 . . . . . . . . 4109 1 1005 . 1 1 99 99 LEU HB3 H 1 1.598 0.005 . 1 . . . . . . . . 4109 1 1006 . 1 1 100 100 GLU N N 15 125.657 0.050 . 1 . . . . . . . . 4109 1 1007 . 1 1 100 100 GLU H H 1 8.394 0.005 . 1 . . . . . . . . 4109 1 1008 . 1 1 100 100 GLU CA C 13 55.864 0.050 . 1 . . . . . . . . 4109 1 1009 . 1 1 100 100 GLU HA H 1 4.349 0.005 . 1 . . . . . . . . 4109 1 1010 . 1 1 100 100 GLU CB C 13 28.918 0.050 . 1 . . . . . . . . 4109 1 1011 . 1 1 100 100 GLU HB2 H 1 2.169 0.005 . 2 . . . . . . . . 4109 1 1012 . 1 1 100 100 GLU HB3 H 1 2.006 0.005 . 2 . . . . . . . . 4109 1 1013 . 1 1 100 100 GLU CG C 13 33.263 0.050 . 1 . . . . . . . . 4109 1 1014 . 1 1 100 100 GLU CD C 13 180.341 0.050 . 1 . . . . . . . . 4109 1 1015 . 1 1 100 100 GLU HG2 H 1 2.493 0.005 . 1 . . . . . . . . 4109 1 1016 . 1 1 100 100 GLU HG3 H 1 2.493 0.005 . 1 . . . . . . . . 4109 1 stop_ save_ save_chemical_shift_assignment_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_two _Assigned_chem_shift_list.Entry_ID 4109 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_two _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4109 2 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 2 2 ARG N N 15 124.826 0.050 . 1 . . . . . . . . 4109 2 2 . 1 1 2 2 ARG H H 1 8.810 0.005 . 1 . . . . . . . . 4109 2 3 . 1 1 2 2 ARG CA C 13 56.542 0.005 . 1 . . . . . . . . 4109 2 4 . 1 1 2 2 ARG HA H 1 4.429 0.005 . 1 . . . . . . . . 4109 2 5 . 1 1 2 2 ARG CB C 13 31.094 0.005 . 1 . . . . . . . . 4109 2 6 . 1 1 2 2 ARG HB2 H 1 1.901 0.005 . 2 . . . . . . . . 4109 2 7 . 1 1 2 2 ARG HB3 H 1 1.851 0.005 . 2 . . . . . . . . 4109 2 8 . 1 1 2 2 ARG CG C 13 27.179 0.005 . 1 . . . . . . . . 4109 2 9 . 1 1 2 2 ARG HG2 H 1 1.672 0.005 . 1 . . . . . . . . 4109 2 10 . 1 1 2 2 ARG HG3 H 1 1.672 0.005 . 1 . . . . . . . . 4109 2 11 . 1 1 2 2 ARG CD C 13 43.398 0.005 . 1 . . . . . . . . 4109 2 12 . 1 1 2 2 ARG HD2 H 1 3.231 0.005 . 1 . . . . . . . . 4109 2 13 . 1 1 2 2 ARG HD3 H 1 3.231 0.005 . 1 . . . . . . . . 4109 2 14 . 1 1 2 2 ARG NE N 15 85.585 0.005 . 1 . . . . . . . . 4109 2 15 . 1 1 2 2 ARG HE H 1 7.203 0.005 . 1 . . . . . . . . 4109 2 16 . 1 1 2 2 ARG CZ C 13 157.792 0.050 . 1 . . . . . . . . 4109 2 17 . 1 1 2 2 ARG C C 13 175.680 0.050 . 1 . . . . . . . . 4109 2 18 . 1 1 3 3 ASP N N 15 123.172 0.050 . 1 . . . . . . . . 4109 2 19 . 1 1 3 3 ASP H H 1 8.632 0.005 . 1 . . . . . . . . 4109 2 20 . 1 1 3 3 ASP CA C 13 54.584 0.005 . 1 . . . . . . . . 4109 2 21 . 1 1 3 3 ASP HA H 1 4.725 0.005 . 1 . . . . . . . . 4109 2 22 . 1 1 3 3 ASP CB C 13 41.255 0.005 . 1 . . . . . . . . 4109 2 23 . 1 1 3 3 ASP HB2 H 1 2.848 0.005 . 2 . . . . . . . . 4109 2 24 . 1 1 3 3 ASP HB3 H 1 2.756 0.005 . 2 . . . . . . . . 4109 2 25 . 1 1 3 3 ASP CG C 13 180.154 0.050 . 1 . . . . . . . . 4109 2 26 . 1 1 3 3 ASP C C 13 176.221 0.050 . 1 . . . . . . . . 4109 2 27 . 1 1 4 4 SER N N 15 117.632 0.050 . 1 . . . . . . . . 4109 2 28 . 1 1 4 4 SER H H 1 8.459 0.005 . 1 . . . . . . . . 4109 2 29 . 1 1 4 4 SER CA C 13 58.593 0.005 . 1 . . . . . . . . 4109 2 30 . 1 1 4 4 SER HA H 1 4.670 0.005 . 1 . . . . . . . . 4109 2 31 . 1 1 4 4 SER CB C 13 64.186 0.005 . 1 . . . . . . . . 4109 2 32 . 1 1 4 4 SER HB2 H 1 3.955 0.005 . 1 . . . . . . . . 4109 2 33 . 1 1 4 4 SER HB3 H 1 3.955 0.005 . 1 . . . . . . . . 4109 2 34 . 1 1 4 4 SER C C 13 175.156 0.050 . 1 . . . . . . . . 4109 2 35 . 1 1 5 5 GLY N N 15 111.681 0.050 . 1 . . . . . . . . 4109 2 36 . 1 1 5 5 GLY H H 1 8.562 0.005 . 1 . . . . . . . . 4109 2 37 . 1 1 5 5 GLY CA C 13 45.636 0.005 . 1 . . . . . . . . 4109 2 38 . 1 1 5 5 GLY HA2 H 1 4.268 0.005 . 2 . . . . . . . . 4109 2 39 . 1 1 5 5 GLY HA3 H 1 4.049 0.005 . 2 . . . . . . . . 4109 2 40 . 1 1 5 5 GLY C C 13 173.381 0.050 . 1 . . . . . . . . 4109 2 41 . 1 1 6 6 THR N N 15 118.797 0.050 . 1 . . . . . . . . 4109 2 42 . 1 1 6 6 THR H H 1 8.027 0.005 . 1 . . . . . . . . 4109 2 43 . 1 1 6 6 THR CA C 13 62.601 0.005 . 1 . . . . . . . . 4109 2 44 . 1 1 6 6 THR HA H 1 4.905 0.005 . 1 . . . . . . . . 4109 2 45 . 1 1 6 6 THR CB C 13 70.711 0.005 . 1 . . . . . . . . 4109 2 46 . 1 1 6 6 THR HB H 1 3.812 0.005 . 1 . . . . . . . . 4109 2 47 . 1 1 6 6 THR HG21 H 1 0.483 0.005 . 2 . . . . . . . . 4109 2 48 . 1 1 6 6 THR HG22 H 1 0.483 0.005 . 2 . . . . . . . . 4109 2 49 . 1 1 6 6 THR HG23 H 1 0.483 0.005 . 2 . . . . . . . . 4109 2 50 . 1 1 6 6 THR CG2 C 13 21.306 0.005 . 1 . . . . . . . . 4109 2 51 . 1 1 6 6 THR C C 13 173.354 0.050 . 1 . . . . . . . . 4109 2 52 . 1 1 7 7 VAL N N 15 128.868 0.050 . 1 . . . . . . . . 4109 2 53 . 1 1 7 7 VAL H H 1 9.011 0.005 . 1 . . . . . . . . 4109 2 54 . 1 1 7 7 VAL CA C 13 61.016 0.005 . 1 . . . . . . . . 4109 2 55 . 1 1 7 7 VAL HA H 1 4.317 0.005 . 1 . . . . . . . . 4109 2 56 . 1 1 7 7 VAL CB C 13 34.636 0.005 . 1 . . . . . . . . 4109 2 57 . 1 1 7 7 VAL HB H 1 1.837 0.005 . 1 . . . . . . . . 4109 2 58 . 1 1 7 7 VAL HG11 H 1 0.941 0.005 . 2 . . . . . . . . 4109 2 59 . 1 1 7 7 VAL HG12 H 1 0.941 0.005 . 2 . . . . . . . . 4109 2 60 . 1 1 7 7 VAL HG13 H 1 0.941 0.005 . 2 . . . . . . . . 4109 2 61 . 1 1 7 7 VAL HG21 H 1 0.913 0.005 . 2 . . . . . . . . 4109 2 62 . 1 1 7 7 VAL HG22 H 1 0.913 0.005 . 2 . . . . . . . . 4109 2 63 . 1 1 7 7 VAL HG23 H 1 0.913 0.005 . 2 . . . . . . . . 4109 2 64 . 1 1 7 7 VAL CG1 C 13 21.027 0.005 . 2 . . . . . . . . 4109 2 65 . 1 1 7 7 VAL CG2 C 13 21.679 0.005 . 2 . . . . . . . . 4109 2 66 . 1 1 7 7 VAL C C 13 173.069 0.050 . 1 . . . . . . . . 4109 2 67 . 1 1 8 8 TRP N N 15 126.526 0.050 . 1 . . . . . . . . 4109 2 68 . 1 1 8 8 TRP H H 1 8.519 0.005 . 1 . . . . . . . . 4109 2 69 . 1 1 8 8 TRP CA C 13 56.110 0.005 . 1 . . . . . . . . 4109 2 70 . 1 1 8 8 TRP HA H 1 5.299 0.005 . 1 . . . . . . . . 4109 2 71 . 1 1 8 8 TRP CB C 13 31.094 0.005 . 1 . . . . . . . . 4109 2 72 . 1 1 8 8 TRP HB2 H 1 2.990 0.005 . 1 . . . . . . . . 4109 2 73 . 1 1 8 8 TRP HB3 H 1 2.990 0.005 . 1 . . . . . . . . 4109 2 74 . 1 1 8 8 TRP CD1 C 13 127.001 0.050 . 1 . . . . . . . . 4109 2 75 . 1 1 8 8 TRP CE3 C 13 120.750 0.050 . 1 . . . . . . . . 4109 2 76 . 1 1 8 8 TRP NE1 N 15 130.070 0.050 . 1 . . . . . . . . 4109 2 77 . 1 1 8 8 TRP HD1 H 1 7.115 0.005 . 1 . . . . . . . . 4109 2 78 . 1 1 8 8 TRP HE3 H 1 7.273 0.005 . 1 . . . . . . . . 4109 2 79 . 1 1 8 8 TRP CZ3 C 13 122.447 0.050 . 1 . . . . . . . . 4109 2 80 . 1 1 8 8 TRP CZ2 C 13 114.361 0.050 . 1 . . . . . . . . 4109 2 81 . 1 1 8 8 TRP HE1 H 1 10.166 0.005 . 1 . . . . . . . . 4109 2 82 . 1 1 8 8 TRP HZ3 H 1 7.030 0.005 . 1 . . . . . . . . 4109 2 83 . 1 1 8 8 TRP CH2 C 13 124.414 0.050 . 1 . . . . . . . . 4109 2 84 . 1 1 8 8 TRP HZ2 H 1 7.421 0.005 . 1 . . . . . . . . 4109 2 85 . 1 1 8 8 TRP HH2 H 1 7.148 0.005 . 1 . . . . . . . . 4109 2 86 . 1 1 8 8 TRP C C 13 176.615 0.050 . 1 . . . . . . . . 4109 2 87 . 1 1 9 9 GLY N N 15 109.466 0.050 . 1 . . . . . . . . 4109 2 88 . 1 1 9 9 GLY H H 1 8.869 0.005 . 1 . . . . . . . . 4109 2 89 . 1 1 9 9 GLY CA C 13 43.958 0.005 . 1 . . . . . . . . 4109 2 90 . 1 1 9 9 GLY HA2 H 1 4.650 0.005 . 2 . . . . . . . . 4109 2 91 . 1 1 9 9 GLY HA3 H 1 3.262 0.005 . 2 . . . . . . . . 4109 2 92 . 1 1 9 9 GLY C C 13 170.857 0.050 . 1 . . . . . . . . 4109 2 93 . 1 1 10 10 ALA N N 15 124.804 0.050 . 1 . . . . . . . . 4109 2 94 . 1 1 10 10 ALA H H 1 8.299 0.005 . 1 . . . . . . . . 4109 2 95 . 1 1 10 10 ALA CA C 13 50.296 0.005 . 1 . . . . . . . . 4109 2 96 . 1 1 10 10 ALA HA H 1 4.894 0.005 . 1 . . . . . . . . 4109 2 97 . 1 1 10 10 ALA HB1 H 1 1.145 0.005 . 1 . . . . . . . . 4109 2 98 . 1 1 10 10 ALA HB2 H 1 1.145 0.005 . 1 . . . . . . . . 4109 2 99 . 1 1 10 10 ALA HB3 H 1 1.145 0.005 . 1 . . . . . . . . 4109 2 100 . 1 1 10 10 ALA CB C 13 20.467 0.005 . 1 . . . . . . . . 4109 2 101 . 1 1 10 10 ALA C C 13 176.984 0.050 . 1 . . . . . . . . 4109 2 102 . 1 1 11 11 LEU N N 15 123.040 0.050 . 1 . . . . . . . . 4109 2 103 . 1 1 11 11 LEU H H 1 8.689 0.005 . 1 . . . . . . . . 4109 2 104 . 1 1 11 11 LEU CA C 13 56.169 0.005 . 1 . . . . . . . . 4109 2 105 . 1 1 11 11 LEU HA H 1 3.808 0.005 . 1 . . . . . . . . 4109 2 106 . 1 1 11 11 LEU CB C 13 42.000 0.005 . 1 . . . . . . . . 4109 2 107 . 1 1 11 11 LEU HB2 H 1 1.646 0.005 . 2 . . . . . . . . 4109 2 108 . 1 1 11 11 LEU HB3 H 1 1.559 0.005 . 2 . . . . . . . . 4109 2 109 . 1 1 11 11 LEU CG C 13 26.620 0.005 . 1 . . . . . . . . 4109 2 110 . 1 1 11 11 LEU HG H 1 1.757 0.005 . 1 . . . . . . . . 4109 2 111 . 1 1 11 11 LEU HD11 H 1 0.969 0.005 . 2 . . . . . . . . 4109 2 112 . 1 1 11 11 LEU HD12 H 1 0.969 0.005 . 2 . . . . . . . . 4109 2 113 . 1 1 11 11 LEU HD13 H 1 0.969 0.005 . 2 . . . . . . . . 4109 2 114 . 1 1 11 11 LEU HD21 H 1 0.820 0.005 . 2 . . . . . . . . 4109 2 115 . 1 1 11 11 LEU HD22 H 1 0.820 0.005 . 2 . . . . . . . . 4109 2 116 . 1 1 11 11 LEU HD23 H 1 0.820 0.005 . 2 . . . . . . . . 4109 2 117 . 1 1 11 11 LEU CD1 C 13 25.221 0.005 . 2 . . . . . . . . 4109 2 118 . 1 1 11 11 LEU CD2 C 13 24.382 0.005 . 2 . . . . . . . . 4109 2 119 . 1 1 11 11 LEU C C 13 179.413 0.050 . 1 . . . . . . . . 4109 2 120 . 1 1 12 12 GLY N N 15 112.388 0.050 . 1 . . . . . . . . 4109 2 121 . 1 1 12 12 GLY H H 1 9.367 0.005 . 1 . . . . . . . . 4109 2 122 . 1 1 12 12 GLY CA C 13 45.636 0.005 . 1 . . . . . . . . 4109 2 123 . 1 1 12 12 GLY HA2 H 1 4.090 0.005 . 2 . . . . . . . . 4109 2 124 . 1 1 12 12 GLY HA3 H 1 3.906 0.005 . 2 . . . . . . . . 4109 2 125 . 1 1 12 12 GLY C C 13 173.959 0.050 . 1 . . . . . . . . 4109 2 126 . 1 1 13 13 HIS N N 15 117.801 0.050 . 1 . . . . . . . . 4109 2 127 . 1 1 13 13 HIS H H 1 7.903 0.005 . 1 . . . . . . . . 4109 2 128 . 1 1 13 13 HIS CA C 13 53.932 0.005 . 1 . . . . . . . . 4109 2 129 . 1 1 13 13 HIS HA H 1 4.958 0.005 . 1 . . . . . . . . 4109 2 130 . 1 1 13 13 HIS CB C 13 31.280 0.005 . 1 . . . . . . . . 4109 2 131 . 1 1 13 13 HIS HB2 H 1 3.429 0.005 . 2 . . . . . . . . 4109 2 132 . 1 1 13 13 HIS HB3 H 1 3.321 0.005 . 2 . . . . . . . . 4109 2 133 . 1 1 13 13 HIS CD2 C 13 120.004 0.050 . 1 . . . . . . . . 4109 2 134 . 1 1 13 13 HIS HD2 H 1 7.206 0.005 . 1 . . . . . . . . 4109 2 135 . 1 1 13 13 HIS CE1 C 13 136.257 0.050 . 1 . . . . . . . . 4109 2 136 . 1 1 13 13 HIS HE1 H 1 8.552 0.005 . 1 . . . . . . . . 4109 2 137 . 1 1 13 13 HIS C C 13 174.375 0.050 . 1 . . . . . . . . 4109 2 138 . 1 1 14 14 GLY N N 15 110.116 0.050 . 1 . . . . . . . . 4109 2 139 . 1 1 14 14 GLY H H 1 8.643 0.005 . 1 . . . . . . . . 4109 2 140 . 1 1 14 14 GLY CA C 13 45.076 0.005 . 1 . . . . . . . . 4109 2 141 . 1 1 14 14 GLY HA2 H 1 4.688 0.005 . 2 . . . . . . . . 4109 2 142 . 1 1 14 14 GLY HA3 H 1 3.579 0.005 . 2 . . . . . . . . 4109 2 143 . 1 1 14 14 GLY C C 13 174.259 0.050 . 1 . . . . . . . . 4109 2 144 . 1 1 15 15 ILE N N 15 120.807 0.050 . 1 . . . . . . . . 4109 2 145 . 1 1 15 15 ILE H H 1 8.662 0.005 . 1 . . . . . . . . 4109 2 146 . 1 1 15 15 ILE CA C 13 59.245 0.005 . 1 . . . . . . . . 4109 2 147 . 1 1 15 15 ILE HA H 1 4.543 0.005 . 1 . . . . . . . . 4109 2 148 . 1 1 15 15 ILE CB C 13 41.814 0.005 . 1 . . . . . . . . 4109 2 149 . 1 1 15 15 ILE HB H 1 1.844 0.005 . 1 . . . . . . . . 4109 2 150 . 1 1 15 15 ILE HG21 H 1 0.737 0.005 . 1 . . . . . . . . 4109 2 151 . 1 1 15 15 ILE HG22 H 1 0.737 0.005 . 1 . . . . . . . . 4109 2 152 . 1 1 15 15 ILE HG23 H 1 0.737 0.005 . 1 . . . . . . . . 4109 2 153 . 1 1 15 15 ILE CG2 C 13 18.044 0.005 . 1 . . . . . . . . 4109 2 154 . 1 1 15 15 ILE CG1 C 13 29.043 0.005 . 1 . . . . . . . . 4109 2 155 . 1 1 15 15 ILE HG12 H 1 1.428 0.005 . 1 . . . . . . . . 4109 2 156 . 1 1 15 15 ILE HG13 H 1 1.039 0.005 . 1 . . . . . . . . 4109 2 157 . 1 1 15 15 ILE HD11 H 1 0.883 0.005 . 1 . . . . . . . . 4109 2 158 . 1 1 15 15 ILE HD12 H 1 0.883 0.005 . 1 . . . . . . . . 4109 2 159 . 1 1 15 15 ILE HD13 H 1 0.883 0.005 . 1 . . . . . . . . 4109 2 160 . 1 1 15 15 ILE CD1 C 13 14.781 0.005 . 1 . . . . . . . . 4109 2 161 . 1 1 15 15 ILE C C 13 171.074 0.050 . 1 . . . . . . . . 4109 2 162 . 1 1 16 16 ASN N N 15 124.034 0.050 . 1 . . . . . . . . 4109 2 163 . 1 1 16 16 ASN H H 1 7.855 0.005 . 1 . . . . . . . . 4109 2 164 . 1 1 16 16 ASN CA C 13 51.229 0.005 . 1 . . . . . . . . 4109 2 165 . 1 1 16 16 ASN HA H 1 5.323 0.005 . 1 . . . . . . . . 4109 2 166 . 1 1 16 16 ASN CB C 13 39.111 0.005 . 1 . . . . . . . . 4109 2 167 . 1 1 16 16 ASN HB2 H 1 2.593 0.005 . 2 . . . . . . . . 4109 2 168 . 1 1 16 16 ASN HB3 H 1 2.233 0.005 . 2 . . . . . . . . 4109 2 169 . 1 1 16 16 ASN CG C 13 175.960 0.050 . 1 . . . . . . . . 4109 2 170 . 1 1 16 16 ASN ND2 N 15 111.041 0.050 . 1 . . . . . . . . 4109 2 171 . 1 1 16 16 ASN HD21 H 1 7.339 0.005 . 1 . . . . . . . . 4109 2 172 . 1 1 16 16 ASN HD22 H 1 6.486 0.005 . 1 . . . . . . . . 4109 2 173 . 1 1 16 16 ASN C C 13 174.179 0.050 . 1 . . . . . . . . 4109 2 174 . 1 1 17 17 LEU N N 15 125.756 0.050 . 1 . . . . . . . . 4109 2 175 . 1 1 17 17 LEU H H 1 9.369 0.005 . 1 . . . . . . . . 4109 2 176 . 1 1 17 17 LEU CA C 13 54.025 0.005 . 1 . . . . . . . . 4109 2 177 . 1 1 17 17 LEU HA H 1 4.305 0.005 . 1 . . . . . . . . 4109 2 178 . 1 1 17 17 LEU CB C 13 41.348 0.005 . 1 . . . . . . . . 4109 2 179 . 1 1 17 17 LEU HB2 H 1 1.242 0.005 . 2 . . . . . . . . 4109 2 180 . 1 1 17 17 LEU HB3 H 1 1.046 0.005 . 2 . . . . . . . . 4109 2 181 . 1 1 17 17 LEU CG C 13 27.272 0.005 . 1 . . . . . . . . 4109 2 182 . 1 1 17 17 LEU HG H 1 1.161 0.005 . 1 . . . . . . . . 4109 2 183 . 1 1 17 17 LEU HD11 H 1 0.479 0.005 . 2 . . . . . . . . 4109 2 184 . 1 1 17 17 LEU HD12 H 1 0.479 0.005 . 2 . . . . . . . . 4109 2 185 . 1 1 17 17 LEU HD13 H 1 0.479 0.005 . 2 . . . . . . . . 4109 2 186 . 1 1 17 17 LEU HD21 H 1 0.106 0.005 . 2 . . . . . . . . 4109 2 187 . 1 1 17 17 LEU HD22 H 1 0.106 0.005 . 2 . . . . . . . . 4109 2 188 . 1 1 17 17 LEU HD23 H 1 0.106 0.005 . 2 . . . . . . . . 4109 2 189 . 1 1 17 17 LEU CD1 C 13 24.103 0.005 . 2 . . . . . . . . 4109 2 190 . 1 1 17 17 LEU CD2 C 13 25.408 0.005 . 2 . . . . . . . . 4109 2 191 . 1 1 17 17 LEU C C 13 173.943 0.050 . 1 . . . . . . . . 4109 2 192 . 1 1 18 18 ASN N N 15 120.506 0.050 . 1 . . . . . . . . 4109 2 193 . 1 1 18 18 ASN H H 1 8.072 0.005 . 1 . . . . . . . . 4109 2 194 . 1 1 18 18 ASN CA C 13 51.881 0.005 . 1 . . . . . . . . 4109 2 195 . 1 1 18 18 ASN HA H 1 4.836 0.005 . 1 . . . . . . . . 4109 2 196 . 1 1 18 18 ASN CB C 13 40.695 0.005 . 1 . . . . . . . . 4109 2 197 . 1 1 18 18 ASN HB2 H 1 2.707 0.005 . 2 . . . . . . . . 4109 2 198 . 1 1 18 18 ASN HB3 H 1 2.547 0.005 . 2 . . . . . . . . 4109 2 199 . 1 1 18 18 ASN CG C 13 176.892 0.050 . 1 . . . . . . . . 4109 2 200 . 1 1 18 18 ASN ND2 N 15 112.627 0.050 . 1 . . . . . . . . 4109 2 201 . 1 1 18 18 ASN HD21 H 1 7.972 0.005 . 1 . . . . . . . . 4109 2 202 . 1 1 18 18 ASN HD22 H 1 6.785 0.005 . 1 . . . . . . . . 4109 2 203 . 1 1 18 18 ASN C C 13 174.928 0.050 . 1 . . . . . . . . 4109 2 204 . 1 1 19 19 ILE N N 15 124.306 0.050 . 1 . . . . . . . . 4109 2 205 . 1 1 19 19 ILE H H 1 8.230 0.005 . 1 . . . . . . . . 4109 2 206 . 1 1 19 19 ILE CA C 13 60.457 0.005 . 1 . . . . . . . . 4109 2 207 . 1 1 19 19 ILE HA H 1 3.957 0.005 . 1 . . . . . . . . 4109 2 208 . 1 1 19 19 ILE CB C 13 37.339 0.005 . 1 . . . . . . . . 4109 2 209 . 1 1 19 19 ILE HB H 1 1.967 0.005 . 1 . . . . . . . . 4109 2 210 . 1 1 19 19 ILE HG21 H 1 0.391 0.005 . 1 . . . . . . . . 4109 2 211 . 1 1 19 19 ILE HG22 H 1 0.391 0.005 . 1 . . . . . . . . 4109 2 212 . 1 1 19 19 ILE HG23 H 1 0.391 0.005 . 1 . . . . . . . . 4109 2 213 . 1 1 19 19 ILE CG2 C 13 18.137 0.005 . 1 . . . . . . . . 4109 2 214 . 1 1 19 19 ILE CG1 C 13 28.950 0.005 . 1 . . . . . . . . 4109 2 215 . 1 1 19 19 ILE HG12 H 1 2.134 0.005 . 1 . . . . . . . . 4109 2 216 . 1 1 19 19 ILE HG13 H 1 0.685 0.005 . 1 . . . . . . . . 4109 2 217 . 1 1 19 19 ILE HD11 H 1 0.485 0.005 . 1 . . . . . . . . 4109 2 218 . 1 1 19 19 ILE HD12 H 1 0.485 0.005 . 1 . . . . . . . . 4109 2 219 . 1 1 19 19 ILE HD13 H 1 0.485 0.005 . 1 . . . . . . . . 4109 2 220 . 1 1 19 19 ILE CD1 C 13 12.917 0.005 . 1 . . . . . . . . 4109 2 221 . 1 1 19 19 ILE C C 13 174.655 0.050 . 1 . . . . . . . . 4109 2 222 . 1 1 20 20 PRO CD C 13 50.390 0.005 . 1 . . . . . . . . 4109 2 223 . 1 1 20 20 PRO CA C 13 63.254 0.005 . 1 . . . . . . . . 4109 2 224 . 1 1 20 20 PRO HA H 1 4.356 0.005 . 1 . . . . . . . . 4109 2 225 . 1 1 20 20 PRO CB C 13 32.213 0.005 . 1 . . . . . . . . 4109 2 226 . 1 1 20 20 PRO HB2 H 1 2.301 0.005 . 2 . . . . . . . . 4109 2 227 . 1 1 20 20 PRO HB3 H 1 1.860 0.005 . 2 . . . . . . . . 4109 2 228 . 1 1 20 20 PRO CG C 13 27.552 0.005 . 1 . . . . . . . . 4109 2 229 . 1 1 20 20 PRO HG2 H 1 2.024 0.005 . 1 . . . . . . . . 4109 2 230 . 1 1 20 20 PRO HG3 H 1 2.024 0.005 . 1 . . . . . . . . 4109 2 231 . 1 1 20 20 PRO HD2 H 1 4.233 0.005 . 1 . . . . . . . . 4109 2 232 . 1 1 20 20 PRO HD3 H 1 3.252 0.005 . 1 . . . . . . . . 4109 2 233 . 1 1 20 20 PRO C C 13 176.612 0.050 . 1 . . . . . . . . 4109 2 234 . 1 1 21 21 ASN N N 15 117.598 0.050 . 1 . . . . . . . . 4109 2 235 . 1 1 21 21 ASN H H 1 8.856 0.005 . 1 . . . . . . . . 4109 2 236 . 1 1 21 21 ASN CA C 13 54.212 0.005 . 1 . . . . . . . . 4109 2 237 . 1 1 21 21 ASN HA H 1 4.293 0.005 . 1 . . . . . . . . 4109 2 238 . 1 1 21 21 ASN CB C 13 37.992 0.005 . 1 . . . . . . . . 4109 2 239 . 1 1 21 21 ASN HB2 H 1 3.004 0.005 . 2 . . . . . . . . 4109 2 240 . 1 1 21 21 ASN HB3 H 1 2.722 0.005 . 2 . . . . . . . . 4109 2 241 . 1 1 21 21 ASN CG C 13 178.756 0.050 . 1 . . . . . . . . 4109 2 242 . 1 1 21 21 ASN ND2 N 15 113.430 0.050 . 1 . . . . . . . . 4109 2 243 . 1 1 21 21 ASN HD21 H 1 7.600 0.005 . 1 . . . . . . . . 4109 2 244 . 1 1 21 21 ASN HD22 H 1 6.925 0.005 . 1 . . . . . . . . 4109 2 245 . 1 1 21 21 ASN C C 13 173.512 0.050 . 1 . . . . . . . . 4109 2 246 . 1 1 22 22 PHE N N 15 118.671 0.050 . 1 . . . . . . . . 4109 2 247 . 1 1 22 22 PHE H H 1 7.548 0.005 . 1 . . . . . . . . 4109 2 248 . 1 1 22 22 PHE CA C 13 57.567 0.005 . 1 . . . . . . . . 4109 2 249 . 1 1 22 22 PHE HA H 1 4.761 0.005 . 1 . . . . . . . . 4109 2 250 . 1 1 22 22 PHE CB C 13 43.398 0.005 . 1 . . . . . . . . 4109 2 251 . 1 1 22 22 PHE HB2 H 1 2.787 0.005 . 2 . . . . . . . . 4109 2 252 . 1 1 22 22 PHE HB3 H 1 2.438 0.005 . 2 . . . . . . . . 4109 2 253 . 1 1 22 22 PHE HD1 H 1 7.196 0.005 . 1 . . . . . . . . 4109 2 254 . 1 1 22 22 PHE HD2 H 1 7.196 0.005 . 1 . . . . . . . . 4109 2 255 . 1 1 22 22 PHE C C 13 173.585 0.050 . 1 . . . . . . . . 4109 2 256 . 1 1 23 23 GLN N N 15 126.922 0.050 . 1 . . . . . . . . 4109 2 257 . 1 1 23 23 GLN H H 1 7.021 0.005 . 1 . . . . . . . . 4109 2 258 . 1 1 23 23 GLN CA C 13 53.745 0.005 . 1 . . . . . . . . 4109 2 259 . 1 1 23 23 GLN HA H 1 4.222 0.005 . 1 . . . . . . . . 4109 2 260 . 1 1 23 23 GLN CB C 13 31.450 0.005 . 1 . . . . . . . . 4109 2 261 . 1 1 23 23 GLN HB2 H 1 1.724 0.005 . 2 . . . . . . . . 4109 2 262 . 1 1 23 23 GLN HB3 H 1 1.641 0.005 . 2 . . . . . . . . 4109 2 263 . 1 1 23 23 GLN CG C 13 33.424 0.005 . 1 . . . . . . . . 4109 2 264 . 1 1 23 23 GLN HG2 H 1 2.121 0.005 . 1 . . . . . . . . 4109 2 265 . 1 1 23 23 GLN HG3 H 1 2.121 0.005 . 1 . . . . . . . . 4109 2 266 . 1 1 23 23 GLN CD C 13 180.680 0.050 . 1 . . . . . . . . 4109 2 267 . 1 1 23 23 GLN NE2 N 15 113.021 0.050 . 1 . . . . . . . . 4109 2 268 . 1 1 23 23 GLN HE21 H 1 7.406 0.005 . 1 . . . . . . . . 4109 2 269 . 1 1 23 23 GLN HE22 H 1 6.740 0.005 . 1 . . . . . . . . 4109 2 270 . 1 1 23 23 GLN C C 13 172.754 0.050 . 1 . . . . . . . . 4109 2 271 . 1 1 24 24 MET N N 15 124.340 0.050 . 1 . . . . . . . . 4109 2 272 . 1 1 24 24 MET H H 1 8.419 0.005 . 