data_50944 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50944 _Entry.Title ; Backbone and nearly complete side-chain chemical shift assignments of the human Uncharacterized protein CXorf51A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-19 _Entry.Accession_date 2021-05-19 _Entry.Last_release_date 2021-05-19 _Entry.Original_release_date 2021-05-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Christoph Wiedemann . . . . 50944 2 'Kingsley Benjamin' Obika . . . . 50944 3 Sandra Liebscher . . . . 50944 4 Jan Jirschitzka . . . . 50944 5 Oliver Ohlenschlager . . . . 50944 6 Frank Bordusa . . . . 50944 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50944 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 50944 '15N chemical shifts' 108 50944 '1H chemical shifts' 794 50944 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-11-07 2021-05-19 update BMRB 'update entry citation' 50944 1 . . 2021-08-28 2021-05-19 original author 'original release' 50944 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50944 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34415548 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and nearly complete side-chain chemical shift assignments reveal the human uncharacterized protein CXorf51A as intrinsically disordered ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 441 _Citation.Page_last 448 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christoph Wiedemann . . . . 50944 1 2 'Kingsley Benjamin' Obika . . . . 50944 1 3 Sandra Liebscher . . . . 50944 1 4 Jan Jirschitzka . . . . 50944 1 5 Oliver Ohlenschlager . . . . 50944 1 6 Frank Bordusa . . . . 50944 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50944 _Assembly.ID 1 _Assembly.Name CX05A_HUMAN _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CX05A_HUMAN 1 $entity_1 . . yes native no no . . . 50944 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50944 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MAKVTSEPQKPNEDVDEQTP STSSTKGRKKGKTPRQRRSR SGVKGLKTTRKAKRPLRGSS SQKAGETNTPAGKPKKARGP ILRGRYHRLKEKMKKEEADK EQSETSVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue numbering starts at with -19 because the first 20 residues originate from the pruification tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP A0A1B0GTR3 . 'Uncharacterized protein CXorf51A / CX05A_HUMAN' . . . . . . . . . . . . . . 50944 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -19 MET . 50944 1 2 -18 GLY . 50944 1 3 -17 SER . 50944 1 4 -16 SER . 50944 1 5 -15 HIS . 50944 1 6 -14 HIS . 50944 1 7 -13 HIS . 50944 1 8 -12 HIS . 50944 1 9 -11 HIS . 50944 1 10 -10 HIS . 50944 1 11 -9 SER . 50944 1 12 -8 SER . 50944 1 13 -7 GLY . 50944 1 14 -6 LEU . 50944 1 15 -5 VAL . 50944 1 16 -4 PRO . 50944 1 17 -3 ARG . 50944 1 18 -2 GLY . 50944 1 19 -1 SER . 50944 1 20 0 HIS . 50944 1 21 1 MET . 50944 1 22 2 ALA . 50944 1 23 3 LYS . 50944 1 24 4 VAL . 50944 1 25 5 THR . 50944 1 26 6 SER . 50944 1 27 7 GLU . 50944 1 28 8 PRO . 50944 1 29 9 GLN . 50944 1 30 10 LYS . 50944 1 31 11 PRO . 50944 1 32 12 ASN . 50944 1 33 13 GLU . 50944 1 34 14 ASP . 50944 1 35 15 VAL . 50944 1 36 16 ASP . 50944 1 37 17 GLU . 50944 1 38 18 GLN . 50944 1 39 19 THR . 50944 1 40 20 PRO . 50944 1 41 21 SER . 50944 1 42 22 THR . 50944 1 43 23 SER . 50944 1 44 24 SER . 50944 1 45 25 THR . 50944 1 46 26 LYS . 50944 1 47 27 GLY . 50944 1 48 28 ARG . 50944 1 49 29 LYS . 50944 1 50 30 LYS . 50944 1 51 31 GLY . 50944 1 52 32 LYS . 50944 1 53 33 THR . 50944 1 54 34 PRO . 50944 1 55 35 ARG . 50944 1 56 36 GLN . 50944 1 57 37 ARG . 50944 1 58 38 ARG . 50944 1 59 39 SER . 50944 1 60 40 ARG . 50944 1 61 41 SER . 50944 1 62 42 GLY . 50944 1 63 43 VAL . 50944 1 64 44 LYS . 50944 1 65 45 GLY . 50944 1 66 46 LEU . 50944 1 67 47 LYS . 50944 1 68 48 THR . 50944 1 69 49 THR . 50944 1 70 50 ARG . 50944 1 71 51 LYS . 50944 1 72 52 ALA . 50944 1 73 53 LYS . 50944 1 74 54 ARG . 50944 1 75 55 PRO . 50944 1 76 56 LEU . 50944 1 77 57 ARG . 50944 1 78 58 GLY . 50944 1 79 59 SER . 50944 1 80 60 SER . 50944 1 81 61 SER . 50944 1 82 62 GLN . 50944 1 83 63 LYS . 50944 1 84 64 ALA . 50944 1 85 65 GLY . 50944 1 86 66 GLU . 50944 1 87 67 THR . 50944 1 88 68 ASN . 50944 1 89 69 THR . 50944 1 90 70 PRO . 50944 1 91 71 ALA . 50944 1 92 72 GLY . 50944 1 93 73 LYS . 50944 1 94 74 PRO . 50944 1 95 75 LYS . 50944 1 96 76 LYS . 50944 1 97 77 ALA . 50944 1 98 78 ARG . 50944 1 99 79 GLY . 50944 1 100 80 PRO . 50944 1 101 81 ILE . 50944 1 102 82 LEU . 50944 1 103 83 ARG . 50944 1 104 84 GLY . 50944 1 105 85 ARG . 50944 1 106 86 TYR . 50944 1 107 87 HIS . 50944 1 108 88 ARG . 50944 1 109 89 LEU . 50944 1 110 90 LYS . 50944 1 111 91 GLU . 50944 1 112 92 LYS . 50944 1 113 93 MET . 50944 1 114 94 LYS . 50944 1 115 95 LYS . 50944 1 116 96 GLU . 50944 1 117 97 GLU . 50944 1 118 98 ALA . 50944 1 119 99 ASP . 50944 1 120 100 LYS . 50944 1 121 101 GLU . 50944 1 122 102 GLN . 50944 1 123 103 SER . 50944 1 124 104 GLU . 50944 1 125 105 THR . 50944 1 126 106 SER . 50944 1 127 107 VAL . 50944 1 128 108 LEU . 50944 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 50944 1 . GLY 2 2 50944 1 . SER 3 3 50944 1 . SER 4 4 50944 1 . HIS 5 5 50944 1 . HIS 6 6 50944 1 . HIS 7 7 50944 1 . HIS 8 8 50944 1 . HIS 9 9 50944 1 . HIS 10 10 50944 1 . SER 11 11 50944 1 . SER 12 12 50944 1 . GLY 13 13 50944 1 . LEU 14 14 50944 1 . VAL 15 15 50944 1 . PRO 16 16 50944 1 . ARG 17 17 50944 1 . GLY 18 18 50944 1 . SER 19 19 50944 1 . HIS 20 20 50944 1 . MET 21 21 50944 1 . ALA 22 22 50944 1 . LYS 23 23 50944 1 . VAL 24 24 50944 1 . THR 25 25 50944 1 . SER 26 26 50944 1 . GLU 27 27 50944 1 . PRO 28 28 50944 1 . GLN 29 29 50944 1 . LYS 30 30 50944 1 . PRO 31 31 50944 1 . ASN 32 32 50944 1 . GLU 33 33 50944 1 . ASP 34 34 50944 1 . VAL 35 35 50944 1 . ASP 36 36 50944 1 . GLU 37 37 50944 1 . GLN 38 38 50944 1 . THR 39 39 50944 1 . PRO 40 40 50944 1 . SER 41 41 50944 1 . THR 42 42 50944 1 . SER 43 43 50944 1 . SER 44 44 50944 1 . THR 45 45 50944 1 . LYS 46 46 50944 1 . GLY 47 47 50944 1 . ARG 48 48 50944 1 . LYS 49 49 50944 1 . LYS 50 50 50944 1 . GLY 51 51 50944 1 . LYS 52 52 50944 1 . THR 53 53 50944 1 . PRO 54 54 50944 1 . ARG 55 55 50944 1 . GLN 56 56 50944 1 . ARG 57 57 50944 1 . ARG 58 58 50944 1 . SER 59 59 50944 1 . ARG 60 60 50944 1 . SER 61 61 50944 1 . GLY 62 62 50944 1 . VAL 63 63 50944 1 . LYS 64 64 50944 1 . GLY 65 65 50944 1 . LEU 66 66 50944 1 . LYS 67 67 50944 1 . THR 68 68 50944 1 . THR 69 69 50944 1 . ARG 70 70 50944 1 . LYS 71 71 50944 1 . ALA 72 72 50944 1 . LYS 73 73 50944 1 . ARG 74 74 50944 1 . PRO 75 75 50944 1 . LEU 76 76 50944 1 . ARG 77 77 50944 1 . GLY 78 78 50944 1 . SER 79 79 50944 1 . SER 80 80 50944 1 . SER 81 81 50944 1 . GLN 82 82 50944 1 . LYS 83 83 50944 1 . ALA 84 84 50944 1 . GLY 85 85 50944 1 . GLU 86 86 50944 1 . THR 87 87 50944 1 . ASN 88 88 50944 1 . THR 89 89 50944 1 . PRO 90 90 50944 1 . ALA 91 91 50944 1 . GLY 92 92 50944 1 . LYS 93 93 50944 1 . PRO 94 94 50944 1 . LYS 95 95 50944 1 . LYS 96 96 50944 1 . ALA 97 97 50944 1 . ARG 98 98 50944 1 . GLY 99 99 50944 1 . PRO 100 100 50944 1 . ILE 101 101 50944 1 . LEU 102 102 50944 1 . ARG 103 103 50944 1 . GLY 104 104 50944 1 . ARG 105 105 50944 1 . TYR 106 106 50944 1 . HIS 107 107 50944 1 . ARG 108 108 50944 1 . LEU 109 109 50944 1 . LYS 110 110 50944 1 . GLU 111 111 50944 1 . LYS 112 112 50944 1 . MET 113 113 50944 1 . LYS 114 114 50944 1 . LYS 115 115 50944 1 . GLU 116 116 50944 1 . GLU 117 117 50944 1 . ALA 118 118 50944 1 . ASP 119 119 50944 1 . LYS 120 120 50944 1 . GLU 121 121 50944 1 . GLN 122 122 50944 1 . SER 123 123 50944 1 . GLU 124 124 50944 1 . THR 125 125 50944 1 . SER 126 126 50944 1 . VAL 127 127 50944 1 . LEU 128 128 50944 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50944 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50944 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50944 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET28b . . . 50944 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50944 _Sample.ID 1 _Sample.Name CX05A_HUMAN _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CX05A_HUMAN '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 50944 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50944 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50944 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50944 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50944 1 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 50944 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50944 _Sample_condition_list.ID 1 _Sample_condition_list.Name CX05A_Sample _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 6.5 . pH 50944 1 pressure 1 . atm 50944 1 temperature 283.2 . K 50944 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50944 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50944 1 processing . 50944 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50944 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50944 2 'data analysis' . 50944 2 'peak picking' . 