1 . . . . . . . . 4109 2 273 . 1 1 24 24 MET CA C 13 55.517 0.005 . 1 . . . . . . . . 4109 2 274 . 1 1 24 24 MET HA H 1 4.084 0.005 . 1 . . . . . . . . 4109 2 275 . 1 1 24 24 MET CB C 13 31.280 0.005 . 1 . . . . . . . . 4109 2 276 . 1 1 24 24 MET HB2 H 1 1.976 0.005 . 2 . . . . . . . . 4109 2 277 . 1 1 24 24 MET HB3 H 1 1.914 0.005 . 2 . . . . . . . . 4109 2 278 . 1 1 24 24 MET CG C 13 31.933 0.005 . 1 . . . . . . . . 4109 2 279 . 1 1 24 24 MET HG2 H 1 2.738 0.005 . 2 . . . . . . . . 4109 2 280 . 1 1 24 24 MET HG3 H 1 2.362 0.005 . 2 . . . . . . . . 4109 2 281 . 1 1 24 24 MET C C 13 175.563 0.050 . 1 . . . . . . . . 4109 2 282 . 1 1 25 25 THR N N 15 117.163 0.050 . 1 . . . . . . . . 4109 2 283 . 1 1 25 25 THR H H 1 6.826 0.005 . 1 . . . . . . . . 4109 2 284 . 1 1 25 25 THR CA C 13 60.177 0.005 . 1 . . . . . . . . 4109 2 285 . 1 1 25 25 THR HA H 1 4.709 0.005 . 1 . . . . . . . . 4109 2 286 . 1 1 25 25 THR CB C 13 72.482 0.005 . 1 . . . . . . . . 4109 2 287 . 1 1 25 25 THR HB H 1 4.519 0.005 . 1 . . . . . . . . 4109 2 288 . 1 1 25 25 THR HG21 H 1 1.066 0.005 . 2 . . . . . . . . 4109 2 289 . 1 1 25 25 THR HG22 H 1 1.066 0.005 . 2 . . . . . . . . 4109 2 290 . 1 1 25 25 THR HG23 H 1 1.066 0.005 . 2 . . . . . . . . 4109 2 291 . 1 1 25 25 THR CG2 C 13 21.399 0.005 . 1 . . . . . . . . 4109 2 292 . 1 1 25 25 THR C C 13 175.523 0.050 . 1 . . . . . . . . 4109 2 293 . 1 1 26 26 ASP N N 15 119.337 0.050 . 1 . . . . . . . . 4109 2 294 . 1 1 26 26 ASP H H 1 8.731 0.005 . 1 . . . . . . . . 4109 2 295 . 1 1 26 26 ASP CA C 13 56.356 0.005 . 1 . . . . . . . . 4109 2 296 . 1 1 26 26 ASP HA H 1 4.531 0.005 . 1 . . . . . . . . 4109 2 297 . 1 1 26 26 ASP CB C 13 40.635 0.005 . 1 . . . . . . . . 4109 2 298 . 1 1 26 26 ASP HB2 H 1 2.785 0.005 . 2 . . . . . . . . 4109 2 299 . 1 1 26 26 ASP HB3 H 1 2.689 0.005 . 2 . . . . . . . . 4109 2 300 . 1 1 26 26 ASP CG C 13 180.154 0.050 . 1 . . . . . . . . 4109 2 301 . 1 1 26 26 ASP C C 13 175.654 0.050 . 1 . . . . . . . . 4109 2 302 . 1 1 27 27 ASP N N 15 116.510 0.050 . 1 . . . . . . . . 4109 2 303 . 1 1 27 27 ASP H H 1 8.128 0.005 . 1 . . . . . . . . 4109 2 304 . 1 1 27 27 ASP CA C 13 54.376 0.005 . 1 . . . . . . . . 4109 2 305 . 1 1 27 27 ASP HA H 1 4.740 0.005 . 1 . . . . . . . . 4109 2 306 . 1 1 27 27 ASP CB C 13 40.788 0.005 . 1 . . . . . . . . 4109 2 307 . 1 1 27 27 ASP HB2 H 1 2.735 0.005 . 2 . . . . . . . . 4109 2 308 . 1 1 27 27 ASP HB3 H 1 2.604 0.005 . 2 . . . . . . . . 4109 2 309 . 1 1 27 27 ASP CG C 13 180.434 0.050 . 1 . . . . . . . . 4109 2 310 . 1 1 27 27 ASP C C 13 175.121 0.050 . 1 . . . . . . . . 4109 2 311 . 1 1 28 28 ILE N N 15 120.158 0.050 . 1 . . . . . . . . 4109 2 312 . 1 1 28 28 ILE H H 1 7.522 0.005 . 1 . . . . . . . . 4109 2 313 . 1 1 28 28 ILE CA C 13 59.245 0.005 . 1 . . . . . . . . 4109 2 314 . 1 1 28 28 ILE HA H 1 4.176 0.005 . 1 . . . . . . . . 4109 2 315 . 1 1 28 28 ILE CB C 13 35.568 0.005 . 1 . . . . . . . . 4109 2 316 . 1 1 28 28 ILE HB H 1 2.677 0.005 . 1 . . . . . . . . 4109 2 317 . 1 1 28 28 ILE HG21 H 1 1.012 0.005 . 1 . . . . . . . . 4109 2 318 . 1 1 28 28 ILE HG22 H 1 1.012 0.005 . 1 . . . . . . . . 4109 2 319 . 1 1 28 28 ILE HG23 H 1 1.012 0.005 . 1 . . . . . . . . 4109 2 320 . 1 1 28 28 ILE CG2 C 13 18.603 0.005 . 1 . . . . . . . . 4109 2 321 . 1 1 28 28 ILE CG1 C 13 27.086 0.005 . 1 . . . . . . . . 4109 2 322 . 1 1 28 28 ILE HG12 H 1 2.057 0.005 . 1 . . . . . . . . 4109 2 323 . 1 1 28 28 ILE HG13 H 1 1.724 0.005 . 1 . . . . . . . . 4109 2 324 . 1 1 28 28 ILE HD11 H 1 0.862 0.005 . 1 . . . . . . . . 4109 2 325 . 1 1 28 28 ILE HD12 H 1 0.862 0.005 . 1 . . . . . . . . 4109 2 326 . 1 1 28 28 ILE HD13 H 1 0.862 0.005 . 1 . . . . . . . . 4109 2 327 . 1 1 28 28 ILE CD1 C 13 9.654 0.005 . 1 . . . . . . . . 4109 2 328 . 1 1 28 28 ILE C C 13 175.192 0.050 . 1 . . . . . . . . 4109 2 329 . 1 1 29 29 ASP N N 15 127.844 0.050 . 1 . . . . . . . . 4109 2 330 . 1 1 29 29 ASP H H 1 8.953 0.005 . 1 . . . . . . . . 4109 2 331 . 1 1 29 29 ASP CA C 13 55.051 0.005 . 1 . . . . . . . . 4109 2 332 . 1 1 29 29 ASP HA H 1 4.959 0.005 . 1 . . . . . . . . 4109 2 333 . 1 1 29 29 ASP CB C 13 45.948 0.005 . 1 . . . . . . . . 4109 2 334 . 1 1 29 29 ASP HB2 H 1 2.314 0.005 . 1 . . . . . . . . 4109 2 335 . 1 1 29 29 ASP HB3 H 1 2.314 0.005 . 1 . . . . . . . . 4109 2 336 . 1 1 29 29 ASP CG C 13 177.824 0.050 . 1 . . . . . . . . 4109 2 337 . 1 1 29 29 ASP C C 13 174.698 0.050 . 1 . . . . . . . . 4109 2 338 . 1 1 30 30 GLU N N 15 116.190 0.050 . 1 . . . . . . . . 4109 2 339 . 1 1 30 30 GLU H H 1 7.769 0.005 . 1 . . . . . . . . 4109 2 340 . 1 1 30 30 GLU CA C 13 54.398 0.005 . 1 . . . . . . . . 4109 2 341 . 1 1 30 30 GLU HA H 1 5.707 0.005 . 1 . . . . . . . . 4109 2 342 . 1 1 30 30 GLU CB C 13 34.450 0.005 . 1 . . . . . . . . 4109 2 343 . 1 1 30 30 GLU HB2 H 1 2.099 0.005 . 2 . . . . . . . . 4109 2 344 . 1 1 30 30 GLU HB3 H 1 1.945 0.005 . 2 . . . . . . . . 4109 2 345 . 1 1 30 30 GLU CG C 13 34.823 0.005 . 1 . . . . . . . . 4109 2 346 . 1 1 30 30 GLU HG2 H 1 2.611 0.005 . 2 . . . . . . . . 4109 2 347 . 1 1 30 30 GLU HG3 H 1 2.102 0.005 . 2 . . . . . . . . 4109 2 348 . 1 1 30 30 GLU CD C 13 180.384 0.050 . 1 . . . . . . . . 4109 2 349 . 1 1 30 30 GLU C C 13 174.772 0.050 . 1 . . . . . . . . 4109 2 350 . 1 1 31 31 VAL N N 15 126.091 0.050 . 1 . . . . . . . . 4109 2 351 . 1 1 31 31 VAL H H 1 9.105 0.005 . 1 . . . . . . . . 4109 2 352 . 1 1 31 31 VAL CA C 13 62.228 0.005 . 1 . . . . . . . . 4109 2 353 . 1 1 31 31 VAL HA H 1 4.755 0.005 . 1 . . . . . . . . 4109 2 354 . 1 1 31 31 VAL CB C 13 35.382 0.005 . 1 . . . . . . . . 4109 2 355 . 1 1 31 31 VAL HB H 1 2.174 0.005 . 1 . . . . . . . . 4109 2 356 . 1 1 31 31 VAL HG11 H 1 0.940 0.005 . 2 . . . . . . . . 4109 2 357 . 1 1 31 31 VAL HG12 H 1 0.940 0.005 . 2 . . . . . . . . 4109 2 358 . 1 1 31 31 VAL HG13 H 1 0.940 0.005 . 2 . . . . . . . . 4109 2 359 . 1 1 31 31 VAL HG21 H 1 0.840 0.005 . 2 . . . . . . . . 4109 2 360 . 1 1 31 31 VAL HG22 H 1 0.840 0.005 . 2 . . . . . . . . 4109 2 361 . 1 1 31 31 VAL HG23 H 1 0.840 0.005 . 2 . . . . . . . . 4109 2 362 . 1 1 31 31 VAL CG1 C 13 21.027 0.005 . 2 . . . . . . . . 4109 2 363 . 1 1 31 31 VAL CG2 C 13 21.772 0.005 . 2 . . . . . . . . 4109 2 364 . 1 1 31 31 VAL C C 13 174.469 0.050 . 1 . . . . . . . . 4109 2 365 . 1 1 32 32 ARG N N 15 127.878 0.050 . 1 . . . . . . . . 4109 2 366 . 1 1 32 32 ARG H H 1 9.348 0.005 . 1 . . . . . . . . 4109 2 367 . 1 1 32 32 ARG CA C 13 55.330 0.005 . 1 . . . . . . . . 4109 2 368 . 1 1 32 32 ARG HA H 1 5.133 0.005 . 1 . . . . . . . . 4109 2 369 . 1 1 32 32 ARG CB C 13 33.890 0.005 . 1 . . . . . . . . 4109 2 370 . 1 1 32 32 ARG HB2 H 1 1.913 0.005 . 2 . . . . . . . . 4109 2 371 . 1 1 32 32 ARG HB3 H 1 1.857 0.005 . 2 . . . . . . . . 4109 2 372 . 1 1 32 32 ARG CG C 13 28.391 0.005 . 1 . . . . . . . . 4109 2 373 . 1 1 32 32 ARG HG2 H 1 1.659 0.005 . 2 . . . . . . . . 4109 2 374 . 1 1 32 32 ARG HG3 H 1 1.489 0.005 . 2 . . . . . . . . 4109 2 375 . 1 1 32 32 ARG CD C 13 43.771 0.005 . 1 . . . . . . . . 4109 2 376 . 1 1 32 32 ARG HD2 H 1 3.231 0.005 . 1 . . . . . . . . 4109 2 377 . 1 1 32 32 ARG HD3 H 1 3.074 0.005 . 1 . . . . . . . . 4109 2 378 . 1 1 32 32 ARG NE N 15 84.666 0.005 . 1 . . . . . . . . 4109 2 379 . 1 1 32 32 ARG HE H 1 7.234 0.005 . 1 . . . . . . . . 4109 2 380 . 1 1 32 32 ARG CZ C 13 157.517 0.050 . 1 . . . . . . . . 4109 2 381 . 1 1 32 32 ARG C C 13 174.180 0.050 . 1 . . . . . . . . 4109 2 382 . 1 1 33 33 TRP N N 15 125.098 0.050 . 1 . . . . . . . . 4109 2 383 . 1 1 33 33 TRP H H 1 9.335 0.005 . 1 . . . . . . . . 4109 2 384 . 1 1 33 33 TRP CA C 13 56.542 0.005 . 1 . . . . . . . . 4109 2 385 . 1 1 33 33 TRP HA H 1 5.446 0.005 . 1 . . . . . . . . 4109 2 386 . 1 1 33 33 TRP CB C 13 32.213 0.005 . 1 . . . . . . . . 4109 2 387 . 1 1 33 33 TRP HB2 H 1 3.220 0.005 . 2 . . . . . . . . 4109 2 388 . 1 1 33 33 TRP HB3 H 1 2.996 0.005 . 2 . . . . . . . . 4109 2 389 . 1 1 33 33 TRP CD1 C 13 124.510 0.050 . 1 . . . . . . . . 4109 2 390 . 1 1 33 33 TRP CE3 C 13 119.054 0.050 . 1 . . . . . . . . 4109 2 391 . 1 1 33 33 TRP NE1 N 15 130.304 0.050 . 1 . . . . . . . . 4109 2 392 . 1 1 33 33 TRP HD1 H 1 6.797 0.005 . 1 . . . . . . . . 4109 2 393 . 1 1 33 33 TRP HE3 H 1 7.290 0.005 . 1 . . . . . . . . 4109 2 394 . 1 1 33 33 TRP CZ3 C 13 121.018 0.050 . 1 . . . . . . . . 4109 2 395 . 1 1 33 33 TRP CZ2 C 13 115.747 0.050 . 1 . . . . . . . . 4109 2 396 . 1 1 33 33 TRP HE1 H 1 10.570 0.005 . 1 . . . . . . . . 4109 2 397 . 1 1 33 33 TRP HZ3 H 1 6.683 0.005 . 1 . . . . . . . . 4109 2 398 . 1 1 33 33 TRP CH2 C 13 124.627 0.050 . 1 . . . . . . . . 4109 2 399 . 1 1 33 33 TRP HZ2 H 1 7.312 0.005 . 1 . . . . . . . . 4109 2 400 . 1 1 33 33 TRP HH2 H 1 6.595 0.005 . 1 . . . . . . . . 4109 2 401 . 1 1 33 33 TRP C C 13 175.943 0.050 . 1 . . . . . . . . 4109 2 402 . 1 1 34 34 GLU N N 15 123.812 0.050 . 1 . . . . . . . . 4109 2 403 . 1 1 34 34 GLU H H 1 9.587 0.005 . 1 . . . . . . . . 4109 2 404 . 1 1 34 34 GLU CA C 13 54.398 0.005 . 1 . . . . . . . . 4109 2 405 . 1 1 34 34 GLU HA H 1 5.272 0.005 . 1 . . . . . . . . 4109 2 406 . 1 1 34 34 GLU CB C 13 34.729 0.005 . 1 . . . . . . . . 4109 2 407 . 1 1 34 34 GLU HB2 H 1 1.937 0.005 . 1 . . . . . . . . 4109 2 408 . 1 1 34 34 GLU HB3 H 1 1.937 0.005 . 1 . . . . . . . . 4109 2 409 . 1 1 34 34 GLU CG C 13 36.967 0.005 . 1 . . . . . . . . 4109 2 410 . 1 1 34 34 GLU HG2 H 1 2.132 0.005 . 2 . . . . . . . . 4109 2 411 . 1 1 34 34 GLU HG3 H 1 2.075 0.005 . 2 . . . . . . . . 4109 2 412 . 1 1 34 34 GLU CD C 13 182.670 0.050 . 1 . . . . . . . . 4109 2 413 . 1 1 34 34 GLU C C 13 174.830 0.050 . 1 . . . . . . . . 4109 2 414 . 1 1 35 35 ARG N N 15 124.100 0.050 . 1 . . . . . . . . 4109 2 415 . 1 1 35 35 ARG H H 1 8.753 0.005 . 1 . . . . . . . . 4109 2 416 . 1 1 35 35 ARG CA C 13 54.957 0.005 . 1 . . . . . . . . 4109 2 417 . 1 1 35 35 ARG HA H 1 4.515 0.005 . 1 . . . . . . . . 4109 2 418 . 1 1 35 35 ARG CB C 13 31.280 0.005 . 1 . . . . . . . . 4109 2 419 . 1 1 35 35 ARG HB2 H 1 1.553 0.005 . 2 . . . . . . . . 4109 2 420 . 1 1 35 35 ARG HB3 H 1 1.094 0.005 . 2 . . . . . . . . 4109 2 421 . 1 1 35 35 ARG CG C 13 26.620 0.005 . 1 . . . . . . . . 4109 2 422 . 1 1 35 35 ARG HG2 H 1 1.073 0.005 . 2 . . . . . . . . 4109 2 423 . 1 1 35 35 ARG HG3 H 1 0.977 0.005 . 2 . . . . . . . . 4109 2 424 . 1 1 35 35 ARG CD C 13 43.398 0.005 . 1 . . . . . . . . 4109 2 425 . 1 1 35 35 ARG HD2 H 1 2.865 0.005 . 1 . . . . . . . . 4109 2 426 . 1 1 35 35 ARG HD3 H 1 2.717 0.005 . 1 . . . . . . . . 4109 2 427 . 1 1 35 35 ARG NE N 15 85.474 0.005 . 1 . . . . . . . . 4109 2 428 . 1 1 35 35 ARG HE H 1 6.875 0.005 . 1 . . . . . . . . 4109 2 429 . 1 1 35 35 ARG CZ C 13 157.945 0.050 . 1 . . . . . . . . 4109 2 430 . 1 1 35 35 ARG C C 13 176.865 0.050 . 1 . . . . . . . . 4109 2 431 . 1 1 36 36 GLY N N 15 119.883 0.050 . 1 . . . . . . . . 4109 2 432 . 1 1 36 36 GLY H H 1 8.977 0.005 . 1 . . . . . . . . 4109 2 433 . 1 1 36 36 GLY CA C 13 47.407 0.005 . 1 . . . . . . . . 4109 2 434 . 1 1 36 36 GLY HA2 H 1 4.033 0.005 . 2 . . . . . . . . 4109 2 435 . 1 1 36 36 GLY HA3 H 1 3.649 0.005 . 2 . . . . . . . . 4109 2 436 . 1 1 36 36 GLY C C 13 174.646 0.050 . 1 . . . . . . . . 4109 2 437 . 1 1 37 37 SER N N 15 121.974 0.050 . 1 . . . . . . . . 4109 2 438 . 1 1 37 37 SER H H 1 8.817 0.005 . 1 . . . . . . . . 4109 2 439 . 1 1 37 37 SER CA C 13 58.220 0.005 . 1 . . . . . . . . 4109 2 440 . 1 1 37 37 SER HA H 1 4.533 0.005 . 1 . . . . . . . . 4109 2 441 . 1 1 37 37 SER CB C 13 63.347 0.005 . 1 . . . . . . . . 4109 2 442 . 1 1 37 37 SER HB2 H 1 4.059 0.005 . 2 . . . . . . . . 4109 2 443 . 1 1 37 37 SER HB3 H 1 3.902 0.005 . 2 . . . . . . . . 4109 2 444 . 1 1 37 37 SER C C 13 174.089 0.050 . 1 . . . . . . . . 4109 2 445 . 1 1 38 38 THR N N 15 120.196 0.050 . 1 . . . . . . . . 4109 2 446 . 1 1 38 38 THR H H 1 8.193 0.005 . 1 . . . . . . . . 4109 2 447 . 1 1 38 38 THR CA C 13 62.135 0.005 . 1 . . . . . . . . 4109 2 448 . 1 1 38 38 THR HA H 1 4.418 0.005 . 1 . . . . . . . . 4109 2 449 . 1 1 38 38 THR CB C 13 70.431 0.005 . 1 . . . . . . . . 4109 2 450 . 1 1 38 38 THR HB H 1 4.262 0.005 . 1 . . . . . . . . 4109 2 451 . 1 1 38 38 THR HG21 H 1 1.170 0.005 . 2 . . . . . . . . 4109 2 452 . 1 1 38 38 THR HG22 H 1 1.170 0.005 . 2 . . . . . . . . 4109 2 453 . 1 1 38 38 THR HG23 H 1 1.170 0.005 . 2 . . . . . . . . 4109 2 454 . 1 1 38 38 THR CG2 C 13 21.493 0.005 . 1 . . . . . . . . 4109 2 455 . 1 1 38 38 THR C C 13 173.265 0.050 . 1 . . . . . . . . 4109 2 456 . 1 1 39 39 LEU N N 15 130.918 0.050 . 1 . . . . . . . . 4109 2 457 . 1 1 39 39 LEU H H 1 8.773 0.005 . 1 . . . . . . . . 4109 2 458 . 1 1 39 39 LEU CA C 13 56.187 0.005 . 1 . . . . . . . . 4109 2 459 . 1 1 39 39 LEU HA H 1 4.364 0.005 . 1 . . . . . . . . 4109 2 460 . 1 1 39 39 LEU CB C 13 42.373 0.005 . 1 . . . . . . . . 4109 2 461 . 1 1 39 39 LEU HB2 H 1 1.821 0.005 . 2 . . . . . . . . 4109 2 462 . 1 1 39 39 LEU HB3 H 1 1.444 0.005 . 2 . . . . . . . . 4109 2 463 . 1 1 39 39 LEU CG C 13 26.992 0.005 . 1 . . . . . . . . 4109 2 464 . 1 1 39 39 LEU HG H 1 1.381 0.005 . 1 . . . . . . . . 4109 2 465 . 1 1 39 39 LEU HD11 H 1 0.954 0.005 . 2 . . . . . . . . 4109 2 466 . 1 1 39 39 LEU HD12 H 1 0.954 0.005 . 2 . . . . . . . . 4109 2 467 . 1 1 39 39 LEU HD13 H 1 0.954 0.005 . 2 . . . . . . . . 4109 2 468 . 1 1 39 39 LEU HD21 H 1 0.461 0.005 . 2 . . . . . . . . 4109 2 469 . 1 1 39 39 LEU HD22 H 1 0.461 0.005 . 2 . . . . . . . . 4109 2 470 . 1 1 39 39 LEU HD23 H 1 0.461 0.005 . 2 . . . . . . . . 4109 2 471 . 1 1 39 39 LEU CD1 C 13 23.637 0.005 . 2 . . . . . . . . 4109 2 472 . 1 1 39 39 LEU CD2 C 13 26.060 0.005 . 2 . . . . . . . . 4109 2 473 . 1 1 39 39 LEU C C 13 175.753 0.050 . 1 . . . . . . . . 4109 2 474 . 1 1 40 40 VAL N N 15 124.521 0.050 . 1 . . . . . . . . 4109 2 475 . 1 1 40 40 VAL H H 1 8.971 0.005 . 1 . . . . . . . . 4109 2 476 . 1 1 40 40 VAL CA C 13 62.508 0.005 . 1 . . . . . . . . 4109 2 477 . 1 1 40 40 VAL HA H 1 4.287 0.005 . 1 . . . . . . . . 4109 2 478 . 1 1 40 40 VAL CB C 13 32.585 0.005 . 1 . . . . . . . . 4109 2 479 . 1 1 40 40 VAL HB H 1 1.397 0.005 . 1 . . . . . . . . 4109 2 480 . 1 1 40 40 VAL HG11 H 1 0.680 0.005 . 2 . . . . . . . . 4109 2 481 . 1 1 40 40 VAL HG12 H 1 0.680 0.005 . 2 . . . . . . . . 4109 2 482 . 1 1 40 40 VAL HG13 H 1 0.680 0.005 . 2 . . . . . . . . 4109 2 483 . 1 1 40 40 VAL HG21 H 1 0.435 0.005 . 2 . . . . . . . . 4109 2 484 . 1 1 40 40 VAL HG22 H 1 0.435 0.005 . 2 . . . . . . . . 4109 2 485 . 1 1 40 40 VAL HG23 H 1 0.435 0.005 . 2 . . . . . . . . 4109 2 486 . 1 1 40 40 VAL CG1 C 13 20.560 0.005 . 2 . . . . . . . . 4109 2 487 . 1 1 40 40 VAL CG2 C 13 21.772 0.005 . 2 . . . . . . . . 4109 2 488 . 1 1 40 40 VAL C C 13 174.926 0.050 . 1 . . . . . . . . 4109 2 489 . 1 1 41 41 ALA N N 15 119.016 0.050 . 1 . . . . . . . . 4109 2 490 . 1 1 41 41 ALA H H 1 7.882 0.005 . 1 . . . . . . . . 4109 2 491 . 1 1 41 41 ALA CA C 13 51.788 0.005 . 1 . . . . . . . . 4109 2 492 . 1 1 41 41 ALA HA H 1 5.430 0.005 . 1 . . . . . . . . 4109 2 493 . 1 1 41 41 ALA HB1 H 1 1.373 0.005 . 1 . . . . . . . . 4109 2 494 . 1 1 41 41 ALA HB2 H 1 1.373 0.005 . 1 . . . . . . . . 4109 2 495 . 1 1 41 41 ALA HB3 H 1 1.373 0.005 . 1 . . . . . . . . 4109 2 496 . 1 1 41 41 ALA CB C 13 23.823 0.005 . 1 . . . . . . . . 4109 2 497 . 1 1 41 41 ALA C C 13 175.498 0.050 . 1 . . . . . . . . 4109 2 498 . 1 1 42 42 GLU N N 15 122.285 0.050 . 1 . . . . . . . . 4109 2 499 . 1 1 42 42 GLU H H 1 9.706 0.005 . 1 . . . . . . . . 4109 2 500 . 1 1 42 42 GLU CA C 13 55.423 0.005 . 1 . . . . . . . . 4109 2 501 . 1 1 42 42 GLU HA H 1 5.620 0.005 . 1 . . . . . . . . 4109 2 502 . 1 1 42 42 GLU CB C 13 34.170 0.005 . 1 . . . . . . . . 4109 2 503 . 1 1 42 42 GLU HB2 H 1 2.253 0.005 . 1 . . . . . . . . 4109 2 504 . 1 1 42 42 GLU HB3 H 1 2.253 0.005 . 1 . . . . . . . . 4109 2 505 . 1 1 42 42 GLU CG C 13 34.077 0.005 . 1 . . . . . . . . 4109 2 506 . 1 1 42 42 GLU HG2 H 1 2.443 0.005 . 2 . . . . . . . . 4109 2 507 . 1 1 42 42 GLU HG3 H 1 2.154 0.005 . 2 . . . . . . . . 4109 2 508 . 1 1 42 42 GLU CD C 13 179.065 0.050 . 1 . . . . . . . . 4109 2 509 . 1 1 42 42 GLU C C 13 174.490 0.050 . 1 . . . . . . . . 4109 2 510 . 1 1 43 43 PHE N N 15 129.178 0.050 . 1 . . . . . . . . 4109 2 511 . 1 1 43 43 PHE H H 1 9.359 0.005 . 1 . . . . . . . . 4109 2 512 . 1 1 43 43 PHE CA C 13 56.076 0.005 . 1 . . . . . . . . 4109 2 513 . 1 1 43 43 PHE HA H 1 4.970 0.005 . 1 . . . . . . . . 4109 2 514 . 1 1 43 43 PHE CB C 13 41.814 0.005 . 1 . . . . . . . . 4109 2 515 . 1 1 43 43 PHE HB2 H 1 3.237 0.005 . 2 . . . . . . . . 4109 2 516 . 1 1 43 43 PHE HB3 H 1 3.007 0.005 . 2 . . . . . . . . 4109 2 517 . 1 1 43 43 PHE HD1 H 1 7.086 0.005 . 1 . . . . . . . . 4109 2 518 . 1 1 43 43 PHE HE1 H 1 7.225 0.005 . 1 . . . . . . . . 4109 2 519 . 1 1 43 43 PHE C C 13 173.455 0.050 . 1 . . . . . . . . 4109 2 520 . 1 1 44 44 LYS N N 15 130.940 0.050 . 1 . . . . . . . . 4109 2 521 . 1 1 44 44 LYS H H 1 8.523 0.005 . 1 . . . . . . . . 4109 2 522 . 1 1 44 44 LYS CA C 13 54.025 0.005 . 1 . . . . . . . . 4109 2 523 . 1 1 44 44 LYS HA H 1 4.902 0.005 . 1 . . . . . . . . 4109 2 524 . 1 1 44 44 LYS CB C 13 35.848 0.005 . 1 . . . . . . . . 4109 2 525 . 1 1 44 44 LYS HB2 H 1 1.646 0.005 . 2 . . . . . . . . 4109 2 526 . 1 1 44 44 LYS HB3 H 1 1.487 0.005 . 2 . . . . . . . . 4109 2 527 . 1 1 44 44 LYS CG C 13 25.221 0.005 . 1 . . . . . . . . 4109 2 528 . 1 1 44 44 LYS HG2 H 1 1.301 0.005 . 1 . . . . . . . . 4109 2 529 . 1 1 44 44 LYS HG3 H 1 1.301 0.005 . 1 . . . . . . . . 4109 2 530 . 1 1 44 44 LYS CD C 13 29.043 0.005 . 1 . . . . . . . . 4109 2 531 . 1 1 44 44 LYS HD2 H 1 1.519 0.005 . 1 . . . . . . . . 4109 2 532 . 1 1 44 44 LYS CE C 13 42.280 0.005 . 1 . . . . . . . . 4109 2 533 . 1 1 44 44 LYS HE2 H 1 2.932 0.005 . 1 . . . . . . . . 4109 2 534 . 1 1 44 44 LYS HE3 H 1 2.872 0.005 . 1 . . . . . . . . 4109 2 535 . 1 1 44 44 LYS C C 13 174.742 0.050 . 1 . . . . . . . . 4109 2 536 . 1 1 45 45 ARG N N 15 126.187 0.050 . 1 . . . . . . . . 4109 2 537 . 1 1 45 45 ARG H H 1 8.176 0.005 . 1 . . . . . . . . 4109 2 538 . 1 1 45 45 ARG CA C 13 58.500 0.005 . 1 . . . . . . . . 4109 2 539 . 1 1 45 45 ARG HA H 1 3.741 0.005 . 1 . . . . . . . . 4109 2 540 . 1 1 45 45 ARG CB C 13 29.975 0.005 . 1 . . . . . . . . 4109 2 541 . 1 1 45 45 ARG HB2 H 1 2.101 0.005 . 2 . . . . . . . . 4109 2 542 . 1 1 45 45 ARG HB3 H 1 1.942 0.005 . 2 . . . . . . . . 4109 2 543 . 1 1 45 45 ARG CG C 13 27.738 0.005 . 1 . . . . . . . . 4109 2 544 . 1 1 45 45 ARG HG2 H 1 1.993 0.005 . 2 . . . . . . . . 4109 2 545 . 1 1 45 45 ARG HG3 H 1 1.826 0.005 . 2 . . . . . . . . 4109 2 546 . 1 1 45 45 ARG CD C 13 43.026 0.005 . 1 . . . . . . . . 4109 2 547 . 1 1 45 45 ARG HD2 H 1 3.418 0.005 . 1 . . . . . . . . 4109 2 548 . 1 1 45 45 ARG HD3 H 1 3.380 0.005 . 1 . . . . . . . . 4109 2 549 . 1 1 45 45 ARG NE N 15 84.457 0.005 . 1 . . . . . . . . 4109 2 550 . 1 1 45 45 ARG HE H 1 7.533 0.005 . 1 . . . . . . . . 4109 2 551 . 1 1 45 45 ARG CZ C 13 157.762 0.050 . 1 . . . . . . . . 4109 2 552 . 1 1 45 45 ARG C C 13 176.682 0.050 . 1 . . . . . . . . 4109 2 553 . 1 1 46 46 LYS N N 15 116.648 0.050 . 1 . . . . . . . . 4109 2 554 . 1 1 46 46 LYS H H 1 8.726 0.005 . 1 . . . . . . . . 4109 2 555 . 1 1 46 46 LYS CA C 13 58.406 0.005 . 1 . . . . . . . . 4109 2 556 . 1 1 46 46 LYS HA H 1 3.876 0.005 . 1 . . . . . . . . 4109 2 557 . 1 1 46 46 LYS CB C 13 30.255 0.005 . 1 . . . . . . . . 