50944 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50944 _Software.ID 3 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50944 3 'data analysis' . 50944 3 'peak picking' . 50944 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50944 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Ascend 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50944 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 9 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50944 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50944 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CX05A_ChemShitRef _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50944 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50944 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50944 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50944 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CX05A_Assignment _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50944 1 2 '2D 1H-13C HSQC aliphatic' . . . 50944 1 3 '2D 1H-13C HSQC aromatic' . . . 50944 1 4 '3D HNCO' . . . 50944 1 5 '3D HN(CA)CO' . . . 50944 1 6 '3D HNCA' . . . 50944 1 7 '3D HN(CO)CA' . . . 50944 1 8 '3D HNCACB' . . . 50944 1 9 '3D HN(CO)CACB' . . . 50944 1 10 '3D C(CO)NH' . . . 50944 1 11 '3D 1H-15N TOCSY' . . . 50944 1 12 '3D 1H-15N NOESY' . . . 50944 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50944 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 11 11 SER C C 13 174.758 0.042 . 1 . . . . . -9 SER C . 50944 1 2 . 1 . 1 11 11 SER CA C 13 58.493 0.046 . 1 . . . . . -9 SER CA . 50944 1 3 . 1 . 1 11 11 SER CB C 13 63.829 0.001 . 1 . . . . . -9 SER CB . 50944 1 4 . 1 . 1 12 12 SER H H 1 8.594 0.002 . 1 . . . . . -8 SER H . 50944 1 5 . 1 . 1 12 12 SER HA H 1 4.528 0.000 . 1 . . . . . -8 SER HA . 50944 1 6 . 1 . 1 12 12 SER HB2 H 1 3.937 0.000 . 1 . . . . . -8 SER HB2 . 50944 1 7 . 1 . 1 12 12 SER HB3 H 1 3.937 0.000 . 1 . . . . . -8 SER HB3 . 50944 1 8 . 1 . 1 12 12 SER C C 13 175.039 0.003 . 1 . . . . . -8 SER C . 50944 1 9 . 1 . 1 12 12 SER CA C 13 58.739 0.034 . 1 . . . . . -8 SER CA . 50944 1 10 . 1 . 1 12 12 SER CB C 13 63.845 0.046 . 1 . . . . . -8 SER CB . 50944 1 11 . 1 . 1 12 12 SER N N 15 118.383 0.072 . 1 . . . . . -8 SER N . 50944 1 12 . 1 . 1 13 13 GLY H H 1 8.472 0.002 . 1 . . . . . -7 GLY H . 50944 1 13 . 1 . 1 13 13 GLY HA2 H 1 3.985 0.000 . 1 . . . . . -7 GLY HA2 . 50944 1 14 . 1 . 1 13 13 GLY HA3 H 1 3.985 0.000 . 1 . . . . . -7 GLY HA3 . 50944 1 15 . 1 . 1 13 13 GLY C C 13 173.876 0.014 . 1 . . . . . -7 GLY C . 50944 1 16 . 1 . 1 13 13 GLY CA C 13 45.180 0.077 . 1 . . . . . -7 GLY CA . 50944 1 17 . 1 . 1 13 13 GLY N N 15 110.780 0.022 . 1 . . . . . -7 GLY N . 50944 1 18 . 1 . 1 14 14 LEU H H 1 8.138 0.003 . 1 . . . . . -6 LEU H . 50944 1 19 . 1 . 1 14 14 LEU HA H 1 4.394 0.000 . 1 . . . . . -6 LEU HA . 50944 1 20 . 1 . 1 14 14 LEU HB2 H 1 1.624 0.000 . 1 . . . . . -6 LEU HB2 . 50944 1 21 . 1 . 1 14 14 LEU HB3 H 1 1.624 0.000 . 1 . . . . . -6 LEU HB3 . 50944 1 22 . 1 . 1 14 14 LEU HG H 1 1.620 0.000 . 1 . . . . . -6 LEU HG . 50944 1 23 . 1 . 1 14 14 LEU HD11 H 1 0.915 0.000 . 2 . . . . . -6 LEU HD11 . 50944 1 24 . 1 . 1 14 14 LEU HD12 H 1 0.915 0.000 . 2 . . . . . -6 LEU HD12 . 50944 1 25 . 1 . 1 14 14 LEU HD13 H 1 0.915 0.000 . 2 . . . . . -6 LEU HD13 . 50944 1 26 . 1 . 1 14 14 LEU HD21 H 1 0.925 0.000 . 2 . . . . . -6 LEU HD21 . 50944 1 27 . 1 . 1 14 14 LEU HD22 H 1 0.925 0.000 . 2 . . . . . -6 LEU HD22 . 50944 1 28 . 1 . 1 14 14 LEU HD23 H 1 0.925 0.000 . 2 . . . . . -6 LEU HD23 . 50944 1 29 . 1 . 1 14 14 LEU C C 13 177.285 0.004 . 1 . . . . . -6 LEU C . 50944 1 30 . 1 . 1 14 14 LEU CA C 13 55.112 0.005 . 1 . . . . . -6 LEU CA . 50944 1 31 . 1 . 1 14 14 LEU CB C 13 42.387 0.058 . 1 . . . . . -6 LEU CB . 50944 1 32 . 1 . 1 14 14 LEU CG C 13 26.968 0.000 . 1 . . . . . -6 LEU CG . 50944 1 33 . 1 . 1 14 14 LEU CD1 C 13 23.654 0.000 . 2 . . . . . -6 LEU CD1 . 50944 1 34 . 1 . 1 14 14 LEU CD2 C 13 25.090 0.000 . 2 . . . . . -6 LEU CD2 . 50944 1 35 . 1 . 1 14 14 LEU N N 15 121.685 0.018 . 1 . . . . . -6 LEU N . 50944 1 36 . 1 . 1 15 15 VAL H H 1 8.232 0.003 . 1 . . . . . -5 VAL H . 50944 1 37 . 1 . 1 15 15 VAL HA H 1 4.412 0.000 . 1 . . . . . -5 VAL HA . 50944 1 38 . 1 . 1 15 15 VAL HB H 1 2.079 0.000 . 1 . . . . . -5 VAL HB . 50944 1 39 . 1 . 1 15 15 VAL HG11 H 1 0.952 0.000 . 2 . . . . . -5 VAL HG11 . 50944 1 40 . 1 . 1 15 15 VAL HG12 H 1 0.952 0.000 . 2 . . . . . -5 VAL HG12 . 50944 1 41 . 1 . 1 15 15 VAL HG13 H 1 0.952 0.000 . 2 . . . . . -5 VAL HG13 . 50944 1 42 . 1 . 1 15 15 VAL HG21 H 1 0.960 0.000 . 2 . . . . . -5 VAL HG21 . 50944 1 43 . 1 . 1 15 15 VAL HG22 H 1 0.960 0.000 . 2 . . . . . -5 VAL HG22 . 50944 1 44 . 1 . 1 15 15 VAL HG23 H 1 0.960 0.000 . 2 . . . . . -5 VAL HG23 . 50944 1 45 . 1 . 1 15 15 VAL C C 13 174.437 0.000 . 1 . . . . . -5 VAL C . 50944 1 46 . 1 . 1 15 15 VAL CA C 13 59.857 0.011 . 1 . . . . . -5 VAL CA . 50944 1 47 . 1 . 1 15 15 VAL CB C 13 32.561 0.074 . 1 . . . . . -5 VAL CB . 50944 1 48 . 1 . 1 15 15 VAL CG1 C 13 20.291 0.000 . 2 . . . . . -5 VAL CG1 . 50944 1 49 . 1 . 1 15 15 VAL CG2 C 13 21.013 0.000 . 2 . . . . . -5 VAL CG2 . 50944 1 50 . 1 . 1 15 15 VAL N N 15 123.258 0.027 . 1 . . . . . -5 VAL N . 50944 1 51 . 1 . 1 16 16 PRO HA H 1 4.428 0.000 . 1 . . . . . -4 PRO HA . 50944 1 52 . 1 . 1 16 16 PRO HB2 H 1 1.928 0.000 . 2 . . . . . -4 PRO HB2 . 50944 1 53 . 1 . 1 16 16 PRO HB3 H 1 2.334 0.000 . 2 . . . . . -4 PRO HB3 . 50944 1 54 . 1 . 1 16 16 PRO HG2 H 1 2.076 0.000 . 1 . . . . . -4 PRO HG2 . 50944 1 55 . 1 . 1 16 16 PRO HG3 H 1 2.076 0.000 . 1 . . . . . -4 PRO HG3 . 50944 1 56 . 1 . 1 16 16 PRO HD2 H 1 3.726 0.000 . 2 . . . . . -4 PRO HD2 . 50944 1 57 . 1 . 1 16 16 PRO HD3 H 1 3.877 0.000 . 2 . . . . . -4 PRO HD3 . 50944 1 58 . 1 . 1 16 16 PRO C C 13 176.963 0.006 . 1 . . . . . -4 PRO C . 50944 1 59 . 1 . 1 16 16 PRO CA C 13 63.128 0.020 . 1 . . . . . -4 PRO CA . 50944 1 60 . 1 . 1 16 16 PRO CB C 13 32.157 0.061 . 1 . . . . . -4 PRO CB . 50944 1 61 . 1 . 1 16 16 PRO CG C 13 27.485 0.000 . 1 . . . . . -4 PRO CG . 50944 1 62 . 1 . 1 16 16 PRO CD C 13 51.141 0.013 . 1 . . . . . -4 PRO CD . 50944 1 63 . 1 . 1 17 17 ARG H H 1 8.598 0.003 . 1 . . . . . -3 ARG H . 50944 1 64 . 1 . 1 17 17 ARG HA H 1 4.316 0.000 . 1 . . . . . -3 ARG HA . 50944 1 65 . 1 . 1 17 17 ARG HB2 H 1 1.807 0.000 . 2 . . . . . -3 ARG HB2 . 50944 1 66 . 1 . 1 17 17 ARG HB3 H 1 1.885 0.000 . 2 . . . . . -3 ARG HB3 . 50944 1 67 . 1 . 1 17 17 ARG HG2 H 1 1.720 0.000 . 1 . . . . . -3 ARG HG2 . 50944 1 68 . 1 . 1 17 17 ARG HG3 H 1 1.720 0.000 . 1 . . . . . -3 ARG HG3 . 50944 1 69 . 1 . 1 17 17 ARG HD2 H 1 3.245 0.000 . 1 . . . . . -3 ARG HD2 . 50944 1 70 . 1 . 1 17 17 ARG HD3 H 1 3.245 0.000 . 1 . . . . . -3 ARG HD3 . 50944 1 71 . 1 . 1 17 17 ARG C C 13 177.125 0.016 . 1 . . . . . -3 ARG C . 50944 1 72 . 1 . 1 17 17 ARG CA C 13 56.371 0.072 . 1 . . . . . -3 ARG CA . 50944 1 73 . 1 . 1 17 17 ARG CB C 13 30.810 0.050 . 1 . . . . . -3 ARG CB . 50944 1 74 . 1 . 1 17 17 ARG CG C 13 26.985 0.000 . 1 . . . . . -3 ARG CG . 50944 1 75 . 1 . 1 17 17 ARG CD C 13 43.360 0.000 . 1 . . . . . -3 ARG CD . 50944 1 76 . 1 . 1 17 17 ARG N N 15 122.392 0.014 . 1 . . . . . -3 ARG N . 50944 1 77 . 1 . 1 18 18 GLY H H 1 8.581 0.004 . 1 . . . . . -2 GLY H . 50944 1 78 . 1 . 1 18 18 GLY HA2 H 1 4.030 0.000 . 1 . . . . . -2 GLY HA2 . 50944 1 79 . 1 . 1 18 18 GLY HA3 H 1 4.030 0.000 . 1 . . . . . -2 GLY HA3 . 50944 1 80 . 1 . 1 18 18 GLY C C 13 174.277 0.019 . 1 . . . . . -2 GLY C . 50944 1 81 . 1 . 1 18 18 GLY CA C 13 45.259 0.031 . 1 . . . . . -2 GLY CA . 50944 1 82 . 1 . 1 18 18 GLY N N 15 110.619 0.020 . 1 . . . . . -2 GLY N . 50944 1 83 . 1 . 1 19 19 SER H H 1 8.314 0.003 . 1 . . . . . -1 SER H . 50944 1 84 . 1 . 1 19 19 SER HA H 1 4.430 0.000 . 1 . . . . . -1 SER HA . 50944 1 85 . 1 . 1 19 19 SER HB2 H 1 3.851 0.000 . 1 . . . . . -1 SER HB2 . 50944 1 86 . 1 . 1 19 19 SER HB3 H 1 3.851 0.000 . 1 . . . . . -1 SER HB3 . 50944 1 87 . 1 . 1 19 19 SER C C 13 174.544 0.000 . 1 . . . . . -1 SER C . 50944 1 88 . 1 . 1 19 19 SER CA C 13 58.651 0.094 . 1 . . . . . -1 SER CA . 50944 1 89 . 1 . 1 19 19 SER CB C 13 63.727 0.092 . 1 . . . . . -1 SER CB . 50944 1 90 . 1 . 1 19 19 SER N N 15 115.833 0.006 . 1 . . . . . -1 SER N . 50944 1 91 . 1 . 1 20 20 HIS H H 1 8.564 0.005 . 1 . . . . . 0 HIS H . 50944 1 92 . 1 . 1 20 20 HIS HA H 1 4.668 0.000 . 1 . . . . . 0 HIS HA . 50944 1 93 . 1 . 1 20 20 HIS HB2 H 1 3.143 0.000 . 2 . . . . . 0 HIS HB2 . 50944 1 94 . 1 . 1 20 20 HIS HB3 H 1 3.199 0.000 . 2 . . . . . 0 HIS HB3 . 50944 1 95 . 1 . 1 20 20 HIS HE1 H 1 8.062 0.000 . 1 . . . . . 0 HIS HE1 . 50944 1 96 . 1 . 1 20 20 HIS C C 13 175.078 0.002 . 1 . . . . . 0 HIS C . 50944 1 97 . 1 . 1 20 20 HIS CA C 13 56.221 0.023 . 1 . . . . . 0 HIS CA . 50944 1 98 . 1 . 1 20 20 HIS CB C 13 30.024 0.071 . 1 . . . . . 0 HIS CB . 50944 1 99 . 1 . 1 20 20 HIS CE1 C 13 137.697 0.000 . 1 . . . . . 0 HIS CE1 . 50944 1 100 . 1 . 1 20 20 HIS N N 15 121.235 0.051 . 1 . . . . . 0 HIS N . 50944 1 101 . 1 . 1 21 21 MET H H 1 8.276 0.003 . 1 . . . . . 1 MET H . 50944 1 102 . 1 . 1 21 21 MET HA H 1 4.447 0.000 . 1 . . . . . 1 MET HA . 50944 1 103 . 1 . 1 21 21 MET HB2 H 1 1.959 0.000 . 2 . . . . . 1 MET HB2 . 50944 1 104 . 1 . 1 21 21 MET HB3 H 1 2.064 0.000 . 2 . . . . . 1 MET HB3 . 50944 1 105 . 1 . 1 21 21 MET HG2 H 1 2.448 0.000 . 2 . . . . . 1 MET HG2 . 50944 1 106 . 1 . 1 21 21 MET HG3 H 1 2.529 0.000 . 2 . . . . . 1 MET HG3 . 50944 1 107 . 1 . 1 21 21 MET HE1 H 1 2.115 0.000 . 1 . . . . . 1 MET HE1 . 50944 1 108 . 1 . 1 21 21 MET HE2 H 1 2.115 0.000 . 1 . . . . . 1 MET HE2 . 50944 1 109 . 1 . 1 21 21 MET HE3 H 1 2.115 0.000 . 1 . . . . . 1 MET HE3 . 50944 1 110 . 1 . 1 21 21 MET C C 13 175.779 0.016 . 1 . . . . . 1 MET C . 50944 1 111 . 1 . 1 21 21 MET CA C 13 55.289 0.038 . 1 . . . . . 1 MET CA . 50944 1 112 . 1 . 1 21 21 MET CB C 13 32.846 0.014 . 1 . . . . . 1 MET CB . 50944 1 113 . 1 . 1 21 21 MET CG C 13 31.884 0.016 . 1 . . . . . 1 MET CG . 50944 1 114 . 1 . 1 21 21 MET CE C 13 16.918 0.000 . 1 . . . . . 1 MET CE . 50944 1 115 . 1 . 1 21 21 MET N N 15 121.660 0.011 . 1 . . . . . 1 MET N . 50944 1 116 . 1 . 1 22 22 ALA H H 1 8.348 0.002 . 1 . . . . . 2 ALA H . 50944 1 117 . 1 . 1 22 22 ALA HA H 1 4.305 0.000 . 1 . . . . . 2 ALA HA . 50944 1 118 . 1 . 1 22 22 ALA HB1 H 1 1.409 0.000 . 1 . . . . . 2 ALA HB1 . 50944 1 119 . 1 . 1 22 22 ALA HB2 H 1 1.409 0.000 . 1 . . . . . 2 ALA HB2 . 50944 1 120 . 1 . 1 22 22 ALA HB3 H 1 1.409 0.000 . 1 . . . . . 2 ALA HB3 . 50944 1 121 . 1 . 1 22 22 ALA C C 13 177.544 0.004 . 1 . . . . . 2 ALA C . 50944 1 122 . 1 . 1 22 22 ALA CA C 13 52.403 0.091 . 1 . . . . . 2 ALA CA . 50944 1 123 . 1 . 1 22 22 ALA CB C 13 19.227 0.007 . 1 . . . . . 2 ALA CB . 50944 1 124 . 1 . 1 22 22 ALA N N 15 125.660 0.020 . 1 . . . . . 2 ALA N . 50944 1 125 . 1 . 1 23 23 LYS H H 1 8.380 0.001 . 1 . . . . . 3 LYS H . 50944 1 126 . 1 . 1 23 23 LYS HA H 1 4.431 0.000 . 1 . . . . . 3 LYS HA . 50944 1 127 . 1 . 1 23 23 LYS HB2 H 1 1.763 0.000 . 2 . . . . . 3 LYS HB2 . 50944 1 128 . 1 . 1 23 23 LYS HB3 H 1 1.845 0.000 . 2 . . . . . 3 LYS HB3 . 50944 1 129 . 1 . 1 23 23 LYS HG2 H 1 1.457 0.000 . 1 . . . . . 3 LYS HG2 . 50944 1 130 . 1 . 1 23 23 LYS HG3 H 1 1.457 0.000 . 1 . . . . . 3 LYS HG3 . 50944 1 131 . 1 . 1 23 23 LYS HD2 H 1 1.719 0.000 . 1 . . . . . 3 LYS HD2 . 50944 1 132 . 1 . 1 23 23 LYS HD3 H 1 1.719 0.000 . 1 . . . . . 3 LYS HD3 . 50944 1 133 . 1 . 1 23 23 LYS HE2 H 1 3.035 0.000 . 1 . . . . . 3 LYS HE2 . 50944 1 134 . 1 . 1 23 23 LYS HE3 H 1 3.035 0.000 . 1 . . . . . 3 LYS HE3 . 50944 1 135 . 1 . 1 23 23 LYS C C 13 176.646 0.010 . 1 . . . . . 3 LYS C . 50944 1 136 . 1 . 1 23 23 LYS CA C 13 56.211 0.052 . 1 . . . . . 3 LYS CA . 50944 1 137 . 1 . 1 23 23 LYS CB C 13 33.081 0.057 . 1 . . . . . 3 LYS CB . 50944 1 138 . 1 . 1 23 23 LYS CG C 13 24.801 0.000 . 1 . . . . . 3 LYS CG . 50944 1 139 . 1 . 1 23 23 LYS CD C 13 29.058 0.000 . 1 . . . . . 3 LYS CD . 50944 1 140 . 1 . 1 23 23 LYS CE C 13 42.132 0.000 . 1 . . . . . 3 LYS CE . 50944 1 141 . 1 . 1 23 23 LYS N N 15 121.497 0.056 . 1 . . . . . 3 LYS N . 50944 1 142 . 1 . 1 24 24 VAL H H 1 8.360 0.001 . 1 . . . . . 4 VAL H . 50944 1 143 . 1 . 1 24 24 VAL HA H 1 4.221 0.000 . 1 . . . . . 4 VAL HA . 50944 1 144 . 1 . 1 24 24 VAL HB H 1 2.109 0.000 . 1 . . . . . 4 VAL HB . 50944 1 145 . 1 . 1 24 24 VAL HG11 H 1 0.968 0.000 . 2 . . . . . 4 VAL HG11 . 50944 1 146 . 1 . 1 24 24 VAL HG12 H 1 0.968 0.000 . 2 . . . . . 4 VAL HG12 . 50944 1 147 . 1 . 1 24 24 VAL HG13 H 1 0.968 0.000 . 2 . . . . . 4 VAL HG13 . 50944 1 148 . 1 . 1 24 24 VAL HG21 H 1 0.969 0.000 . 2 . . . . . 4 VAL HG21 . 50944 1 149 . 1 . 1 24 24 VAL HG22 H 1 0.969 0.000 . 2 . . . . . 4 VAL HG22 . 50944 1 150 . 1 . 1 24 24 VAL HG23 H 1 0.969 0.000 . 2 . . . . . 4 VAL HG23 . 50944 1 151 . 1 . 1 24 24 VAL C C 13 176.446 0.003 . 1 . . . . . 4 VAL C . 50944 1 152 . 1 . 1 24 24 VAL CA C 13 62.319 0.041 . 1 . . . . . 4 VAL CA . 50944 1 153 . 1 . 1 24 24 VAL CB C 13 32.782 0.061 . 1 . . . . . 4 VAL CB . 50944 1 154 . 1 . 1 24 24 VAL CG1 C 13 20.575 0.000 . 2 . . . . . 4 VAL CG1 . 50944 1 155 . 1 . 1 24 24 VAL CG2 C 13 21.270 0.000 . 2 . . . . . 4 VAL CG2 . 50944 1 156 . 1 . 1 24 24 VAL N N 15 122.575 0.025 . 1 . . . . . 4 VAL N . 50944 1 157 . 1 . 1 25 25 THR H H 1 8.386 0.002 . 1 . . . . . 5 THR H . 50944 1 158 . 1 . 1 25 25 THR HA H 1 4.446 0.000 . 1 . . . . . 5 THR HA . 50944 1 159 . 1 . 1 25 25 THR HB H 1 4.246 0.000 . 1 . . . . . 5 THR HB . 50944 1 160 . 1 . 1 25 25 THR HG21 H 1 1.226 0.000 . 1 . . . . . 5 THR HG21 . 50944 1 161 . 1 . 1 25 25 THR HG22 H 1 1.226 0.000 . 1 . . . . . 5 THR HG22 . 50944 1 162 . 1 . 1 25 25 THR HG23 H 1 1.226 0.000 . 1 . . . . . 5 THR HG23 . 50944 1 163 . 1 . 1 25 25 THR C C 13 174.287 0.005 . 1 . . . . . 5 THR C . 50944 1 164 . 1 . 1 25 25 THR CA C 13 61.625 0.049 . 1 . . . . . 5 THR CA . 50944 1 165 . 1 . 1 25 25 THR CB C 13 69.893 0.023 . 1 . . . . . 5 THR CB . 50944 1 166 . 1 . 1 25 25 THR CG2 C 13 21.502 0.000 . 1 . . . . . 5 THR CG2 . 50944 1 167 . 1 . 1 25 25 THR N N 15 118.706 0.021 . 1 . . . . . 5 THR N . 50944 1 168 . 1 . 1 26 26 SER H H 1 8.405 0.003 . 1 . . . . . 6 SER H . 50944 1 169 . 1 . 1 26 26 SER HA H 1 4.518 0.000 . 1 . . . . . 6 SER HA . 50944 1 170 . 1 . 1 26 26 SER HB2 H 1 3.863 0.000 . 1 . . . . . 6 SER HB2 . 50944 1 171 . 1 . 1 26 26 SER HB3 H 1 3.863 0.000 . 1 . . . . . 6 SER HB3 . 50944 1 172 . 1 . 1 26 26 SER C C 13 174.006 0.030 . 1 . . . . . 6 SER C . 50944 1 173 . 1 . 1 26 26 SER CA C 13 58.084 0.052 . 1 . . . . . 6 SER CA . 50944 1 174 . 1 . 1 26 26 SER CB C 13 63.941 0.040 . 1 . . . . . 6 SER CB . 50944 1 175 . 1 . 1 26 26 SER N N 15 118.524 0.018 . 1 . . . . . 6 SER N . 50944 1 176 . 1 . 1 27 27 GLU H H 1 8.477 0.004 . 1 . . . . . 7 GLU H . 50944 1 177 . 1 . 1 27 27 GLU HA H 1 4.640 0.000 . 1 . . . . . 7 GLU HA . 50944 1 178 . 1 . 1 27 27 GLU HB2 H 1 2.002 0.000 . 2 . . . . . 7 GLU HB2 . 50944 1 179 . 1 . 1 27 27 GLU HB3 H 1 2.091 0.000 . 2 . . . . . 7 GLU HB3 . 50944 1 180 . 1 . 1 27 27 GLU HG2 H 1 2.313 0.000 . 1 . . . . . 7 GLU HG2 . 50944 1 181 . 1 . 1 27 27 GLU HG3 H 1 2.313 0.000 . 1 . . . . . 7 GLU HG3 . 50944 1 182 . 1 . 1 27 27 GLU C C 13 174.478 0.000 . 1 . . . . . 7 GLU C . 50944 1 183 . 1 . 1 27 27 GLU CA C 13 54.293 0.086 . 1 . . . . . 7 GLU CA . 50944 1 184 . 1 . 1 27 27 GLU CB C 13 29.998 0.043 . 1 . . . . . 7 GLU CB . 50944 1 185 . 1 . 1 27 27 GLU CG C 13 35.930 0.000 . 1 . . . . . 7 GLU CG . 50944 1 186 . 1 . 1 27 27 GLU N N 15 124.159 0.025 . 1 . . . . . 7 GLU N . 50944 1 187 . 1 . 1 28 28 PRO HA H 1 4.416 0.000 . 1 . . . . . 8 PRO HA . 50944 1 188 . 1 . 1 28 28 PRO HB2 H 1 1.890 0.000 . 2 . . . . . 8 PRO HB2 . 50944 1 189 . 1 . 1 28 28 PRO HB3 H 1 2.300 0.000 . 2 . . . . . 8 PRO HB3 . 50944 1 190 . 1 . 1 28 28 PRO HG2 H 1 2.043 0.000 . 1 . . . . . 8 PRO HG2 . 50944 1 191 . 1 . 1 28 28 PRO HG3 H 1 2.043 0.000 . 1 . . . . . 8 PRO HG3 . 50944 1 192 . 1 . 1 28 28 PRO HD2 H 1 3.850 0.000 . 2 . . . . . 8 PRO HD2 . 50944 1 193 . 1 . 1 28 28 PRO HD3 H 1 3.678 0.000 . 2 . . . . . 8 PRO HD3 . 50944 1 194 . 1 . 1 28 28 PRO C C 13 176.849 0.006 . 1 . . . . . 8 PRO C . 50944 1 195 . 1 . 1 28 28 PRO CA C 13 63.133 0.017 . 1 . . . . . 8 PRO CA . 50944 1 196 . 1 . 1 28 28 PRO CB C 13 32.129 0.052 . 1 . . . . . 8 PRO CB . 50944 1 197 . 1 . 1 28 28 PRO CG C 13 27.488 0.000 . 1 . . . . . 8 PRO CG . 50944 1 198 . 1 . 1 28 28 PRO CD C 13 50.703 0.010 . 1 . . . . . 8 PRO CD . 50944 1 199 . 1 . 1 29 29 GLN H H 1 8.611 0.004 . 1 . . . . . 9 GLN H . 50944 1 200 . 1 . 1 29 29 GLN HA H 1 4.301 0.000 . 1 . . . . . 9 GLN HA . 50944 1 201 . 1 . 1 29 29 GLN HB2 H 1 1.985 0.000 . 2 . . . . . 9 GLN HB2 . 50944 1 202 . 1 . 1 29 29 GLN HB3 H 1 2.087 0.000 . 2 . . . . . 9 GLN HB3 . 50944 1 203 . 1 . 1 29 29 GLN HG2 H 1 2.422 0.000 . 1 . . . . . 9 GLN HG2 . 50944 1 204 . 1 . 1 29 29 GLN HG3 H 1 2.422 0.000 . 1 . . . . . 9 GLN HG3 . 50944 1 205 . 1 . 1 29 29 GLN C C 13 175.932 0.006 . 1 . . . . . 9 GLN C . 50944 1 206 . 1 . 1 29 29 GLN CA C 13 55.563 0.035 . 1 . . . . . 9 GLN CA . 50944 1 207 . 1 . 1 29 29 GLN CB C 13 29.677 0.008 . 1 . . . . . 9 GLN CB . 50944 1 208 . 1 . 1 29 29 GLN CG C 13 33.874 0.000 . 1 . . . . . 9 GLN CG . 50944 1 209 . 1 . 1 29 29 GLN N N 15 121.235 0.026 . 1 . . . . . 9 GLN N . 50944 1 210 . 1 . 1 30 30 LYS H H 1 8.565 0.002 . 1 . . . . . 10 LYS H . 50944 1 211 . 1 . 1 30 30 LYS HA H 1 4.625 0.000 . 1 . . . . . 10 LYS HA . 50944 1 212 . 1 . 1 30 30 LYS HB2 H 1 1.744 0.000 . 2 . . . . . 10 LYS HB2 . 50944 1 213 . 1 . 1 30 30 LYS HB3 H 1 1.855 0.000 . 2 . . . . . 10 LYS HB3 . 50944 1 214 . 1 . 1 30 30 LYS HG2 H 1 1.501 0.000 . 1 . . . . . 10 LYS HG2 . 50944 1 215 . 1 . 1 30 30 LYS HG3 H 1 1.501 0.000 . 1 . . . . . 10 LYS HG3 . 50944 1 216 . 1 . 1 30 30 LYS HD2 H 1 1.735 0.000 . 1 . . . . . 10 LYS HD2 . 50944 1 217 . 1 . 1 30 30 LYS HD3 H 1 1.735 0.000 . 1 . . . . . 10 LYS HD3 . 50944 1 218 . 1 . 1 30 30 LYS HE2 H 1 3.014 0.000 . 1 . . . . . 10 LYS HE2 . 50944 1 219 . 1 . 1 30 30 LYS HE3 H 1 3.014 0.000 . 1 . . . . . 10 LYS HE3 . 50944 1 220 . 1 . 1 30 30 LYS C C 13 174.620 0.000 . 1 . . . . . 10 LYS C . 50944 1 221 . 1 . 1 30 30 LYS CA C 13 54.345 0.017 . 1 . . . . . 10 LYS CA . 50944 1 222 . 1 . 