4109 2 558 . 1 1 46 46 LYS HB2 H 1 2.154 0.005 . 2 . . . . . . . . 4109 2 559 . 1 1 46 46 LYS HB3 H 1 2.073 0.005 . 2 . . . . . . . . 4109 2 560 . 1 1 46 46 LYS CG C 13 25.967 0.005 . 1 . . . . . . . . 4109 2 561 . 1 1 46 46 LYS HG2 H 1 1.437 0.005 . 1 . . . . . . . . 4109 2 562 . 1 1 46 46 LYS HG3 H 1 1.437 0.005 . 1 . . . . . . . . 4109 2 563 . 1 1 46 46 LYS CD C 13 29.136 0.005 . 1 . . . . . . . . 4109 2 564 . 1 1 46 46 LYS HD2 H 1 1.749 0.005 . 1 . . . . . . . . 4109 2 565 . 1 1 46 46 LYS HD3 H 1 1.704 0.005 . 1 . . . . . . . . 4109 2 566 . 1 1 46 46 LYS CE C 13 42.187 0.005 . 1 . . . . . . . . 4109 2 567 . 1 1 46 46 LYS HE2 H 1 3.020 0.005 . 1 . . . . . . . . 4109 2 568 . 1 1 46 46 LYS HE3 H 1 3.020 0.005 . 1 . . . . . . . . 4109 2 569 . 1 1 46 46 LYS C C 13 175.307 0.050 . 1 . . . . . . . . 4109 2 570 . 1 1 47 47 MET N N 15 119.075 0.050 . 1 . . . . . . . . 4109 2 571 . 1 1 47 47 MET H H 1 7.990 0.005 . 1 . . . . . . . . 4109 2 572 . 1 1 47 47 MET CA C 13 53.745 0.005 . 1 . . . . . . . . 4109 2 573 . 1 1 47 47 MET HA H 1 4.825 0.005 . 1 . . . . . . . . 4109 2 574 . 1 1 47 47 MET CB C 13 35.568 0.005 . 1 . . . . . . . . 4109 2 575 . 1 1 47 47 MET HB2 H 1 2.093 0.005 . 2 . . . . . . . . 4109 2 576 . 1 1 47 47 MET HB3 H 1 1.812 0.005 . 2 . . . . . . . . 4109 2 577 . 1 1 47 47 MET CG C 13 32.119 0.005 . 1 . . . . . . . . 4109 2 578 . 1 1 47 47 MET HG2 H 1 2.483 0.005 . 1 . . . . . . . . 4109 2 579 . 1 1 47 47 MET HG3 H 1 2.483 0.005 . 1 . . . . . . . . 4109 2 580 . 1 1 47 47 MET C C 13 176.064 0.050 . 1 . . . . . . . . 4109 2 581 . 1 1 48 48 LYS N N 15 125.197 0.050 . 1 . . . . . . . . 4109 2 582 . 1 1 48 48 LYS H H 1 8.452 0.005 . 1 . . . . . . . . 4109 2 583 . 1 1 48 48 LYS CA C 13 54.957 0.005 . 1 . . . . . . . . 4109 2 584 . 1 1 48 48 LYS HA H 1 4.565 0.005 . 1 . . . . . . . . 4109 2 585 . 1 1 48 48 LYS CB C 13 31.933 0.005 . 1 . . . . . . . . 4109 2 586 . 1 1 48 48 LYS HB2 H 1 1.859 0.005 . 1 . . . . . . . . 4109 2 587 . 1 1 48 48 LYS HB3 H 1 1.859 0.005 . 1 . . . . . . . . 4109 2 588 . 1 1 48 48 LYS CG C 13 24.848 0.005 . 1 . . . . . . . . 4109 2 589 . 1 1 48 48 LYS HG2 H 1 1.615 0.005 . 1 . . . . . . . . 4109 2 590 . 1 1 48 48 LYS HG3 H 1 1.615 0.005 . 1 . . . . . . . . 4109 2 591 . 1 1 48 48 LYS CD C 13 29.416 0.005 . 1 . . . . . . . . 4109 2 592 . 1 1 48 48 LYS HD2 H 1 1.779 0.005 . 1 . . . . . . . . 4109 2 593 . 1 1 48 48 LYS HD3 H 1 1.779 0.005 . 1 . . . . . . . . 4109 2 594 . 1 1 48 48 LYS CE C 13 42.187 0.005 . 1 . . . . . . . . 4109 2 595 . 1 1 48 48 LYS HE2 H 1 3.086 0.005 . 1 . . . . . . . . 4109 2 596 . 1 1 48 48 LYS HE3 H 1 3.086 0.005 . 1 . . . . . . . . 4109 2 597 . 1 1 48 48 LYS C C 13 175.028 0.050 . 1 . . . . . . . . 4109 2 598 . 1 1 49 49 PRO CD C 13 50.576 0.005 . 1 . . . . . . . . 4109 2 599 . 1 1 49 49 PRO CA C 13 63.533 0.005 . 1 . . . . . . . . 4109 2 600 . 1 1 49 49 PRO HA H 1 4.807 0.005 . 1 . . . . . . . . 4109 2 601 . 1 1 49 49 PRO CB C 13 32.772 0.005 . 1 . . . . . . . . 4109 2 602 . 1 1 49 49 PRO HB2 H 1 2.415 0.005 . 2 . . . . . . . . 4109 2 603 . 1 1 49 49 PRO HB3 H 1 1.834 0.005 . 2 . . . . . . . . 4109 2 604 . 1 1 49 49 PRO CG C 13 27.365 0.005 . 1 . . . . . . . . 4109 2 605 . 1 1 49 49 PRO HG2 H 1 2.233 0.005 . 2 . . . . . . . . 4109 2 606 . 1 1 49 49 PRO HG3 H 1 2.123 0.005 . 2 . . . . . . . . 4109 2 607 . 1 1 49 49 PRO HD2 H 1 3.965 0.005 . 1 . . . . . . . . 4109 2 608 . 1 1 49 49 PRO HD3 H 1 3.761 0.005 . 1 . . . . . . . . 4109 2 609 . 1 1 49 49 PRO C C 13 177.078 0.050 . 1 . . . . . . . . 4109 2 610 . 1 1 50 50 PHE N N 15 122.611 0.050 . 1 . . . . . . . . 4109 2 611 . 1 1 50 50 PHE H H 1 8.666 0.005 . 1 . . . . . . . . 4109 2 612 . 1 1 50 50 PHE CA C 13 57.474 0.005 . 1 . . . . . . . . 4109 2 613 . 1 1 50 50 PHE HA H 1 4.758 0.005 . 1 . . . . . . . . 4109 2 614 . 1 1 50 50 PHE CB C 13 40.975 0.005 . 1 . . . . . . . . 4109 2 615 . 1 1 50 50 PHE HB2 H 1 3.253 0.005 . 2 . . . . . . . . 4109 2 616 . 1 1 50 50 PHE HB3 H 1 2.853 0.005 . 2 . . . . . . . . 4109 2 617 . 1 1 50 50 PHE CD1 C 13 131.385 0.050 . 1 . . . . . . . . 4109 2 618 . 1 1 50 50 PHE HD1 H 1 6.958 0.005 . 1 . . . . . . . . 4109 2 619 . 1 1 50 50 PHE HD2 H 1 6.958 0.005 . 1 . . . . . . . . 4109 2 620 . 1 1 50 50 PHE HE1 H 1 7.134 0.005 . 1 . . . . . . . . 4109 2 621 . 1 1 50 50 PHE HE2 H 1 7.134 0.005 . 1 . . . . . . . . 4109 2 622 . 1 1 50 50 PHE HZ H 1 7.079 0.005 . 1 . . . . . . . . 4109 2 623 . 1 1 50 50 PHE CD2 C 13 131.385 0.050 . 1 . . . . . . . . 4109 2 624 . 1 1 50 50 PHE C C 13 174.113 0.050 . 1 . . . . . . . . 4109 2 625 . 1 1 51 51 LEU N N 15 128.311 0.050 . 1 . . . . . . . . 4109 2 626 . 1 1 51 51 LEU H H 1 7.632 0.005 . 1 . . . . . . . . 4109 2 627 . 1 1 51 51 LEU CA C 13 52.813 0.005 . 1 . . . . . . . . 4109 2 628 . 1 1 51 51 LEU HA H 1 4.638 0.005 . 1 . . . . . . . . 4109 2 629 . 1 1 51 51 LEU CB C 13 44.890 0.005 . 1 . . . . . . . . 4109 2 630 . 1 1 51 51 LEU HB2 H 1 1.540 0.005 . 2 . . . . . . . . 4109 2 631 . 1 1 51 51 LEU HB3 H 1 1.499 0.005 . 2 . . . . . . . . 4109 2 632 . 1 1 51 51 LEU CG C 13 27.179 0.005 . 1 . . . . . . . . 4109 2 633 . 1 1 51 51 LEU HG H 1 1.625 0.005 . 1 . . . . . . . . 4109 2 634 . 1 1 51 51 LEU HD11 H 1 1.072 0.005 . 2 . . . . . . . . 4109 2 635 . 1 1 51 51 LEU HD12 H 1 1.072 0.005 . 2 . . . . . . . . 4109 2 636 . 1 1 51 51 LEU HD13 H 1 1.072 0.005 . 2 . . . . . . . . 4109 2 637 . 1 1 51 51 LEU HD21 H 1 0.968 0.005 . 2 . . . . . . . . 4109 2 638 . 1 1 51 51 LEU HD22 H 1 0.968 0.005 . 2 . . . . . . . . 4109 2 639 . 1 1 51 51 LEU HD23 H 1 0.968 0.005 . 2 . . . . . . . . 4109 2 640 . 1 1 51 51 LEU CD1 C 13 24.942 0.005 . 2 . . . . . . . . 4109 2 641 . 1 1 51 51 LEU CD2 C 13 23.543 0.005 . 2 . . . . . . . . 4109 2 642 . 1 1 51 51 LEU C C 13 176.985 0.050 . 1 . . . . . . . . 4109 2 643 . 1 1 52 52 LYS N N 15 122.964 0.050 . 1 . . . . . . . . 4109 2 644 . 1 1 52 52 LYS H H 1 8.483 0.005 . 1 . . . . . . . . 4109 2 645 . 1 1 52 52 LYS CA C 13 58.686 0.005 . 1 . . . . . . . . 4109 2 646 . 1 1 52 52 LYS HA H 1 3.763 0.005 . 1 . . . . . . . . 4109 2 647 . 1 1 52 52 LYS CB C 13 33.611 0.005 . 1 . . . . . . . . 4109 2 648 . 1 1 52 52 LYS HB2 H 1 2.309 0.005 . 2 . . . . . . . . 4109 2 649 . 1 1 52 52 LYS HB3 H 1 1.835 0.005 . 2 . . . . . . . . 4109 2 650 . 1 1 52 52 LYS CG C 13 24.942 0.005 . 1 . . . . . . . . 4109 2 651 . 1 1 52 52 LYS HG2 H 1 1.655 0.005 . 2 . . . . . . . . 4109 2 652 . 1 1 52 52 LYS HG3 H 1 1.633 0.005 . 2 . . . . . . . . 4109 2 653 . 1 1 52 52 LYS CD C 13 29.416 0.005 . 1 . . . . . . . . 4109 2 654 . 1 1 52 52 LYS HD2 H 1 1.914 0.005 . 1 . . . . . . . . 4109 2 655 . 1 1 52 52 LYS HD3 H 1 1.835 0.005 . 1 . . . . . . . . 4109 2 656 . 1 1 52 52 LYS CE C 13 42.466 0.005 . 1 . . . . . . . . 4109 2 657 . 1 1 52 52 LYS HE2 H 1 3.119 0.005 . 1 . . . . . . . . 4109 2 658 . 1 1 52 52 LYS HE3 H 1 3.119 0.005 . 1 . . . . . . . . 4109 2 659 . 1 1 52 52 LYS C C 13 175.683 0.050 . 1 . . . . . . . . 4109 2 660 . 1 1 53 53 SER N N 15 108.583 0.050 . 1 . . . . . . . . 4109 2 661 . 1 1 53 53 SER H H 1 7.644 0.005 . 1 . . . . . . . . 4109 2 662 . 1 1 53 53 SER CA C 13 56.449 0.005 . 1 . . . . . . . . 4109 2 663 . 1 1 53 53 SER HA H 1 4.657 0.005 . 1 . . . . . . . . 4109 2 664 . 1 1 53 53 SER CB C 13 65.770 0.005 . 1 . . . . . . . . 4109 2 665 . 1 1 53 53 SER HB2 H 1 4.179 0.005 . 2 . . . . . . . . 4109 2 666 . 1 1 53 53 SER HB3 H 1 4.002 0.005 . 2 . . . . . . . . 4109 2 667 . 1 1 53 53 SER C C 13 173.653 0.050 . 1 . . . . . . . . 4109 2 668 . 1 1 54 54 GLY N N 15 106.374 0.050 . 1 . . . . . . . . 4109 2 669 . 1 1 54 54 GLY H H 1 8.684 0.005 . 1 . . . . . . . . 4109 2 670 . 1 1 54 54 GLY CA C 13 45.822 0.005 . 1 . . . . . . . . 4109 2 671 . 1 1 54 54 GLY HA2 H 1 4.325 0.005 . 2 . . . . . . . . 4109 2 672 . 1 1 54 54 GLY HA3 H 1 3.810 0.005 . 2 . . . . . . . . 4109 2 673 . 1 1 54 54 GLY C C 13 173.813 0.050 . 1 . . . . . . . . 4109 2 674 . 1 1 55 55 ALA N N 15 122.172 0.050 . 1 . . . . . . . . 4109 2 675 . 1 1 55 55 ALA H H 1 7.957 0.005 . 1 . . . . . . . . 4109 2 676 . 1 1 55 55 ALA CA C 13 53.201 0.005 . 1 . . . . . . . . 4109 2 677 . 1 1 55 55 ALA HA H 1 4.055 0.005 . 1 . . . . . . . . 4109 2 678 . 1 1 55 55 ALA HB1 H 1 0.850 0.005 . 1 . . . . . . . . 4109 2 679 . 1 1 55 55 ALA HB2 H 1 0.850 0.005 . 1 . . . . . . . . 4109 2 680 . 1 1 55 55 ALA HB3 H 1 0.850 0.005 . 1 . . . . . . . . 4109 2 681 . 1 1 55 55 ALA CB C 13 18.976 0.005 . 1 . . . . . . . . 4109 2 682 . 1 1 55 55 ALA C C 13 176.466 0.050 . 1 . . . . . . . . 4109 2 683 . 1 1 56 56 PHE N N 15 115.265 0.050 . 1 . . . . . . . . 4109 2 684 . 1 1 56 56 PHE H H 1 7.200 0.005 . 1 . . . . . . . . 4109 2 685 . 1 1 56 56 PHE CA C 13 55.703 0.005 . 1 . . . . . . . . 4109 2 686 . 1 1 56 56 PHE HA H 1 5.441 0.005 . 1 . . . . . . . . 4109 2 687 . 1 1 56 56 PHE CB C 13 43.678 0.005 . 1 . . . . . . . . 4109 2 688 . 1 1 56 56 PHE HB2 H 1 2.994 0.005 . 2 . . . . . . . . 4109 2 689 . 1 1 56 56 PHE HB3 H 1 2.773 0.005 . 2 . . . . . . . . 4109 2 690 . 1 1 56 56 PHE HD1 H 1 7.082 0.005 . 1 . . . . . . . . 4109 2 691 . 1 1 56 56 PHE HD2 H 1 7.082 0.005 . 1 . . . . . . . . 4109 2 692 . 1 1 56 56 PHE HE1 H 1 7.215 0.005 . 1 . . . . . . . . 4109 2 693 . 1 1 56 56 PHE HE2 H 1 7.215 0.005 . 1 . . . . . . . . 4109 2 694 . 1 1 56 56 PHE C C 13 174.170 0.050 . 1 . . . . . . . . 4109 2 695 . 1 1 57 57 GLU N N 15 119.127 0.050 . 1 . . . . . . . . 4109 2 696 . 1 1 57 57 GLU H H 1 8.853 0.005 . 1 . . . . . . . . 4109 2 697 . 1 1 57 57 GLU CA C 13 55.610 0.005 . 1 . . . . . . . . 4109 2 698 . 1 1 57 57 GLU HA H 1 4.487 0.005 . 1 . . . . . . . . 4109 2 699 . 1 1 57 57 GLU CB C 13 34.450 0.005 . 1 . . . . . . . . 4109 2 700 . 1 1 57 57 GLU HB2 H 1 1.887 0.005 . 2 . . . . . . . . 4109 2 701 . 1 1 57 57 GLU HB3 H 1 1.789 0.005 . 2 . . . . . . . . 4109 2 702 . 1 1 57 57 GLU CG C 13 36.314 0.005 . 1 . . . . . . . . 4109 2 703 . 1 1 57 57 GLU HG2 H 1 2.152 0.005 . 2 . . . . . . . . 4109 2 704 . 1 1 57 57 GLU HG3 H 1 2.116 0.005 . 2 . . . . . . . . 4109 2 705 . 1 1 57 57 GLU CD C 13 182.577 0.050 . 1 . . . . . . . . 4109 2 706 . 1 1 57 57 GLU C C 13 173.794 0.050 . 1 . . . . . . . . 4109 2 707 . 1 1 58 58 ILE N N 15 123.663 0.050 . 1 . . . . . . . . 4109 2 708 . 1 1 58 58 ILE H H 1 8.569 0.005 . 1 . . . . . . . . 4109 2 709 . 1 1 58 58 ILE CA C 13 58.779 0.005 . 1 . . . . . . . . 4109 2 710 . 1 1 58 58 ILE HA H 1 5.061 0.005 . 1 . . . . . . . . 4109 2 711 . 1 1 58 58 ILE CB C 13 40.695 0.005 . 1 . . . . . . . . 4109 2 712 . 1 1 58 58 ILE HB H 1 1.592 0.005 . 1 . . . . . . . . 4109 2 713 . 1 1 58 58 ILE HG21 H 1 1.111 0.005 . 1 . . . . . . . . 4109 2 714 . 1 1 58 58 ILE HG22 H 1 1.111 0.005 . 1 . . . . . . . . 4109 2 715 . 1 1 58 58 ILE HG23 H 1 1.111 0.005 . 1 . . . . . . . . 4109 2 716 . 1 1 58 58 ILE CG2 C 13 16.646 0.005 . 1 . . . . . . . . 4109 2 717 . 1 1 58 58 ILE CG1 C 13 28.764 0.005 . 1 . . . . . . . . 4109 2 718 . 1 1 58 58 ILE HG12 H 1 1.676 0.005 . 1 . . . . . . . . 4109 2 719 . 1 1 58 58 ILE HG13 H 1 1.218 0.005 . 1 . . . . . . . . 4109 2 720 . 1 1 58 58 ILE HD11 H 1 1.069 0.005 . 1 . . . . . . . . 4109 2 721 . 1 1 58 58 ILE HD12 H 1 1.069 0.005 . 1 . . . . . . . . 4109 2 722 . 1 1 58 58 ILE HD13 H 1 1.069 0.005 . 1 . . . . . . . . 4109 2 723 . 1 1 58 58 ILE CD1 C 13 14.967 0.005 . 1 . . . . . . . . 4109 2 724 . 1 1 58 58 ILE C C 13 175.254 0.050 . 1 . . . . . . . . 4109 2 725 . 1 1 59 59 LEU N N 15 129.670 0.050 . 1 . . . . . . . . 4109 2 726 . 1 1 59 59 LEU H H 1 8.911 0.005 . 1 . . . . . . . . 4109 2 727 . 1 1 59 59 LEU CA C 13 54.398 0.005 . 1 . . . . . . . . 4109 2 728 . 1 1 59 59 LEU HA H 1 4.495 0.005 . 1 . . . . . . . . 4109 2 729 . 1 1 59 59 LEU CB C 13 41.907 0.005 . 1 . . . . . . . . 4109 2 730 . 1 1 59 59 LEU HB2 H 1 1.989 0.005 . 2 . . . . . . . . 4109 2 731 . 1 1 59 59 LEU HB3 H 1 1.702 0.005 . 2 . . . . . . . . 4109 2 732 . 1 1 59 59 LEU CG C 13 27.645 0.005 . 1 . . . . . . . . 4109 2 733 . 1 1 59 59 LEU HG H 1 1.567 0.005 . 1 . . . . . . . . 4109 2 734 . 1 1 59 59 LEU HD11 H 1 0.840 0.005 . 2 . . . . . . . . 4109 2 735 . 1 1 59 59 LEU HD12 H 1 0.840 0.005 . 2 . . . . . . . . 4109 2 736 . 1 1 59 59 LEU HD13 H 1 0.840 0.005 . 2 . . . . . . . . 4109 2 737 . 1 1 59 59 LEU HD21 H 1 0.770 0.005 . 2 . . . . . . . . 4109 2 738 . 1 1 59 59 LEU HD22 H 1 0.770 0.005 . 2 . . . . . . . . 4109 2 739 . 1 1 59 59 LEU HD23 H 1 0.770 0.005 . 2 . . . . . . . . 4109 2 740 . 1 1 59 59 LEU CD1 C 13 25.221 0.005 . 2 . . . . . . . . 4109 2 741 . 1 1 59 59 LEU CD2 C 13 22.798 0.005 . 2 . . . . . . . . 4109 2 742 . 1 1 59 59 LEU C C 13 178.942 0.050 . 1 . . . . . . . . 4109 2 743 . 1 1 60 60 ALA N N 15 123.163 0.050 . 1 . . . . . . . . 4109 2 744 . 1 1 60 60 ALA H H 1 8.483 0.005 . 1 . . . . . . . . 4109 2 745 . 1 1 60 60 ALA CA C 13 54.771 0.005 . 1 . . . . . . . . 4109 2 746 . 1 1 60 60 ALA HA H 1 4.019 0.005 . 1 . . . . . . . . 4109 2 747 . 1 1 60 60 ALA HB1 H 1 1.447 0.005 . 1 . . . . . . . . 4109 2 748 . 1 1 60 60 ALA HB2 H 1 1.447 0.005 . 1 . . . . . . . . 4109 2 749 . 1 1 60 60 ALA HB3 H 1 1.447 0.005 . 1 . . . . . . . . 4109 2 750 . 1 1 60 60 ALA CB C 13 18.137 0.005 . 1 . . . . . . . . 4109 2 751 . 1 1 60 60 ALA C C 13 177.750 0.050 . 1 . . . . . . . . 4109 2 752 . 1 1 61 61 ASN N N 15 112.462 0.050 . 1 . . . . . . . . 4109 2 753 . 1 1 61 61 ASN H H 1 7.545 0.005 . 1 . . . . . . . . 4109 2 754 . 1 1 61 61 ASN CA C 13 52.440 0.005 . 1 . . . . . . . . 4109 2 755 . 1 1 61 61 ASN HA H 1 4.464 0.005 . 1 . . . . . . . . 4109 2 756 . 1 1 61 61 ASN CB C 13 37.712 0.005 . 1 . . . . . . . . 4109 2 757 . 1 1 61 61 ASN HB2 H 1 3.352 0.005 . 2 . . . . . . . . 4109 2 758 . 1 1 61 61 ASN HB3 H 1 2.778 0.005 . 2 . . . . . . . . 4109 2 759 . 1 1 61 61 ASN CG C 13 176.892 0.050 . 1 . . . . . . . . 4109 2 760 . 1 1 61 61 ASN ND2 N 15 108.999 0.050 . 1 . . . . . . . . 4109 2 761 . 1 1 61 61 ASN HD21 H 1 7.260 0.005 . 1 . . . . . . . . 4109 2 762 . 1 1 61 61 ASN HD22 H 1 6.420 0.005 . 1 . . . . . . . . 4109 2 763 . 1 1 61 61 ASN C C 13 175.587 0.050 . 1 . . . . . . . . 4109 2 764 . 1 1 62 62 GLY N N 15 108.221 0.050 . 1 . . . . . . . . 4109 2 765 . 1 1 62 62 GLY H H 1 8.178 0.005 . 1 . . . . . . . . 4109 2 766 . 1 1 62 62 GLY CA C 13 44.797 0.005 . 1 . . . . . . . . 4109 2 767 . 1 1 62 62 GLY HA2 H 1 4.295 0.005 . 2 . . . . . . . . 4109 2 768 . 1 1 62 62 GLY HA3 H 1 3.239 0.005 . 2 . . . . . . . . 4109 2 769 . 1 1 62 62 GLY C C 13 172.018 0.050 . 1 . . . . . . . . 4109 2 770 . 1 1 63 63 ASP N N 15 119.873 0.050 . 1 . . . . . . . . 4109 2 771 . 1 1 63 63 ASP H H 1 7.824 0.005 . 1 . . . . . . . . 4109 2 772 . 1 1 63 63 ASP CA C 13 55.051 0.005 . 1 . . . . . . . . 4109 2 773 . 1 1 63 63 ASP HA H 1 4.736 0.005 . 1 . . . . . . . . 4109 2 774 . 1 1 63 63 ASP CB C 13 40.882 0.005 . 1 . . . . . . . . 4109 2 775 . 1 1 63 63 ASP HB2 H 1 2.771 0.005 . 2 . . . . . . . . 4109 2 776 . 1 1 63 63 ASP HB3 H 1 2.467 0.005 . 2 . . . . . . . . 4109 2 777 . 1 1 63 63 ASP CG C 13 179.781 0.050 . 1 . . . . . . . . 4109 2 778 . 1 1 63 63 ASP C C 13 173.723 0.050 . 1 . . . . . . . . 4109 2 779 . 1 1 64 64 LEU N N 15 121.390 0.050 . 1 . . . . . . . . 4109 2 780 . 1 1 64 64 LEU H H 1 7.245 0.005 . 1 . . . . . . . . 4109 2 781 . 1 1 64 64 LEU CA C 13 53.093 0.005 . 1 . . . . . . . . 4109 2 782 . 1 1 64 64 LEU HA H 1 4.377 0.005 . 1 . . . . . . . . 4109 2 783 . 1 1 64 64 LEU CB C 13 42.466 0.005 . 1 . . . . . . . . 4109 2 784 . 1 1 64 64 LEU HB2 H 1 0.270 0.005 . 2 . . . . . . . . 4109 2 785 . 1 1 64 64 LEU HB3 H 1 -1.161 0.005 . 2 . . . . . . . . 4109 2 786 . 1 1 64 64 LEU CG C 13 26.153 0.005 . 1 . . . . . . . . 4109 2 787 . 1 1 64 64 LEU HG H 1 0.902 0.005 . 1 . . . . . . . . 4109 2 788 . 1 1 64 64 LEU HD11 H 1 0.446 0.005 . 2 . . . . . . . . 4109 2 789 . 1 1 64 64 LEU HD12 H 1 0.446 0.005 . 2 . . . . . . . . 4109 2 790 . 1 1 64 64 LEU HD13 H 1 0.446 0.005 . 2 . . . . . . . . 4109 2 791 . 1 1 64 64 LEU HD21 H 1 0.133 0.005 . 2 . . . . . . . . 4109 2 792 . 1 1 64 64 LEU HD22 H 1 0.133 0.005 . 2 . . . . . . . . 4109 2 793 . 1 1 64 64 LEU HD23 H 1 0.133 0.005 . 2 . . . . . . . . 4109 2 794 . 1 1 64 64 LEU CD1 C 13 23.264 0.005 . 2 . . . . . . . . 4109 2 795 . 1 1 64 64 LEU CD2 C 13 25.874 0.005 . 2 . . . . . . . . 4109 2 796 . 1 1 64 64 LEU C C 13 174.134 0.050 . 1 . . . . . . . . 4109 2 797 . 1 1 65 65 LYS N N 15 128.238 0.050 . 1 . . . . . . . . 4109 2 798 . 1 1 65 65 LYS H H 1 9.013 0.005 . 1 . . . . . . . . 4109 2 799 . 1 1 65 65 LYS CA C 13 54.491 0.005 . 1 . . . . . . . . 4109 2 800 . 1 1 65 65 LYS HA H 1 5.036 0.005 . 1 . . . . . . . . 4109 2 801 . 1 1 65 65 LYS CB C 13 35.195 0.005 . 1 . . . . . . . . 4109 2 802 . 1 1 65 65 LYS HB2 H 1 1.603 0.005 . 2 . . . . . . . . 4109 2 803 . 1 1 65 65 LYS HB3 H 1 1.445 0.005 . 2 . . . . . . . . 4109 2 804 . 1 1 65 65 LYS CG C 13 24.662 0.005 . 1 . . . . . . . . 4109 2 805 . 1 1 65 65 LYS HG2 H 1 1.266 0.005 . 2 . . . . . . . . 4109 2 806 . 1 1 65 65 LYS HG3 H 1 0.831 0.005 . 2 . . . . . . . . 4109 2 807 . 1 1 65 65 LYS CD C 13 29.509 0.005 . 1 . . . . . . . . 4109 2 808 . 1 1 65 65 LYS HD2 H 1 1.553 0.005 . 1 . . . . . . . . 4109 2 809 . 1 1 65 65 LYS HD3 H 1 1.553 0.005 . 1 . . . . . . . . 4109 2 810 . 1 1 65 65 LYS CE C 13 42.187 0.005 . 1 . . . . . . . . 4109 2 811 . 1 1 65 65 LYS HE2 H 1 2.835 0.005 . 1 . . . . . . . . 4109 2 812 . 1 1 65 65 LYS HE3 H 1 2.785 0.005 . 1 . . . . . . . . 4109 2 813 . 1 1 65 65 LYS C C 13 175.428 0.050 . 1 . . . . . . . . 4109 2 814 . 1 1 66 66 ILE N N 15 127.553 0.050 . 1 . . . . . . . . 4109 2 815 . 1 1 66 66 ILE H H 1 8.612 0.005 . 1 . . . . . . . . 4109 2 816 . 1 1 66 66 ILE CA C 13 60.737 0.005 . 1 . . . . . . . . 4109 2 817 . 1 1 66 66 ILE HA H 1 4.284 0.005 . 1 . . . . . . . . 4109 2 818 . 1 1 66 66 ILE CB C 13 38.551 0.005 . 1 . . . . . . . . 4109 2 819 . 1 1 66 66 ILE HB H 1 1.622 0.005 . 1 . . . . . . . . 4109 2 820 . 1 1 66 66 ILE HG21 H 1 0.560 0.005 . 1 . . . . . . . . 4109 2 821 . 1 1 66 66 ILE HG22 H 1 0.560 0.005 . 1 . . . . . . . . 4109 2 822 . 1 1 66 66 ILE HG23 H 1 0.560 0.005 . 1 . . . . . . . . 4109 2 823 . 1 1 66 66 ILE CG2 C 13 17.298 0.005 . 1 . . . . . . . . 4109 2 824 . 1 1 66 66 ILE CG1 C 13 27.272 0.005 . 1 . . . . . . . . 4109 2 825 . 1 1 66 66 ILE HG12 H 1 1.297 0.005 . 1 . . . . . . . . 4109 2 826 . 1 1 66 66 ILE HG13 H 1 0.839 0.005 . 1 . . . . . . . . 4109 2 827 . 1 1 66 66 ILE HD11 H 1 0.515 0.005 . 1 . . . . . . . . 4109 2 828 . 1 1 66 66 ILE HD12 H 1 0.515 0.005 . 1 . . . . . . . . 4109 2 829 . 1 1 66 66 ILE HD13 H 1 0.515 0.005 . 1 . . . . . . . . 4109 2 830 . 1 1 66 66 ILE CD1 C 13 13.756 0.005 . 1 . . . . . . . . 4109 2 831 . 1 1 66 66 ILE C C 13 176.329 0.050 . 1 . . . . . . . . 4109 2 832 . 1 1 67 67 LYS N N 15 125.723 0.050 . 1 . . . . . . . . 4109 2 833 . 1 1 67 67 LYS H H 1 7.933 0.005 . 1 . . . . . . . . 4109 2 834 . 1 1 67 67 LYS CA C 13 59.711 0.005 . 1 . . . . . . . . 4109 2 835 . 1 1 67 67 LYS HA H 1 3.742 0.005 . 1 . . . . . . . . 4109 2 836 . 1 1 67 67 LYS CB C 13 33.145 0.005 . 1 . . . . . . . . 4109 2 837 . 1 1 67 67 LYS HB2 H 1 1.730 0.005 . 2 . . . . . . . . 4109 2 838 . 1 1 67 67 LYS HB3 H 1 1.471 0.005 . 2 . . . . . . . . 4109 2 839 . 1 1 67 67 LYS CG C 13 25.967 0.005 . 1 . . . . . . . . 4109 2 840 . 1 1 67 67 LYS HG2 H 1 1.244 0.005 . 2 . . . . . . . . 4109 2 841 . 1 1 67 67 LYS HG3 H 1 1.134 0.005 . 2 . . . . . . . . 4109 2 842 . 1 1 67 67 LYS CD C 13 29.323 0.005 . 1 . . . . . . . . 4109 2 843 . 