1 30 30 LYS CB C 13 32.495 0.008 . 1 . . . . . 10 LYS CB . 50944 1 223 . 1 . 1 30 30 LYS CG C 13 24.699 0.000 . 1 . . . . . 10 LYS CG . 50944 1 224 . 1 . 1 30 30 LYS CD C 13 29.167 0.000 . 1 . . . . . 10 LYS CD . 50944 1 225 . 1 . 1 30 30 LYS CE C 13 42.166 0.000 . 1 . . . . . 10 LYS CE . 50944 1 226 . 1 . 1 30 30 LYS N N 15 124.871 0.015 . 1 . . . . . 10 LYS N . 50944 1 227 . 1 . 1 31 31 PRO HA H 1 4.415 0.000 . 1 . . . . . 11 PRO HA . 50944 1 228 . 1 . 1 31 31 PRO HB2 H 1 1.899 0.000 . 2 . . . . . 11 PRO HB2 . 50944 1 229 . 1 . 1 31 31 PRO HB3 H 1 2.311 0.000 . 2 . . . . . 11 PRO HB3 . 50944 1 230 . 1 . 1 31 31 PRO HG2 H 1 2.036 0.000 . 1 . . . . . 11 PRO HG2 . 50944 1 231 . 1 . 1 31 31 PRO HG3 H 1 2.036 0.000 . 1 . . . . . 11 PRO HG3 . 50944 1 232 . 1 . 1 31 31 PRO HD2 H 1 3.701 0.000 . 2 . . . . . 11 PRO HD2 . 50944 1 233 . 1 . 1 31 31 PRO HD3 H 1 3.838 0.000 . 2 . . . . . 11 PRO HD3 . 50944 1 234 . 1 . 1 31 31 PRO C C 13 176.655 0.005 . 1 . . . . . 11 PRO C . 50944 1 235 . 1 . 1 31 31 PRO CA C 13 63.264 0.084 . 1 . . . . . 11 PRO CA . 50944 1 236 . 1 . 1 31 31 PRO CB C 13 32.117 0.063 . 1 . . . . . 11 PRO CB . 50944 1 237 . 1 . 1 31 31 PRO CG C 13 27.501 0.000 . 1 . . . . . 11 PRO CG . 50944 1 238 . 1 . 1 31 31 PRO CD C 13 50.689 0.008 . 1 . . . . . 11 PRO CD . 50944 1 239 . 1 . 1 32 32 ASN H H 1 8.630 0.004 . 1 . . . . . 12 ASN H . 50944 1 240 . 1 . 1 32 32 ASN HA H 1 4.668 0.000 . 1 . . . . . 12 ASN HA . 50944 1 241 . 1 . 1 32 32 ASN HB2 H 1 2.791 0.000 . 2 . . . . . 12 ASN HB2 . 50944 1 242 . 1 . 1 32 32 ASN HB3 H 1 2.859 0.000 . 2 . . . . . 12 ASN HB3 . 50944 1 243 . 1 . 1 32 32 ASN C C 13 175.304 0.004 . 1 . . . . . 12 ASN C . 50944 1 244 . 1 . 1 32 32 ASN CA C 13 53.434 0.041 . 1 . . . . . 12 ASN CA . 50944 1 245 . 1 . 1 32 32 ASN CB C 13 38.876 0.051 . 1 . . . . . 12 ASN CB . 50944 1 246 . 1 . 1 32 32 ASN N N 15 119.137 0.007 . 1 . . . . . 12 ASN N . 50944 1 247 . 1 . 1 33 33 GLU H H 1 8.479 0.002 . 1 . . . . . 13 GLU H . 50944 1 248 . 1 . 1 33 33 GLU HA H 1 4.325 0.000 . 1 . . . . . 13 GLU HA . 50944 1 249 . 1 . 1 33 33 GLU HB2 H 1 1.928 0.000 . 2 . . . . . 13 GLU HB2 . 50944 1 250 . 1 . 1 33 33 GLU HB3 H 1 2.105 0.000 . 2 . . . . . 13 GLU HB3 . 50944 1 251 . 1 . 1 33 33 GLU HG2 H 1 2.274 0.000 . 1 . . . . . 13 GLU HG2 . 50944 1 252 . 1 . 1 33 33 GLU HG3 H 1 2.274 0.000 . 1 . . . . . 13 GLU HG3 . 50944 1 253 . 1 . 1 33 33 GLU C C 13 176.038 0.003 . 1 . . . . . 13 GLU C . 50944 1 254 . 1 . 1 33 33 GLU CA C 13 56.479 0.031 . 1 . . . . . 13 GLU CA . 50944 1 255 . 1 . 1 33 33 GLU CB C 13 30.498 0.027 . 1 . . . . . 13 GLU CB . 50944 1 256 . 1 . 1 33 33 GLU CG C 13 36.326 0.000 . 1 . . . . . 13 GLU CG . 50944 1 257 . 1 . 1 33 33 GLU N N 15 121.481 0.006 . 1 . . . . . 13 GLU N . 50944 1 258 . 1 . 1 34 34 ASP H H 1 8.481 0.003 . 1 . . . . . 14 ASP H . 50944 1 259 . 1 . 1 34 34 ASP HA H 1 4.661 0.000 . 1 . . . . . 14 ASP HA . 50944 1 260 . 1 . 1 34 34 ASP HB2 H 1 2.614 0.000 . 2 . . . . . 14 ASP HB2 . 50944 1 261 . 1 . 1 34 34 ASP HB3 H 1 2.755 0.000 . 2 . . . . . 14 ASP HB3 . 50944 1 262 . 1 . 1 34 34 ASP C C 13 176.282 0.009 . 1 . . . . . 14 ASP C . 50944 1 263 . 1 . 1 34 34 ASP CA C 13 54.385 0.081 . 1 . . . . . 14 ASP CA . 50944 1 264 . 1 . 1 34 34 ASP CB C 13 41.069 0.023 . 1 . . . . . 14 ASP CB . 50944 1 265 . 1 . 1 34 34 ASP N N 15 121.782 0.019 . 1 . . . . . 14 ASP N . 50944 1 266 . 1 . 1 35 35 VAL H H 1 8.123 0.002 . 1 . . . . . 15 VAL H . 50944 1 267 . 1 . 1 35 35 VAL HA H 1 4.145 0.000 . 1 . . . . . 15 VAL HA . 50944 1 268 . 1 . 1 35 35 VAL HB H 1 2.130 0.000 . 1 . . . . . 15 VAL HB . 50944 1 269 . 1 . 1 35 35 VAL HG11 H 1 0.934 0.000 . 2 . . . . . 15 VAL HG11 . 50944 1 270 . 1 . 1 35 35 VAL HG12 H 1 0.934 0.000 . 2 . . . . . 15 VAL HG12 . 50944 1 271 . 1 . 1 35 35 VAL HG13 H 1 0.934 0.000 . 2 . . . . . 15 VAL HG13 . 50944 1 272 . 1 . 1 35 35 VAL HG21 H 1 0.939 0.000 . 2 . . . . . 15 VAL HG21 . 50944 1 273 . 1 . 1 35 35 VAL HG22 H 1 0.939 0.000 . 2 . . . . . 15 VAL HG22 . 50944 1 274 . 1 . 1 35 35 VAL HG23 H 1 0.939 0.000 . 2 . . . . . 15 VAL HG23 . 50944 1 275 . 1 . 1 35 35 VAL C C 13 175.954 0.011 . 1 . . . . . 15 VAL C . 50944 1 276 . 1 . 1 35 35 VAL CA C 13 62.210 0.031 . 1 . . . . . 15 VAL CA . 50944 1 277 . 1 . 1 35 35 VAL CB C 13 33.027 0.030 . 1 . . . . . 15 VAL CB . 50944 1 278 . 1 . 1 35 35 VAL CG1 C 13 20.346 0.000 . 2 . . . . . 15 VAL CG1 . 50944 1 279 . 1 . 1 35 35 VAL CG2 C 13 21.243 0.000 . 2 . . . . . 15 VAL CG2 . 50944 1 280 . 1 . 1 35 35 VAL N N 15 119.862 0.035 . 1 . . . . . 15 VAL N . 50944 1 281 . 1 . 1 36 36 ASP H H 1 8.480 0.002 . 1 . . . . . 16 ASP H . 50944 1 282 . 1 . 1 36 36 ASP HA H 1 4.652 0.000 . 1 . . . . . 16 ASP HA . 50944 1 283 . 1 . 1 36 36 ASP HB2 H 1 2.758 0.000 . 2 . . . . . 16 ASP HB2 . 50944 1 284 . 1 . 1 36 36 ASP HB3 H 1 2.620 0.000 . 2 . . . . . 16 ASP HB3 . 50944 1 285 . 1 . 1 36 36 ASP C C 13 176.343 0.012 . 1 . . . . . 16 ASP C . 50944 1 286 . 1 . 1 36 36 ASP CA C 13 54.441 0.017 . 1 . . . . . 16 ASP CA . 50944 1 287 . 1 . 1 36 36 ASP CB C 13 41.270 0.050 . 1 . . . . . 16 ASP CB . 50944 1 288 . 1 . 1 36 36 ASP N N 15 123.918 0.019 . 1 . . . . . 16 ASP N . 50944 1 289 . 1 . 1 37 37 GLU H H 1 8.439 0.004 . 1 . . . . . 17 GLU H . 50944 1 290 . 1 . 1 37 37 GLU HA H 1 4.285 0.000 . 1 . . . . . 17 GLU HA . 50944 1 291 . 1 . 1 37 37 GLU HB2 H 1 1.967 0.000 . 2 . . . . . 17 GLU HB2 . 50944 1 292 . 1 . 1 37 37 GLU HB3 H 1 2.099 0.000 . 2 . . . . . 17 GLU HB3 . 50944 1 293 . 1 . 1 37 37 GLU HG2 H 1 2.297 0.000 . 1 . . . . . 17 GLU HG2 . 50944 1 294 . 1 . 1 37 37 GLU HG3 H 1 2.297 0.000 . 1 . . . . . 17 GLU HG3 . 50944 1 295 . 1 . 1 37 37 GLU C C 13 176.524 0.006 . 1 . . . . . 17 GLU C . 50944 1 296 . 1 . 1 37 37 GLU CA C 13 56.657 0.069 . 1 . . . . . 17 GLU CA . 50944 1 297 . 1 . 1 37 37 GLU CB C 13 30.285 0.021 . 1 . . . . . 17 GLU CB . 50944 1 298 . 1 . 1 37 37 GLU CG C 13 36.264 0.000 . 1 . . . . . 17 GLU CG . 50944 1 299 . 1 . 1 37 37 GLU N N 15 121.780 0.050 . 1 . . . . . 17 GLU N . 50944 1 300 . 1 . 1 38 38 GLN H H 1 8.515 0.002 . 1 . . . . . 18 GLN H . 50944 1 301 . 1 . 1 38 38 GLN HA H 1 4.373 0.000 . 1 . . . . . 18 GLN HA . 50944 1 302 . 1 . 1 38 38 GLN HB2 H 1 2.025 0.000 . 2 . . . . . 18 GLN HB2 . 50944 1 303 . 1 . 1 38 38 GLN HB3 H 1 2.149 0.000 . 2 . . . . . 18 GLN HB3 . 50944 1 304 . 1 . 1 38 38 GLN HG2 H 1 2.398 0.000 . 1 . . . . . 18 GLN HG2 . 50944 1 305 . 1 . 1 38 38 GLN HG3 H 1 2.398 0.000 . 1 . . . . . 18 GLN HG3 . 50944 1 306 . 1 . 1 38 38 GLN C C 13 176.103 0.003 . 1 . . . . . 18 GLN C . 50944 1 307 . 1 . 1 38 38 GLN CA C 13 55.900 0.042 . 1 . . . . . 18 GLN CA . 50944 1 308 . 1 . 1 38 38 GLN CB C 13 29.444 0.041 . 1 . . . . . 18 GLN CB . 50944 1 309 . 1 . 1 38 38 GLN CG C 13 33.975 0.000 . 1 . . . . . 18 GLN CG . 50944 1 310 . 1 . 1 38 38 GLN N N 15 121.040 0.029 . 1 . . . . . 18 GLN N . 50944 1 311 . 1 . 1 39 39 THR H H 1 8.284 0.001 . 1 . . . . . 19 THR H . 50944 1 312 . 1 . 1 39 39 THR HA H 1 4.600 0.000 . 1 . . . . . 19 THR HA . 50944 1 313 . 1 . 1 39 39 THR HB H 1 4.171 0.000 . 1 . . . . . 19 THR HB . 50944 1 314 . 1 . 1 39 39 THR HG21 H 1 1.272 0.000 . 1 . . . . . 19 THR HG21 . 50944 1 315 . 1 . 1 39 39 THR HG22 H 1 1.272 0.000 . 1 . . . . . 19 THR HG22 . 50944 1 316 . 1 . 1 39 39 THR HG23 H 1 1.272 0.000 . 1 . . . . . 19 THR HG23 . 50944 1 317 . 1 . 1 39 39 THR C C 13 172.899 0.000 . 1 . . . . . 19 THR C . 50944 1 318 . 1 . 1 39 39 THR CA C 13 60.114 0.010 . 1 . . . . . 19 THR CA . 50944 1 319 . 1 . 1 39 39 THR CB C 13 69.668 0.012 . 1 . . . . . 19 THR CB . 50944 1 320 . 1 . 1 39 39 THR CG2 C 13 21.559 0.000 . 1 . . . . . 19 THR CG2 . 50944 1 321 . 1 . 1 39 39 THR N N 15 118.080 0.016 . 1 . . . . . 19 THR N . 50944 1 322 . 1 . 1 40 40 PRO HA H 1 4.478 0.000 . 1 . . . . . 20 PRO HA . 50944 1 323 . 1 . 1 40 40 PRO HB2 H 1 1.943 0.000 . 2 . . . . . 20 PRO HB2 . 50944 1 324 . 1 . 1 40 40 PRO HB3 H 1 2.347 0.000 . 2 . . . . . 20 PRO HB3 . 50944 1 325 . 1 . 1 40 40 PRO HG2 H 1 2.051 0.000 . 1 . . . . . 20 PRO HG2 . 50944 1 326 . 1 . 1 40 40 PRO HG3 H 1 2.051 0.000 . 1 . . . . . 20 PRO HG3 . 50944 1 327 . 1 . 1 40 40 PRO HD2 H 1 3.754 0.000 . 2 . . . . . 20 PRO HD2 . 50944 1 328 . 1 . 1 40 40 PRO HD3 H 1 3.903 0.000 . 2 . . . . . 20 PRO HD3 . 50944 1 329 . 1 . 1 40 40 PRO C C 13 177.234 0.014 . 1 . . . . . 20 PRO C . 50944 1 330 . 1 . 1 40 40 PRO CA C 13 63.432 0.041 . 1 . . . . . 20 PRO CA . 50944 1 331 . 1 . 1 40 40 PRO CB C 13 32.137 0.014 . 1 . . . . . 20 PRO CB . 50944 1 332 . 1 . 1 40 40 PRO CG C 13 27.540 0.000 . 1 . . . . . 20 PRO CG . 50944 1 333 . 1 . 1 40 40 PRO CD C 13 51.154 0.000 . 1 . . . . . 20 PRO CD . 50944 1 334 . 1 . 1 41 41 SER H H 1 8.612 0.002 . 1 . . . . . 21 SER H . 50944 1 335 . 1 . 1 41 41 SER HA H 1 4.526 0.000 . 1 . . . . . 21 SER HA . 50944 1 336 . 1 . 1 41 41 SER HB2 H 1 3.908 0.000 . 2 . . . . . 21 SER HB2 . 50944 1 337 . 1 . 1 41 41 SER HB3 H 1 3.981 0.000 . 2 . . . . . 21 SER HB3 . 50944 1 338 . 1 . 1 41 41 SER C C 13 175.297 0.013 . 1 . . . . . 21 SER C . 50944 1 339 . 1 . 1 41 41 SER CA C 13 58.549 0.053 . 1 . . . . . 21 SER CA . 50944 1 340 . 1 . 1 41 41 SER CB C 13 63.727 0.030 . 