1 1 67 67 LYS HD2 H 1 1.617 0.005 . 1 . . . . . . . . 4109 2 844 . 1 1 67 67 LYS HD3 H 1 1.617 0.005 . 1 . . . . . . . . 4109 2 845 . 1 1 67 67 LYS CE C 13 42.280 0.005 . 1 . . . . . . . . 4109 2 846 . 1 1 67 67 LYS HE2 H 1 2.843 0.005 . 1 . . . . . . . . 4109 2 847 . 1 1 67 67 LYS HE3 H 1 2.713 0.005 . 1 . . . . . . . . 4109 2 848 . 1 1 67 67 LYS C C 13 176.391 0.050 . 1 . . . . . . . . 4109 2 849 . 1 1 68 68 ASN N N 15 117.092 0.050 . 1 . . . . . . . . 4109 2 850 . 1 1 68 68 ASN H H 1 8.403 0.005 . 1 . . . . . . . . 4109 2 851 . 1 1 68 68 ASN CA C 13 53.093 0.005 . 1 . . . . . . . . 4109 2 852 . 1 1 68 68 ASN HA H 1 3.974 0.005 . 1 . . . . . . . . 4109 2 853 . 1 1 68 68 ASN CB C 13 39.483 0.005 . 1 . . . . . . . . 4109 2 854 . 1 1 68 68 ASN HB2 H 1 2.565 0.005 . 2 . . . . . . . . 4109 2 855 . 1 1 68 68 ASN HB3 H 1 2.303 0.005 . 2 . . . . . . . . 4109 2 856 . 1 1 68 68 ASN CG C 13 176.673 0.050 . 1 . . . . . . . . 4109 2 857 . 1 1 68 68 ASN ND2 N 15 111.566 0.050 . 1 . . . . . . . . 4109 2 858 . 1 1 68 68 ASN HD21 H 1 7.213 0.005 . 1 . . . . . . . . 4109 2 859 . 1 1 68 68 ASN HD22 H 1 6.554 0.005 . 1 . . . . . . . . 4109 2 860 . 1 1 68 68 ASN C C 13 172.884 0.050 . 1 . . . . . . . . 4109 2 861 . 1 1 69 69 LEU N N 15 124.037 0.050 . 1 . . . . . . . . 4109 2 862 . 1 1 69 69 LEU H H 1 8.068 0.005 . 1 . . . . . . . . 4109 2 863 . 1 1 69 69 LEU CA C 13 56.915 0.005 . 1 . . . . . . . . 4109 2 864 . 1 1 69 69 LEU HA H 1 4.078 0.005 . 1 . . . . . . . . 4109 2 865 . 1 1 69 69 LEU CB C 13 42.839 0.005 . 1 . . . . . . . . 4109 2 866 . 1 1 69 69 LEU HB2 H 1 1.756 0.005 . 2 . . . . . . . . 4109 2 867 . 1 1 69 69 LEU HB3 H 1 1.677 0.005 . 2 . . . . . . . . 4109 2 868 . 1 1 69 69 LEU CG C 13 26.806 0.005 . 1 . . . . . . . . 4109 2 869 . 1 1 69 69 LEU HG H 1 1.597 0.005 . 1 . . . . . . . . 4109 2 870 . 1 1 69 69 LEU HD11 H 1 0.819 0.005 . 2 . . . . . . . . 4109 2 871 . 1 1 69 69 LEU HD12 H 1 0.819 0.005 . 2 . . . . . . . . 4109 2 872 . 1 1 69 69 LEU HD13 H 1 0.819 0.005 . 2 . . . . . . . . 4109 2 873 . 1 1 69 69 LEU HD21 H 1 0.734 0.005 . 2 . . . . . . . . 4109 2 874 . 1 1 69 69 LEU HD22 H 1 0.734 0.005 . 2 . . . . . . . . 4109 2 875 . 1 1 69 69 LEU HD23 H 1 0.734 0.005 . 2 . . . . . . . . 4109 2 876 . 1 1 69 69 LEU CD1 C 13 25.874 0.005 . 2 . . . . . . . . 4109 2 877 . 1 1 69 69 LEU CD2 C 13 25.594 0.005 . 2 . . . . . . . . 4109 2 878 . 1 1 69 69 LEU C C 13 177.159 0.050 . 1 . . . . . . . . 4109 2 879 . 1 1 70 70 THR N N 15 117.965 0.050 . 1 . . . . . . . . 4109 2 880 . 1 1 70 70 THR H H 1 8.882 0.005 . 1 . . . . . . . . 4109 2 881 . 1 1 70 70 THR CA C 13 59.898 0.005 . 1 . . . . . . . . 4109 2 882 . 1 1 70 70 THR HA H 1 4.759 0.005 . 1 . . . . . . . . 4109 2 883 . 1 1 70 70 THR CB C 13 72.575 0.005 . 1 . . . . . . . . 4109 2 884 . 1 1 70 70 THR HB H 1 4.483 0.005 . 1 . . . . . . . . 4109 2 885 . 1 1 70 70 THR HG21 H 1 1.252 0.005 . 2 . . . . . . . . 4109 2 886 . 1 1 70 70 THR HG22 H 1 1.252 0.005 . 2 . . . . . . . . 4109 2 887 . 1 1 70 70 THR HG23 H 1 1.252 0.005 . 2 . . . . . . . . 4109 2 888 . 1 1 70 70 THR CG2 C 13 21.586 0.005 . 1 . . . . . . . . 4109 2 889 . 1 1 70 70 THR C C 13 175.700 0.050 . 1 . . . . . . . . 4109 2 890 . 1 1 71 71 ARG N N 15 120.922 0.050 . 1 . . . . . . . . 4109 2 891 . 1 1 71 71 ARG H H 1 9.003 0.005 . 1 . . . . . . . . 4109 2 892 . 1 1 71 71 ARG CA C 13 59.898 0.005 . 1 . . . . . . . . 4109 2 893 . 1 1 71 71 ARG HA H 1 3.872 0.005 . 1 . . . . . . . . 4109 2 894 . 1 1 71 71 ARG CB C 13 29.602 0.005 . 1 . . . . . . . . 4109 2 895 . 1 1 71 71 ARG HB2 H 1 1.880 0.005 . 2 . . . . . . . . 4109 2 896 . 1 1 71 71 ARG HB3 H 1 1.843 0.005 . 2 . . . . . . . . 4109 2 897 . 1 1 71 71 ARG CG C 13 28.764 0.005 . 1 . . . . . . . . 4109 2 898 . 1 1 71 71 ARG HG2 H 1 1.847 0.005 . 2 . . . . . . . . 4109 2 899 . 1 1 71 71 ARG HG3 H 1 1.691 0.005 . 2 . . . . . . . . 4109 2 900 . 1 1 71 71 ARG CD C 13 43.119 0.005 . 1 . . . . . . . . 4109 2 901 . 1 1 71 71 ARG HD2 H 1 3.285 0.005 . 1 . . . . . . . . 4109 2 902 . 1 1 71 71 ARG HD3 H 1 3.226 0.005 . 1 . . . . . . . . 4109 2 903 . 1 1 71 71 ARG NE N 15 85.005 0.005 . 1 . . . . . . . . 4109 2 904 . 1 1 71 71 ARG HE H 1 7.499 0.005 . 1 . . . . . . . . 4109 2 905 . 1 1 71 71 ARG CZ C 13 157.853 0.050 . 1 . . . . . . . . 4109 2 906 . 1 1 71 71 ARG C C 13 178.548 0.050 . 1 . . . . . . . . 4109 2 907 . 1 1 72 72 ASP N N 15 117.035 0.050 . 1 . . . . . . . . 4109 2 908 . 1 1 72 72 ASP H H 1 7.969 0.005 . 1 . . . . . . . . 4109 2 909 . 1 1 72 72 ASP CA C 13 55.610 0.005 . 1 . . . . . . . . 4109 2 910 . 1 1 72 72 ASP HA H 1 4.550 0.005 . 1 . . . . . . . . 4109 2 911 . 1 1 72 72 ASP CB C 13 40.602 0.005 . 1 . . . . . . . . 4109 2 912 . 1 1 72 72 ASP HB2 H 1 2.751 0.005 . 2 . . . . . . . . 4109 2 913 . 1 1 72 72 ASP HB3 H 1 2.495 0.005 . 2 . . . . . . . . 4109 2 914 . 1 1 72 72 ASP CG C 13 180.061 0.050 . 1 . . . . . . . . 4109 2 915 . 1 1 72 72 ASP C C 13 176.156 0.050 . 1 . . . . . . . . 4109 2 916 . 1 1 73 73 ASP N N 15 116.210 0.050 . 1 . . . . . . . . 4109 2 917 . 1 1 73 73 ASP H H 1 7.631 0.005 . 1 . . . . . . . . 4109 2 918 . 1 1 73 73 ASP CA C 13 55.051 0.005 . 1 . . . . . . . . 4109 2 919 . 1 1 73 73 ASP HA H 1 4.806 0.005 . 1 . . . . . . . . 4109 2 920 . 1 1 73 73 ASP CB C 13 42.093 0.005 . 1 . . . . . . . . 4109 2 921 . 1 1 73 73 ASP HB2 H 1 2.924 0.005 . 2 . . . . . . . . 4109 2 922 . 1 1 73 73 ASP HB3 H 1 2.712 0.005 . 2 . . . . . . . . 4109 2 923 . 1 1 73 73 ASP CG C 13 178.383 0.050 . 1 . . . . . . . . 4109 2 924 . 1 1 73 73 ASP C C 13 177.048 0.050 . 1 . . . . . . . . 4109 2 925 . 1 1 74 74 SER N N 15 115.578 0.050 . 1 . . . . . . . . 4109 2 926 . 1 1 74 74 SER H H 1 7.460 0.005 . 1 . . . . . . . . 4109 2 927 . 1 1 74 74 SER CA C 13 59.059 0.005 . 1 . . . . . . . . 4109 2 928 . 1 1 74 74 SER HA H 1 4.218 0.005 . 1 . . . . . . . . 4109 2 929 . 1 1 74 74 SER CB C 13 64.093 0.005 . 1 . . . . . . . . 4109 2 930 . 1 1 74 74 SER HB2 H 1 3.917 0.005 . 1 . . . . . . . . 4109 2 931 . 1 1 74 74 SER HB3 H 1 3.917 0.005 . 1 . . . . . . . . 4109 2 932 . 1 1 74 74 SER C C 13 173.121 0.050 . 1 . . . . . . . . 4109 2 933 . 1 1 75 75 GLY N N 15 111.291 0.050 . 1 . . . . . . . . 4109 2 934 . 1 1 75 75 GLY H H 1 8.783 0.005 . 1 . . . . . . . . 4109 2 935 . 1 1 75 75 GLY CA C 13 44.424 0.005 . 1 . . . . . . . . 4109 2 936 . 1 1 75 75 GLY HA2 H 1 4.500 0.005 . 2 . . . . . . . . 4109 2 937 . 1 1 75 75 GLY HA3 H 1 3.941 0.005 . 2 . . . . . . . . 4109 2 938 . 1 1 75 75 GLY C C 13 172.389 0.050 . 1 . . . . . . . . 4109 2 939 . 1 1 76 76 THR N N 15 117.425 0.050 . 1 . . . . . . . . 4109 2 940 . 1 1 76 76 THR H H 1 8.347 0.005 . 1 . . . . . . . . 4109 2 941 . 1 1 76 76 THR CA C 13 63.160 0.005 . 1 . . . . . . . . 4109 2 942 . 1 1 76 76 THR HA H 1 5.147 0.005 . 1 . . . . . . . . 4109 2 943 . 1 1 76 76 THR CB C 13 69.872 0.005 . 1 . . . . . . . . 4109 2 944 . 1 1 76 76 THR HB H 1 3.893 0.005 . 1 . . . . . . . . 4109 2 945 . 1 1 76 76 THR HG21 H 1 1.169 0.005 . 2 . . . . . . . . 4109 2 946 . 1 1 76 76 THR HG22 H 1 1.169 0.005 . 2 . . . . . . . . 4109 2 947 . 1 1 76 76 THR HG23 H 1 1.169 0.005 . 2 . . . . . . . . 4109 2 948 . 1 1 76 76 THR CG2 C 13 22.425 0.005 . 1 . . . . . . . . 4109 2 949 . 1 1 76 76 THR C C 13 174.791 0.050 . 1 . . . . . . . . 4109 2 950 . 1 1 77 77 TYR N N 15 130.033 0.050 . 1 . . . . . . . . 4109 2 951 . 1 1 77 77 TYR H H 1 9.907 0.005 . 1 . . . . . . . . 4109 2 952 . 1 1 77 77 TYR CA C 13 57.101 0.005 . 1 . . . . . . . . 4109 2 953 . 1 1 77 77 TYR HA H 1 5.177 0.005 . 1 . . . . . . . . 4109 2 954 . 1 1 77 77 TYR CB C 13 40.975 0.005 . 1 . . . . . . . . 4109 2 955 . 1 1 77 77 TYR HB2 H 1 3.163 0.005 . 2 . . . . . . . . 4109 2 956 . 1 1 77 77 TYR HB3 H 1 3.010 0.005 . 2 . . . . . . . . 4109 2 957 . 1 1 77 77 TYR CD1 C 13 132.742 0.050 . 1 . . . . . . . . 4109 2 958 . 1 1 77 77 TYR CE1 C 13 117.170 0.050 . 1 . . . . . . . . 4109 2 959 . 1 1 77 77 TYR CE2 C 13 117.170 0.050 . 1 . . . . . . . . 4109 2 960 . 1 1 77 77 TYR CD2 C 13 132.742 0.050 . 1 . . . . . . . . 4109 2 961 . 1 1 77 77 TYR C C 13 174.359 0.050 . 1 . . . . . . . . 4109 2 962 . 1 1 77 77 TYR HD1 H 1 7.004 0.005 . 3 . . . . . . . . 4109 2 963 . 1 1 77 77 TYR HD2 H 1 7.004 0.005 . 3 . . . . . . . . 4109 2 964 . 1 1 77 77 TYR HE1 H 1 6.623 0.005 . 3 . . . . . . . . 4109 2 965 . 1 1 77 77 TYR HE2 H 1 6.623 0.005 . 1 . . . . . . . . 4109 2 966 . 1 1 78 78 ASN N N 15 121.773 0.050 . 1 . . . . . . . . 4109 2 967 . 1 1 78 78 ASN H H 1 9.596 0.005 . 1 . . . . . . . . 4109 2 968 . 1 1 78 78 ASN CA C 13 52.651 0.005 . 1 . . . . . . . . 4109 2 969 . 1 1 78 78 ASN HA H 1 5.599 0.005 . 1 . . . . . . . . 4109 2 970 . 1 1 78 78 ASN CB C 13 42.746 0.005 . 1 . . . . . . . . 4109 2 971 . 1 1 78 78 ASN HB2 H 1 2.597 0.005 . 2 . . . . . . . . 4109 2 972 . 1 1 78 78 ASN HB3 H 1 2.539 0.005 . 2 . . . . . . . . 4109 2 973 . 1 1 78 78 ASN CG C 13 176.799 0.050 . 1 . . . . . . . . 4109 2 974 . 1 1 78 78 ASN ND2 N 15 113.716 0.050 . 1 . . . . . . . . 4109 2 975 . 1 1 78 78 ASN HD21 H 1 7.233 0.005 . 1 . . . . . . . . 4109 2 976 . 1 1 78 78 ASN HD22 H 1 6.852 0.005 . 1 . . . . . . . . 4109 2 977 . 1 1 78 78 ASN C C 13 173.801 0.050 . 1 . . . . . . . . 4109 2 978 . 1 1 79 79 VAL N N 15 126.460 0.050 . 1 . . . . . . . . 4109 2 979 . 1 1 79 79 VAL H H 1 9.164 0.005 . 1 . . . . . . . . 4109 2 980 . 1 1 79 79 VAL CA C 13 57.381 0.005 . 1 . . . . . . . . 4109 2 981 . 1 1 79 79 VAL HA H 1 5.069 0.005 . 1 . . . . . . . . 4109 2 982 . 1 1 79 79 VAL CB C 13 32.399 0.005 . 1 . . . . . . . . 4109 2 983 . 1 1 79 79 VAL HB H 1 -0.321 0.005 . 1 . . . . . . . . 4109 2 984 . 1 1 79 79 VAL HG11 H 1 0.280 0.005 . 2 . . . . . . . . 4109 2 985 . 1 1 79 79 VAL HG12 H 1 0.280 0.005 . 2 . . . . . . . . 4109 2 986 . 1 1 79 79 VAL HG13 H 1 0.280 0.005 . 2 . . . . . . . . 4109 2 987 . 1 1 79 79 VAL HG21 H 1 -0.383 0.005 . 2 . . . . . . . . 4109 2 988 . 1 1 79 79 VAL HG22 H 1 -0.383 0.005 . 2 . . . . . . . . 4109 2 989 . 1 1 79 79 VAL HG23 H 1 -0.383 0.005 . 2 . . . . . . . . 4109 2 990 . 1 1 79 79 VAL CG1 C 13 18.603 0.005 . 2 . . . . . . . . 4109 2 991 . 1 1 79 79 VAL CG2 C 13 21.493 0.005 . 2 . . . . . . . . 4109 2 992 . 1 1 79 79 VAL C C 13 173.164 0.050 . 1 . . . . . . . . 4109 2 993 . 1 1 80 80 THR N N 15 121.053 0.050 . 1 . . . . . . . . 4109 2 994 . 1 1 80 80 THR H H 1 8.375 0.005 . 1 . . . . . . . . 4109 2 995 . 1 1 80 80 THR CA C 13 59.898 0.005 . 1 . . . . . . . . 4109 2 996 . 1 1 80 80 THR HA H 1 4.912 0.005 . 1 . . . . . . . . 4109 2 997 . 1 1 80 80 THR CB C 13 71.270 0.005 . 1 . . . . . . . . 4109 2 998 . 1 1 80 80 THR HB H 1 3.652 0.005 . 1 . . . . . . . . 4109 2 999 . 1 1 80 80 THR HG21 H 1 1.011 0.005 . 2 . . . . . . . . 4109 2 1000 . 1 1 80 80 THR HG22 H 1 1.011 0.005 . 2 . . . . . . . . 4109 2 1001 . 1 1 80 80 THR HG23 H 1 1.011 0.005 . 2 . . . . . . . . 4109 2 1002 . 1 1 80 80 THR CG2 C 13 22.704 0.005 . 1 . . . . . . . . 4109 2 1003 . 1 1 80 80 THR C C 13 172.769 0.050 . 1 . . . . . . . . 4109 2 1004 . 1 1 81 81 VAL N N 15 123.773 0.050 . 1 . . . . . . . . 4109 2 1005 . 1 1 81 81 VAL H H 1 7.741 0.005 . 1 . . . . . . . . 4109 2 1006 . 1 1 81 81 VAL CA C 13 60.271 0.005 . 1 . . . . . . . . 4109 2 1007 . 1 1 81 81 VAL HA H 1 5.011 0.005 . 1 . . . . . . . . 4109 2 1008 . 1 1 81 81 VAL CB C 13 35.382 0.005 . 1 . . . . . . . . 4109 2 1009 . 1 1 81 81 VAL HB H 1 1.604 0.005 . 1 . . . . . . . . 4109 2 1010 . 1 1 81 81 VAL HG11 H 1 1.114 0.005 . 2 . . . . . . . . 4109 2 1011 . 1 1 81 81 VAL HG12 H 1 1.114 0.005 . 2 . . . . . . . . 4109 2 1012 . 1 1 81 81 VAL HG13 H 1 1.114 0.005 . 2 . . . . . . . . 4109 2 1013 . 1 1 81 81 VAL HG21 H 1 0.400 0.005 . 2 . . . . . . . . 4109 2 1014 . 1 1 81 81 VAL HG22 H 1 0.400 0.005 . 2 . . . . . . . . 4109 2 1015 . 1 1 81 81 VAL HG23 H 1 0.400 0.005 . 2 . . . . . . . . 4109 2 1016 . 1 1 81 81 VAL CG1 C 13 23.357 0.005 . 2 . . . . . . . . 4109 2 1017 . 1 1 81 81 VAL CG2 C 13 21.213 0.005 . 2 . . . . . . . . 4109 2 1018 . 1 1 81 81 VAL C C 13 174.702 0.050 . 1 . . . . . . . . 4109 2 1019 . 1 1 82 82 TYR N N 15 125.323 0.050 . 1 . . . . . . . . 4109 2 1020 . 1 1 82 82 TYR H H 1 9.173 0.005 . 1 . . . . . . . . 4109 2 1021 . 1 1 82 82 TYR CA C 13 56.262 0.005 . 1 . . . . . . . . 4109 2 1022 . 1 1 82 82 TYR HA H 1 5.633 0.005 . 1 . . . . . . . . 4109 2 1023 . 1 1 82 82 TYR CB C 13 42.466 0.005 . 1 . . . . . . . . 4109 2 1024 . 1 1 82 82 TYR HB2 H 1 2.992 0.005 . 2 . . . . . . . . 4109 2 1025 . 1 1 82 82 TYR HB3 H 1 2.863 0.005 . 2 . . . . . . . . 4109 2 1026 . 1 1 82 82 TYR CD1 C 13 133.091 0.050 . 1 . . . . . . . . 4109 2 1027 . 1 1 82 82 TYR HD1 H 1 6.790 0.005 . 3 . . . . . . . . 4109 2 1028 . 1 1 82 82 TYR HD2 H 1 6.790 0.005 . 3 . . . . . . . . 4109 2 1029 . 1 1 82 82 TYR CE1 C 13 117.744 0.050 . 1 . . . . . . . . 4109 2 1030 . 1 1 82 82 TYR HE1 H 1 6.596 0.005 . 1 . . . . . . . . 4109 2 1031 . 1 1 82 82 TYR HE2 H 1 6.596 0.005 . 1 . . . . . . . . 4109 2 1032 . 1 1 82 82 TYR CE2 C 13 117.744 0.050 . 1 . . . . . . . . 4109 2 1033 . 1 1 82 82 TYR CD2 C 13 133.091 0.050 . 1 . . . . . . . . 4109 2 1034 . 1 1 82 82 TYR C C 13 177.030 0.050 . 1 . . . . . . . . 4109 2 1035 . 1 1 83 83 SER N N 15 119.321 0.050 . 1 . . . . . . . . 4109 2 1036 . 1 1 83 83 SER H H 1 9.299 0.005 . 1 . . . . . . . . 4109 2 1037 . 1 1 83 83 SER CA C 13 57.101 0.005 . 1 . . . . . . . . 4109 2 1038 . 1 1 83 83 SER HA H 1 5.373 0.005 . 1 . . . . . . . . 4109 2 1039 . 1 1 83 83 SER CB C 13 65.491 0.005 . 1 . . . . . . . . 4109 2 1040 . 1 1 83 83 SER HB2 H 1 4.504 0.005 . 2 . . . . . . . . 4109 2 1041 . 1 1 83 83 SER HB3 H 1 3.947 0.005 . 2 . . . . . . . . 4109 2 1042 . 1 1 83 83 SER C C 13 176.818 0.050 . 1 . . . . . . . . 4109 2 1043 . 1 1 84 84 THR N N 15 116.235 0.050 . 1 . . . . . . . . 4109 2 1044 . 1 1 84 84 THR H H 1 8.698 0.005 . 1 . . . . . . . . 4109 2 1045 . 1 1 84 84 THR CA C 13 65.398 0.005 . 1 . . . . . . . . 4109 2 1046 . 1 1 84 84 THR HA H 1 3.964 0.005 . 1 . . . . . . . . 4109 2 1047 . 1 1 84 84 THR CB C 13 69.126 0.005 . 1 . . . . . . . . 4109 2 1048 . 1 1 84 84 THR HB H 1 4.359 0.005 . 1 . . . . . . . . 4109 2 1049 . 1 1 84 84 THR HG21 H 1 1.309 0.005 . 2 . . . . . . . . 4109 2 1050 . 1 1 84 84 THR HG22 H 1 1.309 0.005 . 2 . . . . . . . . 4109 2 1051 . 1 1 84 84 THR HG23 H 1 1.309 0.005 . 2 . . . . . . . . 4109 2 1052 . 1 1 84 84 THR CG2 C 13 22.145 0.005 . 1 . . . . . . . . 4109 2 1053 . 1 1 84 84 THR C C 13 175.153 0.050 . 1 . . . . . . . . 4109 2 1054 . 1 1 85 85 ASN N N 15 118.614 0.050 . 1 . . . . . . . . 4109 2 1055 . 1 1 85 85 ASN H H 1 8.210 0.005 . 1 . . . . . . . . 4109 2 1056 . 1 1 85 85 ASN CA C 13 52.627 0.005 . 1 . . . . . . . . 4109 2 1057 . 1 1 85 85 ASN HA H 1 4.850 0.005 . 1 . . . . . . . . 4109 2 1058 . 1 1 85 85 ASN CB C 13 37.712 0.005 . 1 . . . . . . . . 4109 2 1059 . 1 1 85 85 ASN HB2 H 1 3.230 0.005 . 2 . . . . . . . . 4109 2 1060 . 1 1 85 85 ASN HB3 H 1 2.894 0.005 . 2 . . . . . . . . 4109 2 1061 . 1 1 85 85 ASN CG C 13 177.637 0.050 . 1 . . . . . . . . 4109 2 1062 . 1 1 85 85 ASN ND2 N 15 112.594 0.050 . 1 . . . . . . . . 4109 2 1063 . 1 1 85 85 ASN HD21 H 1 7.650 0.005 . 1 . . . . . . . . 4109 2 1064 . 1 1 85 85 ASN HD22 H 1 6.928 0.005 . 1 . . . . . . . . 4109 2 1065 . 1 1 85 85 ASN C C 13 176.273 0.050 . 1 . . . . . . . . 4109 2 1066 . 1 1 86 86 GLY N N 15 108.575 0.050 . 1 . . . . . . . . 4109 2 1067 . 1 1 86 86 GLY H H 1 8.229 0.005 . 1 . . . . . . . . 4109 2 1068 . 1 1 86 86 GLY CA C 13 45.263 0.005 . 1 . . . . . . . . 4109 2 1069 . 1 1 86 86 GLY HA2 H 1 4.356 0.005 . 2 . . . . . . . . 4109 2 1070 . 1 1 86 86 GLY HA3 H 1 3.752 0.005 . 2 . . . . . . . . 4109 2 1071 . 1 1 86 86 GLY C C 13 174.497 0.050 . 1 . . . . . . . . 4109 2 1072 . 1 1 87 87 THR N N 15 117.688 0.050 . 1 . . . . . . . . 4109 2 1073 . 1 1 87 87 THR H H 1 7.724 0.005 . 1 . . . . . . . . 4109 2 1074 . 1 1 87 87 THR CA C 13 63.533 0.005 . 1 . . . . . . . . 4109 2 1075 . 1 1 87 87 THR HA H 1 4.190 0.005 . 1 . . . . . . . . 4109 2 1076 . 1 1 87 87 THR CB C 13 69.406 0.005 . 1 . . . . . . . . 4109 2 1077 . 1 1 87 87 THR HB H 1 4.185 0.005 . 1 . . . . . . . . 4109 2 1078 . 1 1 87 87 THR HG21 H 1 1.153 0.005 . 2 . . . . . . . . 4109 2 1079 . 1 1 87 87 THR HG22 H 1 1.153 0.005 . 2 . . . . . . . . 4109 2 1080 . 1 1 87 87 THR HG23 H 1 1.153 0.005 . 2 . . . . . . . . 4109 2 1081 . 1 1 87 87 THR CG2 C 13 21.493 0.005 . 1 . . . . . . . . 4109 2 1082 . 1 1 87 87 THR C C 13 173.717 0.050 . 1 . . . . . . . . 4109 2 1083 . 1 1 88 88 ARG N N 15 128.693 0.050 . 1 . . . . . . . . 4109 2 1084 . 1 1 88 88 ARG H H 1 8.977 0.005 . 1 . . . . . . . . 4109 2 1085 . 1 1 88 88 ARG CA C 13 56.076 0.005 . 1 . . . . . . . . 4109 2 1086 . 1 1 88 88 ARG HA H 1 4.128 0.005 . 1 . . . . . . . . 4109 2 1087 . 1 1 88 88 ARG CB C 13 29.975 0.005 . 1 . . . . . . . . 4109 2 1088 . 1 1 88 88 ARG HB2 H 1 1.886 0.005 . 2 . . . . . . . . 4109 2 1089 . 1 1 88 88 ARG HB3 H 1 1.570 0.005 . 2 . . . . . . . . 4109 2 1090 . 1 1 88 88 ARG CG C 13 26.992 0.005 . 1 . . . . . . . . 4109 2 1091 . 1 1 88 88 ARG HG2 H 1 1.028 0.005 . 2 . . . . . . . . 4109 2 1092 . 1 1 88 88 ARG HG3 H 1 0.923 0.005 . 2 . . . . . . . . 4109 2 1093 . 1 1 88 88 ARG CD C 13 43.958 0.005 . 1 . . . . . . . . 4109 2 1094 . 1 1 88 88 ARG HD2 H 1 3.058 0.005 . 1 . . . . . . . . 4109 2 1095 . 1 1 88 88 ARG HD3 H 1 3.058 0.005 . 1 . . . . . . . . 4109 2 1096 . 1 1 88 88 ARG NE N 15 84.300 0.005 . 1 . . . . . . . . 4109 2 1097 . 1 1 88 88 ARG HE H 1 7.064 0.005 . 1 . . . . . . . . 4109 2 1098 . 1 1 88 88 ARG CZ C 13 158.037 0.050 . 1 . . . . . . . . 4109 2 1099 . 1 1 88 88 ARG C C 13 175.790 0.050 . 1 . . . . . . . . 4109 2 1100 . 1 1 89 89 ILE N N 15 127.107 0.050 . 1 . . . . . . . . 4109 2 1101 . 1 1 89 89 ILE H H 1 8.616 0.005 . 1 . . . . . . . . 4109 2 1102 . 1 1 89 89 ILE CA C 13 61.709 0.005 . 1 . . . . . . . . 4109 2 1103 . 1 1 89 89 ILE HA H 1 4.190 0.005 . 1 . . . . . . . . 4109 2 1104 . 1 1 89 89 ILE CB C 13 39.017 0.005 . 1 . . . . . . . . 4109 2 1105 . 1 1 89 89 ILE HB H 1 1.820 0.005 . 1 . . . . . . . . 4109 2 1106 . 1 1 89 89 ILE HG21 H 1 0.968 0.005 . 1 . . . . . . . . 4109 2 1107 . 1 1 89 89 ILE HG22 H 1 0.968 0.005 . 1 . . . . . . . . 4109 2 1108 . 1 1 89 89 ILE HG23 H 1 0.968 0.005 . 1 . . . . . . . . 4109 2 1109 . 1 1 89 89 ILE CG2 C 13 17.950 0.005 . 1 . . . . . . . . 4109 2 1110 . 1 1 89 89 ILE CG1 C 13 26.806 0.005 . 1 . . . . . . . . 4109 2 1111 . 1 1 89 89 ILE HG12 H 1 1.269 0.005 . 1 . . . . . . . . 4109 2 1112 . 1 1 89 89 ILE HG13 H 1 1.149 0.005 . 1 . . . . . . . . 4109 2 1113 . 1 1 89 89 ILE HD11 H 1 0.882 0.005 . 1 . . . . . . . . 4109 2 1114 . 1 1 89 89 ILE HD12 H 1 0.882 0.005 . 1 . . . . . . . . 4109 2 1115 . 1 1 89 89 ILE HD13 H 1 0.882 0.005 . 1 . . . . . . . . 4109 2 1116 . 1 1 89 89 ILE CD1 C 13 12.823 0.005 . 1 . . . . . . . . 4109 2 1117 . 1 1 89 89 ILE C C 13 175.762 0.050 . 1 . . . . . . . . 4109 2 1118 . 1 1 90 90 LEU N N 15 119.016 0.050 . 1 . . . . . . . . 4109 2 1119 . 1 1 90 90 LEU H H 1 7.179 0.005 . 1 . . . . . . . . 4109 2 1120 . 1 1 90 90 LEU CA C 13 55.423 0.005 . 1 . . . . . . . . 4109 2 1121 . 1 1 90 90 LEU HA H 1 4.472 0.005 . 1 . . . . . . . . 4109 2 1122 . 1 1 90 90 LEU CB C 13 45.449 0.005 . 1 . . . . . . . . 4109 2 1123 . 1 1 90 90 LEU HB2 H 1 1.496 0.005 . 2 . . . . . . . . 4109 2 1124 . 1 1 90 90 LEU HB3 H 1 1.405 0.005 . 2 . . . . . . . . 4109 2 1125 . 1 1 90 90 LEU CG C 13 26.713 0.005 . 1 . . . . . . . . 4109 2 1126 . 1 1 90 90 LEU HG H 1 1.381 0.005 . 1 . . . . . . . . 4109 2 1127 . 1 1 90 90 LEU HD11 H 1 0.718 0.005 . 2 . . . . . . . . 4109 2 1128 . 1 1 90 90 LEU HD12 H 1 0.718 0.005 . 2 . . . . . . . . 4109 2 1129 . 1 1 90 90 LEU HD13 H 1 0.718 0.005 . 2 . . . . . . . . 4109 2 1130 . 1 1 90 90 LEU HD21 H 1 0.572 0.005 . 2 . . . . . . . . 4109 2 1131 . 1 1 90 90 LEU HD22 H 1 0.572 0.005 . 2 . . . . . . . . 4109 2 1132 . 1 1 90 90 LEU HD23 H 1 0.572 0.005 . 2 . . . . . . . . 4109 2 1133 . 1 1 90 90 LEU CD1 C 13 26.153 0.005 . 2 . . . . . . . . 4109 2 1134 . 1 1 90 90 LEU CD2 C 13 26.806 0.005 . 2 . . . . . . . . 4109 2 1135 . 1 1 90 90 LEU C C 13 174.380 0.050 . 1 . . . . . . . . 4109 2 1136 . 1 1 91 91 ASN N N 15 122.614 0.050 . 1 . . . . . . . . 4109 2 1137 . 1 1 91 91 ASN H H 1 8.421 0.005 . 1 . . . . . . . . 4109 2 1138 . 1 1 91 91 ASN CA C 13 53.000 0.005 . 1 . . . . . . . . 4109 2 1139 . 1 1 91 91 ASN HA H 1 5.379 0.005 . 1 . . . . . . . . 4109 2 1140 . 1 1 91 91 ASN CB C 13 40.695 0.005 . 1 . . . . . . . . 4109 2 1141 . 1 1 91 91 ASN HB2 H 1 2.599 0.005 . 2 . . . . . . . . 4109 2 1142 . 1 1 91 91 ASN HB3 H 1 2.418 0.005 . 2 . . . . . . . . 4109 2 1143 . 1 1 91 91 ASN CG C 13 176.333 0.050 . 1 . . . . . . . . 4109 2 1144 . 1 1 91 91 ASN ND2 N 15 112.640 0.050 . 1 . . . . . . . . 4109 2 1145 . 1 1 91 91 ASN HD21 H 1 7.195 0.005 . 1 . . . . . . . . 4109 2 1146 . 1 1 91 91 ASN HD22 H 1 6.783 0.005 . 1 . . . . . . . . 4109 2 1147 . 1 1 91 91 ASN C C 13 173.451 0.050 . 1 . . . . . . . . 4109 2 1148 . 1 1 92 92 LYS N N 15 124.707 0.050 . 1 . . . . . . . . 4109 2 1149 . 1 1 92 92 LYS H H 1 8.672 0.005 . 1 . . . . . . . . 4109 2 1150 . 1 1 92 92 LYS CA C 13 54.118 0.005 . 1 . . . . . . . . 4109 2 1151 . 1 1 92 92 LYS HA H 1 4.751 0.005 . 1 . . . . . . . . 4109 2 1152 . 1 1 92 92 LYS CB C 13 36.967 0.005 . 1 . . . . . . . . 4109 2 1153 . 1 1 92 92 LYS HB2 H 1 1.694 0.005 . 2 . . . . . . . . 4109 2 1154 . 1 1 92 92 LYS HB3 H 1 1.393 0.005 . 2 . . . . . . . . 4109 2 1155 . 1 1 92 92 LYS CG C 13 25.221 0.005 . 1 . . . . . . . . 4109 2 1156 . 1 1 92 92 LYS HG2 H 1 1.301 0.005 . 1 . . . . . . . . 4109 2 1157 . 1 1 92 92 LYS HG3 H 1 1.301 0.005 . 1 . . . . . . . . 4109 2 1158 . 1 1 92 92 LYS CD C 13 28.950 0.005 . 1 . . . . . . . . 4109 2 1159 . 1 1 92 92 LYS HD2 H 1 1.842 0.005 . 1 . . . . . . . . 4109 2 1160 . 1 1 92 92 LYS HD3 H 1 1.674 0.005 . 1 . . . . . . . . 4109 2 1161 . 1 1 92 92 LYS CE C 13 42.280 0.005 . 1 . . . . . . . . 4109 2 1162 . 1 1 92 92 LYS HE2 H 1 3.076 0.005 . 1 . . . . . . . . 4109 2 1163 . 1 1 92 92 LYS HE3 H 1 2.966 0.005 . 1 . . . . . . . . 4109 2 1164 . 1 1 92 92 LYS C C 13 173.258 0.050 . 1 . . . . . . . . 4109 2 1165 . 1 1 93 93 ALA N N 15 125.302 0.050 . 1 . . . . . . . . 4109 2 1166 . 1 1 93 93 ALA H H 1 8.288 0.005 . 1 . . . . . . . . 4109 2 1167 . 1 1 93 93 ALA CA C 13 50.669 0.005 . 1 . . . . . . . . 4109 2 1168 . 1 1 93 93 ALA HA H 1 5.469 0.005 . 1 . . . . . . . . 4109 2 1169 . 1 1 93 93 ALA HB1 H 1 1.295 0.005 . 1 . . . . . . . . 4109 2 1170 . 1 1 93 93 ALA HB2 H 1 1.295 0.005 . 1 . . . . . . . . 4109 2 1171 . 1 1 93 93 ALA HB3 H 1 1.295 0.005 . 1 . . . . . . . . 4109 2 1172 . 1 1 93 93 ALA CB C 13 21.586 0.005 . 1 . . . . . . . . 4109 2 1173 . 1 1 93 93 ALA C C 13 176.944 0.050 . 1 . . . . . . . . 4109 2 1174 . 1 1 94 94 LEU N N 15 124.393 0.050 . 1 . . . . . . . . 4109 2 1175 . 1 1 94 94 LEU H H 1 9.434 0.005 . 1 . . . . . . . . 4109 2 1176 . 1 1 94 94 LEU CA C 13 53.932 0.005 . 1 . . . . . . . . 4109 2 1177 . 1 1 94 94 LEU HA H 1 4.928 0.005 . 1 . . . . . . . . 4109 2 1178 . 1 1 94 94 LEU CB C 13 45.822 0.005 . 1 . . . . . . . . 4109 2 1179 . 1 1 94 94 LEU HB2 H 1 1.794 0.005 . 2 . . . . . . . . 4109 2 1180 . 1 1 94 94 LEU HB3 H 1 1.503 0.005 . 2 . . . . . . . . 4109 2 1181 . 1 1 94 94 LEU CG C 13 27.925 0.005 . 1 . . . . . . . . 4109 2 1182 . 1 1 94 94 LEU HG H 1 1.724 0.005 . 1 . . . . . . . . 4109 2 1183 . 1 1 94 94 LEU HD11 H 1 1.049 0.005 . 2 . . . . . . . . 4109 2 1184 . 1 1 94 94 LEU HD12 H 1 1.049 0.005 . 2 . . . . . . . . 4109 2 1185 . 1 1 94 94 LEU HD13 H 1 1.049 0.005 . 2 . . . . . . . . 4109 2 1186 . 1 1 94 94 LEU HD21 H 1 0.995 0.005 . 2 . . . . . . . . 4109 2 1187 . 1 1 94 94 LEU HD22 H 1 0.995 0.005 . 2 . . . . . . . . 4109 2 1188 . 1 1 94 94 LEU HD23 H 1 0.995 0.005 . 2 . . . . . . . . 4109 2 1189 . 1 1 94 94 LEU CD1 C 13 25.874 0.005 . 2 . . . . . . . . 4109 2 1190 . 1 1 94 94 LEU CD2 C 13 25.128 0.005 . 2 . . . . . . . . 4109 2 1191 . 1 1 94 94 LEU C C 13 174.671 0.050 . 1 . . . . . . . . 4109 2 1192 . 1 1 95 95 ASP N N 15 123.808 0.050 . 1 . . . . . . . . 4109 2 1193 . 1 1 95 95 ASP H H 1 8.729 0.005 . 1 . . . . . . . . 4109 2 1194 . 1 1 95 95 ASP CA C 13 53.279 0.005 . 1 . . . . . . . . 4109 2 1195 . 1 1 95 95 ASP HA H 1 5.091 0.005 . 1 . . . . . . . . 4109 2 1196 . 1 1 95 95 ASP CB C 13 41.814 0.005 . 1 . . . . . . . . 4109 2 1197 . 1 1 95 95 ASP HB2 H 1 2.569 0.005 . 1 . . . . . . . . 4109 2 1198 . 1 1 95 95 ASP HB3 H 1 2.569 0.005 . 1 . . . . . . . . 4109 2 1199 . 1 1 95 95 ASP CG C 13 179.408 0.050 . 1 . . . . . . . . 4109 2 1200 . 1 1 95 95 ASP C C 13 173.537 0.050 . 1 . . . . . . . . 4109 2 1201 . 1 1 96 96 LEU N N 15 128.342 0.050 . 1 . . . . . . . . 4109 2 1202 . 1 1 96 96 LEU H H 1 8.991 0.005 . 1 . . . . . . . . 4109 2 1203 . 1 1 96 96 LEU CA C 13 54.408 0.005 . 1 . . . . . . . . 4109 2 1204 . 1 1 96 96 LEU HA H 1 4.989 0.005 . 1 . . . . . . . . 4109 2 1205 . 1 1 96 96 LEU CB C 13 43.398 0.005 . 1 . . . . . . . . 4109 2 1206 . 1 1 96 96 LEU HB2 H 1 2.369 0.005 . 2 . . . . . . . . 4109 2 1207 . 1 1 96 96 LEU HB3 H 1 1.155 0.005 . 2 . . . . . . . . 4109 2 1208 . 1 1 96 96 LEU CG C 13 28.484 0.005 . 1 . . . . . . . . 4109 2 1209 . 1 1 96 96 LEU HG H 1 1.268 0.005 . 1 . . . . . . . . 4109 2 1210 . 1 1 96 96 LEU CD1 C 13 26.060 0.005 . 2 . . . . . . . . 4109 2 1211 . 1 1 96 96 LEU CD2 C 13 24.569 0.005 . 2 . . . . . . . . 4109 2 1212 . 1 1 96 96 LEU HD11 H 1 0.707 0.005 . 1 . . . . . . . . 4109 2 1213 . 1 1 96 96 LEU HD12 H 1 0.707 0.005 . 1 . . . . . . . . 4109 2 1214 . 1 1 96 96 LEU HD13 H 1 0.707 0.005 . 1 . . . . . . . . 4109 2 1215 . 1 1 96 96 LEU HD21 H 1 0.707 0.005 . 1 . . . . . . . . 4109 2 1216 . 1 1 96 96 LEU HD22 H 1 0.707 0.005 . 1 . . . . . . . . 4109 2 1217 . 1 1 96 96 LEU HD23 H 1 0.707 0.005 . 1 . . . . . . . . 4109 2 1218 . 1 1 96 96 LEU C C 13 175.790 0.050 . 1 . . . . . . . . 4109 2 1219 . 1 1 97 97 ARG N N 15 129.308 0.050 . 1 . . . . . . . . 4109 2 1220 . 1 1 97 97 ARG H H 1 8.890 0.005 . 1 . . . . . . . . 4109 2 1221 . 1 1 97 97 ARG CA C 13 53.652 0.005 . 1 . . . . . . . . 4109 2 1222 . 1 1 97 97 ARG HA H 1 4.503 0.005 . 1 . . . . . . . . 4109 2 1223 . 1 1 97 97 ARG CB C 13 32.399 0.005 . 1 . . . . . . . . 4109 2 1224 . 1 1 97 97 ARG HB2 H 1 1.146 0.005 . 2 . . . . . . . . 4109 2 1225 . 1 1 97 97 ARG HB3 H 1 0.161 0.005 . 2 . . . . . . . . 4109 2 1226 . 1 1 97 97 ARG CG C 13 26.806 0.005 . 1 . . . . . . . . 4109 2 1227 . 1 1 97 97 ARG HG2 H 1 1.120 0.005 . 2 . . . . . . . . 4109 2 1228 . 1 1 97 97 ARG HG3 H 1 0.950 0.005 . 2 . . . . . . . . 4109 2 1229 . 1 1 97 97 ARG CD C 13 42.932 0.005 . 1 . . . . . . . . 4109 2 1230 . 1 1 97 97 ARG HD2 H 1 2.723 0.005 . 1 . . . . . . . . 4109 2 1231 . 1 1 97 97 ARG HD3 H 1 2.668 0.005 . 1 . . . . . . . . 4109 2 1232 . 1 1 97 97 ARG NE N 15 86.341 0.005 . 1 . . . . . . . . 4109 2 1233 . 1 1 97 97 ARG HE H 1 7.145 0.005 . 1 . . . . . . . . 4109 2 1234 . 1 1 97 97 ARG CZ C 13 157.655 0.050 . 1 . . . . . . . . 4109 2 1235 . 1 1 97 97 ARG C C 13 174.096 0.050 . 1 . . . . . . . . 4109 2 1236 . 1 1 98 98 ILE N N 15 120.755 0.050 . 1 . . . . . . . . 4109 2 1237 . 1 1 98 98 ILE H H 1 8.387 0.005 . 1 . . . . . . . . 4109 2 1238 . 1 1 98 98 ILE CA C 13 58.779 0.005 . 1 . . . . . . . . 4109 2 1239 . 1 1 98 98 ILE HA H 1 4.702 0.005 . 1 . . . . . . . . 4109 2 1240 . 1 1 98 98 ILE CB C 13 38.085 0.005 . 1 . . . . . . . . 4109 2 1241 . 1 1 98 98 ILE HB H 1 1.952 0.005 . 1 . . . . . . . . 4109 2 1242 . 1 1 98 98 ILE HG21 H 1 0.882 0.005 . 1 . . . . . . . . 4109 2 1243 . 1 1 98 98 ILE HG22 H 1 0.882 0.005 . 1 . . . . . . . . 4109 2 1244 . 1 1 98 98 ILE HG23 H 1 0.882 0.005 . 1 . . . . . . . . 4109 2 1245 . 1 1 98 98 ILE CG2 C 13 18.137 0.005 . 1 . . . . . . . . 4109 2 1246 . 1 1 98 98 ILE CG1 C 13 27.925 0.005 . 1 . . . . . . . . 4109 2 1247 . 1 1 98 98 ILE HG12 H 1 1.403 0.005 . 1 . . . . . . . . 4109 2 1248 . 1 1 98 98 ILE HG13 H 1 1.293 0.005 . 1 . . . . . . . . 4109 2 1249 . 1 1 98 98 ILE HD11 H 1 0.701 0.005 . 1 . . . . . . . . 4109 2 1250 . 1 1 98 98 ILE HD12 H 1 0.701 0.005 . 1 . . . . . . . . 4109 2 1251 . 1 1 98 98 ILE HD13 H 1 0.701 0.005 . 1 . . . . . . . . 4109 2 1252 . 1 1 98 98 ILE CD1 C 13 12.264 0.005 . 1 . . . . . . . . 4109 2 1253 . 1 1 98 98 ILE C C 13 176.762 0.050 . 1 . . . . . . . . 4109 2 1254 . 1 1 99 99 LEU N N 15 130.468 0.050 . 1 . . . . . . . . 4109 2 1255 . 1 1 99 99 LEU H H 1 8.848 0.005 . 1 . . . . . . . . 4109 2 1256 . 1 1 99 99 LEU CA C 13 55.237 0.005 . 1 . . . . . . . . 4109 2 1257 . 1 1 99 99 LEU HA H 1 4.507 0.005 . 1 . . . . . . . . 4109 2 1258 . 1 1 99 99 LEU CB C 13 43.119 0.005 . 1 . . . . . . . . 4109 2 1259 . 1 1 99 99 LEU HB2 H 1 1.674 0.005 . 2 . . . . . . . . 4109 2 1260 . 1 1 99 99 LEU HB3 H 1 1.599 0.005 . 2 . . . . . . . . 4109 2 1261 . 1 1 99 99 LEU CG C 13 27.194 0.005 . 1 . . . . . . . . 4109 2 1262 . 1 1 99 99 LEU HG H 1 1.687 0.005 . 1 . . . . . . . . 4109 2 1263 . 1 1 99 99 LEU HD11 H 1 0.764 0.005 . 2 . . . . . . . . 4109 2 1264 . 1 1 99 99 LEU HD12 H 1 0.764 0.005 . 2 . . . . . . . . 4109 2 1265 . 1 1 99 99 LEU HD13 H 1 0.764 0.005 . 2 . . . . . . . . 4109 2 1266 . 1 1 99 99 LEU HD21 H 1 0.766 0.005 . 2 . . . . . . . . 4109 2 1267 . 1 1 99 99 LEU HD22 H 1 0.766 0.005 . 2 . . . . . . . . 4109 2 1268 . 1 1 99 99 LEU HD23 H 1 0.766 0.005 . 2 . . . . . . . . 4109 2 1269 . 1 1 99 99 LEU CD1 C 13 24.755 0.005 . 2 . . . . . . . . 4109 2 1270 . 1 1 99 99 LEU CD2 C 13 24.196 0.005 . 2 . . . . . . . . 4109 2 1271 . 1 1 99 99 LEU C C 13 175.704 0.050 . 1 . . . . . . . . 4109 2 1272 . 1 1 100 100 GLU N N 15 129.032 0.050 . 1 . . . . . . . . 4109 2 1273 . 1 1 100 100 GLU H H 1 8.116 0.005 . 1 . . . . . . . . 4109 2 1274 . 1 1 100 100 GLU CA C 13 57.661 0.005 . 1 . . . . . . . . 4109 2 1275 . 1 1 100 100 GLU HA H 1 4.247 0.005 . 1 . . . . . . . . 4109 2 1276 . 1 1 100 100 GLU CB C 13 31.001 0.005 . 1 . . . . . . . . 4109 2 1277 . 1 1 100 100 GLU HB2 H 1 2.119 0.005 . 2 . . . . . . . . 4109 2 1278 . 1 1 100 100 GLU HB3 H 1 1.952 0.005 . 2 . . . . . . . . 4109 2 1279 . 1 1 100 100 GLU CG C 13 35.848 0.005 . 1 . . . . . . . . 4109 2 1280 . 1 1 100 100 GLU HG2 H 1 2.308 0.005 . 1 . . . . . . . . 4109 2 1281 . 1 1 100 100 GLU HG3 H 1 2.308 0.005 . 1 . . . . . . . . 4109 2 1282 . 1 1 100 100 GLU CD C 13 184.068 0.050 . 1 . . . . . . . . 4109 2 1283 . 1 1 100 100 GLU C C 13 180.713 0.050 . 1 . . . . . . . . 4109 2 stop_ save_ save_chemical_shift_assignment_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_three _Assigned_chem_shift_list.Entry_ID 4109 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_three _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4109 3 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 2 2 ARG CA C 13 56.372 0.050 . 1 . . . . . . . . 4109 3 2 . 1 1 2 2 ARG HA H 1 4.380 0.005 . 1 . . . . . . . . 4109 3 3 . 1 1 2 2 ARG CB C 13 35.156 0.050 . 1 . . . . . . . . 4109 3 4 . 1 1 2 2 ARG HB2 H 1 2.046 0.005 . 2 . . . . . . . . 4109 3 5 . 1 1 2 2 ARG HB3 H 1 1.980 0.005 . 2 . . . . . . . . 4109 3 6 . 1 1 2 2 ARG CD C 13 43.388 0.050 . 1 . . . . . . . . 4109 3 7 . 1 1 2 2 ARG HD2 H 1 3.172 0.005 . 1 . . . . . . . . 4109 3 8 . 1 1 2 2 ARG HD3 H 1 3.172 0.005 . 1 . . . . . . . . 4109 3 9 . 1 1 3 3 ASP CA C 13 54.845 0.050 . 1 . . . . . . . . 4109 3 10 . 1 1 3 3 ASP HA H 1 4.678 0.005 . 1 . . . . . . . . 4109 3 11 . 1 1 3 3 ASP CB C 13 41.406 0.050 . 1 . . . . . . . . 4109 3 12 . 1 1 3 3 ASP HB2 H 1 2.803 0.005 . 2 . . . . . . . . 4109 3 13 . 1 1 3 3 ASP HB3 H 1 2.697 0.005 . 2 . . . . . . . . 4109 3 14 . 1 1 4 4 SER CA C 13 58.686 0.050 . 1 . . . . . . . . 4109 3 15 . 1 1 4 4 SER HA H 1 4.618 0.005 . 1 . . . . . . . . 4109 3 16 . 1 1 4 4 SER CB C 13 64.241 0.050 . 1 . . . . . . . . 4109 3 17 . 1 1 4 4 SER HB2 H 1 3.913 0.005 . 1 . . . . . . . . 4109 3 18 . 1 1 4 4 SER HB3 H 1 3.913 0.005 . 1 . . . . . . . . 4109 3 19 . 1 1 5 5 GLY N N 15 111.686 0.050 . 1 . . . . . . . . 4109 3 20 . 1 1 5 5 GLY H H 1 8.590 0.005 . 1 . . . . . . . . 4109 3 21 . 1 1 5 5 GLY CA C 13 45.594 0.050 . 1 . . . . . . . . 4109 3 22 . 1 1 5 5 GLY HA2 H 1 4.228 0.005 . 1 . . . . . . . . 4109 3 23 . 1 1 5 5 GLY HA3 H 1 4.009 0.005 . 1 . . . . . . . . 4109 3 24 . 1 1 6 6 THR N N 15 118.900 0.050 . 1 . . . . . . . . 4109 3 25 . 1 1 6 6 THR H H 1 7.995 0.005 . 1 . . . . . . . . 4109 3 26 . 1 1 6 6 THR CA C 13 62.628 0.050 . 1 . . . . . . . . 4109 3 27 . 1 1 6 6 THR HA H 1 4.854 0.005 . 1 . . . . . . . . 4109 3 28 . 1 1 6 6 THR CB C 13 70.711 0.050 . 1 . . . . . . . . 4109 3 29 . 1 1 6 6 THR HB H 1 3.756 0.005 . 1 . . . . . . . . 4109 3 30 . 1 1 6 6 THR CG2 C 13 21.313 0.050 . 1 . . . . . . . . 4109 3 31 . 1 1 6 6 THR HG21 H 1 0.428 0.005 . 1 . . . . . . . . 4109 3 32 . 1 1 6 6 THR HG22 H 1 0.428 0.005 . 1 . . . . . . . . 4109 3 33 . 1 1 6 6 THR HG23 H 1 0.428 0.005 . 1 . . . . . . . . 4109 3 34 . 1 1 7 7 VAL N N 15 128.862 0.050 . 1 . . . . . . . . 4109 3 35 . 1 1 7 7 VAL H H 1 9.008 0.005 . 1 . . . . . . . . 4109 3 36 . 1 1 7 7 VAL CA C 13 61.119 0.050 . 1 . . . . . . . . 4109 3 37 . 1 1 7 7 VAL HA H 1 4.278 0.005 . 1 . . . . . . . . 4109 3 38 . 1 1 7 7 VAL CB C 13 34.543 0.050 . 1 . . . . . . . . 4109 3 39 . 1 1 7 7 VAL HB H 1 1.787 0.005 . 1 . . . . . . . . 4109 3 40 . 1 1 7 7 VAL CG1 C 13 21.099 0.050 . 2 . . . . . . . . 4109 3 41 . 1 1 7 7 VAL HG11 H 1 0.894 0.005 . 2 . . . . . . . . 4109 3 42 . 1 1 7 7 VAL HG12 H 1 0.894 0.005 . 2 . . . . . . . . 4109 3 43 . 1 1 7 7 VAL HG13 H 1 0.894 0.005 . 2 . . . . . . . . 4109 3 44 . 1 1 7 7 VAL CG2 C 13 21.649 0.050 . 2 . . . . . . . . 4109 3 45 . 1 1 7 7 VAL HG21 H 1 0.868 0.005 . 2 . . . . . . . . 4109 3 46 . 1 1 7 7 VAL HG22 H 1 0.868 0.005 . 2 . . . . . . . . 4109 3 47 . 1 1 7 7 VAL HG23 H 1 0.868 0.005 . 2 . . . . . . . . 4109 3 48 . 1 1 8 8 TRP N N 15 126.590 0.050 . 1 . . . . . . . . 4109 3 49 . 1 1 8 8 TRP H H 1 8.501 0.005 . 1 . . . . . . . . 4109 3 50 . 1 1 8 8 TRP CA C 13 55.858 0.050 . 1 . . . . . . . . 4109 3 51 . 1 1 8 8 TRP HA H 1 5.259 0.005 . 1 . . . . . . . . 4109 3 52 . 1 1 8 8 TRP CB C 13 30.990 0.050 . 1 . . . . . . . . 4109 3 53 . 1 1 8 8 TRP HB2 H 1 2.951 0.005 . 1 . . . . . . . . 4109 3 54 . 1 1 8 8 TRP HB3 H 1 2.951 0.005 . 1 . . . . . . . . 4109 3 55 . 1 1 9 9 GLY N N 15 109.487 0.050 . 1 . . . . . . . . 4109 3 56 . 1 1 9 9 GLY H H 1 8.821 0.005 . 1 . . . . . . . . 4109 3 57 . 1 1 9 9 GLY CA C 13 44.040 0.050 . 1 . . . . . . . . 4109 3 58 . 1 1 9 9 GLY HA2 H 1 4.603 0.005 . 1 . . . . . . . . 4109 3 59 . 1 1 9 9 GLY HA3 H 1 3.235 0.005 . 1 . . . . . . . . 4109 3 60 . 1 1 10 10 ALA N N 15 125.226 0.050 . 1 . . . . . . . . 4109 3 61 . 1 1 10 10 ALA H H 1 8.255 0.005 . 1 . . . . . . . . 4109 3 62 . 1 1 10 10 ALA CA C 13 50.355 0.050 . 1 . . . . . . . . 4109 3 63 . 1 1 10 10 ALA HA H 1 4.816 0.005 . 1 . . . . . . . . 4109 3 64 . 1 1 10 10 ALA CB C 13 20.342 0.050 . 1 . . . . . . . . 4109 3 65 . 1 1 10 10 ALA HB1 H 1 1.106 0.005 . 1 . . . . . . . . 4109 3 66 . 1 1 10 10 ALA HB2 H 1 1.106 0.005 . 1 . . . . . . . . 4109 3 67 . 1 1 10 10 ALA HB3 H 1 1.106 0.005 . 1 . . . . . . . . 4109 3 68 . 1 1 11 11 LEU N N 15 122.897 0.050 . 1 . . . . . . . . 4109 3 69 . 1 1 11 11 LEU H H 1 8.645 0.005 . 1 . . . . . . . . 4109 3 70 . 1 1 11 11 LEU CA C 13 56.002 0.050 . 1 . . . . . . . . 4109 3 71 . 1 1 11 11 LEU HA H 1 3.759 0.005 . 1 . . . . . . . . 4109 3 72 . 1 1 11 11 LEU CB C 13 41.917 0.050 . 1 . . . . . . . . 4109 3 73 . 1 1 11 11 LEU CG C 13 26.603 0.050 . 1 . . . . . . . . 4109 3 74 . 1 1 11 11 LEU HG H 1 1.700 0.005 . 1 . . . . . . . . 4109 3 75 . 1 1 11 11 LEU CD1 C 13 25.287 0.050 . 2 . . . . . . . . 4109 3 76 . 1 1 11 11 LEU HD11 H 1 0.940 0.005 . 2 . . . . . . . . 4109 3 77 . 1 1 11 11 LEU HD12 H 1 0.940 0.005 . 2 . . . . . . . . 4109 3 78 . 1 1 11 11 LEU HD13 H 1 0.940 0.005 . 2 . . . . . . . . 4109 3 79 . 1 1 11 11 LEU CD2 C 13 24.471 0.050 . 2 . . . . . . . . 4109 3 80 . 1 1 11 11 LEU HD21 H 1 0.764 0.005 . 2 . . . . . . . . 4109 3 81 . 1 1 11 11 LEU HD22 H 1 0.764 0.005 . 2 . . . . . . . . 4109 3 82 . 1 1 11 11 LEU HD23 H 1 0.764 0.005 . 2 . . . . . . . . 4109 3 83 . 1 1 11 11 LEU HB2 H 1 1.608 0.005 . 1 . . . . . . . . 4109 3 84 . 1 1 11 11 LEU HB3 H 1 1.608 0.005 . 1 . . . . . . . . 4109 3 85 . 1 1 12 12 GLY N N 15 112.315 0.050 . 1 . . . . . . . . 4109 3 86 . 1 1 12 12 GLY H H 1 9.290 0.005 . 1 . . . . . . . . 4109 3 87 . 1 1 12 12 GLY CA C 13 45.490 0.050 . 1 . . . . . . . . 4109 3 88 . 1 1 12 12 GLY HA2 H 1 4.066 0.005 . 1 . . . . . . . . 4109 3 89 . 1 1 12 12 GLY HA3 H 1 4.066 0.005 . 1 . . . . . . . . 4109 3 90 . 1 1 13 13 HIS N N 15 119.814 0.050 . 1 . . . . . . . . 4109 3 91 . 1 1 13 13 HIS H H 1 7.813 0.005 . 1 . . . . . . . . 4109 3 92 . 1 1 14 14 GLY N N 15 109.903 0.050 . 1 . . . . . . . . 4109 3 93 . 1 1 14 14 GLY H H 1 8.593 0.005 . 1 . . . . . . . . 4109 3 94 . 1 1 14 14 GLY CA C 13 45.024 0.050 . 1 . . . . . . . . 4109 3 95 . 1 1 14 14 GLY HA2 H 1 4.652 0.005 . 1 . . . . . . . . 4109 3 96 . 1 1 14 14 GLY HA3 H 1 3.496 0.005 . 1 . . . . . . . . 4109 3 97 . 1 1 15 15 ILE N N 15 121.113 0.050 . 1 . . . . . . . . 4109 3 98 . 1 1 15 15 ILE H H 1 8.631 0.005 . 1 . . . . . . . . 4109 3 99 . 1 1 15 15 ILE CA C 13 59.224 0.050 . 1 . . . . . . . . 4109 3 100 . 1 1 15 15 ILE HA H 1 4.486 0.005 . 1 . . . . . . . . 4109 3 101 . 1 1 15 15 ILE CB C 13 41.755 0.050 . 1 . . . . . . . . 4109 3 102 . 1 1 15 15 ILE HB H 1 1.804 0.005 . 1 . . . . . . . . 4109 3 103 . 1 1 15 15 ILE CG1 C 13 29.074 0.050 . 1 . . . . . . . . 4109 3 104 . 1 1 15 15 ILE HG12 H 1 1.372 0.005 . 2 . . . . . . . . 4109 3 105 . 1 1 15 15 ILE HG13 H 1 1.005 0.005 . 2 . . . . . . . . 4109 3 106 . 1 1 15 15 ILE CG2 C 13 18.037 0.050 . 1 . . . . . . . . 4109 3 107 . 1 1 15 15 ILE HG21 H 1 0.694 0.005 . 1 . . . . . . . . 4109 3 108 . 1 1 15 15 ILE HG22 H 1 0.694 0.005 . 1 . . . . . . . . 4109 3 109 . 1 1 15 15 ILE HG23 H 1 0.694 0.005 . 1 . . . . . . . . 4109 3 110 . 1 1 15 15 ILE CD1 C 13 14.685 0.050 . 1 . . . . . . . . 4109 3 111 . 1 1 15 15 ILE HD11 H 1 0.832 0.005 . 1 . . . . . . . . 4109 3 112 . 1 1 15 15 ILE HD12 H 1 0.832 0.005 . 1 . . . . . . . . 4109 3 113 . 1 1 15 15 ILE HD13 H 1 0.832 0.005 . 1 . . . . . . . . 4109 3 114 . 1 1 16 16 ASN N N 15 124.035 0.050 . 1 . . . . . . . . 4109 3 115 . 1 1 16 16 ASN H H 1 7.854 0.005 . 1 . . . . . . . . 4109 3 116 . 1 1 16 16 ASN CA C 13 51.147 0.050 . 1 . . . . . . . . 4109 3 117 . 1 1 16 16 ASN HA H 1 5.283 0.005 . 1 . . . . . . . . 4109 3 118 . 1 1 16 16 ASN CB C 13 39.062 0.050 . 1 . . . . . . . . 4109 3 119 . 1 1 16 16 ASN HB2 H 1 2.548 0.005 . 2 . . . . . . . . 4109 3 120 . 1 1 16 16 ASN HB3 H 1 2.166 0.005 . 2 . . . . . . . . 4109 3 121 . 1 1 17 17 LEU N N 15 125.977 0.050 . 1 . . . . . . . . 4109 3 122 . 1 1 17 17 LEU H H 1 9.378 0.005 . 1 . . . . . . . . 4109 3 123 . 1 1 17 17 LEU CA C 13 53.886 0.050 . 1 . . . . . . . . 4109 3 124 . 