1 . . . . . 21 SER CB . 50944 1 341 . 1 . 1 41 41 SER N N 15 116.437 0.026 . 1 . . . . . 21 SER N . 50944 1 342 . 1 . 1 42 42 THR H H 1 8.289 0.003 . 1 . . . . . 22 THR H . 50944 1 343 . 1 . 1 42 42 THR HA H 1 4.439 0.000 . 1 . . . . . 22 THR HA . 50944 1 344 . 1 . 1 42 42 THR HB H 1 4.377 0.000 . 1 . . . . . 22 THR HB . 50944 1 345 . 1 . 1 42 42 THR HG21 H 1 1.263 0.000 . 1 . . . . . 22 THR HG21 . 50944 1 346 . 1 . 1 42 42 THR HG22 H 1 1.263 0.000 . 1 . . . . . 22 THR HG22 . 50944 1 347 . 1 . 1 42 42 THR HG23 H 1 1.263 0.000 . 1 . . . . . 22 THR HG23 . 50944 1 348 . 1 . 1 42 42 THR C C 13 174.940 0.012 . 1 . . . . . 22 THR C . 50944 1 349 . 1 . 1 42 42 THR CA C 13 62.013 0.028 . 1 . . . . . 22 THR CA . 50944 1 350 . 1 . 1 42 42 THR CB C 13 69.721 0.028 . 1 . . . . . 22 THR CB . 50944 1 351 . 1 . 1 42 42 THR CG2 C 13 21.572 0.000 . 1 . . . . . 22 THR CG2 . 50944 1 352 . 1 . 1 42 42 THR N N 15 115.408 0.046 . 1 . . . . . 22 THR N . 50944 1 353 . 1 . 1 43 43 SER H H 1 8.371 0.002 . 1 . . . . . 23 SER H . 50944 1 354 . 1 . 1 43 43 SER HA H 1 4.511 0.000 . 1 . . . . . 23 SER HA . 50944 1 355 . 1 . 1 43 43 SER HB2 H 1 3.888 0.000 . 2 . . . . . 23 SER HB2 . 50944 1 356 . 1 . 1 43 43 SER HB3 H 1 3.951 0.000 . 2 . . . . . 23 SER HB3 . 50944 1 357 . 1 . 1 43 43 SER C C 13 174.926 0.012 . 1 . . . . . 23 SER C . 50944 1 358 . 1 . 1 43 43 SER CA C 13 58.694 0.035 . 1 . . . . . 23 SER CA . 50944 1 359 . 1 . 1 43 43 SER CB C 13 63.780 0.027 . 1 . . . . . 23 SER CB . 50944 1 360 . 1 . 1 43 43 SER N N 15 117.564 0.015 . 1 . . . . . 23 SER N . 50944 1 361 . 1 . 1 44 44 SER H H 1 8.436 0.003 . 1 . . . . . 24 SER H . 50944 1 362 . 1 . 1 44 44 SER HA H 1 4.474 0.000 . 1 . . . . . 24 SER HA . 50944 1 363 . 1 . 1 44 44 SER HB2 H 1 3.910 0.000 . 1 . . . . . 24 SER HB2 . 50944 1 364 . 1 . 1 44 44 SER HB3 H 1 3.910 0.000 . 1 . . . . . 24 SER HB3 . 50944 1 365 . 1 . 1 44 44 SER C C 13 175.164 0.018 . 1 . . . . . 24 SER C . 50944 1 366 . 1 . 1 44 44 SER CA C 13 58.655 0.091 . 1 . . . . . 24 SER CA . 50944 1 367 . 1 . 1 44 44 SER CB C 13 63.748 0.062 . 1 . . . . . 24 SER CB . 50944 1 368 . 1 . 1 44 44 SER N N 15 117.979 0.020 . 1 . . . . . 24 SER N . 50944 1 369 . 1 . 1 45 45 THR H H 1 8.270 0.002 . 1 . . . . . 25 THR H . 50944 1 370 . 1 . 1 45 45 THR HA H 1 4.367 0.000 . 1 . . . . . 25 THR HA . 50944 1 371 . 1 . 1 45 45 THR HB H 1 4.312 0.000 . 1 . . . . . 25 THR HB . 50944 1 372 . 1 . 1 45 45 THR HG21 H 1 1.237 0.000 . 1 . . . . . 25 THR HG21 . 50944 1 373 . 1 . 1 45 45 THR HG22 H 1 1.237 0.000 . 1 . . . . . 25 THR HG22 . 50944 1 374 . 1 . 1 45 45 THR HG23 H 1 1.237 0.000 . 1 . . . . . 25 THR HG23 . 50944 1 375 . 1 . 1 45 45 THR C C 13 174.953 0.003 . 1 . . . . . 25 THR C . 50944 1 376 . 1 . 1 45 45 THR CA C 13 62.281 0.056 . 1 . . . . . 25 THR CA . 50944 1 377 . 1 . 1 45 45 THR CB C 13 69.583 0.068 . 1 . . . . . 25 THR CB . 50944 1 378 . 1 . 1 45 45 THR CG2 C 13 21.686 0.000 . 1 . . . . . 25 THR CG2 . 50944 1 379 . 1 . 1 45 45 THR N N 15 115.990 0.060 . 1 . . . . . 25 THR N . 50944 1 380 . 1 . 1 46 46 LYS H H 1 8.318 0.002 . 1 . . . . . 26 LYS H . 50944 1 381 . 1 . 1 46 46 LYS HA H 1 4.331 0.000 . 1 . . . . . 26 LYS HA . 50944 1 382 . 1 . 1 46 46 LYS HB2 H 1 1.807 0.000 . 2 . . . . . 26 LYS HB2 . 50944 1 383 . 1 . 1 46 46 LYS HB3 H 1 1.896 0.000 . 2 . . . . . 26 LYS HB3 . 50944 1 384 . 1 . 1 46 46 LYS HG2 H 1 1.470 0.000 . 1 . . . . . 26 LYS HG2 . 50944 1 385 . 1 . 1 46 46 LYS HG3 H 1 1.470 0.000 . 1 . . . . . 26 LYS HG3 . 50944 1 386 . 1 . 1 46 46 LYS HD2 H 1 1.698 0.000 . 1 . . . . . 26 LYS HD2 . 50944 1 387 . 1 . 1 46 46 LYS HD3 H 1 1.698 0.000 . 1 . . . . . 26 LYS HD3 . 50944 1 388 . 1 . 1 46 46 LYS HE2 H 1 3.014 0.000 . 1 . . . . . 26 LYS HE2 . 50944 1 389 . 1 . 1 46 46 LYS HE3 H 1 3.014 0.000 . 1 . . . . . 26 LYS HE3 . 50944 1 390 . 1 . 1 46 46 LYS C C 13 177.235 0.015 . 1 . . . . . 26 LYS C . 50944 1 391 . 1 . 1 46 46 LYS CA C 13 56.789 0.021 . 1 . . . . . 26 LYS CA . 50944 1 392 . 1 . 1 46 46 LYS CB C 13 32.766 0.057 . 1 . . . . . 26 LYS CB . 50944 1 393 . 1 . 1 46 46 LYS CG C 13 24.850 0.000 . 1 . . . . . 26 LYS CG . 50944 1 394 . 1 . 1 46 46 LYS CD C 13 29.080 0.000 . 1 . . . . . 26 LYS CD . 50944 1 395 . 1 . 1 46 46 LYS CE C 13 42.154 0.000 . 1 . . . . . 26 LYS CE . 50944 1 396 . 1 . 1 46 46 LYS N N 15 123.597 0.008 . 1 . . . . . 26 LYS N . 50944 1 397 . 1 . 1 47 47 GLY H H 1 8.490 0.004 . 1 . . . . . 27 GLY H . 50944 1 398 . 1 . 1 47 47 GLY HA2 H 1 3.976 0.000 . 1 . . . . . 27 GLY HA2 . 50944 1 399 . 1 . 1 47 47 GLY HA3 H 1 3.976 0.000 . 1 . . . . . 27 GLY HA3 . 50944 1 400 . 1 . 1 47 47 GLY C C 13 174.097 0.031 . 1 . . . . . 27 GLY C . 50944 1 401 . 1 . 1 47 47 GLY CA C 13 45.273 0.054 . 1 . . . . . 27 GLY CA . 50944 1 402 . 1 . 1 47 47 GLY N N 15 110.172 0.008 . 1 . . . . . 27 GLY N . 50944 1 403 . 1 . 1 48 48 ARG H H 1 8.183 0.002 . 1 . . . . . 28 ARG H . 50944 1 404 . 1 . 1 48 48 ARG HA H 1 4.360 0.000 . 1 . . . . . 28 ARG HA . 50944 1 405 . 1 . 1 48 48 ARG HB2 H 1 1.789 0.000 . 2 . . . . . 28 ARG HB2 . 50944 1 406 . 1 . 1 48 48 ARG HB3 H 1 1.883 0.000 . 2 . . . . . 28 ARG HB3 . 50944 1 407 . 1 . 1 48 48 ARG HG2 H 1 1.654 0.000 . 1 . . . . . 28 ARG HG2 . 50944 1 408 . 1 . 1 48 48 ARG HG3 H 1 1.654 0.000 . 1 . . . . . 28 ARG HG3 . 50944 1 409 . 1 . 1 48 48 ARG HD2 H 1 3.228 0.000 . 1 . . . . . 28 ARG HD2 . 50944 1 410 . 1 . 1 48 48 ARG HD3 H 1 3.228 0.000 . 1 . . . . . 28 ARG HD3 . 50944 1 411 . 1 . 1 48 48 ARG C C 13 176.505 0.005 . 1 . . . . . 28 ARG C . 50944 1 412 . 1 . 1 48 48 ARG CA C 13 56.090 0.027 . 1 . . . . . 28 ARG CA . 50944 1 413 . 1 . 1 48 48 ARG CB C 13 30.851 0.046 . 1 . . . . . 28 ARG CB . 50944 1 414 . 1 . 1 48 48 ARG CG C 13 27.210 0.000 . 1 . . . . . 28 ARG CG . 50944 1 415 . 1 . 1 48 48 ARG CD C 13 43.424 0.000 . 1 . . . . . 28 ARG CD . 50944 1 416 . 1 . 1 48 48 ARG N N 15 120.767 0.020 . 1 . . . . . 28 ARG N . 50944 1 417 . 1 . 1 49 49 LYS H H 1 8.502 0.003 . 1 . . . . . 29 LYS H . 50944 1 418 . 1 . 1 49 49 LYS HA H 1 4.338 0.000 . 1 . . . . . 29 LYS HA . 50944 1 419 . 1 . 1 49 49 LYS HB2 H 1 1.766 0.000 . 2 . . . . . 29 LYS HB2 . 50944 1 420 . 1 . 1 49 49 LYS HB3 H 1 1.878 0.000 . 2 . . . . . 29 LYS HB3 . 50944 1 421 . 1 . 1 49 49 LYS HG2 H 1 1.477 0.000 . 1 . . . . . 29 LYS HG2 . 50944 1 422 . 1 . 1 49 49 LYS HG3 H 1 1.477 0.000 . 1 . . . . . 29 LYS HG3 . 50944 1 423 . 1 . 1 49 49 LYS HD2 H 1 1.695 0.000 . 1 . . . . . 29 LYS HD2 . 50944 1 424 . 1 . 1 49 49 LYS HD3 H 1 1.695 0.000 . 1 . . . . . 29 LYS HD3 . 50944 1 425 . 1 . 1 49 49 LYS HE2 H 1 3.036 0.000 . 1 . . . . . 29 LYS HE2 . 50944 1 426 . 1 . 1 49 49 LYS HE3 H 1 3.036 0.000 . 1 . . . . . 29 LYS HE3 . 50944 1 427 . 1 . 1 49 49 LYS C C 13 176.667 0.008 . 1 . . . . . 29 LYS C . 50944 1 428 . 1 . 1 49 49 LYS CA C 13 56.157 0.086 . 1 . . . . . 29 LYS CA . 50944 1 429 . 1 . 1 49 49 LYS CB C 13 33.060 0.084 . 1 . . . . . 29 LYS CB . 50944 1 430 . 1 . 1 49 49 LYS CG C 13 24.739 0.000 . 1 . . . . . 29 LYS CG . 50944 1 431 . 1 . 1 49 49 LYS CD C 13 29.186 0.000 . 1 . . . . . 29 LYS CD . 50944 1 432 . 1 . 1 49 49 LYS CE C 13 42.182 0.000 . 1 . . . . . 29 LYS CE . 50944 1 433 . 1 . 1 49 49 LYS N N 15 123.329 0.004 . 1 . . . . . 29 LYS N . 50944 1 434 . 1 . 1 50 50 LYS H H 1 8.503 0.001 . 1 . . . . . 30 LYS H . 50944 1 435 . 1 . 1 50 50 LYS HA H 1 4.331 0.000 . 1 . . . . . 30 LYS HA . 50944 1 436 . 1 . 1 50 50 LYS HB2 H 1 1.758 0.000 . 2 . . . . . 30 LYS HB2 . 50944 1 437 . 1 . 1 50 50 LYS HB3 H 1 1.861 0.000 . 2 . . . . . 30 LYS HB3 . 50944 1 438 . 1 . 1 50 50 LYS HG2 H 1 1.488 0.000 . 1 . . . . . 30 LYS HG2 . 50944 1 439 . 1 . 1 50 50 LYS HG3 H 1 1.488 0.000 . 1 . . . . . 30 LYS HG3 . 50944 1 440 . 1 . 1 50 50 LYS HD2 H 1 1.728 0.000 . 1 . . . . . 30 LYS HD2 . 50944 1 441 . 1 . 1 50 50 LYS HD3 H 1 1.728 0.000 . 1 . . . . . 30 LYS HD3 . 50944 1 442 . 1 . 1 50 50 LYS HE2 H 1 3.024 0.000 . 1 . . . . . 30 LYS HE2 . 50944 1 443 . 1 . 1 50 50 LYS HE3 H 1 3.024 0.000 . 1 . . . . . 30 LYS HE3 . 50944 1 444 . 1 . 1 50 50 LYS C C 13 177.089 0.008 . 1 . . . . . 30 LYS C . 50944 1 445 . 1 . 1 50 50 LYS CA C 13 56.513 0.039 . 1 . . . . . 30 LYS CA . 50944 1 446 . 1 . 1 50 50 LYS CB C 13 33.184 0.028 . 1 . . . . . 30 LYS CB . 50944 1 447 . 1 . 1 50 50 LYS CG C 13 24.779 0.000 . 1 . . . . . 30 LYS CG . 50944 1 448 . 1 . 1 50 50 LYS CD C 13 29.188 0.000 . 1 . . . . . 30 LYS CD . 50944 1 449 . 1 . 1 50 50 LYS CE C 13 42.127 0.000 . 1 . . . . . 30 LYS CE . 50944 1 450 . 1 . 1 50 50 LYS N N 15 123.546 0.014 . 1 . . . . . 30 LYS N . 50944 1 451 . 1 . 1 51 51 GLY H H 1 8.513 0.003 . 1 . . . . . 31 GLY H . 50944 1 452 . 1 . 1 51 51 GLY HA2 H 1 3.948 0.000 . 2 . . . . . 31 GLY HA2 . 50944 1 453 . 1 . 1 51 51 GLY HA3 H 1 4.055 0.000 . 2 . . . . . 31 GLY HA3 . 50944 1 454 . 1 . 1 51 51 GLY C C 13 173.815 0.013 . 1 . . . . . 31 GLY C . 50944 1 455 . 1 . 1 51 51 GLY CA C 13 44.970 0.055 . 1 . . . . . 31 GLY CA . 50944 1 456 . 1 . 1 51 51 GLY N N 15 110.742 0.026 . 1 . . . . . 31 GLY N . 50944 1 457 . 1 . 1 52 52 LYS H H 1 8.369 0.001 . 1 . . . . . 32 LYS H . 50944 1 458 . 1 . 1 52 52 LYS HA H 1 4.432 0.000 . 1 . . . . . 