1 1 17 17 LEU HA H 1 4.261 0.005 . 1 . . . . . . . . 4109 3 125 . 1 1 17 17 LEU CB C 13 41.244 0.050 . 1 . . . . . . . . 4109 3 126 . 1 1 17 17 LEU CD1 C 13 24.153 0.050 . 2 . . . . . . . . 4109 3 127 . 1 1 17 17 LEU HD11 H 1 0.422 0.005 . 2 . . . . . . . . 4109 3 128 . 1 1 17 17 LEU HD12 H 1 0.422 0.005 . 2 . . . . . . . . 4109 3 129 . 1 1 17 17 LEU HD13 H 1 0.422 0.005 . 2 . . . . . . . . 4109 3 130 . 1 1 17 17 LEU CD2 C 13 25.482 0.050 . 2 . . . . . . . . 4109 3 131 . 1 1 17 17 LEU HD21 H 1 0.052 0.005 . 2 . . . . . . . . 4109 3 132 . 1 1 17 17 LEU HD22 H 1 0.052 0.005 . 2 . . . . . . . . 4109 3 133 . 1 1 17 17 LEU HD23 H 1 0.052 0.005 . 2 . . . . . . . . 4109 3 134 . 1 1 17 17 LEU HB2 H 1 1.201 0.005 . 1 . . . . . . . . 4109 3 135 . 1 1 17 17 LEU HB3 H 1 1.201 0.005 . 1 . . . . . . . . 4109 3 136 . 1 1 18 18 ASN N N 15 120.314 0.050 . 1 . . . . . . . . 4109 3 137 . 1 1 18 18 ASN H H 1 7.996 0.005 . 1 . . . . . . . . 4109 3 138 . 1 1 18 18 ASN CA C 13 51.829 0.050 . 1 . . . . . . . . 4109 3 139 . 1 1 18 18 ASN HA H 1 4.823 0.005 . 1 . . . . . . . . 4109 3 140 . 1 1 18 18 ASN CB C 13 40.923 0.050 . 1 . . . . . . . . 4109 3 141 . 1 1 18 18 ASN HB2 H 1 2.741 0.005 . 2 . . . . . . . . 4109 3 142 . 1 1 18 18 ASN HB3 H 1 2.493 0.005 . 2 . . . . . . . . 4109 3 143 . 1 1 19 19 ILE N N 15 125.303 0.050 . 1 . . . . . . . . 4109 3 144 . 1 1 19 19 ILE H H 1 8.481 0.005 . 1 . . . . . . . . 4109 3 145 . 1 1 19 19 ILE CA C 13 60.722 0.050 . 1 . . . . . . . . 4109 3 146 . 1 1 19 19 ILE HA H 1 3.880 0.005 . 1 . . . . . . . . 4109 3 147 . 1 1 19 19 ILE CB C 13 37.287 0.050 . 1 . . . . . . . . 4109 3 148 . 1 1 19 19 ILE HB H 1 1.947 0.005 . 1 . . . . . . . . 4109 3 149 . 1 1 19 19 ILE CG1 C 13 28.866 0.050 . 1 . . . . . . . . 4109 3 150 . 1 1 19 19 ILE HG12 H 1 2.120 0.005 . 2 . . . . . . . . 4109 3 151 . 1 1 19 19 ILE HG13 H 1 0.639 0.005 . 2 . . . . . . . . 4109 3 152 . 1 1 19 19 ILE CG2 C 13 18.189 0.050 . 1 . . . . . . . . 4109 3 153 . 1 1 19 19 ILE HG21 H 1 0.336 0.005 . 1 . . . . . . . . 4109 3 154 . 1 1 19 19 ILE HG22 H 1 0.336 0.005 . 1 . . . . . . . . 4109 3 155 . 1 1 19 19 ILE HG23 H 1 0.336 0.005 . 1 . . . . . . . . 4109 3 156 . 1 1 19 19 ILE CD1 C 13 12.849 0.050 . 1 . . . . . . . . 4109 3 157 . 1 1 19 19 ILE HD11 H 1 0.441 0.005 . 1 . . . . . . . . 4109 3 158 . 1 1 19 19 ILE HD12 H 1 0.441 0.005 . 1 . . . . . . . . 4109 3 159 . 1 1 19 19 ILE HD13 H 1 0.441 0.005 . 1 . . . . . . . . 4109 3 160 . 1 1 20 20 PRO CA C 13 63.289 0.050 . 1 . . . . . . . . 4109 3 161 . 1 1 20 20 PRO HA H 1 4.308 0.005 . 1 . . . . . . . . 4109 3 162 . 1 1 20 20 PRO CB C 13 32.305 0.050 . 1 . . . . . . . . 4109 3 163 . 1 1 20 20 PRO HB2 H 1 2.251 0.005 . 2 . . . . . . . . 4109 3 164 . 1 1 20 20 PRO HB3 H 1 1.811 0.005 . 2 . . . . . . . . 4109 3 165 . 1 1 20 20 PRO CG C 13 27.313 0.050 . 1 . . . . . . . . 4109 3 166 . 1 1 20 20 PRO HG2 H 1 2.145 0.005 . 2 . . . . . . . . 4109 3 167 . 1 1 20 20 PRO HG3 H 1 2.063 0.005 . 2 . . . . . . . . 4109 3 168 . 1 1 20 20 PRO CD C 13 50.409 0.050 . 1 . . . . . . . . 4109 3 169 . 1 1 20 20 PRO HD2 H 1 4.199 0.005 . 2 . . . . . . . . 4109 3 170 . 1 1 20 20 PRO HD3 H 1 3.197 0.005 . 2 . . . . . . . . 4109 3 171 . 1 1 21 21 ASN N N 15 117.703 0.050 . 1 . . . . . . . . 4109 3 172 . 1 1 21 21 ASN H H 1 8.847 0.005 . 1 . . . . . . . . 4109 3 173 . 1 1 21 21 ASN CA C 13 54.230 0.050 . 1 . . . . . . . . 4109 3 174 . 1 1 21 21 ASN HA H 1 4.251 0.005 . 1 . . . . . . . . 4109 3 175 . 1 1 21 21 ASN CB C 13 37.951 0.050 . 1 . . . . . . . . 4109 3 176 . 1 1 21 21 ASN HB2 H 1 2.953 0.005 . 2 . . . . . . . . 4109 3 177 . 1 1 21 21 ASN HB3 H 1 2.675 0.005 . 2 . . . . . . . . 4109 3 178 . 1 1 22 22 PHE N N 15 118.871 0.050 . 1 . . . . . . . . 4109 3 179 . 1 1 22 22 PHE H H 1 7.558 0.005 . 1 . . . . . . . . 4109 3 180 . 1 1 22 22 PHE CA C 13 57.567 0.050 . 1 . . . . . . . . 4109 3 181 . 1 1 22 22 PHE HA H 1 4.733 0.005 . 1 . . . . . . . . 4109 3 182 . 1 1 23 23 GLN N N 15 127.157 0.050 . 1 . . . . . . . . 4109 3 183 . 1 1 23 23 GLN H H 1 7.010 0.005 . 1 . . . . . . . . 4109 3 184 . 1 1 23 23 GLN CA C 13 53.633 0.050 . 1 . . . . . . . . 4109 3 185 . 1 1 23 23 GLN HA H 1 4.189 0.005 . 1 . . . . . . . . 4109 3 186 . 1 1 23 23 GLN CB C 13 31.197 0.050 . 1 . . . . . . . . 4109 3 187 . 1 1 23 23 GLN HB2 H 1 1.681 0.005 . 2 . . . . . . . . 4109 3 188 . 1 1 23 23 GLN HB3 H 1 1.600 0.005 . 2 . . . . . . . . 4109 3 189 . 1 1 23 23 GLN CG C 13 33.379 0.050 . 1 . . . . . . . . 4109 3 190 . 1 1 23 23 GLN CD C 13 180.645 0.050 . 1 . . . . . . . . 4109 3 191 . 1 1 23 23 GLN HG2 H 1 2.081 0.005 . 1 . . . . . . . . 4109 3 192 . 1 1 24 24 MET N N 15 124.495 0.050 . 1 . . . . . . . . 4109 3 193 . 1 1 24 24 MET H H 1 8.414 0.005 . 1 . . . . . . . . 4109 3 194 . 1 1 24 24 MET CA C 13 55.576 0.050 . 1 . . . . . . . . 4109 3 195 . 1 1 24 24 MET HA H 1 4.054 0.005 . 1 . . . . . . . . 4109 3 196 . 1 1 24 24 MET CG C 13 31.805 0.050 . 1 . . . . . . . . 4109 3 197 . 1 1 24 24 MET HG2 H 1 2.734 0.005 . 2 . . . . . . . . 4109 3 198 . 1 1 24 24 MET HG3 H 1 2.338 0.005 . 2 . . . . . . . . 4109 3 199 . 1 1 25 25 THR N N 15 117.506 0.050 . 1 . . . . . . . . 4109 3 200 . 1 1 25 25 THR H H 1 6.819 0.005 . 1 . . . . . . . . 4109 3 201 . 1 1 25 25 THR CA C 13 60.035 0.050 . 1 . . . . . . . . 4109 3 202 . 1 1 25 25 THR HA H 1 4.654 0.005 . 1 . . . . . . . . 4109 3 203 . 1 1 25 25 THR CB C 13 72.316 0.050 . 1 . . . . . . . . 4109 3 204 . 1 1 25 25 THR HB H 1 4.473 0.005 . 1 . . . . . . . . 4109 3 205 . 1 1 25 25 THR CG2 C 13 21.668 0.050 . 1 . . . . . . . . 4109 3 206 . 1 1 25 25 THR HG21 H 1 1.097 0.005 . 1 . . . . . . . . 4109 3 207 . 1 1 25 25 THR HG22 H 1 1.097 0.005 . 1 . . . . . . . . 4109 3 208 . 1 1 25 25 THR HG23 H 1 1.097 0.005 . 1 . . . . . . . . 4109 3 209 . 1 1 26 26 ASP N N 15 119.569 0.050 . 1 . . . . . . . . 4109 3 210 . 1 1 26 26 ASP H H 1 8.684 0.005 . 1 . . . . . . . . 4109 3 211 . 1 1 26 26 ASP CA C 13 56.420 0.050 . 1 . . . . . . . . 4109 3 212 . 1 1 26 26 ASP HA H 1 4.476 0.005 . 1 . . . . . . . . 4109 3 213 . 1 1 26 26 ASP CB C 13 40.633 0.050 . 1 . . . . . . . . 4109 3 214 . 1 1 26 26 ASP HB2 H 1 2.741 0.005 . 2 . . . . . . . . 4109 3 215 . 1 1 26 26 ASP HB3 H 1 2.624 0.005 . 2 . . . . . . . . 4109 3 216 . 1 1 27 27 ASP N N 15 116.577 0.050 . 1 . . . . . . . . 4109 3 217 . 1 1 27 27 ASP H H 1 8.144 0.005 . 1 . . . . . . . . 4109 3 218 . 1 1 27 27 ASP CA C 13 54.470 0.050 . 1 . . . . . . . . 4109 3 219 . 1 1 27 27 ASP HA H 1 4.682 0.005 . 1 . . . . . . . . 4109 3 220 . 1 1 27 27 ASP CB C 13 40.989 0.050 . 1 . . . . . . . . 4109 3 221 . 1 1 27 27 ASP HB2 H 1 2.675 0.005 . 2 . . . . . . . . 4109 3 222 . 1 1 27 27 ASP HB3 H 1 2.549 0.005 . 2 . . . . . . . . 4109 3 223 . 1 1 28 28 ILE N N 15 120.454 0.050 . 1 . . . . . . . . 4109 3 224 . 1 1 28 28 ILE H H 1 7.474 0.005 . 1 . . . . . . . . 4109 3 225 . 1 1 28 28 ILE CA C 13 59.408 0.050 . 1 . . . . . . . . 4109 3 226 . 1 1 28 28 ILE HA H 1 4.109 0.005 . 1 . . . . . . . . 4109 3 227 . 1 1 28 28 ILE CB C 13 35.640 0.050 . 1 . . . . . . . . 4109 3 228 . 1 1 28 28 ILE HB H 1 2.618 0.005 . 1 . . . . . . . . 4109 3 229 . 1 1 28 28 ILE CG1 C 13 27.171 0.050 . 1 . . . . . . . . 4109 3 230 . 1 1 28 28 ILE HG12 H 1 2.007 0.005 . 2 . . . . . . . . 4109 3 231 . 1 1 28 28 ILE HG13 H 1 1.632 0.005 . 2 . . . . . . . . 4109 3 232 . 1 1 28 28 ILE CG2 C 13 18.666 0.050 . 1 . . . . . . . . 4109 3 233 . 1 1 28 28 ILE HG21 H 1 0.954 0.005 . 1 . . . . . . . . 4109 3 234 . 1 1 28 28 ILE HG22 H 1 0.954 0.005 . 1 . . . . . . . . 4109 3 235 . 1 1 28 28 ILE HG23 H 1 0.954 0.005 . 1 . . . . . . . . 4109 3 236 . 1 1 28 28 ILE CD1 C 13 9.760 0.050 . 1 . . . . . . . . 4109 3 237 . 1 1 28 28 ILE HD11 H 1 0.813 0.005 . 1 . . . . . . . . 4109 3 238 . 1 1 28 28 ILE HD12 H 1 0.813 0.005 . 1 . . . . . . . . 4109 3 239 . 1 1 28 28 ILE HD13 H 1 0.813 0.005 . 1 . . . . . . . . 4109 3 240 . 1 1 29 29 ASP N N 15 128.700 0.050 . 1 . . . . . . . . 4109 3 241 . 1 1 29 29 ASP H H 1 8.874 0.005 . 1 . . . . . . . . 4109 3 242 . 1 1 29 29 ASP CA C 13 55.080 0.050 . 1 . . . . . . . . 4109 3 243 . 1 1 29 29 ASP HA H 1 4.984 0.005 . 1 . . . . . . . . 4109 3 244 . 1 1 29 29 ASP CB C 13 45.899 0.050 . 1 . . . . . . . . 4109 3 245 . 1 1 29 29 ASP HB2 H 1 2.358 0.005 . 2 . . . . . . . . 4109 3 246 . 1 1 29 29 ASP HB3 H 1 2.237 0.005 . 2 . . . . . . . . 4109 3 247 . 1 1 30 30 GLU N N 15 116.641 0.050 . 1 . . . . . . . . 4109 3 248 . 1 1 30 30 GLU H H 1 7.700 0.005 . 1 . . . . . . . . 4109 3 249 . 1 1 30 30 GLU CA C 13 54.698 0.050 . 1 . . . . . . . . 4109 3 250 . 1 1 30 30 GLU HA H 1 5.622 0.005 . 1 . . . . . . . . 4109 3 251 . 1 1 30 30 GLU CB C 13 35.135 0.050 . 1 . . . . . . . . 4109 3 252 . 1 1 30 30 GLU HB2 H 1 2.006 0.005 . 2 . . . . . . . . 4109 3 253 . 1 1 30 30 GLU HB3 H 1 1.933 0.005 . 2 . . . . . . . . 4109 3 254 . 1 1 30 30 GLU CG C 13 36.156 0.050 . 1 . . . . . . . . 4109 3 255 . 1 1 30 30 GLU HG2 H 1 2.342 0.005 . 2 . . . . . . . . 4109 3 256 . 1 1 30 30 GLU HG3 H 1 2.038 0.005 . 2 . . . . . . . . 4109 3 257 . 1 1 30 30 GLU CD C 13 181.613 0.050 . 1 . . . . . . . . 4109 3 258 . 1 1 31 31 VAL N N 15 125.181 0.050 . 1 . . . . . . . . 4109 3 259 . 1 1 31 31 VAL H H 1 9.011 0.005 . 1 . . . . . . . . 4109 3 260 . 1 1 31 31 VAL CA C 13 62.097 0.050 . 1 . . . . . . . . 4109 3 261 . 1 1 31 31 VAL HA H 1 4.687 0.005 . 1 . . . . . . . . 4109 3 262 . 1 1 31 31 VAL CB C 13 35.540 0.050 . 1 . . . . . . . . 4109 3 263 . 1 1 31 31 VAL HB H 1 2.109 0.005 . 1 . . . . . . . . 4109 3 264 . 1 1 31 31 VAL CG1 C 13 21.114 0.050 . 2 . . . . . . . . 4109 3 265 . 1 1 31 31 VAL HG11 H 1 0.925 0.005 . 2 . . . . . . . . 4109 3 266 . 1 1 31 31 VAL HG12 H 1 0.925 0.005 . 2 . . . . . . . . 4109 3 267 . 1 1 31 31 VAL HG13 H 1 0.925 0.005 . 2 . . . . . . . . 4109 3 268 . 1 1 31 31 VAL CG2 C 13 21.768 0.050 . 2 . . . . . . . . 4109 3 269 . 1 1 31 31 VAL HG21 H 1 0.797 0.005 . 2 . . . . . . . . 4109 3 270 . 1 1 31 31 VAL HG22 H 1 0.797 0.005 . 2 . . . . . . . . 4109 3 271 . 1 1 31 31 VAL HG23 H 1 0.797 0.005 . 2 . . . . . . . . 4109 3 272 . 1 1 32 32 ARG N N 15 127.606 0.050 . 1 . . . . . . . . 4109 3 273 . 1 1 32 32 ARG H H 1 9.206 0.005 . 1 . . . . . . . . 4109 3 274 . 1 1 32 32 ARG CA C 13 55.240 0.050 . 1 . . . . . . . . 4109 3 275 . 1 1 32 32 ARG HA H 1 5.156 0.005 . 1 . . . . . . . . 4109 3 276 . 1 1 32 32 ARG CB C 13 33.942 0.050 . 1 . . . . . . . . 4109 3 277 . 1 1 32 32 ARG HB2 H 1 1.901 0.005 . 2 . . . . . . . . 4109 3 278 . 1 1 32 32 ARG HB3 H 1 1.827 0.005 . 2 . . . . . . . . 4109 3 279 . 1 1 32 32 ARG CG C 13 28.297 0.050 . 1 . . . . . . . . 4109 3 280 . 1 1 32 32 ARG HG2 H 1 1.697 0.005 . 2 . . . . . . . . 4109 3 281 . 1 1 32 32 ARG HG3 H 1 1.502 0.005 . 2 . . . . . . . . 4109 3 282 . 1 1 32 32 ARG CD C 13 43.856 0.050 . 1 . . . . . . . . 4109 3 283 . 1 1 32 32 ARG HD2 H 1 3.214 0.005 . 2 . . . . . . . . 4109 3 284 . 1 1 32 32 ARG HD3 H 1 3.070 0.005 . 2 . . . . . . . . 4109 3 285 . 1 1 33 33 TRP N N 15 125.302 0.050 . 1 . . . . . . . . 4109 3 286 . 1 1 33 33 TRP H H 1 9.303 0.005 . 1 . . . . . . . . 4109 3 287 . 1 1 33 33 TRP CA C 13 56.461 0.050 . 1 . . . . . . . . 4109 3 288 . 1 1 33 33 TRP HA H 1 5.440 0.005 . 1 . . . . . . . . 4109 3 289 . 1 1 33 33 TRP CB C 13 32.323 0.050 . 1 . . . . . . . . 4109 3 290 . 1 1 33 33 TRP HB2 H 1 3.177 0.005 . 2 . . . . . . . . 4109 3 291 . 1 1 33 33 TRP HB3 H 1 2.952 0.005 . 2 . . . . . . . . 4109 3 292 . 1 1 34 34 GLU N N 15 123.846 0.050 . 1 . . . . . . . . 4109 3 293 . 1 1 34 34 GLU H H 1 9.555 0.005 . 1 . . . . . . . . 4109 3 294 . 1 1 34 34 GLU CA C 13 54.470 0.050 . 1 . . . . . . . . 4109 3 295 . 1 1 34 34 GLU HA H 1 5.182 0.005 . 1 . . . . . . . . 4109 3 296 . 1 1 34 34 GLU CB C 13 35.495 0.050 . 1 . . . . . . . . 4109 3 297 . 1 1 34 34 GLU CG C 13 36.836 0.050 . 1 . . . . . . . . 4109 3 298 . 1 1 34 34 GLU CD C 13 183.270 0.050 . 1 . . . . . . . . 4109 3 299 . 1 1 34 34 GLU HB2 H 1 1.884 0.005 . 1 . . . . . . . . 4109 3 300 . 1 1 34 34 GLU HB3 H 1 1.884 0.005 . 1 . . . . . . . . 4109 3 301 . 1 1 34 34 GLU HG2 H 1 2.052 0.005 . 1 . . . . . . . . 4109 3 302 . 1 1 34 34 GLU HG3 H 1 2.052 0.005 . 1 . . . . . . . . 4109 3 303 . 1 1 35 35 ARG N N 15 123.812 0.050 . 1 . . . . . . . . 4109 3 304 . 1 1 35 35 ARG H H 1 8.757 0.005 . 1 . . . . . . . . 4109 3 305 . 1 1 35 35 ARG CA C 13 54.999 0.050 . 1 . . . . . . . . 4109 3 306 . 1 1 35 35 ARG HA H 1 4.453 0.005 . 1 . . . . . . . . 4109 3 307 . 1 1 35 35 ARG CB C 13 31.249 0.050 . 1 . . . . . . . . 4109 3 308 . 1 1 35 35 ARG HB2 H 1 1.486 0.005 . 2 . . . . . . . . 4109 3 309 . 1 1 35 35 ARG HB3 H 1 1.005 0.005 . 2 . . . . . . . . 4109 3 310 . 1 1 35 35 ARG CG C 13 26.596 0.050 . 1 . . . . . . . . 4109 3 311 . 1 1 35 35 ARG HG2 H 1 0.997 0.005 . 2 . . . . . . . . 4109 3 312 . 1 1 35 35 ARG HG3 H 1 0.892 0.005 . 2 . . . . . . . . 4109 3 313 . 1 1 35 35 ARG CD C 13 43.363 0.050 . 1 . . . . . . . . 4109 3 314 . 1 1 35 35 ARG HD2 H 1 2.830 0.005 . 2 . . . . . . . . 4109 3 315 . 1 1 35 35 ARG HD3 H 1 2.691 0.005 . 2 . . . . . . . . 4109 3 316 . 1 1 36 36 GLY N N 15 119.992 0.050 . 1 . . . . . . . . 4109 3 317 . 1 1 36 36 GLY H H 1 8.937 0.005 . 1 . . . . . . . . 4109 3 318 . 1 1 36 36 GLY CA C 13 47.404 0.050 . 1 . . . . . . . . 4109 3 319 . 1 1 36 36 GLY HA2 H 1 3.976 0.005 . 1 . . . . . . . . 4109 3 320 . 1 1 36 36 GLY HA3 H 1 3.594 0.005 . 1 . . . . . . . . 4109 3 321 . 1 1 37 37 SER CA C 13 58.249 0.050 . 1 . . . . . . . . 4109 3 322 . 1 1 37 37 SER HA H 1 4.469 0.005 . 1 . . . . . . . . 4109 3 323 . 1 1 37 37 SER CB C 13 63.458 0.050 . 1 . . . . . . . . 4109 3 324 . 1 1 37 37 SER HB2 H 1 4.001 0.005 . 2 . . . . . . . . 4109 3 325 . 1 1 37 37 SER HB3 H 1 3.839 0.005 . 2 . . . . . . . . 4109 3 326 . 1 1 38 38 THR N N 15 120.642 0.050 . 1 . . . . . . . . 4109 3 327 . 1 1 38 38 THR H H 1 8.174 0.005 . 1 . . . . . . . . 4109 3 328 . 1 1 38 38 THR CB C 13 70.244 0.050 . 1 . . . . . . . . 4109 3 329 . 1 1 38 38 THR HB H 1 4.228 0.005 . 1 . . . . . . . . 4109 3 330 . 1 1 38 38 THR CG2 C 13 21.449 0.050 . 1 . . . . . . . . 4109 3 331 . 1 1 38 38 THR HG21 H 1 1.127 0.005 . 1 . . . . . . . . 4109 3 332 . 1 1 38 38 THR HG22 H 1 1.127 0.005 . 1 . . . . . . . . 4109 3 333 . 1 1 38 38 THR HG23 H 1 1.127 0.005 . 1 . . . . . . . . 4109 3 334 . 1 1 39 39 LEU N N 15 131.023 0.050 . 1 . . . . . . . . 4109 3 335 . 1 1 39 39 LEU H H 1 8.706 0.005 . 1 . . . . . . . . 4109 3 336 . 1 1 39 39 LEU CA C 13 56.210 0.050 . 1 . . . . . . . . 4109 3 337 . 1 1 39 39 LEU HA H 1 4.290 0.005 . 1 . . . . . . . . 4109 3 338 . 1 1 39 39 LEU CB C 13 42.255 0.050 . 1 . . . . . . . . 4109 3 339 . 1 1 39 39 LEU HB2 H 1 1.762 0.005 . 2 . . . . . . . . 4109 3 340 . 1 1 39 39 LEU HB3 H 1 1.624 0.005 . 2 . . . . . . . . 4109 3 341 . 1 1 39 39 LEU CG C 13 27.038 0.050 . 1 . . . . . . . . 4109 3 342 . 1 1 39 39 LEU HG H 1 1.337 0.005 . 1 . . . . . . . . 4109 3 343 . 1 1 39 39 LEU CD1 C 13 23.701 0.050 . 2 . . . . . . . . 4109 3 344 . 1 1 39 39 LEU HD11 H 1 0.919 0.005 . 2 . . . . . . . . 4109 3 345 . 1 1 39 39 LEU HD12 H 1 0.919 0.005 . 2 . . . . . . . . 4109 3 346 . 1 1 39 39 LEU HD13 H 1 0.919 0.005 . 2 . . . . . . . . 4109 3 347 . 1 1 39 39 LEU CD2 C 13 26.245 0.050 . 2 . . . . . . . . 4109 3 348 . 1 1 39 39 LEU HD21 H 1 0.507 0.005 . 2 . . . . . . . . 4109 3 349 . 1 1 39 39 LEU HD22 H 1 0.507 0.005 . 2 . . . . . . . . 4109 3 350 . 1 1 39 39 LEU HD23 H 1 0.507 0.005 . 2 . . . . . . . . 4109 3 351 . 1 1 40 40 VAL N N 15 125.287 0.050 . 1 . . . . . . . . 4109 3 352 . 1 1 40 40 VAL H H 1 8.945 0.005 . 1 . . . . . . . . 4109 3 353 . 1 1 40 40 VAL CA C 13 62.647 0.050 . 1 . . . . . . . . 4109 3 354 . 1 1 40 40 VAL HA H 1 4.199 0.005 . 1 . . . . . . . . 4109 3 355 . 1 1 40 40 VAL CB C 13 32.616 0.050 . 1 . . . . . . . . 4109 3 356 . 1 1 40 40 VAL HB H 1 1.359 0.005 . 1 . . . . . . . . 4109 3 357 . 1 1 40 40 VAL CG1 C 13 20.684 0.050 . 2 . . . . . . . . 4109 3 358 . 1 1 40 40 VAL HG11 H 1 0.638 0.005 . 2 . . . . . . . . 4109 3 359 . 1 1 40 40 VAL HG12 H 1 0.638 0.005 . 2 . . . . . . . . 4109 3 360 . 1 1 40 40 VAL HG13 H 1 0.638 0.005 . 2 . . . . . . . . 4109 3 361 . 1 1 40 40 VAL CG2 C 13 21.689 0.050 . 2 . . . . . . . . 4109 3 362 . 1 1 40 40 VAL HG21 H 1 0.353 0.005 . 2 . . . . . . . . 4109 3 363 . 1 1 40 40 VAL HG22 H 1 0.353 0.005 . 2 . . . . . . . . 4109 3 364 . 1 1 40 40 VAL HG23 H 1 0.353 0.005 . 2 . . . . . . . . 4109 3 365 . 1 1 41 41 ALA N N 15 119.576 0.050 . 1 . . . . . . . . 4109 3 366 . 1 1 41 41 ALA H H 1 7.892 0.005 . 1 . . . . . . . . 4109 3 367 . 1 1 41 41 ALA CA C 13 51.891 0.050 . 1 . . . . . . . . 4109 3 368 . 1 1 41 41 ALA HA H 1 5.280 0.005 . 1 . . . . . . . . 4109 3 369 . 1 1 41 41 ALA CB C 13 23.719 0.050 . 1 . . . . . . . . 4109 3 370 . 1 1 41 41 ALA HB1 H 1 1.328 0.005 . 1 . . . . . . . . 4109 3 371 . 1 1 41 41 ALA HB2 H 1 1.328 0.005 . 1 . . . . . . . . 4109 3 372 . 1 1 41 41 ALA HB3 H 1 1.328 0.005 . 1 . . . . . . . . 4109 3 373 . 1 1 42 42 GLU N N 15 122.030 0.050 . 1 . . . . . . . . 4109 3 374 . 1 1 42 42 GLU H H 1 9.434 0.005 . 1 . . . . . . . . 4109 3 375 . 1 1 42 42 GLU CA C 13 55.672 0.050 . 1 . . . . . . . . 4109 3 376 . 1 1 42 42 GLU HA H 1 5.512 0.005 . 1 . . . . . . . . 4109 3 377 . 1 1 42 42 GLU CB C 13 35.338 0.050 . 1 . . . . . . . . 4109 3 378 . 1 1 42 42 GLU HB2 H 1 2.283 0.005 . 2 . . . . . . . . 4109 3 379 . 1 1 42 42 GLU HB3 H 1 2.157 0.005 . 2 . . . . . . . . 4109 3 380 . 1 1 42 42 GLU CG C 13 36.152 0.050 . 1 . . . . . . . . 4109 3 381 . 1 1 42 42 GLU HG2 H 1 2.305 0.005 . 2 . . . . . . . . 4109 3 382 . 1 1 42 42 GLU HG3 H 1 2.077 0.005 . 2 . . . . . . . . 4109 3 383 . 1 1 42 42 GLU CD C 13 181.712 0.050 . 1 . . . . . . . . 4109 3 384 . 1 1 43 43 PHE N N 15 128.350 0.050 . 1 . . . . . . . . 4109 3 385 . 1 1 43 43 PHE H H 1 9.469 0.005 . 1 . . . . . . . . 4109 3 386 . 1 1 44 44 LYS N N 15 129.396 0.050 . 1 . . . . . . . . 4109 3 387 . 1 1 44 44 LYS H H 1 8.297 0.005 . 1 . . . . . . . . 4109 3 388 . 1 1 44 44 LYS CB C 13 35.547 0.050 . 1 . . . . . . . . 4109 3 389 . 1 1 44 44 LYS HB2 H 1 1.632 0.005 . 2 . . . . . . . . 4109 3 390 . 1 1 44 44 LYS HB3 H 1 1.420 0.005 . 2 . . . . . . . . 4109 3 391 . 1 1 44 44 LYS CG C 13 25.241 0.050 . 1 . . . . . . . . 4109 3 392 . 1 1 44 44 LYS HG2 H 1 1.258 0.005 . 1 . . . . . . . . 4109 3 393 . 1 1 44 44 LYS HG3 H 1 1.258 0.005 . 1 . . . . . . . . 4109 3 394 . 1 1 45 45 ARG N N 15 125.463 0.050 . 1 . . . . . . . . 4109 3 395 . 1 1 45 45 ARG H H 1 8.197 0.005 . 1 . . . . . . . . 4109 3 396 . 1 1 45 45 ARG CA C 13 58.654 0.050 . 1 . . . . . . . . 4109 3 397 . 1 1 45 45 ARG HA H 1 3.677 0.005 . 1 . . . . . . . . 4109 3 398 . 1 1 45 45 ARG CG C 13 27.624 0.050 . 1 . . . . . . . . 4109 3 399 . 1 1 45 45 ARG HG2 H 1 1.884 0.005 . 2 . . . . . . . . 4109 3 400 . 1 1 45 45 ARG HG3 H 1 1.730 0.005 . 2 . . . . . . . . 4109 3 401 . 1 1 45 45 ARG CD C 13 43.058 0.050 . 1 . . . . . . . . 4109 3 402 . 1 1 45 45 ARG HD2 H 1 3.365 0.005 . 2 . . . . . . . . 4109 3 403 . 1 1 45 45 ARG HD3 H 1 3.328 0.005 . 2 . . . . . . . . 4109 3 404 . 1 1 46 46 LYS N N 15 116.506 0.050 . 1 . . . . . . . . 4109 3 405 . 1 1 46 46 LYS H H 1 8.664 0.005 . 1 . . . . . . . . 4109 3 406 . 1 1 46 46 LYS CA C 13 58.112 0.050 . 1 . . . . . . . . 4109 3 407 . 1 1 46 46 LYS HA H 1 3.928 0.005 . 1 . . . . . . . . 4109 3 408 . 1 1 46 46 LYS CB C 13 30.058 0.050 . 1 . . . . . . . . 4109 3 409 . 1 1 46 46 LYS HB2 H 1 2.047 0.005 . 