32 LYS HA . 50944 1 459 . 1 . 1 52 52 LYS HB2 H 1 1.764 0.000 . 2 . . . . . 32 LYS HB2 . 50944 1 460 . 1 . 1 52 52 LYS HB3 H 1 1.850 0.000 . 2 . . . . . 32 LYS HB3 . 50944 1 461 . 1 . 1 52 52 LYS HG2 H 1 1.467 0.000 . 1 . . . . . 32 LYS HG2 . 50944 1 462 . 1 . 1 52 52 LYS HG3 H 1 1.467 0.000 . 1 . . . . . 32 LYS HG3 . 50944 1 463 . 1 . 1 52 52 LYS HD2 H 1 1.703 0.000 . 1 . . . . . 32 LYS HD2 . 50944 1 464 . 1 . 1 52 52 LYS HD3 H 1 1.703 0.000 . 1 . . . . . 32 LYS HD3 . 50944 1 465 . 1 . 1 52 52 LYS HE2 H 1 3.031 0.000 . 1 . . . . . 32 LYS HE2 . 50944 1 466 . 1 . 1 52 52 LYS HE3 H 1 3.031 0.000 . 1 . . . . . 32 LYS HE3 . 50944 1 467 . 1 . 1 52 52 LYS C C 13 176.886 0.003 . 1 . . . . . 32 LYS C . 50944 1 468 . 1 . 1 52 52 LYS CA C 13 56.114 0.071 . 1 . . . . . 32 LYS CA . 50944 1 469 . 1 . 1 52 52 LYS CB C 13 33.306 0.052 . 1 . . . . . 32 LYS CB . 50944 1 470 . 1 . 1 52 52 LYS CG C 13 24.845 0.000 . 1 . . . . . 32 LYS CG . 50944 1 471 . 1 . 1 52 52 LYS CD C 13 29.161 0.000 . 1 . . . . . 32 LYS CD . 50944 1 472 . 1 . 1 52 52 LYS CE C 13 42.126 0.000 . 1 . . . . . 32 LYS CE . 50944 1 473 . 1 . 1 52 52 LYS N N 15 121.112 0.008 . 1 . . . . . 32 LYS N . 50944 1 474 . 1 . 1 53 53 THR H H 1 8.447 0.003 . 1 . . . . . 33 THR H . 50944 1 475 . 1 . 1 53 53 THR HA H 1 4.614 0.000 . 1 . . . . . 33 THR HA . 50944 1 476 . 1 . 1 53 53 THR HB H 1 4.198 0.000 . 1 . . . . . 33 THR HB . 50944 1 477 . 1 . 1 53 53 THR HG21 H 1 1.283 0.000 . 1 . . . . . 33 THR HG21 . 50944 1 478 . 1 . 1 53 53 THR HG22 H 1 1.283 0.000 . 1 . . . . . 33 THR HG22 . 50944 1 479 . 1 . 1 53 53 THR HG23 H 1 1.283 0.000 . 1 . . . . . 33 THR HG23 . 50944 1 480 . 1 . 1 53 53 THR C C 13 172.899 0.000 . 1 . . . . . 33 THR C . 50944 1 481 . 1 . 1 53 53 THR CA C 13 60.077 0.039 . 1 . . . . . 33 THR CA . 50944 1 482 . 1 . 1 53 53 THR CB C 13 69.681 0.031 . 1 . . . . . 33 THR CB . 50944 1 483 . 1 . 1 53 53 THR CG2 C 13 21.571 0.000 . 1 . . . . . 33 THR CG2 . 50944 1 484 . 1 . 1 53 53 THR N N 15 118.945 0.026 . 1 . . . . . 33 THR N . 50944 1 485 . 1 . 1 54 54 PRO HA H 1 4.425 0.000 . 1 . . . . . 34 PRO HA . 50944 1 486 . 1 . 1 54 54 PRO HB2 H 1 1.910 0.000 . 2 . . . . . 34 PRO HB2 . 50944 1 487 . 1 . 1 54 54 PRO HB3 H 1 2.328 0.000 . 2 . . . . . 34 PRO HB3 . 50944 1 488 . 1 . 1 54 54 PRO HG2 H 1 2.045 0.000 . 1 . . . . . 34 PRO HG2 . 50944 1 489 . 1 . 1 54 54 PRO HG3 H 1 2.045 0.000 . 1 . . . . . 34 PRO HG3 . 50944 1 490 . 1 . 1 54 54 PRO HD2 H 1 3.676 0.000 . 2 . . . . . 34 PRO HD2 . 50944 1 491 . 1 . 1 54 54 PRO HD3 H 1 3.908 0.000 . 2 . . . . . 34 PRO HD3 . 50944 1 492 . 1 . 1 54 54 PRO C C 13 177.011 0.006 . 1 . . . . . 34 PRO C . 50944 1 493 . 1 . 1 54 54 PRO CA C 13 63.357 0.016 . 1 . . . . . 34 PRO CA . 50944 1 494 . 1 . 1 54 54 PRO CB C 13 32.274 0.053 . 1 . . . . . 34 PRO CB . 50944 1 495 . 1 . 1 54 54 PRO CG C 13 27.491 0.000 . 1 . . . . . 34 PRO CG . 50944 1 496 . 1 . 1 54 54 PRO CD C 13 51.134 0.007 . 1 . . . . . 34 PRO CD . 50944 1 497 . 1 . 1 55 55 ARG H H 1 8.540 0.002 . 1 . . . . . 35 ARG H . 50944 1 498 . 1 . 1 55 55 ARG HA H 1 4.277 0.000 . 1 . . . . . 35 ARG HA . 50944 1 499 . 1 . 1 55 55 ARG HB2 H 1 1.831 0.000 . 1 . . . . . 35 ARG HB2 . 50944 1 500 . 1 . 1 55 55 ARG HB3 H 1 1.831 0.000 . 1 . . . . . 35 ARG HB3 . 50944 1 501 . 1 . 1 55 55 ARG HG2 H 1 1.688 0.000 . 1 . . . . . 35 ARG HG2 . 50944 1 502 . 1 . 1 55 55 ARG HG3 H 1 1.688 0.000 . 1 . . . . . 35 ARG HG3 . 50944 1 503 . 1 . 1 55 55 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 35 ARG HD2 . 50944 1 504 . 1 . 1 55 55 ARG HD3 H 1 3.229 0.000 . 1 . . . . . 35 ARG HD3 . 50944 1 505 . 1 . 1 55 55 ARG C C 13 176.604 0.006 . 1 . . . . . 35 ARG C . 50944 1 506 . 1 . 1 55 55 ARG CA C 13 56.451 0.071 . 1 . . . . . 35 ARG CA . 50944 1 507 . 1 . 1 55 55 ARG CB C 13 30.739 0.028 . 1 . . . . . 35 ARG CB . 50944 1 508 . 1 . 1 55 55 ARG CG C 13 27.283 0.000 . 1 . . . . . 35 ARG CG . 50944 1 509 . 1 . 1 55 55 ARG CD C 13 43.424 0.000 . 1 . . . . . 35 ARG CD . 50944 1 510 . 1 . 1 55 55 ARG N N 15 121.752 0.026 . 1 . . . . . 35 ARG N . 50944 1 511 . 1 . 1 56 56 GLN H H 1 8.516 0.003 . 1 . . . . . 36 GLN H . 50944 1 512 . 1 . 1 56 56 GLN HA H 1 4.337 0.000 . 1 . . . . . 36 GLN HA . 50944 1 513 . 1 . 1 56 56 GLN HB2 H 1 2.051 0.000 . 2 . . . . . 36 GLN HB2 . 50944 1 514 . 1 . 1 56 56 GLN HB3 H 1 2.079 0.000 . 2 . . . . . 36 GLN HB3 . 50944 1 515 . 1 . 1 56 56 GLN HG2 H 1 2.399 0.000 . 1 . . . . . 36 GLN HG2 . 50944 1 516 . 1 . 1 56 56 GLN HG3 H 1 2.399 0.000 . 1 . . . . . 36 GLN HG3 . 50944 1 517 . 1 . 1 56 56 GLN C C 13 176.044 0.009 . 1 . . . . . 36 GLN C . 50944 1 518 . 1 . 1 56 56 GLN CA C 13 55.869 0.023 . 1 . . . . . 36 GLN CA . 50944 1 519 . 1 . 1 56 56 GLN CB C 13 29.654 0.048 . 1 . . . . . 36 GLN CB . 50944 1 520 . 1 . 1 56 56 GLN CG C 13 33.879 0.000 . 1 . . . . . 36 GLN CG . 50944 1 521 . 1 . 1 56 56 GLN N N 15 122.116 0.019 . 1 . . . . . 36 GLN N . 50944 1 522 . 1 . 1 57 57 ARG H H 1 8.556 0.001 . 1 . . . . . 37 ARG H . 50944 1 523 . 1 . 1 57 57 ARG HA H 1 4.355 0.000 . 1 . . . . . 37 ARG HA . 50944 1 524 . 1 . 1 57 57 ARG HB2 H 1 1.794 0.000 . 2 . . . . . 37 ARG HB2 . 50944 1 525 . 1 . 1 57 57 ARG HB3 H 1 1.869 0.000 . 2 . . . . . 37 ARG HB3 . 50944 1 526 . 1 . 1 57 57 ARG HG2 H 1 1.682 0.000 . 1 . . . . . 37 ARG HG2 . 50944 1 527 . 1 . 1 57 57 ARG HG3 H 1 1.682 0.000 . 1 . . . . . 37 ARG HG3 . 50944 1 528 . 1 . 1 57 57 ARG HD2 H 1 3.230 0.000 . 1 . . . . . 37 ARG HD2 . 50944 1 529 . 1 . 1 57 57 ARG HD3 H 1 3.230 0.000 . 1 . . . . . 37 ARG HD3 . 50944 1 530 . 1 . 1 57 57 ARG C C 13 176.392 0.022 . 1 . . . . . 37 ARG C . 50944 1 531 . 1 . 1 57 57 ARG CA C 13 56.236 0.078 . 1 . . . . . 37 ARG CA . 50944 1 532 . 1 . 1 57 57 ARG CB C 13 30.868 0.098 . 1 . . . . . 37 ARG CB . 50944 1 533 . 1 . 1 57 57 ARG CG C 13 27.120 0.000 . 1 . . . . . 37 ARG CG . 50944 1 534 . 1 . 1 57 57 ARG CD C 13 43.315 0.000 . 1 . . . . . 37 ARG CD . 50944 1 535 . 1 . 1 57 57 ARG N N 15 123.407 0.030 . 1 . . . . . 37 ARG N . 50944 1 536 . 1 . 1 58 58 ARG H H 1 8.544 0.002 . 1 . . . . . 38 ARG H . 50944 1 537 . 1 . 1 58 58 ARG HA H 1 4.406 0.000 . 1 . . . . . 38 ARG HA . 50944 1 538 . 1 . 1 58 58 ARG HB2 H 1 1.808 0.000 . 2 . . . . . 38 ARG HB2 . 50944 1 539 . 1 . 1 58 58 ARG HB3 H 1 1.875 0.000 . 2 . . . . . 38 ARG HB3 . 50944 1 540 . 1 . 1 58 58 ARG HG2 H 1 1.701 0.000 . 1 . . . . . 38 ARG HG2 . 50944 1 541 . 1 . 1 58 58 ARG HG3 H 1 1.701 0.000 . 1 . . . . . 38 ARG HG3 . 50944 1 542 . 1 . 1 58 58 ARG HD2 H 1 3.210 0.000 . 1 . . . . . 38 ARG HD2 . 50944 1 543 . 1 . 1 58 58 ARG HD3 H 1 3.210 0.000 . 1 . . . . . 38 ARG HD3 . 50944 1 544 . 1 . 1 58 58 ARG C C 13 176.414 0.026 . 1 . . . . . 38 ARG C . 50944 1 545 . 1 . 1 58 58 ARG CA C 13 56.110 0.063 . 1 . . . . . 38 ARG CA . 50944 1 546 . 1 . 1 58 58 ARG CB C 13 30.803 0.013 . 1 . . . . . 38 ARG CB . 50944 1 547 . 1 . 1 58 58 ARG CG C 13 27.247 0.000 . 1 . . . . . 38 ARG CG . 50944 1 548 . 1 . 1 58 58 ARG CD C 13 43.333 0.000 . 1 . . . . . 38 ARG CD . 50944 1 549 . 1 . 1 58 58 ARG N N 15 123.074 0.004 . 1 . . . . . 38 ARG N . 50944 1 550 . 1 . 1 59 59 SER H H 1 8.521 0.004 . 1 . . . . . 39 SER H . 50944 1 551 . 1 . 1 59 59 SER HA H 1 4.470 0.000 . 1 . . . . . 39 SER HA . 50944 1 552 . 1 . 1 59 59 SER HB2 H 1 3.901 0.000 . 1 . . . . . 39 SER HB2 . 50944 1 553 . 1 . 1 59 59 SER HB3 H 1 3.901 0.000 . 1 . . . . . 39 SER HB3 . 50944 1 554 . 1 . 1 59 59 SER C C 13 174.740 0.016 . 1 . . . . . 39 SER C . 50944 1 555 . 1 . 1 59 59 SER CA C 13 58.367 0.027 . 1 . . . . . 39 SER CA . 50944 1 556 . 1 . 1 59 59 SER CB C 13 63.752 0.047 . 1 . . . . . 39 SER CB . 50944 1 557 . 1 . 1 59 59 SER N N 15 117.852 0.057 . 1 . . . . . 39 SER N . 50944 1 558 . 1 . 1 60 60 ARG H H 1 8.641 0.003 . 1 . . . . . 40 ARG H . 50944 1 559 . 1 . 1 60 60 ARG HA H 1 4.434 0.000 . 1 . . . . . 40 ARG HA . 50944 1 560 . 1 . 1 60 60 ARG HB2 H 1 1.694 0.000 . 2 . . . . . 40 ARG HB2 . 50944 1 561 . 1 . 1 60 60 ARG HB3 H 1 1.820 0.000 . 2 . . . . . 40 ARG HB3 . 50944 1 562 . 1 . 1 60 60 ARG HG2 H 1 1.693 0.000 . 1 . . . . . 40 ARG HG2 . 50944 1 563 . 1 . 1 60 60 ARG HG3 H 1 1.693 0.000 . 1 . . . . . 40 ARG HG3 . 50944 1 564 . 1 . 1 60 60 ARG HD2 H 1 3.244 0.000 . 1 . . . . . 40 ARG HD2 . 50944 1 565 . 1 . 1 60 60 ARG HD3 H 1 3.244 0.000 . 1 . . . . . 40 ARG HD3 . 50944 1 566 . 1 . 1 60 60 ARG C C 13 176.509 0.005 . 1 . . . . . 40 ARG C . 50944 1 567 . 1 . 1 60 60 ARG CA C 13 56.175 0.074 . 1 . . . . . 40 ARG CA . 50944 1 568 . 1 . 1 60 60 ARG CB C 13 30.729 0.015 . 1 . . . . . 40 ARG CB . 50944 1 569 . 1 . 1 60 60 ARG CG C 13 27.036 0.000 . 1 . . . . . 40 ARG CG . 50944 1 570 . 1 . 1 60 60 ARG CD C 13 43.355 0.000 . 1 . . . . . 40 ARG CD . 50944 1 571 . 1 . 1 60 60 ARG N N 15 123.695 0.054 . 1 . . . . . 40 ARG N . 50944 1 572 . 1 . 1 61 61 SER H H 1 8.467 0.003 . 1 . . . . . 41 SER H . 50944 1 573 . 1 . 1 61 61 SER HA H 1 4.481 0.000 . 1 . . . . . 41 SER HA . 50944 1 574 . 1 . 1 61 61 SER HB2 H 1 3.899 0.000 . 1 . . . . . 41 SER HB2 . 50944 1 575 . 1 . 1 61 61 SER HB3 H 1 3.899 0.000 . 1 . . . . . 41 SER HB3 . 50944 1 576 . 1 . 1 61 61 SER C C 13 175.120 0.042 . 1 . . . . . 41 SER C . 