2 . . . . . . . . 4109 3 410 . 1 1 46 46 LYS HB3 H 1 1.871 0.005 . 2 . . . . . . . . 4109 3 411 . 1 1 46 46 LYS CG C 13 25.811 0.050 . 1 . . . . . . . . 4109 3 412 . 1 1 46 46 LYS CD C 13 29.129 0.050 . 1 . . . . . . . . 4109 3 413 . 1 1 46 46 LYS CE C 13 42.180 0.050 . 1 . . . . . . . . 4109 3 414 . 1 1 46 46 LYS HG2 H 1 1.396 0.005 . 1 . . . . . . . . 4109 3 415 . 1 1 46 46 LYS HG3 H 1 1.396 0.005 . 1 . . . . . . . . 4109 3 416 . 1 1 46 46 LYS HD2 H 1 1.673 0.005 . 1 . . . . . . . . 4109 3 417 . 1 1 46 46 LYS HD3 H 1 1.673 0.005 . 1 . . . . . . . . 4109 3 418 . 1 1 46 46 LYS HE2 H 1 2.966 0.005 . 1 . . . . . . . . 4109 3 419 . 1 1 46 46 LYS HE3 H 1 2.966 0.005 . 1 . . . . . . . . 4109 3 420 . 1 1 47 47 MET N N 15 118.977 0.050 . 1 . . . . . . . . 4109 3 421 . 1 1 47 47 MET H H 1 7.863 0.005 . 1 . . . . . . . . 4109 3 422 . 1 1 47 47 MET CA C 13 53.775 0.050 . 1 . . . . . . . . 4109 3 423 . 1 1 47 47 MET HA H 1 4.782 0.005 . 1 . . . . . . . . 4109 3 424 . 1 1 47 47 MET CB C 13 35.133 0.050 . 1 . . . . . . . . 4109 3 425 . 1 1 47 47 MET HB2 H 1 1.958 0.005 . 2 . . . . . . . . 4109 3 426 . 1 1 47 47 MET HB3 H 1 1.836 0.005 . 2 . . . . . . . . 4109 3 427 . 1 1 47 47 MET CG C 13 32.240 0.050 . 1 . . . . . . . . 4109 3 428 . 1 1 47 47 MET HG2 H 1 2.449 0.005 . 2 . . . . . . . . 4109 3 429 . 1 1 47 47 MET HG3 H 1 2.405 0.005 . 2 . . . . . . . . 4109 3 430 . 1 1 48 48 LYS N N 15 124.476 0.050 . 1 . . . . . . . . 4109 3 431 . 1 1 48 48 LYS H H 1 8.378 0.005 . 1 . . . . . . . . 4109 3 432 . 1 1 48 48 LYS CB C 13 32.026 0.050 . 1 . . . . . . . . 4109 3 433 . 1 1 48 48 LYS CG C 13 27.724 0.050 . 1 . . . . . . . . 4109 3 434 . 1 1 48 48 LYS CD C 13 29.384 0.050 . 1 . . . . . . . . 4109 3 435 . 1 1 48 48 LYS CE C 13 42.243 0.050 . 1 . . . . . . . . 4109 3 436 . 1 1 48 48 LYS HB2 H 1 1.811 0.005 . 1 . . . . . . . . 4109 3 437 . 1 1 48 48 LYS HB3 H 1 1.811 0.005 . 1 . . . . . . . . 4109 3 438 . 1 1 48 48 LYS HG2 H 1 1.551 0.005 . 1 . . . . . . . . 4109 3 439 . 1 1 48 48 LYS HG3 H 1 1.551 0.005 . 1 . . . . . . . . 4109 3 440 . 1 1 48 48 LYS HD2 H 1 1.730 0.005 . 1 . . . . . . . . 4109 3 441 . 1 1 48 48 LYS HD3 H 1 1.730 0.005 . 1 . . . . . . . . 4109 3 442 . 1 1 48 48 LYS HE2 H 1 3.030 0.005 . 1 . . . . . . . . 4109 3 443 . 1 1 48 48 LYS HE3 H 1 3.030 0.005 . 1 . . . . . . . . 4109 3 444 . 1 1 49 49 PRO CA C 13 63.462 0.050 . 1 . . . . . . . . 4109 3 445 . 1 1 49 49 PRO HA H 1 4.784 0.005 . 1 . . . . . . . . 4109 3 446 . 1 1 49 49 PRO CB C 13 32.751 0.050 . 1 . . . . . . . . 4109 3 447 . 1 1 49 49 PRO HB2 H 1 2.348 0.005 . 2 . . . . . . . . 4109 3 448 . 1 1 49 49 PRO HB3 H 1 1.827 0.005 . 2 . . . . . . . . 4109 3 449 . 1 1 49 49 PRO CG C 13 27.361 0.050 . 1 . . . . . . . . 4109 3 450 . 1 1 49 49 PRO HG2 H 1 2.145 0.005 . 2 . . . . . . . . 4109 3 451 . 1 1 49 49 PRO HG3 H 1 2.062 0.005 . 2 . . . . . . . . 4109 3 452 . 1 1 49 49 PRO CD C 13 50.772 0.050 . 1 . . . . . . . . 4109 3 453 . 1 1 49 49 PRO HD2 H 1 3.927 0.005 . 2 . . . . . . . . 4109 3 454 . 1 1 49 49 PRO HD3 H 1 3.704 0.005 . 2 . . . . . . . . 4109 3 455 . 1 1 50 50 PHE N N 15 123.071 0.050 . 1 . . . . . . . . 4109 3 456 . 1 1 50 50 PHE H H 1 8.713 0.005 . 1 . . . . . . . . 4109 3 457 . 1 1 50 50 PHE CA C 13 57.546 0.050 . 1 . . . . . . . . 4109 3 458 . 1 1 50 50 PHE HA H 1 4.719 0.005 . 1 . . . . . . . . 4109 3 459 . 1 1 51 51 LEU N N 15 127.890 0.050 . 1 . . . . . . . . 4109 3 460 . 1 1 51 51 LEU H H 1 7.632 0.005 . 1 . . . . . . . . 4109 3 461 . 1 1 51 51 LEU CA C 13 52.992 0.050 . 1 . . . . . . . . 4109 3 462 . 1 1 51 51 LEU HA H 1 4.572 0.005 . 1 . . . . . . . . 4109 3 463 . 1 1 51 51 LEU CB C 13 44.713 0.050 . 1 . . . . . . . . 4109 3 464 . 1 1 51 51 LEU CG C 13 27.163 0.050 . 1 . . . . . . . . 4109 3 465 . 1 1 51 51 LEU HG H 1 1.550 0.005 . 1 . . . . . . . . 4109 3 466 . 1 1 51 51 LEU CD1 C 13 24.965 0.050 . 2 . . . . . . . . 4109 3 467 . 1 1 51 51 LEU HD11 H 1 1.012 0.005 . 2 . . . . . . . . 4109 3 468 . 1 1 51 51 LEU HD12 H 1 1.012 0.005 . 2 . . . . . . . . 4109 3 469 . 1 1 51 51 LEU HD13 H 1 1.012 0.005 . 2 . . . . . . . . 4109 3 470 . 1 1 51 51 LEU CD2 C 13 23.518 0.050 . 2 . . . . . . . . 4109 3 471 . 1 1 51 51 LEU HD21 H 1 0.992 0.005 . 2 . . . . . . . . 4109 3 472 . 1 1 51 51 LEU HD22 H 1 0.992 0.005 . 2 . . . . . . . . 4109 3 473 . 1 1 51 51 LEU HD23 H 1 0.992 0.005 . 2 . . . . . . . . 4109 3 474 . 1 1 51 51 LEU HB2 H 1 1.486 0.005 . 1 . . . . . . . . 4109 3 475 . 1 1 51 51 LEU HB3 H 1 1.486 0.005 . 1 . . . . . . . . 4109 3 476 . 1 1 52 52 LYS CA C 13 58.637 0.050 . 1 . . . . . . . . 4109 3 477 . 1 1 52 52 LYS HA H 1 3.786 0.005 . 1 . . . . . . . . 4109 3 478 . 1 1 52 52 LYS CB C 13 33.476 0.050 . 1 . . . . . . . . 4109 3 479 . 1 1 52 52 LYS HB2 H 1 2.202 0.005 . 2 . . . . . . . . 4109 3 480 . 1 1 52 52 LYS HB3 H 1 1.795 0.005 . 2 . . . . . . . . 4109 3 481 . 1 1 52 52 LYS CG C 13 24.843 0.050 . 1 . . . . . . . . 4109 3 482 . 1 1 52 52 LYS CD C 13 29.436 0.050 . 1 . . . . . . . . 4109 3 483 . 1 1 52 52 LYS CE C 13 42.357 0.050 . 1 . . . . . . . . 4109 3 484 . 1 1 52 52 LYS HG2 H 1 1.615 0.005 . 1 . . . . . . . . 4109 3 485 . 1 1 52 52 LYS HG3 H 1 1.615 0.005 . 1 . . . . . . . . 4109 3 486 . 1 1 52 52 LYS HD2 H 1 1.827 0.005 . 1 . . . . . . . . 4109 3 487 . 1 1 52 52 LYS HD3 H 1 1.827 0.005 . 1 . . . . . . . . 4109 3 488 . 1 1 52 52 LYS HE2 H 1 3.083 0.005 . 1 . . . . . . . . 4109 3 489 . 1 1 52 52 LYS HE3 H 1 3.083 0.005 . 1 . . . . . . . . 4109 3 490 . 1 1 53 53 SER N N 15 109.983 0.050 . 1 . . . . . . . . 4109 3 491 . 1 1 53 53 SER H H 1 7.685 0.005 . 1 . . . . . . . . 4109 3 492 . 1 1 53 53 SER CA C 13 56.660 0.050 . 1 . . . . . . . . 4109 3 493 . 1 1 53 53 SER HA H 1 4.596 0.005 . 1 . . . . . . . . 4109 3 494 . 1 1 53 53 SER CB C 13 65.523 0.050 . 1 . . . . . . . . 4109 3 495 . 1 1 53 53 SER HB2 H 1 4.105 0.005 . 2 . . . . . . . . 4109 3 496 . 1 1 53 53 SER HB3 H 1 3.952 0.005 . 2 . . . . . . . . 4109 3 497 . 1 1 54 54 GLY CA C 13 45.760 0.050 . 1 . . . . . . . . 4109 3 498 . 1 1 54 54 GLY HA2 H 1 4.269 0.005 . 1 . . . . . . . . 4109 3 499 . 1 1 54 54 GLY HA3 H 1 3.781 0.005 . 1 . . . . . . . . 4109 3 500 . 1 1 55 55 ALA N N 15 122.575 0.050 . 1 . . . . . . . . 4109 3 501 . 1 1 55 55 ALA H H 1 8.004 0.005 . 1 . . . . . . . . 4109 3 502 . 1 1 55 55 ALA CA C 13 53.087 0.050 . 1 . . . . . . . . 4109 3 503 . 1 1 55 55 ALA HA H 1 4.000 0.005 . 1 . . . . . . . . 4109 3 504 . 1 1 55 55 ALA CB C 13 19.014 0.050 . 1 . . . . . . . . 4109 3 505 . 1 1 55 55 ALA HB1 H 1 0.843 0.005 . 1 . . . . . . . . 4109 3 506 . 1 1 55 55 ALA HB2 H 1 0.843 0.005 . 1 . . . . . . . . 4109 3 507 . 1 1 55 55 ALA HB3 H 1 0.843 0.005 . 1 . . . . . . . . 4109 3 508 . 1 1 56 56 PHE N N 15 119.776 0.050 . 1 . . . . . . . . 4109 3 509 . 1 1 56 56 PHE H H 1 8.209 0.005 . 1 . . . . . . . . 4109 3 510 . 1 1 56 56 PHE CA C 13 55.689 0.050 . 1 . . . . . . . . 4109 3 511 . 1 1 56 56 PHE HA H 1 5.404 0.005 . 1 . . . . . . . . 4109 3 512 . 1 1 57 57 GLU N N 15 119.665 0.050 . 1 . . . . . . . . 4109 3 513 . 1 1 57 57 GLU H H 1 8.826 0.005 . 1 . . . . . . . . 4109 3 514 . 1 1 57 57 GLU CA C 13 55.758 0.050 . 1 . . . . . . . . 4109 3 515 . 1 1 57 57 GLU HA H 1 4.488 0.005 . 1 . . . . . . . . 4109 3 516 . 1 1 57 57 GLU CB C 13 34.578 0.050 . 1 . . . . . . . . 4109 3 517 . 1 1 57 57 GLU HB2 H 1 1.844 0.005 . 2 . . . . . . . . 4109 3 518 . 1 1 57 57 GLU HB3 H 1 1.730 0.005 . 2 . . . . . . . . 4109 3 519 . 1 1 57 57 GLU CG C 13 36.524 0.050 . 1 . . . . . . . . 4109 3 520 . 1 1 57 57 GLU HG2 H 1 2.073 0.005 . 2 . . . . . . . . 4109 3 521 . 1 1 57 57 GLU HG3 H 1 2.033 0.005 . 2 . . . . . . . . 4109 3 522 . 1 1 57 57 GLU CD C 13 182.825 0.050 . 1 . . . . . . . . 4109 3 523 . 1 1 58 58 ILE N N 15 123.955 0.050 . 1 . . . . . . . . 4109 3 524 . 1 1 58 58 ILE H H 1 8.522 0.005 . 1 . . . . . . . . 4109 3 525 . 1 1 58 58 ILE CA C 13 58.968 0.050 . 1 . . . . . . . . 4109 3 526 . 1 1 58 58 ILE HA H 1 4.976 0.005 . 1 . . . . . . . . 4109 3 527 . 1 1 58 58 ILE CB C 13 40.324 0.050 . 1 . . . . . . . . 4109 3 528 . 1 1 58 58 ILE HB H 1 1.553 0.005 . 1 . . . . . . . . 4109 3 529 . 1 1 58 58 ILE CG1 C 13 28.784 0.050 . 1 . . . . . . . . 4109 3 530 . 1 1 58 58 ILE HG12 H 1 1.624 0.005 . 2 . . . . . . . . 4109 3 531 . 1 1 58 58 ILE HG13 H 1 1.119 0.005 . 2 . . . . . . . . 4109 3 532 . 1 1 58 58 ILE CG2 C 13 16.759 0.050 . 1 . . . . . . . . 4109 3 533 . 1 1 58 58 ILE HG21 H 1 1.041 0.005 . 1 . . . . . . . . 4109 3 534 . 1 1 58 58 ILE HG22 H 1 1.041 0.005 . 1 . . . . . . . . 4109 3 535 . 1 1 58 58 ILE HG23 H 1 1.041 0.005 . 1 . . . . . . . . 4109 3 536 . 1 1 58 58 ILE CD1 C 13 14.945 0.050 . 1 . . . . . . . . 4109 3 537 . 1 1 58 58 ILE HD11 H 1 1.006 0.005 . 1 . . . . . . . . 4109 3 538 . 1 1 58 58 ILE HD12 H 1 1.006 0.005 . 1 . . . . . . . . 4109 3 539 . 1 1 58 58 ILE HD13 H 1 1.006 0.005 . 1 . . . . . . . . 4109 3 540 . 1 1 59 59 LEU N N 15 130.105 0.050 . 1 . . . . . . . . 4109 3 541 . 1 1 59 59 LEU H H 1 8.954 0.005 . 1 . . . . . . . . 4109 3 542 . 1 1 59 59 LEU CA C 13 54.411 0.050 . 1 . . . . . . . . 4109 3 543 . 1 1 59 59 LEU HA H 1 4.435 0.005 . 1 . . . . . . . . 4109 3 544 . 1 1 59 59 LEU CB C 13 41.840 0.050 . 1 . . . . . . . . 4109 3 545 . 1 1 59 59 LEU HB2 H 1 1.950 0.005 . 2 . . . . . . . . 4109 3 546 . 1 1 59 59 LEU HB3 H 1 1.681 0.005 . 2 . . . . . . . . 4109 3 547 . 1 1 59 59 LEU CG C 13 27.539 0.050 . 1 . . . . . . . . 4109 3 548 . 1 1 59 59 LEU HG H 1 1.512 0.005 . 1 . . . . . . . . 4109 3 549 . 1 1 59 59 LEU CD1 C 13 25.277 0.050 . 2 . . . . . . . . 4109 3 550 . 1 1 59 59 LEU HD11 H 1 0.787 0.005 . 2 . . . . . . . . 4109 3 551 . 1 1 59 59 LEU HD12 H 1 0.787 0.005 . 2 . . . . . . . . 4109 3 552 . 1 1 59 59 LEU HD13 H 1 0.787 0.005 . 2 . . . . . . . . 4109 3 553 . 1 1 59 59 LEU CD2 C 13 22.752 0.050 . 2 . . . . . . . . 4109 3 554 . 1 1 59 59 LEU HD21 H 1 0.719 0.005 . 2 . . . . . . . . 4109 3 555 . 1 1 59 59 LEU HD22 H 1 0.719 0.005 . 2 . . . . . . . . 4109 3 556 . 1 1 59 59 LEU HD23 H 1 0.719 0.005 . 2 . . . . . . . . 4109 3 557 . 1 1 60 60 ALA N N 15 123.084 0.050 . 1 . . . . . . . . 4109 3 558 . 1 1 60 60 ALA H H 1 8.432 0.005 . 1 . . . . . . . . 4109 3 559 . 1 1 60 60 ALA CA C 13 54.819 0.050 . 1 . . . . . . . . 4109 3 560 . 1 1 60 60 ALA HA H 1 3.966 0.005 . 1 . . . . . . . . 4109 3 561 . 1 1 60 60 ALA CB C 13 18.282 0.050 . 1 . . . . . . . . 4109 3 562 . 1 1 60 60 ALA HB1 H 1 1.397 0.005 . 1 . . . . . . . . 4109 3 563 . 1 1 60 60 ALA HB2 H 1 1.397 0.005 . 1 . . . . . . . . 4109 3 564 . 1 1 60 60 ALA HB3 H 1 1.397 0.005 . 1 . . . . . . . . 4109 3 565 . 1 1 61 61 ASN N N 15 112.858 0.050 . 1 . . . . . . . . 4109 3 566 . 1 1 61 61 ASN H H 1 7.581 0.005 . 1 . . . . . . . . 4109 3 567 . 1 1 61 61 ASN CA C 13 52.364 0.050 . 1 . . . . . . . . 4109 3 568 . 1 1 61 61 ASN HA H 1 4.445 0.005 . 1 . . . . . . . . 4109 3 569 . 1 1 61 61 ASN CB C 13 37.768 0.050 . 1 . . . . . . . . 4109 3 570 . 1 1 61 61 ASN HB2 H 1 3.144 0.005 . 2 . . . . . . . . 4109 3 571 . 1 1 61 61 ASN HB3 H 1 2.850 0.005 . 2 . . . . . . . . 4109 3 572 . 1 1 62 62 GLY N N 15 108.971 0.050 . 1 . . . . . . . . 4109 3 573 . 1 1 62 62 GLY H H 1 8.175 0.005 . 1 . . . . . . . . 4109 3 574 . 1 1 62 62 GLY CA C 13 44.797 0.050 . 1 . . . . . . . . 4109 3 575 . 1 1 62 62 GLY HA2 H 1 4.261 0.005 . 1 . . . . . . . . 4109 3 576 . 1 1 62 62 GLY HA3 H 1 3.181 0.005 . 1 . . . . . . . . 4109 3 577 . 1 1 63 63 ASP N N 15 120.481 0.050 . 1 . . . . . . . . 4109 3 578 . 1 1 63 63 ASP H H 1 7.737 0.005 . 1 . . . . . . . . 4109 3 579 . 1 1 63 63 ASP CA C 13 55.435 0.050 . 1 . . . . . . . . 4109 3 580 . 1 1 63 63 ASP HA H 1 4.679 0.005 . 1 . . . . . . . . 4109 3 581 . 1 1 63 63 ASP CB C 13 40.934 0.050 . 1 . . . . . . . . 4109 3 582 . 1 1 63 63 ASP HB2 H 1 2.702 0.005 . 2 . . . . . . . . 4109 3 583 . 1 1 63 63 ASP HB3 H 1 2.410 0.005 . 2 . . . . . . . . 4109 3 584 . 1 1 64 64 LEU N N 15 121.251 0.050 . 1 . . . . . . . . 4109 3 585 . 1 1 64 64 LEU H H 1 7.254 0.005 . 1 . . . . . . . . 4109 3 586 . 1 1 64 64 LEU CA C 13 53.149 0.050 . 1 . . . . . . . . 4109 3 587 . 1 1 64 64 LEU HA H 1 4.313 0.005 . 1 . . . . . . . . 4109 3 588 . 1 1 64 64 LEU CB C 13 42.383 0.050 . 1 . . . . . . . . 4109 3 589 . 1 1 64 64 LEU CG C 13 26.415 0.050 . 1 . . . . . . . . 4109 3 590 . 1 1 64 64 LEU HG H 1 0.848 0.005 . 1 . . . . . . . . 4109 3 591 . 1 1 64 64 LEU CD1 C 13 23.274 0.050 . 2 . . . . . . . . 4109 3 592 . 1 1 64 64 LEU HD11 H 1 0.377 0.005 . 2 . . . . . . . . 4109 3 593 . 1 1 64 64 LEU HD12 H 1 0.377 0.005 . 2 . . . . . . . . 4109 3 594 . 1 1 64 64 LEU HD13 H 1 0.377 0.005 . 2 . . . . . . . . 4109 3 595 . 1 1 64 64 LEU CD2 C 13 25.823 0.050 . 2 . . . . . . . . 4109 3 596 . 1 1 64 64 LEU HD21 H 1 0.086 0.005 . 2 . . . . . . . . 4109 3 597 . 1 1 64 64 LEU HD22 H 1 0.086 0.005 . 2 . . . . . . . . 4109 3 598 . 1 1 64 64 LEU HD23 H 1 0.086 0.005 . 2 . . . . . . . . 4109 3 599 . 1 1 64 64 LEU HB2 H 1 0.224 0.005 . 1 . . . . . . . . 4109 3 600 . 1 1 64 64 LEU HB3 H 1 0.224 0.005 . 1 . . . . . . . . 4109 3 601 . 1 1 65 65 LYS N N 15 128.494 0.050 . 1 . . . . . . . . 4109 3 602 . 1 1 65 65 LYS H H 1 9.014 0.005 . 1 . . . . . . . . 4109 3 603 . 1 1 65 65 LYS CA C 13 54.442 0.050 . 1 . . . . . . . . 4109 3 604 . 1 1 65 65 LYS HA H 1 4.975 0.005 . 1 . . . . . . . . 4109 3 605 . 1 1 65 65 LYS CB C 13 35.192 0.050 . 1 . . . . . . . . 4109 3 606 . 1 1 65 65 LYS HB2 H 1 1.586 0.005 . 2 . . . . . . . . 4109 3 607 . 1 1 65 65 LYS HB3 H 1 1.372 0.005 . 2 . . . . . . . . 4109 3 608 . 1 1 65 65 LYS CG C 13 24.620 0.050 . 1 . . . . . . . . 4109 3 609 . 1 1 65 65 LYS HG2 H 1 1.193 0.005 . 2 . . . . . . . . 4109 3 610 . 1 1 65 65 LYS HG3 H 1 0.791 0.005 . 2 . . . . . . . . 4109 3 611 . 1 1 65 65 LYS CD C 13 29.540 0.050 . 1 . . . . . . . . 4109 3 612 . 1 1 65 65 LYS CE C 13 42.322 0.050 . 1 . . . . . . . . 4109 3 613 . 1 1 65 65 LYS HD2 H 1 1.502 0.005 . 1 . . . . . . . . 4109 3 614 . 1 1 65 65 LYS HD3 H 1 1.502 0.005 . 1 . . . . . . . . 4109 3 615 . 1 1 65 65 LYS HE2 H 1 2.772 0.005 . 1 . . . . . . . . 4109 3 616 . 1 1 65 65 LYS HE3 H 1 2.772 0.005 . 1 . . . . . . . . 4109 3 617 . 1 1 66 66 ILE N N 15 127.763 0.050 . 1 . . . . . . . . 4109 3 618 . 1 1 66 66 ILE H H 1 8.592 0.005 . 1 . . . . . . . . 4109 3 619 . 1 1 66 66 ILE CB C 13 38.512 0.050 . 1 . . . . . . . . 4109 3 620 . 1 1 66 66 ILE HB H 1 1.578 0.005 . 1 . . . . . . . . 4109 3 621 . 1 1 66 66 ILE CG1 C 13 27.209 0.050 . 1 . . . . . . . . 4109 3 622 . 1 1 66 66 ILE HG12 H 1 1.258 0.005 . 2 . . . . . . . . 4109 3 623 . 1 1 66 66 ILE HG13 H 1 0.802 0.005 . 2 . . . . . . . . 4109 3 624 . 1 1 66 66 ILE CG2 C 13 17.311 0.050 . 1 . . . . . . . . 4109 3 625 . 1 1 66 66 ILE HG21 H 1 0.512 0.005 . 1 . . . . . . . . 4109 3 626 . 1 1 66 66 ILE HG22 H 1 0.512 0.005 . 1 . . . . . . . . 4109 3 627 . 1 1 66 66 ILE HG23 H 1 0.512 0.005 . 1 . . . . . . . . 4109 3 628 . 1 1 66 66 ILE CD1 C 13 13.811 0.050 . 1 . . . . . . . . 4109 3 629 . 1 1 66 66 ILE HD11 H 1 0.465 0.005 . 1 . . . . . . . . 4109 3 630 . 1 1 66 66 ILE HD12 H 1 0.465 0.005 . 1 . . . . . . . . 4109 3 631 . 1 1 66 66 ILE HD13 H 1 0.465 0.005 . 1 . . . . . . . . 4109 3 632 . 1 1 67 67 LYS N N 15 125.852 0.050 . 1 . . . . . . . . 4109 3 633 . 1 1 67 67 LYS H H 1 7.843 0.005 . 1 . . . . . . . . 4109 3 634 . 1 1 67 67 LYS CA C 13 59.699 0.050 . 1 . . . . . . . . 4109 3 635 . 1 1 67 67 LYS HA H 1 3.696 0.005 . 1 . . . . . . . . 4109 3 636 . 1 1 67 67 LYS CB C 13 33.085 0.050 . 1 . . . . . . . . 4109 3 637 . 1 1 67 67 LYS HB2 H 1 1.681 0.005 . 2 . . . . . . . . 4109 3 638 . 1 1 67 67 LYS HB3 H 1 1.437 0.005 . 2 . . . . . . . . 4109 3 639 . 1 1 67 67 LYS CG C 13 25.966 0.050 . 1 . . . . . . . . 4109 3 640 . 1 1 67 67 LYS HG2 H 1 1.184 0.005 . 2 . . . . . . . . 4109 3 641 . 1 1 67 67 LYS HG3 H 1 1.087 0.005 . 2 . . . . . . . . 4109 3 642 . 1 1 67 67 LYS CD C 13 29.281 0.050 . 1 . . . . . . . . 4109 3 643 . 1 1 67 67 LYS CE C 13 42.277 0.050 . 1 . . . . . . . . 4109 3 644 . 1 1 67 67 LYS HE2 H 1 2.787 0.005 . 1 . . . . . . . . 4109 3 645 . 1 1 67 67 LYS HE3 H 1 2.663 0.005 . 1 . . . . . . . . 4109 3 646 . 1 1 67 67 LYS HD2 H 1 1.559 0.005 . 1 . . . . . . . . 4109 3 647 . 1 1 67 67 LYS HD3 H 1 1.559 0.005 . 1 . . . . . . . . 4109 3 648 . 1 1 68 68 ASN N N 15 117.178 0.050 . 1 . . . . . . . . 4109 3 649 . 1 1 68 68 ASN H H 1 8.426 0.005 . 1 . . . . . . . . 4109 3 650 . 1 1 68 68 ASN CA C 13 53.085 0.050 . 1 . . . . . . . . 4109 3 651 . 1 1 68 68 ASN HA H 1 3.941 0.005 . 1 . . . . . . . . 4109 3 652 . 1 1 68 68 ASN CB C 13 39.591 0.050 . 1 . . . . . . . . 4109 3 653 . 1 1 68 68 ASN HB2 H 1 2.496 0.005 . 2 . . . . . . . . 4109 3 654 . 1 1 68 68 ASN HB3 H 1 2.269 0.005 . 2 . . . . . . . . 4109 3 655 . 1 1 69 69 LEU N N 15 124.213 0.050 . 1 . . . . . . . . 4109 3 656 . 1 1 69 69 LEU H H 1 8.090 0.005 . 1 . . . . . . . . 4109 3 657 . 1 1 69 69 LEU CA C 13 56.993 0.050 . 1 . . . . . . . . 4109 3 658 . 1 1 69 69 LEU HA H 1 4.014 0.005 . 1 . . . . . . . . 4109 3 659 . 1 1 69 69 LEU CB C 13 42.746 0.050 . 1 . . . . . . . . 4109 3 660 . 1 1 69 69 LEU CG C 13 26.826 0.050 . 1 . . . . . . . . 4109 3 661 . 1 1 69 69 LEU HG H 1 1.536 0.005 . 1 . . . . . . . . 4109 3 662 . 1 1 69 69 LEU CD1 C 13 25.973 0.050 . 2 . . . . . . . . 4109 3 663 . 1 1 69 69 LEU HD11 H 1 0.783 0.005 . 2 . . . . . . . . 4109 3 664 . 1 1 69 69 LEU HD12 H 1 0.783 0.005 . 2 . . . . . . . . 4109 3 665 . 1 1 69 69 LEU HD13 H 1 0.783 0.005 . 2 . . . . . . . . 4109 3 666 . 1 1 69 69 LEU CD2 C 13 25.761 0.050 . 2 . . . . . . . . 4109 3 667 . 1 1 69 69 LEU HD21 H 1 0.665 0.005 . 2 . . . . . . . . 4109 3 668 . 1 1 69 69 LEU HD22 H 1 0.665 0.005 . 2 . . . . . . . . 4109 3 669 . 1 1 69 69 LEU HD23 H 1 0.665 0.005 . 2 . . . . . . . . 4109 3 670 . 1 1 69 69 LEU HB2 H 1 1.689 0.005 . 1 . . . . . . . . 4109 3 671 . 1 1 69 69 LEU HB3 H 1 1.689 0.005 . 1 . . . . . . . . 4109 3 672 . 1 1 70 70 THR N N 15 118.870 0.050 . 1 . . . . . . . . 4109 3 673 . 1 1 70 70 THR H H 1 9.229 0.005 . 1 . . . . . . . . 4109 3 674 . 1 1 70 70 THR CA C 13 60.001 0.050 . 1 . . . . . . . . 4109 3 675 . 1 1 70 70 THR HA H 1 4.735 0.005 . 1 . . . . . . . . 4109 3 676 . 1 1 70 70 THR CB C 13 73.041 0.050 . 1 . . . . . . . . 4109 3 677 . 1 1 70 70 THR HB H 1 4.424 0.005 . 1 . . . . . . . . 4109 3 678 . 1 1 70 70 THR CG2 C 13 21.503 0.050 . 1 . . . . . . . . 4109 3 679 . 1 1 70 70 THR HG21 H 1 1.224 0.005 . 1 . . . . . . . . 4109 3 680 . 1 1 70 70 THR HG22 H 1 1.224 0.005 . 1 . . . . . . . . 4109 3 681 . 1 1 70 70 THR HG23 H 1 1.224 0.005 . 1 . . . . . . . . 4109 3 682 . 1 1 71 71 ARG N N 15 120.973 0.050 . 1 . . . . . . . . 4109 3 683 . 1 1 71 71 ARG H H 1 8.966 0.005 . 1 . . . . . . . . 4109 3 684 . 1 1 71 71 ARG CA C 13 59.987 0.050 . 1 . . . . . . . . 4109 3 685 . 1 1 71 71 ARG HA H 1 3.835 0.005 . 1 . . . . . . . . 4109 3 686 . 1 1 71 71 ARG CD C 13 43.009 0.050 . 1 . . . . . . . . 4109 3 687 . 1 1 71 71 ARG HD2 H 1 3.177 0.005 . 1 . . . . . . . . 4109 3 688 . 1 1 71 71 ARG HD3 H 1 3.177 0.005 . 1 . . . . . . . . 4109 3 689 . 1 1 72 72 ASP N N 15 117.379 0.050 . 1 . . . . . . . . 4109 3 690 . 1 1 72 72 ASP H H 1 7.802 0.005 . 1 . . . . . . . . 4109 3 691 . 1 1 72 72 ASP CA C 13 55.656 0.050 . 1 . . . . . . . . 4109 3 692 . 1 1 72 72 ASP HA H 1 4.453 0.005 . 1 . . . . . . . . 4109 3 693 . 1 1 72 72 ASP CB C 13 40.691 0.050 . 1 . . . . . . . . 4109 3 694 . 1 1 72 72 ASP HB2 H 1 2.666 0.005 . 1 . . . . . . . . 4109 3 695 . 1 1 72 72 ASP HB3 H 1 2.666 0.005 . 1 . . . . . . . . 4109 3 696 . 1 1 73 73 ASP N N 15 116.492 0.050 . 1 . . . . . . . . 4109 3 697 . 1 1 73 73 ASP H H 1 7.574 0.005 . 1 . . . . . . . . 4109 3 698 . 1 1 73 73 ASP CA C 13 55.340 0.050 . 1 . . . . . . . . 4109 3 699 . 1 1 73 73 ASP HA H 1 4.767 0.005 . 1 . . . . . . . . 4109 3 700 . 1 1 73 73 ASP CB C 13 42.180 0.050 . 1 . . . . . . . . 4109 3 701 . 1 1 73 73 ASP HB2 H 1 2.837 0.005 . 2 . . . . . . . . 4109 3 702 . 1 1 73 73 ASP HB3 H 1 2.699 0.005 . 2 . . . . . . . . 4109 3 703 . 1 1 74 74 SER N N 15 115.373 0.050 . 1 . . . . . . . . 4109 3 704 . 1 1 74 74 SER H H 1 7.399 0.005 . 1 . . . . . . . . 4109 3 705 . 1 1 74 74 SER CA C 13 59.023 0.050 . 1 . . . . . . . . 4109 3 706 . 1 1 74 74 SER HA H 1 4.165 0.005 . 1 . . . . . . . . 4109 3 707 . 1 1 74 74 SER CB C 13 64.087 0.050 . 1 . . . . . . . . 4109 3 708 . 1 1 74 74 SER HB2 H 1 4.114 0.005 . 2 . . . . . . . . 4109 3 709 . 1 1 74 74 SER HB3 H 1 3.857 0.005 . 2 . . . . . . . . 4109 3 710 . 1 1 75 75 GLY N N 15 111.378 0.050 . 1 . . . . . . . . 4109 3 711 . 1 1 75 75 GLY H H 1 8.731 0.005 . 1 . . . . . . . . 4109 3 712 . 1 1 75 75 GLY CA C 13 44.403 0.050 . 1 . . . . . . . . 4109 3 713 . 1 1 75 75 GLY HA2 H 1 4.416 0.005 . 1 . . . . . . . . 4109 3 714 . 1 1 75 75 GLY HA3 H 1 3.911 0.005 . 1 . . . . . . . . 4109 3 715 . 1 1 76 76 THR N N 15 117.787 0.050 . 1 . . . . . . . . 4109 3 716 . 1 1 76 76 THR H H 1 8.325 0.005 . 1 . . . . . . . . 4109 3 717 . 1 1 76 76 THR CA C 13 63.156 0.050 . 1 . . . . . . . . 4109 3 718 . 1 1 76 76 THR HA H 1 5.119 0.005 . 1 . . . . . . . . 4109 3 719 . 1 1 76 76 THR CB C 13 69.882 0.050 . 1 . . . . . . . . 4109 3 720 . 1 1 76 76 THR HB H 1 3.838 0.005 . 1 . . . . . . . . 4109 3 721 . 1 1 76 76 THR CG2 C 13 22.441 0.050 . 1 . . . . . . . . 4109 3 722 . 1 1 76 76 THR HG21 H 1 1.131 0.005 . 1 . . . . . . . . 4109 3 723 . 1 1 76 76 THR HG22 H 1 1.131 0.005 . 1 . . . . . . . . 4109 3 724 . 1 1 76 76 THR HG23 H 1 1.131 0.005 . 1 . . . . . . . . 4109 3 725 . 1 1 77 77 TYR N N 15 130.443 0.050 . 1 . . . . . . . . 4109 3 726 . 1 1 77 77 TYR H H 1 9.913 0.005 . 1 . . . . . . . . 4109 3 727 . 1 1 77 77 TYR CA C 13 57.106 0.050 . 1 . . . . . . . . 4109 3 728 . 1 1 77 77 TYR HA H 1 5.179 0.005 . 1 . . . . . . . . 4109 3 729 . 1 1 78 78 ASN N N 15 121.814 0.050 . 1 . . . . . . . . 4109 3 730 . 1 1 78 78 ASN H H 1 9.594 0.005 . 1 . . . . . . . . 4109 3 731 . 1 1 78 78 ASN CA C 13 52.545 0.050 . 1 . . . . . . . . 4109 3 732 . 1 1 78 78 ASN HA H 1 5.571 0.005 . 1 . . . . . . . . 4109 3 733 . 1 1 78 78 ASN CB C 13 42.914 0.050 . 1 . . . . . . . . 4109 3 734 . 1 1 78 78 ASN HB2 H 1 2.592 0.005 . 1 . . . . . . . . 4109 3 735 . 1 1 78 78 ASN HB3 H 1 2.592 0.005 . 1 . . . . . . . . 4109 3 736 . 1 1 79 79 VAL N N 15 126.317 0.050 . 1 . . . . . . . . 4109 3 737 . 1 1 79 79 VAL H H 1 9.107 0.005 . 1 . . . . . . . . 4109 3 738 . 1 1 79 79 VAL CA C 13 57.433 0.050 . 1 . . . . . . . . 4109 3 739 . 1 1 79 79 VAL HA H 1 5.020 0.005 . 1 . . . . . . . . 4109 3 740 . 1 1 79 79 VAL CB C 13 32.396 0.050 . 1 . . . . . . . . 4109 3 741 . 1 1 79 79 VAL HB H 1 -0.429 0.005 . 1 . . . . . . . . 4109 3 742 . 1 1 79 79 VAL CG1 C 13 18.518 0.050 . 2 . . . . . . . . 4109 3 743 . 1 1 79 79 VAL HG11 H 1 0.221 0.005 . 2 . . . . . . . . 4109 3 744 . 1 1 79 79 VAL HG12 H 1 0.221 0.005 . 2 . . . . . . . . 4109 3 745 . 1 1 79 79 VAL HG13 H 1 0.221 0.005 . 2 . . . . . . . . 4109 3 746 . 1 1 79 79 VAL CG2 C 13 21.411 0.050 . 2 . . . . . . . . 4109 3 747 . 1 1 79 79 VAL HG21 H 1 -0.420 0.005 . 2 . . . . . . . . 4109 3 748 . 1 1 79 79 VAL HG22 H 1 -0.420 0.005 . 2 . . . . . . . . 4109 3 749 . 1 1 79 79 VAL HG23 H 1 -0.420 0.005 . 2 . . . . . . . . 4109 3 750 . 1 1 80 80 THR N N 15 120.809 0.050 . 1 . . . . . . . . 4109 3 751 . 1 1 80 80 THR H H 1 8.358 0.005 . 1 . . . . . . . . 4109 3 752 . 1 1 80 80 THR CA C 13 60.354 0.050 . 1 . . . . . . . . 4109 3 753 . 1 1 80 80 THR HA H 1 4.846 0.005 . 1 . . . . . . . . 4109 3 754 . 1 1 80 80 THR CB C 13 71.177 0.050 . 1 . . . . . . . . 4109 3 755 . 1 1 80 80 THR HB H 1 3.626 0.005 . 1 . . . . . . . . 4109 3 756 . 1 1 80 80 THR CG2 C 13 22.547 0.050 . 1 . . . . . . . . 4109 3 757 . 1 1 80 80 THR HG21 H 1 0.959 0.005 . 1 . . . . . . . . 4109 3 758 . 1 1 80 80 THR HG22 H 1 0.959 0.005 . 1 . . . . . . . . 4109 3 759 . 1 1 80 80 THR HG23 H 1 0.959 0.005 . 1 . . . . . . . . 4109 3 760 . 1 1 81 81 VAL N N 15 124.033 0.050 . 1 . . . . . . . . 4109 3 761 . 1 1 81 81 VAL H H 1 7.741 0.005 . 1 . . . . . . . . 4109 3 762 . 1 1 81 81 VAL CA C 13 60.388 0.050 . 1 . . . . . . . . 4109 3 763 . 1 1 81 81 VAL HA H 1 4.963 0.005 . 1 . . . . . . . . 4109 3 764 . 1 1 81 81 VAL CB C 13 35.347 0.050 . 1 . . . . . . . . 4109 3 765 . 1 1 81 81 VAL HB H 1 1.553 0.005 . 1 . . . . . . . . 4109 3 766 . 1 1 81 81 VAL CG1 C 13 23.290 0.050 . 2 . . . . . . . . 4109 3 767 . 1 1 81 81 VAL HG11 H 1 1.056 0.005 . 2 . . . . . . . . 4109 3 768 . 1 1 81 81 VAL HG12 H 1 1.056 0.005 . 2 . . . . . . . . 4109 3 769 . 1 1 81 81 VAL HG13 H 1 1.056 0.005 . 2 . . . . . . . . 4109 3 770 . 1 1 81 81 VAL CG2 C 13 21.205 0.050 . 2 . . . . . . . . 4109 3 771 . 1 1 81 81 VAL HG21 H 1 0.356 0.005 . 2 . . . . . . . . 4109 3 772 . 1 1 81 81 VAL HG22 H 1 0.356 0.005 . 2 . . . . . . . . 4109 3 773 . 1 1 81 81 VAL HG23 H 1 0.356 0.005 . 2 . . . . . . . . 4109 3 774 . 1 1 82 82 TYR N N 15 125.619 0.050 . 1 . . . . . . . . 4109 3 775 . 1 1 82 82 TYR H H 1 9.227 0.005 . 1 . . . . . . . . 4109 3 776 . 1 1 82 82 TYR CA C 13 56.425 0.050 . 1 . . . . . . . . 4109 3 777 . 1 1 82 82 TYR HA H 1 5.554 0.005 . 1 . . . . . . . . 4109 3 778 . 1 1 83 83 SER N N 15 119.106 0.050 . 1 . . . . . . . . 4109 3 779 . 1 1 83 83 SER H H 1 9.226 0.005 . 1 . . . . . . . . 4109 3 780 . 1 1 83 83 SER CA C 13 57.091 0.050 . 1 . . . . . . . . 4109 3 781 . 1 1 83 83 SER HA H 1 5.330 0.005 . 1 . . . . . . . . 4109 3 782 . 1 1 83 83 SER CB C 13 65.484 0.050 . 1 . . . . . . . . 4109 3 783 . 1 1 83 83 SER HB2 H 1 4.433 0.005 . 2 . . . . . . . . 4109 3 784 . 1 1 83 83 SER HB3 H 1 3.889 0.005 . 2 . . . . . . . . 4109 3 785 . 1 1 84 84 THR N N 15 116.537 0.050 . 1 . . . . . . . . 4109 3 786 . 1 1 84 84 THR H H 1 8.722 0.005 . 1 . . . . . . . . 4109 3 787 . 1 1 84 84 THR CA C 13 65.233 0.050 . 1 . . . . . . . . 4109 3 788 . 1 1 84 84 THR HA H 1 3.952 0.005 . 1 . . . . . . . . 4109 3 789 . 1 1 84 84 THR CB C 13 69.002 0.050 . 1 . . . . . . . . 4109 3 790 . 1 1 84 84 THR HB H 1 4.294 0.005 . 1 . . . . . . . . 4109 3 791 . 1 1 84 84 THR CG2 C 13 21.504 0.050 . 1 . . . . . . . . 4109 3 792 . 1 1 84 84 THR HG21 H 1 1.255 0.005 . 1 . . . . . . . . 4109 3 793 . 1 1 84 84 THR HG22 H 1 1.255 0.005 . 1 . . . . . . . . 4109 3 794 . 1 1 84 84 THR HG23 H 1 1.255 0.005 . 1 . . . . . . . . 4109 3 795 . 1 1 85 85 ASN CA C 13 52.688 0.050 . 1 . . . . . . . . 4109 3 796 . 1 1 85 85 ASN HA H 1 4.782 0.005 . 1 . . . . . . . . 4109 3 797 . 1 1 85 85 ASN CB C 13 37.824 0.050 . 1 . . . . . . . . 4109 3 798 . 1 1 85 85 ASN HB2 H 1 3.308 0.005 . 2 . . . . . . . . 4109 3 799 . 1 1 85 85 ASN HB3 H 1 2.739 0.005 . 2 . . . . . . . . 4109 3 800 . 1 1 85 85 ASN CG C 13 177.476 0.050 . 1 . . . . . . . . 4109 3 801 . 1 1 86 86 GLY N N 15 108.697 0.050 . 1 . . . . . . . . 4109 3 802 . 1 1 86 86 GLY H H 1 8.228 0.005 . 1 . . . . . . . . 4109 3 803 . 1 1 86 86 GLY CA C 13 45.412 0.050 . 1 . . . . . . . . 4109 3 804 . 1 1 86 86 GLY HA2 H 1 4.270 0.005 . 1 . . . . . . . . 4109 3 805 . 1 1 86 86 GLY HA3 H 1 3.773 0.005 . 1 . . . . . . . . 4109 3 806 . 1 1 87 87 THR N N 15 117.633 0.050 . 1 . . . . . . . . 4109 3 807 . 1 1 87 87 THR H H 1 7.699 0.005 . 1 . . . . . . . . 4109 3 808 . 1 1 87 87 THR CA C 13 63.429 0.050 . 1 . . . . . . . . 4109 3 809 . 1 1 87 87 THR HA H 1 4.146 0.005 . 1 . . . . . . . . 4109 3 810 . 1 1 87 87 THR CB C 13 69.519 0.050 . 1 . . . . . . . . 4109 3 811 . 1 1 87 87 THR HB H 1 4.139 0.005 . 1 . . . . . . . . 4109 3 812 . 1 1 87 87 THR CG2 C 13 21.504 0.050 . 1 . . . . . . . . 4109 3 813 . 1 1 87 87 THR HG21 H 1 1.021 0.005 . 1 . . . . . . . . 4109 3 814 . 1 1 87 87 THR HG22 H 1 1.021 0.005 . 1 . . . . . . . . 4109 3 815 . 1 1 87 87 THR HG23 H 1 1.021 0.005 . 1 . . . . . . . . 4109 3 816 . 1 1 88 88 ARG N N 15 128.784 0.050 . 1 . . . . . . . . 4109 3 817 . 1 1 88 88 ARG H H 1 8.951 0.005 . 1 . . . . . . . . 4109 3 818 . 1 1 88 88 ARG CA C 13 56.166 0.050 . 1 . . . . . . . . 4109 3 819 . 1 1 88 88 ARG HA H 1 4.071 0.005 . 1 . . . . . . . . 4109 3 820 . 1 1 88 88 ARG CB C 13 30.043 0.050 . 1 . . . . . . . . 4109 3 821 . 1 1 88 88 ARG HB2 H 1 1.901 0.005 . 2 . . . . . . . . 4109 3 822 . 1 1 88 88 ARG HB3 H 1 1.534 0.005 . 2 . . . . . . . . 4109 3 823 . 1 1 88 88 ARG CG C 13 27.002 0.050 . 1 . . . . . . . . 4109 3 824 . 1 1 88 88 ARG CD C 13 43.988 0.050 . 1 . . . . . . . . 4109 3 825 . 1 1 88 88 ARG HG2 H 1 0.997 0.005 . 1 . . . . . . . . 4109 3 826 . 1 1 88 88 ARG HG3 H 1 0.997 0.005 . 1 . . . . . . . . 4109 3 827 . 1 1 88 88 ARG HD2 H 1 3.015 0.005 . 1 . . . . . . . . 4109 3 828 . 1 1 88 88 ARG HD3 H 1 3.015 0.005 . 1 . . . . . . . . 4109 3 829 . 1 1 89 89 ILE N N 15 128.069 0.050 . 1 . . . . . . . . 4109 3 830 . 1 1 89 89 ILE H H 1 8.646 0.005 . 1 . . . . . . . . 4109 3 831 . 1 1 89 89 ILE CA C 13 61.352 0.050 . 1 . . . . . . . . 4109 3 832 . 1 1 89 89 ILE HA H 1 4.144 0.005 . 1 . . . . . . . . 4109 3 833 . 1 1 89 89 ILE CB C 13 38.946 0.050 . 1 . . . . . . . . 4109 3 834 . 1 1 89 89 ILE HB H 1 1.760 0.005 . 1 . . . . . . . . 4109 3 835 . 1 1 89 89 ILE CG1 C 13 26.899 0.050 . 1 . . . . . . . . 4109 3 836 . 1 1 89 89 ILE HG12 H 1 1.233 0.005 . 2 . . . . . . . . 4109 3 837 . 1 1 89 89 ILE HG13 H 1 1.152 0.005 . 2 . . . . . . . . 4109 3 838 . 1 1 89 89 ILE CD1 C 13 12.514 0.050 . 1 . . . . . . . . 4109 3 839 . 1 1 89 89 ILE HD11 H 1 0.829 0.005 . 1 . . . . . . . . 4109 3 840 . 1 1 89 89 ILE HD12 H 1 0.829 0.005 . 1 . . . . . . . . 4109 3 841 . 1 1 89 89 ILE HD13 H 1 0.829 0.005 . 1 . . . . . . . . 4109 3 842 . 1 1 90 90 LEU N N 15 118.980 0.050 . 1 . . . . . . . . 4109 3 843 . 1 1 90 90 LEU H H 1 7.169 0.005 . 1 . . . . . . . . 4109 3 844 . 1 1 90 90 LEU CA C 13 55.361 0.050 . 1 . . . . . . . . 4109 3 845 . 1 1 90 90 LEU HA H 1 4.445 0.005 . 1 . . . . . . . . 4109 3 846 . 1 1 90 90 LEU CB C 13 45.283 0.050 . 1 . . . . . . . . 4109 3 847 . 1 1 90 90 LEU HB2 H 1 1.437 0.005 . 2 . . . . . . . . 4109 3 848 . 1 1 90 90 LEU HB3 H 1 1.412 0.005 . 2 . . . . . . . . 4109 3 849 . 1 1 90 90 LEU CG C 13 26.598 0.050 . 1 . . . . . . . . 4109 3 850 . 1 1 90 90 LEU HG H 1 1.320 0.005 . 1 . . . . . . . . 4109 3 851 . 1 1 90 90 LEU CD1 C 13 26.085 0.050 . 2 . . . . . . . . 4109 3 852 . 1 1 90 90 LEU HD11 H 1 0.667 0.005 . 2 . . . . . . . . 4109 3 853 . 1 1 90 90 LEU HD12 H 1 0.667 0.005 . 2 . . . . . . . . 4109 3 854 . 1 1 90 90 LEU HD13 H 1 0.667 0.005 . 2 . . . . . . . . 4109 3 855 . 1 1 90 90 LEU CD2 C 13 26.897 0.050 . 2 . . . . . . . . 4109 3 856 . 1 1 90 90 LEU HD21 H 1 0.524 0.005 . 2 . . . . . . . . 4109 3 857 . 1 1 90 90 LEU HD22 H 1 0.524 0.005 . 2 . . . . . . . . 4109 3 858 . 1 1 90 90 LEU HD23 H 1 0.524 0.005 . 2 . . . . . . . . 4109 3 859 . 1 1 91 91 ASN N N 15 122.581 0.050 . 1 . . . . . . . . 4109 3 860 . 1 1 91 91 ASN H H 1 8.376 0.005 . 1 . . . . . . . . 4109 3 861 . 1 1 91 91 ASN CA C 13 53.117 0.050 . 1 . . . . . . . . 4109 3 862 . 1 1 91 91 ASN HA H 1 5.377 0.005 . 1 . . . . . . . . 4109 3 863 . 1 1 91 91 ASN CB C 13 40.938 0.050 . 1 . . . . . . . . 4109 3 864 . 1 1 91 91 ASN HB2 H 1 2.513 0.005 . 2 . . . . . . . . 4109 3 865 . 1 1 91 91 ASN HB3 H 1 2.444 0.005 . 2 . . . . . . . . 4109 3 866 . 1 1 92 92 LYS N N 15 124.922 0.050 . 1 . . . . . . . . 4109 3 867 . 1 1 92 92 LYS H H 1 8.632 0.005 . 1 . . . . . . . . 4109 3 868 . 1 1 92 92 LYS CA C 13 54.171 0.050 . 1 . . . . . . . . 4109 3 869 . 1 1 92 92 LYS HA H 1 4.679 0.005 . 1 . . . . . . . . 4109 3 870 . 1 1 92 92 LYS CB C 13 36.969 0.050 . 1 . . . . . . . . 4109 3 871 . 1 1 92 92 LYS HB2 H 1 1.657 0.005 . 2 . . . . . . . . 4109 3 872 . 1 1 92 92 LYS HB3 H 1 1.347 0.005 . 2 . . . . . . . . 4109 3 873 . 1 1 92 92 LYS CD C 13 25.961 0.050 . 1 . . . . . . . . 4109 3 874 . 1 1 92 92 LYS HD2 H 1 1.795 0.005 . 2 . . . . . . . . 4109 3 875 . 1 1 92 92 LYS HD3 H 1 1.616 0.005 . 2 . . . . . . . . 4109 3 876 . 1 1 93 93 ALA N N 15 125.304 0.050 . 1 . . . . . . . . 4109 3 877 . 1 1 93 93 ALA H H 1 8.222 0.005 . 1 . . . . . . . . 4109 3 878 . 1 1 93 93 ALA CA C 13 50.571 0.050 . 1 . . . . . . . . 4109 3 879 . 1 1 93 93 ALA HA H 1 5.452 0.005 . 1 . . . . . . . . 4109 3 880 . 1 1 93 93 ALA CB C 13 21.568 0.050 . 1 . . . . . . . . 4109 3 881 . 1 1 93 93 ALA HB1 H 1 1.234 0.005 . 1 . . . . . . . . 4109 3 882 . 1 1 93 93 ALA HB2 H 1 1.234 0.005 . 1 . . . . . . . . 4109 3 883 . 1 1 93 93 ALA HB3 H 1 1.234 0.005 . 1 . . . . . . . . 4109 3 884 . 1 1 94 94 LEU N N 15 124.585 0.050 . 1 . . . . . . . . 4109 3 885 . 1 1 94 94 LEU H H 1 9.427 0.005 . 1 . . . . . . . . 4109 3 886 . 1 1 94 94 LEU CA C 13 54.015 0.050 . 1 . . . . . . . . 4109 3 887 . 1 1 94 94 LEU HA H 1 4.865 0.005 . 1 . . . . . . . . 4109 3 888 . 1 1 94 94 LEU CB C 13 45.820 0.050 . 1 . . . . . . . . 4109 3 889 . 1 1 94 94 LEU HB2 H 1 1.722 0.005 . 2 . . . . . . . . 4109 3 890 . 1 1 94 94 LEU HB3 H 1 1.469 0.005 . 2 . . . . . . . . 4109 3 891 . 1 1 94 94 LEU CG C 13 27.944 0.050 . 1 . . . . . . . . 4109 3 892 . 1 1 94 94 LEU HG H 1 1.673 0.005 . 1 . . . . . . . . 4109 3 893 . 1 1 94 94 LEU CD1 C 13 25.949 0.050 . 2 . . . . . . . . 4109 3 894 . 1 1 94 94 LEU HD11 H 1 0.988 0.005 . 2 . . . . . . . . 4109 3 895 . 1 1 94 94 LEU HD12 H 1 0.988 0.005 . 2 . . . . . . . . 4109 3 896 . 1 1 94 94 LEU HD13 H 1 0.988 0.005 . 2 . . . . . . . . 4109 3 897 . 1 1 94 94 LEU CD2 C 13 25.332 0.050 . 2 . . . . . . . . 4109 3 898 . 1 1 94 94 LEU HD21 H 1 0.897 0.005 . 2 . . . . . . . . 4109 3 899 . 1 1 94 94 LEU HD22 H 1 0.897 0.005 . 2 . . . . . . . . 4109 3 900 . 1 1 94 94 LEU HD23 H 1 0.897 0.005 . 2 . . . . . . . . 4109 3 901 . 1 1 95 95 ASP N N 15 124.358 0.050 . 1 . . . . . . . . 4109 3 902 . 1 1 95 95 ASP H H 1 8.687 0.005 . 1 . . . . . . . . 4109 3 903 . 1 1 95 95 ASP CA C 13 53.425 0.050 . 1 . . . . . . . . 4109 3 904 . 1 1 95 95 ASP HA H 1 5.048 0.005 . 1 . . . . . . . . 4109 3 905 . 1 1 95 95 ASP CB C 13 41.923 0.050 . 1 . . . . . . . . 4109 3 906 . 1 1 95 95 ASP HB2 H 1 2.687 0.005 . 2 . . . . . . . . 4109 3 907 . 1 1 95 95 ASP HB3 H 1 2.480 0.005 . 2 . . . . . . . . 4109 3 908 . 1 1 96 96 LEU N N 15 128.281 0.050 . 1 . . . . . . . . 4109 3 909 . 1 1 96 96 LEU H H 1 8.942 0.005 . 1 . . . . . . . . 4109 3 910 . 1 1 96 96 LEU CA C 13 54.107 0.050 . 1 . . . . . . . . 4109 3 911 . 1 1 96 96 LEU HA H 1 4.966 0.005 . 1 . . . . . . . . 4109 3 912 . 1 1 96 96 LEU CB C 13 43.345 0.050 . 1 . . . . . . . . 4109 3 913 . 1 1 96 96 LEU HB2 H 1 2.316 0.005 . 2 . . . . . . . . 4109 3 914 . 1 1 96 96 LEU HB3 H 1 1.557 0.005 . 2 . . . . . . . . 4109 3 915 . 1 1 96 96 LEU CG C 13 28.549 0.050 . 1 . . . . . . . . 4109 3 916 . 1 1 96 96 LEU HG H 1 1.223 0.005 . 1 . . . . . . . . 4109 3 917 . 1 1 96 96 LEU CD1 C 13 26.269 0.050 . 2 . . . . . . . . 4109 3 918 . 1 1 96 96 LEU HD11 H 1 0.654 0.005 . 2 . . . . . . . . 4109 3 919 . 1 1 96 96 LEU HD12 H 1 0.654 0.005 . 2 . . . . . . . . 4109 3 920 . 1 1 96 96 LEU HD13 H 1 0.654 0.005 . 2 . . . . . . . . 4109 3 921 . 1 1 96 96 LEU CD2 C 13 24.516 0.050 . 2 . . . . . . . . 4109 3 922 . 1 1 96 96 LEU HD21 H 1 0.652 0.005 . 2 . . . . . . . . 4109 3 923 . 1 1 96 96 LEU HD22 H 1 0.652 0.005 . 2 . . . . . . . . 4109 3 924 . 1 1 96 96 LEU HD23 H 1 0.652 0.005 . 2 . . . . . . . . 4109 3 925 . 1 1 97 97 ARG N N 15 129.546 0.050 . 1 . . . . . . . . 4109 3 926 . 1 1 97 97 ARG H H 1 8.890 0.005 . 1 . . . . . . . . 4109 3 927 . 1 1 97 97 ARG CA C 13 53.630 0.050 . 1 . . . . . . . . 4109 3 928 . 1 1 97 97 ARG HA H 1 4.451 0.005 . 1 . . . . . . . . 4109 3 929 . 1 1 97 97 ARG CB C 13 32.440 0.050 . 1 . . . . . . . . 4109 3 930 . 1 1 97 97 ARG HB2 H 1 1.111 0.005 . 2 . . . . . . . . 4109 3 931 . 1 1 97 97 ARG HB3 H 1 0.118 0.005 . 2 . . . . . . . . 4109 3 932 . 1 1 97 97 ARG CD C 13 42.940 0.050 . 1 . . . . . . . . 4109 3 933 . 1 1 97 97 ARG HD2 H 1 2.693 0.005 . 2 . . . . . . . . 4109 3 934 . 1 1 97 97 ARG HD3 H 1 2.609 0.005 . 2 . . . . . . . . 4109 3 935 . 1 1 98 98 ILE N N 15 122.005 0.050 . 1 . . . . . . . . 4109 3 936 . 1 1 98 98 ILE H H 1 8.361 0.005 . 1 . . . . . . . . 4109 3 937 . 1 1 98 98 ILE CA C 13 59.085 0.050 . 1 . . . . . . . . 4109 3 938 . 1 1 98 98 ILE HA H 1 4.638 0.005 . 1 . . . . . . . . 4109 3 939 . 1 1 98 98 ILE CB C 13 37.969 0.050 . 1 . . . . . . . . 4109 3 940 . 1 1 98 98 ILE HB H 1 1.903 0.005 . 1 . . . . . . . . 4109 3 941 . 1 1 98 98 ILE CG1 C 13 27.911 0.050 . 1 . . . . . . . . 4109 3 942 . 1 1 98 98 ILE HG12 H 1 1.355 0.005 . 2 . . . . . . . . 4109 3 943 . 1 1 98 98 ILE HG13 H 1 1.282 0.005 . 2 . . . . . . . . 4109 3 944 . 1 1 98 98 ILE CG2 C 13 18.154 0.050 . 1 . . . . . . . . 4109 3 945 . 1 1 98 98 ILE HG21 H 1 0.837 0.005 . 1 . . . . . . . . 4109 3 946 . 1 1 98 98 ILE HG22 H 1 0.837 0.005 . 1 . . . . . . . . 4109 3 947 . 1 1 98 98 ILE HG23 H 1 0.837 0.005 . 1 . . . . . . . . 4109 3 948 . 1 1 98 98 ILE CD1 C 13 12.074 0.050 . 1 . . . . . . . . 4109 3 949 . 1 1 98 98 ILE HD11 H 1 0.655 0.005 . 1 . . . . . . . . 4109 3 950 . 1 1 98 98 ILE HD12 H 1 0.655 0.005 . 1 . . . . . . . . 4109 3 951 . 1 1 98 98 ILE HD13 H 1 0.655 0.005 . 1 . . . . . . . . 4109 3 952 . 1 1 99 99 LEU N N 15 130.698 0.050 . 1 . . . . . . . . 4109 3 953 . 1 1 99 99 LEU H H 1 8.794 0.005 . 1 . . . . . . . . 4109 3 954 . 1 1 99 99 LEU CA C 13 55.222 0.050 . 1 . . . . . . . . 4109 3 955 . 1 1 99 99 LEU HA H 1 4.533 0.005 . 1 . . . . . . . . 4109 3 956 . 1 1 99 99 LEU CB C 13 42.953 0.050 . 1 . . . . . . . . 4109 3 957 . 1 1 99 99 LEU HB2 H 1 1.616 0.005 . 2 . . . . . . . . 4109 3 958 . 1 1 99 99 LEU HB3 H 1 1.534 0.005 . 2 . . . . . . . . 4109 3 959 . 1 1 99 99 LEU CG C 13 27.189 0.050 . 1 . . . . . . . . 4109 3 960 . 1 1 99 99 LEU HG H 1 1.524 0.005 . 1 . . . . . . . . 4109 3 961 . 1 1 99 99 LEU CD1 C 13 24.833 0.050 . 2 . . . . . . . . 4109 3 962 . 1 1 99 99 LEU HD11 H 1 0.717 0.005 . 2 . . . . . . . . 4109 3 963 . 1 1 99 99 LEU HD12 H 1 0.717 0.005 . 2 . . . . . . . . 4109 3 964 . 1 1 99 99 LEU HD13 H 1 0.717 0.005 . 2 . . . . . . . . 4109 3 965 . 1 1 99 99 LEU CD2 C 13 24.253 0.050 . 2 . . . . . . . . 4109 3 966 . 1 1 99 99 LEU HD21 H 1 0.717 0.005 . 2 . . . . . . . . 4109 3 967 . 1 1 99 99 LEU HD22 H 1 0.717 0.005 . 2 . . . . . . . . 4109 3 968 . 1 1 99 99 LEU HD23 H 1 0.717 0.005 . 2 . . . . . . . . 4109 3 969 . 1 1 100 100 GLU N N 15 130.086 0.050 . 1 . . . . . . . . 4109 3 970 . 1 1 100 100 GLU H H 1 8.069 0.005 . 1 . . . . . . . . 4109 3 971 . 1 1 100 100 GLU CA C 13 57.847 0.050 . 1 . . . . . . . . 4109 3 972 . 1 1 100 100 GLU HA H 1 4.194 0.005 . 1 . . . . . . . . 4109 3 973 . 1 1 100 100 GLU CB C 13 31.249 0.050 . 1 . . . . . . . . 4109 3 974 . 1 1 100 100 GLU HB2 H 1 2.063 0.005 . 2 . . . . . . . . 4109 3 975 . 1 1 100 100 GLU HB3 H 1 1.901 0.005 . 2 . . . . . . . . 4109 3 976 . 1 1 100 100 GLU CG C 13 36.380 0.050 . 1 . . . . . . . . 4109 3 977 . 1 1 100 100 GLU CD C 13 184.737 0.050 . 1 . . . . . . . . 4109 3 978 . 1 1 100 100 GLU HG2 H 1 2.224 0.005 . 1 . . . . . . . . 4109 3 979 . 1 1 100 100 GLU HG3 H 1 2.224 0.005 . 1 . . . . . . . . 4109 3 stop_ save_