50944 1 577 . 1 . 1 61 61 SER CA C 13 58.672 0.046 . 1 . . . . . 41 SER CA . 50944 1 578 . 1 . 1 61 61 SER CB C 13 63.750 0.022 . 1 . . . . . 41 SER CB . 50944 1 579 . 1 . 1 61 61 SER N N 15 117.051 0.033 . 1 . . . . . 41 SER N . 50944 1 580 . 1 . 1 62 62 GLY H H 1 8.526 0.002 . 1 . . . . . 42 GLY H . 50944 1 581 . 1 . 1 62 62 GLY HA2 H 1 4.025 0.000 . 1 . . . . . 42 GLY HA2 . 50944 1 582 . 1 . 1 62 62 GLY HA3 H 1 4.025 0.000 . 1 . . . . . 42 GLY HA3 . 50944 1 583 . 1 . 1 62 62 GLY C C 13 174.207 0.008 . 1 . . . . . 42 GLY C . 50944 1 584 . 1 . 1 62 62 GLY CA C 13 45.259 0.057 . 1 . . . . . 42 GLY CA . 50944 1 585 . 1 . 1 62 62 GLY N N 15 111.295 0.017 . 1 . . . . . 42 GLY N . 50944 1 586 . 1 . 1 63 63 VAL H H 1 8.083 0.002 . 1 . . . . . 43 VAL H . 50944 1 587 . 1 . 1 63 63 VAL HA H 1 4.130 0.000 . 1 . . . . . 43 VAL HA . 50944 1 588 . 1 . 1 63 63 VAL HB H 1 2.116 0.000 . 1 . . . . . 43 VAL HB . 50944 1 589 . 1 . 1 63 63 VAL HG11 H 1 0.955 0.000 . 2 . . . . . 43 VAL HG11 . 50944 1 590 . 1 . 1 63 63 VAL HG12 H 1 0.955 0.000 . 2 . . . . . 43 VAL HG12 . 50944 1 591 . 1 . 1 63 63 VAL HG13 H 1 0.955 0.000 . 2 . . . . . 43 VAL HG13 . 50944 1 592 . 1 . 1 63 63 VAL HG21 H 1 0.960 0.000 . 2 . . . . . 43 VAL HG21 . 50944 1 593 . 1 . 1 63 63 VAL HG22 H 1 0.960 0.000 . 2 . . . . . 43 VAL HG22 . 50944 1 594 . 1 . 1 63 63 VAL HG23 H 1 0.960 0.000 . 2 . . . . . 43 VAL HG23 . 50944 1 595 . 1 . 1 63 63 VAL C C 13 176.538 0.002 . 1 . . . . . 43 VAL C . 50944 1 596 . 1 . 1 63 63 VAL CA C 13 62.479 0.021 . 1 . . . . . 43 VAL CA . 50944 1 597 . 1 . 1 63 63 VAL CB C 13 32.806 0.087 . 1 . . . . . 43 VAL CB . 50944 1 598 . 1 . 1 63 63 VAL CG1 C 13 20.559 0.000 . 2 . . . . . 43 VAL CG1 . 50944 1 599 . 1 . 1 63 63 VAL CG2 C 13 21.239 0.000 . 2 . . . . . 43 VAL CG2 . 50944 1 600 . 1 . 1 63 63 VAL N N 15 119.718 0.008 . 1 . . . . . 43 VAL N . 50944 1 601 . 1 . 1 64 64 LYS H H 1 8.551 0.002 . 1 . . . . . 44 LYS H . 50944 1 602 . 1 . 1 64 64 LYS HA H 1 4.346 0.000 . 1 . . . . . 44 LYS HA . 50944 1 603 . 1 . 1 64 64 LYS HB2 H 1 1.817 0.000 . 2 . . . . . 44 LYS HB2 . 50944 1 604 . 1 . 1 64 64 LYS HB3 H 1 1.860 0.000 . 2 . . . . . 44 LYS HB3 . 50944 1 605 . 1 . 1 64 64 LYS HG2 H 1 1.477 0.000 . 1 . . . . . 44 LYS HG2 . 50944 1 606 . 1 . 1 64 64 LYS HG3 H 1 1.477 0.000 . 1 . . . . . 44 LYS HG3 . 50944 1 607 . 1 . 1 64 64 LYS HD2 H 1 1.712 0.000 . 1 . . . . . 44 LYS HD2 . 50944 1 608 . 1 . 1 64 64 LYS HD3 H 1 1.712 0.000 . 1 . . . . . 44 LYS HD3 . 50944 1 609 . 1 . 1 64 64 LYS HE2 H 1 3.019 0.000 . 1 . . . . . 44 LYS HE2 . 50944 1 610 . 1 . 1 64 64 LYS HE3 H 1 3.019 0.000 . 1 . . . . . 44 LYS HE3 . 50944 1 611 . 1 . 1 64 64 LYS C C 13 177.150 0.000 . 1 . . . . . 44 LYS C . 50944 1 612 . 1 . 1 64 64 LYS CA C 13 56.629 0.015 . 1 . . . . . 44 LYS CA . 50944 1 613 . 1 . 1 64 64 LYS CB C 13 32.803 0.077 . 1 . . . . . 44 LYS CB . 50944 1 614 . 1 . 1 64 64 LYS CG C 13 24.886 0.000 . 1 . . . . . 44 LYS CG . 50944 1 615 . 1 . 1 64 64 LYS CD C 13 29.082 0.000 . 1 . . . . . 44 LYS CD . 50944 1 616 . 1 . 1 64 64 LYS CE C 13 42.153 0.000 . 1 . . . . . 44 LYS CE . 50944 1 617 . 1 . 1 64 64 LYS N N 15 125.728 0.022 . 1 . . . . . 44 LYS N . 50944 1 618 . 1 . 1 65 65 GLY H H 1 8.476 0.005 . 1 . . . . . 45 GLY H . 50944 1 619 . 1 . 1 65 65 GLY HA2 H 1 3.961 0.000 . 1 . . . . . 45 GLY HA2 . 50944 1 620 . 1 . 1 65 65 GLY HA3 H 1 3.961 0.000 . 1 . . . . . 45 GLY HA3 . 50944 1 621 . 1 . 1 65 65 GLY C C 13 173.977 0.036 . 1 . . . . . 45 GLY C . 50944 1 622 . 1 . 1 65 65 GLY CA C 13 45.215 0.044 . 1 . . . . . 45 GLY CA . 50944 1 623 . 1 . 1 65 65 GLY N N 15 110.306 0.009 . 1 . . . . . 45 GLY N . 50944 1 624 . 1 . 1 66 66 LEU H H 1 8.147 0.002 . 1 . . . . . 46 LEU H . 50944 1 625 . 1 . 1 66 66 LEU HA H 1 4.382 0.000 . 1 . . . . . 46 LEU HA . 50944 1 626 . 1 . 1 66 66 LEU HB2 H 1 1.600 0.000 . 1 . . . . . 46 LEU HB2 . 50944 1 627 . 1 . 1 66 66 LEU HB3 H 1 1.600 0.000 . 1 . . . . . 46 LEU HB3 . 50944 1 628 . 1 . 1 66 66 LEU HG H 1 1.637 0.000 . 1 . . . . . 46 LEU HG . 50944 1 629 . 1 . 1 66 66 LEU HD11 H 1 0.898 0.000 . 2 . . . . . 46 LEU HD11 . 50944 1 630 . 1 . 1 66 66 LEU HD12 H 1 0.898 0.000 . 2 . . . . . 46 LEU HD12 . 50944 1 631 . 1 . 1 66 66 LEU HD13 H 1 0.898 0.000 . 2 . . . . . 46 LEU HD13 . 50944 1 632 . 1 . 1 66 66 LEU HD21 H 1 0.925 0.000 . 2 . . . . . 46 LEU HD21 . 50944 1 633 . 1 . 1 66 66 LEU HD22 H 1 0.925 0.000 . 2 . . . . . 46 LEU HD22 . 50944 1 634 . 1 . 1 66 66 LEU HD23 H 1 0.925 0.000 . 2 . . . . . 46 LEU HD23 . 50944 1 635 . 1 . 1 66 66 LEU C C 13 177.634 0.004 . 1 . . . . . 46 LEU C . 50944 1 636 . 1 . 1 66 66 LEU CA C 13 55.146 0.029 . 1 . . . . . 46 LEU CA . 50944 1 637 . 1 . 1 66 66 LEU CB C 13 42.607 0.007 . 1 . . . . . 46 LEU CB . 50944 1 638 . 1 . 1 66 66 LEU CG C 13 26.974 0.000 . 1 . . . . . 46 LEU CG . 50944 1 639 . 1 . 1 66 66 LEU CD1 C 13 23.532 0.000 . 2 . . . . . 46 LEU CD1 . 50944 1 640 . 1 . 1 66 66 LEU CD2 C 13 24.938 0.000 . 2 . . . . . 46 LEU CD2 . 50944 1 641 . 1 . 1 66 66 LEU N N 15 121.866 0.027 . 1 . . . . . 46 LEU N . 50944 1 642 . 1 . 1 67 67 LYS H H 1 8.530 0.002 . 1 . . . . . 47 LYS H . 50944 1 643 . 1 . 1 67 67 LYS HA H 1 4.425 0.000 . 1 . . . . . 47 LYS HA . 50944 1 644 . 1 . 1 67 67 LYS HB2 H 1 1.815 0.000 . 2 . . . . . 47 LYS HB2 . 50944 1 645 . 1 . 1 67 67 LYS HB3 H 1 1.874 0.000 . 2 . . . . . 47 LYS HB3 . 50944 1 646 . 1 . 1 67 67 LYS HG2 H 1 1.471 0.000 . 2 . . . . . 47 LYS HG2 . 50944 1 647 . 1 . 1 67 67 LYS HG3 H 1 1.514 0.000 . 2 . . . . . 47 LYS HG3 . 50944 1 648 . 1 . 1 67 67 LYS HD2 H 1 1.730 0.000 . 1 . . . . . 47 LYS HD2 . 50944 1 649 . 1 . 1 67 67 LYS HD3 H 1 1.730 0.000 . 1 . . . . . 47 LYS HD3 . 50944 1 650 . 1 . 1 67 67 LYS HE2 H 1 3.007 0.000 . 1 . . . . . 47 LYS HE2 . 50944 1 651 . 1 . 1 67 67 LYS HE3 H 1 3.007 0.000 . 1 . . . . . 47 LYS HE3 . 50944 1 652 . 1 . 1 67 67 LYS C C 13 176.841 0.002 . 1 . . . . . 47 LYS C . 50944 1 653 . 1 . 1 67 67 LYS CA C 13 56.343 0.030 . 1 . . . . . 47 LYS CA . 50944 1 654 . 1 . 1 67 67 LYS CB C 13 32.970 0.019 . 1 . . . . . 47 LYS CB . 50944 1 655 . 1 . 1 67 67 LYS CG C 13 24.782 0.003 . 1 . . . . . 47 LYS CG . 50944 1 656 . 1 . 1 67 67 LYS CD C 13 29.125 0.000 . 1 . . . . . 47 LYS CD . 50944 1 657 . 1 . 1 67 67 LYS CE C 13 42.169 0.000 . 1 . . . . . 47 LYS CE . 50944 1 658 . 1 . 1 67 67 LYS N N 15 122.891 0.022 . 1 . . . . . 47 LYS N . 50944 1 659 . 1 . 1 68 68 THR H H 1 8.268 0.002 . 1 . . . . . 48 THR H . 50944 1 660 . 1 . 1 68 68 THR HA H 1 4.405 0.000 . 1 . . . . . 48 THR HA . 50944 1 661 . 1 . 1 68 68 THR HB H 1 4.372 0.000 . 1 . . . . . 48 THR HB . 50944 1 662 . 1 . 1 68 68 THR HG21 H 1 1.238 0.000 . 1 . . . . . 48 THR HG21 . 50944 1 663 . 1 . 1 68 68 THR HG22 H 1 1.238 0.000 . 1 . . . . . 48 THR HG22 . 50944 1 664 . 1 . 1 68 68 THR HG23 H 1 1.238 0.000 . 1 . . . . . 48 THR HG23 . 50944 1 665 . 1 . 1 68 68 THR C C 13 174.624 0.003 . 1 . . . . . 48 THR C . 50944 1 666 . 1 . 1 68 68 THR CA C 13 61.738 0.048 . 1 . . . . . 48 THR CA . 50944 1 667 . 1 . 1 68 68 THR CB C 13 69.801 0.055 . 1 . . . . . 48 THR CB . 50944 1 668 . 1 . 1 68 68 THR CG2 C 13 21.594 0.000 . 1 . . . . . 48 THR CG2 . 50944 1 669 . 1 . 1 68 68 THR N N 15 116.049 0.039 . 1 . . . . . 48 THR N . 50944 1 670 . 1 . 1 69 69 THR H H 1 8.299 0.002 . 1 . . . . . 49 THR H . 50944 1 671 . 1 . 1 69 69 THR HA H 1 4.387 0.000 . 1 . . . . . 49 THR HA . 50944 1 672 . 1 . 1 69 69 THR HB H 1 4.222 0.000 . 1 . . . . . 49 THR HB . 50944 1 673 . 1 . 1 69 69 THR HG21 H 1 1.258 0.000 . 1 . . . . . 49 THR HG21 . 50944 1 674 . 1 . 1 69 69 THR HG22 H 1 1.258 0.000 . 1 . . . . . 49 THR HG22 . 50944 1 675 . 1 . 1 69 69 THR HG23 H 1 1.258 0.000 . 1 . . . . . 49 THR HG23 . 50944 1 676 . 1 . 1 69 69 THR C C 13 174.430 0.003 . 1 . . . . . 49 THR C . 50944 1 677 . 1 . 1 69 69 THR CA C 13 61.904 0.043 . 1 . . . . . 49 THR CA . 50944 1 678 . 1 . 1 69 69 THR CB C 13 69.893 0.005 . 1 . . . . . 49 THR CB . 50944 1 679 . 1 . 1 69 69 THR CG2 C 13 21.599 0.000 . 1 . . . . . 49 THR CG2 . 50944 1 680 . 1 . 1 69 69 THR N N 15 117.354 0.008 . 1 . . . . . 49 THR N . 50944 1 681 . 1 . 1 70 70 ARG H H 1 8.486 0.003 . 1 . . . . . 50 ARG H . 50944 1 682 . 1 . 1 70 70 ARG HA H 1 4.340 0.000 . 1 . . . . . 50 ARG HA . 50944 1 683 . 1 . 1 70 70 ARG HB2 H 1 1.785 0.000 . 2 . . . . . 50 ARG HB2 . 50944 1 684 . 1 . 1 70 70 ARG HB3 H 1 1.891 0.000 . 2 . . . . . 50 ARG HB3 . 50944 1 685 . 1 . 1 70 70 ARG HG2 H 1 1.721 0.000 . 1 . . . . . 50 ARG HG2 . 50944 1 686 . 1 . 1 70 70 ARG HG3 H 1 1.721 0.000 . 1 . . . . . 50 ARG HG3 . 50944 1 687 . 1 . 1 70 70 ARG HD2 H 1 3.250 0.000 . 1 . . . . . 50 ARG HD2 . 50944 1 688 . 1 . 1 70 70 ARG HD3 H 1 3.250 0.000 . 1 . . . . . 50 ARG HD3 . 50944 1 689 . 1 . 1 70 70 ARG C C 13 176.198 0.002 . 1 . . . . . 50 ARG C . 50944 1 690 . 1 . 1 70 70 ARG CA C 13 56.064 0.059 . 1 . . . . . 50 ARG CA . 50944 1 691 . 1 . 1 70 70 ARG CB C 13 30.811 0.024 . 1 . . . . . 50 ARG CB . 50944 1 692 . 1 . 1 70 70 ARG CG C 13 27.246 0.000 . 1 . . . . . 50 ARG CG . 50944 1 693 . 1 . 1 70 70 ARG CD C 13 43.346 0.000 . 1 . . . . . 50 ARG CD . 50944 1 694 . 1 . 1 70 70 ARG N N 15 124.478 0.034 . 1 . . . . . 50 ARG N . 50944 1 695 . 1 . 1 71 71 LYS H H 1 8.491 0.003 . 1 . . . . . 51 LYS H . 50944 1 696 . 1 . 1 71 71 LYS HA H 1 4.300 0.000 . 1 . . . . . 51 LYS HA . 50944 1 697 . 1 . 1 71 71 LYS HB2 H 1 1.740 0.000 . 2 . . . . . 51 LYS HB2 . 50944 1 698 . 1 . 1 71 71 LYS HB3 H 1 1.825 0.000 . 2 . . . . . 51 LYS HB3 . 50944 1 699 . 1 . 1 71 71 LYS HG2 H 1 1.479 0.000 . 1 . . . . . 51 LYS HG2 . 50944 1 700 . 1 . 1 71 71 LYS HG3 H 1 1.479 0.000 . 1 . . . . . 51 LYS HG3 . 50944 1 701 . 1 . 1 71 71 LYS HD2 H 1 1.736 0.000 . 1 . . . . . 51 LYS HD2 . 50944 1 702 . 1 . 1 71 71 LYS HD3 H 1 1.736 0.000 . 1 . . . . . 51 LYS HD3 . 50944 1 703 . 1 . 1 71 71 LYS HE2 H 1 3.013 0.000 . 1 . . . . . 51 LYS HE2 . 50944 1 704 . 1 . 1 71 71 LYS HE3 H 1 3.013 0.000 . 1 . . . . . 51 LYS HE3 . 50944 1 705 . 1 . 1 71 71 LYS C C 13 176.266 0.008 . 1 . . . . . 51 LYS C . 50944 1 706 . 1 . 1 71 71 LYS CA C 13 56.210 0.062 . 1 . . . . . 51 LYS CA . 50944 1 707 . 1 . 1 71 71 LYS CB C 13 33.145 0.029 . 1 . . . . . 51 LYS CB . 50944 1 708 . 1 . 1 71 71 LYS CG C 13 24.836 0.000 . 1 . . . . . 51 LYS CG . 50944 1 709 . 1 . 1 71 71 LYS CD C 13 29.183 0.000 . 1 . . . . . 51 LYS CD . 50944 1 710 . 1 . 1 71 71 LYS CE C 13 42.088 0.000 . 1 . . . . . 51 LYS CE . 50944 1 711 . 1 . 1 71 71 LYS N N 15 123.942 0.012 . 1 . . . . . 51 LYS N . 50944 1 712 . 1 . 1 72 72 ALA H H 1 8.430 0.001 . 1 . . . . . 52 ALA H . 50944 1 713 . 1 . 1 72 72 ALA HA H 1 4.315 0.000 . 1 . . . . . 52 ALA HA . 50944 1 714 . 1 . 1 72 72 ALA HB1 H 1 1.399 0.000 . 1 . . . . . 52 ALA HB1 . 50944 1 715 . 1 . 1 72 72 ALA HB2 H 1 1.399 0.000 . 1 . . . . . 52 ALA HB2 . 50944 1 716 . 1 . 1 72 72 ALA HB3 H 1 1.399 0.000 . 1 . . . . . 52 ALA HB3 . 50944 1 717 . 1 . 1 72 72 ALA C C 13 177.627 0.008 . 1 . . . . . 52 ALA C . 50944 1 718 . 1 . 1 72 72 ALA CA C 13 52.328 0.037 . 1 . . . . . 52 ALA CA . 50944 1 719 . 1 . 1 72 72 ALA CB C 13 19.378 0.067 . 1 . . . . . 52 ALA CB . 50944 1 720 . 1 . 1 72 72 ALA N N 15 126.190 0.016 . 1 . . . . . 52 ALA N . 50944 1 721 . 1 . 1 73 73 LYS H H 1 8.453 0.002 . 1 . . . . . 53 LYS H . 50944 1 722 . 1 . 1 73 73 LYS HA H 1 4.278 0.000 . 1 . . . . . 53 LYS HA . 50944 1 723 . 1 . 1 73 73 LYS HB2 H 1 1.730 0.000 . 2 . . . . . 53 LYS HB2 . 50944 1 724 . 1 . 1 73 73 LYS HB3 H 1 1.851 0.000 . 2 . . . . . 53 LYS HB3 . 50944 1 725 . 1 . 1 73 73 LYS HG2 H 1 1.437 0.000 . 1 . . . . . 53 LYS HG2 . 50944 1 726 . 1 . 1 73 73 LYS HG3 H 1 1.437 0.000 . 1 . . . . . 53 LYS HG3 . 50944 1 727 . 1 . 1 73 73 LYS HD2 H 1 1.716 0.000 . 1 . . . . . 53 LYS HD2 . 50944 1 728 . 1 . 1 73 73 LYS HD3 H 1 1.716 0.000 . 1 . . . . . 53 LYS HD3 . 50944 1 729 . 1 . 1 73 73 LYS HE2 H 1 3.009 0.000 . 1 . . . . . 53 LYS HE2 . 50944 1 730 . 1 . 1 73 73 LYS HE3 H 1 3.009 0.000 . 1 . . . . . 53 LYS HE3 . 50944 1 731 . 1 . 1 73 73 LYS C C 13 176.467 0.007 . 1 . . . . . 53 LYS C . 50944 1 732 . 1 . 1 73 73 LYS CA C 13 56.216 0.011 . 1 . . . . . 53 LYS CA . 50944 1 733 . 1 . 1 73 73 LYS CB C 13 33.125 0.015 . 1 . . . . . 53 LYS CB . 50944 1 734 . 1 . 1 73 73 LYS CG C 13 24.829 0.000 . 1 . . . . . 53 LYS CG . 50944 1 735 . 1 . 1 73 73 LYS CD C 13 29.200 0.000 . 1 . . . . . 53 LYS CD . 50944 1 736 . 1 . 1 73 73 LYS CE C 13 42.109 0.000 . 1 . . . . . 53 LYS CE . 50944 1 737 . 1 . 1 73 73 LYS N N 15 121.805 0.006 . 1 . . . . . 53 LYS N . 50944 1 738 . 1 . 1 74 74 ARG H H 1 8.466 0.007 . 1 . . . . . 54 ARG H . 50944 1 739 . 1 . 1 74 74 ARG HA H 1 4.636 0.000 . 1 . . . . . 54 ARG HA . 50944 1 740 . 1 . 1 74 74 ARG HB2 H 1 1.854 0.000 . 1 . . . . . 54 ARG HB2 . 50944 1 741 . 1 . 1 74 74 ARG HB3 H 1 1.854 0.000 . 1 . . . . . 54 ARG HB3 . 50944 1 742 . 1 . 1 74 74 ARG HG2 H 1 1.726 0.000 . 1 . . . . . 54 ARG HG2 . 50944 1 743 . 1 . 1 74 74 ARG HG3 H 1 1.726 0.000 . 1 . . . . . 54 ARG HG3 . 50944 1 744 . 1 . 1 74 74 ARG HD2 H 1 3.245 0.000 . 1 . . . . . 54 ARG HD2 . 50944 1 745 . 1 . 1 74 74 ARG HD3 H 1 3.245 0.000 . 1 . . . . . 54 ARG HD3 . 50944 1 746 . 1 . 1 74 74 ARG C C 13 174.178 0.000 . 1 . . . . . 54 ARG C . 50944 1 747 . 1 . 1 74 74 ARG CA C 13 53.955 0.015 . 1 . . . . . 54 ARG CA . 50944 1 748 . 1 . 1 74 74 ARG CB C 13 30.779 0.067 . 1 . . . . . 54 ARG CB . 50944 1 749 . 1 . 1 74 74 ARG CG C 13 27.150 0.000 . 1 . . . . . 54 ARG CG . 50944 1 750 . 1 . 1 74 74 ARG CD C 13 43.337 0.000 . 1 . . . . . 54 ARG CD . 50944 1 751 . 1 . 1 74 74 ARG N N 15 124.155 0.015 . 1 . . . . . 54 ARG N . 50944 1 752 . 1 . 1 75 75 PRO HA H 1 4.446 0.000 . 1 . . . . . 55 PRO HA . 50944 1 753 . 1 . 1 75 75 PRO HB2 H 1 1.935 0.000 . 2 . . . . . 55 PRO HB2 . 50944 1 754 . 1 . 1 75 75 PRO HB3 H 1 2.361 0.000 . 2 . . . . . 55 PRO HB3 . 50944 1 755 . 1 . 1 75 75 PRO HG2 H 1 2.069 0.000 . 1 . . . . . 55 PRO HG2 . 50944 1 756 . 1 . 1 75 75 PRO HG3 H 1 2.069 0.000 . 1 . . . . . 55 PRO HG3 . 50944 1 757 . 1 . 1 75 75 PRO HD2 H 1 3.689 0.000 . 2 . . . . . 55 PRO HD2 . 50944 1 758 . 1 . 1 75 75 PRO HD3 H 1 3.874 0.000 . 2 . . . . . 55 PRO HD3 . 50944 1 759 . 1 . 1 75 75 PRO C C 13 176.793 0.003 . 1 . . . . . 55 PRO C . 50944 1 760 . 1 . 1 75 75 PRO CA C 13 62.893 0.005 . 1 . . . . . 55 PRO CA . 50944 1 761 . 1 . 1 75 75 PRO CB C 13 32.170 0.025 . 1 . . . . . 55 PRO CB . 50944 1 762 . 1 . 1 75 75 PRO CG C 13 27.465 0.000 . 1 . . . . . 55 PRO CG . 50944 1 763 . 1 . 1 75 75 PRO CD C 13 50.721 0.018 . 1 . . . . . 55 PRO CD . 50944 1 764 . 1 . 1 76 76 LEU H H 1 8.488 0.001 . 1 . . . . . 56 LEU H . 50944 1 765 . 1 . 1 76 76 LEU HA H 1 4.339 0.000 . 1 . . . . . 56 LEU HA . 50944 1 766 . 1 . 1 76 76 LEU HB2 H 1 1.600 0.000 . 2 . . . . . 56 LEU HB2 . 50944 1 767 . 1 . 1 76 76 LEU HB3 H 1 1.682 0.000 . 2 . . . . . 56 LEU HB3 . 50944 1 768 . 1 . 1 76 76 LEU HG H 1 1.610 0.000 . 1 . . . . . 56 LEU HG . 50944 1 769 . 1 . 1 76 76 LEU HD11 H 1 0.904 0.000 . 2 . . . . . 56 LEU HD11 . 50944 1 770 . 1 . 1 76 76 LEU HD12 H 1 0.904 0.000 . 2 . . . . . 56 LEU HD12 . 50944 1 771 . 1 . 1 76 76 LEU HD13 H 1 0.904 0.000 . 2 . . . . . 56 LEU HD13 . 50944 1 772 . 1 . 1 76 76 LEU HD21 H 1 0.963 0.000 . 2 . . . . . 56 LEU HD21 . 50944 1 773 . 1 . 1 76 76 LEU HD22 H 1 0.963 0.000 . 2 . . . . . 56 LEU HD22 . 50944 1 774 . 1 . 1 76 76 LEU HD23 H 1 0.963 0.000 . 2 . . . . . 56 LEU HD23 . 50944 1 775 . 1 . 1 76 76 LEU C C 13 177.627 0.008 . 1 . . . . . 56 LEU C . 50944 1 776 . 1 . 1 76 76 LEU CA C 13 55.272 0.029 . 1 . . . . . 56 LEU CA . 50944 1 777 . 1 . 1 76 76 LEU CB C 13 42.303 0.012 . 1 . . . . . 56 LEU CB . 50944 1 778 . 1 . 1 76 76 LEU CG C 13 26.968 0.000 . 1 . . . . . 56 LEU CG . 50944 1 779 . 1 . 1 76 76 LEU CD1 C 13 23.593 0.000 . 2 . . . . . 56 LEU CD1 . 50944 1 780 . 1 . 1 76 76 LEU CD2 C 13 24.930 0.000 . 2 . . . . . 56 LEU CD2 . 50944 1 781 . 1 . 1 76 76 LEU N N 15 123.203 0.010 . 1 . . . . . 56 LEU N . 50944 1 782 . 1 . 1 77 77 ARG H H 1 8.483 0.002 . 1 . . . . . 57 ARG H . 50944 1 783 . 1 . 1 77 77 ARG HA H 1 4.373 0.000 . 1 . . . . . 57 ARG HA . 50944 1 784 . 1 . 1 77 77 ARG HB2 H 1 1.806 0.000 . 2 . . . . . 57 ARG HB2 . 50944 1 785 . 1 . 1 77 77 ARG HB3 H 1 1.868 0.000 . 2 . . . . . 57 ARG HB3 . 50944 1 786 . 1 . 1 77 77 ARG HG2 H 1 1.673 0.000 . 1 . . . . . 57 ARG HG2 . 50944 1 787 . 1 . 1 77 77 ARG HG3 H 1 1.673 0.000 . 1 . . . . . 57 ARG HG3 . 50944 1 788 . 1 . 1 77 77 ARG HD2 H 1 3.225 0.000 . 1 . . . . . 57 ARG HD2 . 50944 1 789 . 1 . 1 77 77 ARG HD3 H 1 3.225 0.000 . 1 . . . . . 57 ARG HD3 . 50944 1 790 . 1 . 1 77 77 ARG C C 13 176.789 0.009 . 1 . . . . . 57 ARG C . 50944 1 791 . 1 . 1 77 77 ARG CA C 13 56.129 0.038 . 1 . . . . . 57 ARG CA . 50944 1 792 . 1 . 1 77 77 ARG CB C 13 30.824 0.009 . 1 . . . . . 57 ARG CB . 50944 1 793 . 1 . 1 77 77 ARG CG C 13 27.180 0.000 . 1 . . . . . 57 ARG CG . 50944 1 794 . 1 . 1 77 77 ARG CD C 13 43.391 0.000 . 1 . . . . . 57 ARG CD . 50944 1 795 . 1 . 1 77 77 ARG N N 15 122.344 0.035 . 1 . . . . . 57 ARG N . 50944 1 796 . 1 . 1 78 78 GLY H H 1 8.565 0.005 . 1 . . . . . 58 GLY H . 50944 1 797 . 1 . 1 78 78 GLY HA2 H 1 4.017 0.000 . 1 . . . . . 58 GLY HA2 . 50944 1 798 . 1 . 1 78 78 GLY HA3 H 1 4.017 0.000 . 1 . . . . . 58 GLY HA3 . 50944 1 799 . 1 . 1 78 78 GLY C C 13 174.258 0.005 . 1 . . . . . 58 GLY C . 50944 1 800 . 1 . 1 78 78 GLY CA C 13 45.218 0.028 . 1 . . . . . 58 GLY CA . 50944 1 801 . 1 . 1 78 78 GLY N N 15 110.709 0.030 . 1 . . . . . 58 GLY N . 50944 1 802 . 1 . 1 79 79 SER H H 1 8.383 0.002 . 1 . . . . . 59 SER H . 50944 1 803 . 1 . 1 79 79 SER HA H 1 4.532 0.000 . 1 . . . . . 59 SER HA . 50944 1 804 . 1 . 1 79 79 SER HB2 H 1 3.896 0.000 . 2 . . . . . 59 SER HB2 . 50944 1 805 . 1 . 1 79 79 SER HB3 H 1 3.942 0.000 . 2 . . . . . 59 SER HB3 . 50944 1 806 . 1 . 1 79 79 SER C C 13 175.043 0.025 . 1 . . . . . 59 SER C . 50944 1 807 . 1 . 1 79 79 SER CA C 13 58.394 0.011 . 1 . . . . . 59 SER CA . 50944 1 808 . 1 . 1 79 79 SER CB C 13 63.911 0.052 . 1 . . . . . 59 SER CB . 50944 1 809 . 1 . 1 79 79 SER N N 15 115.840 0.006 . 1 . . . . . 59 SER N . 50944 1 810 . 1 . 1 80 80 SER H H 1 8.590 0.003 . 1 . . . . . 60 SER H . 50944 1 811 . 1 . 1 80 80 SER HA H 1 4.550 0.000 . 1 . . . . . 60 SER HA . 50944 1 812 . 1 . 1 80 80 SER HB2 H 1 3.940 0.000 . 1 . . . . . 60 SER HB2 . 50944 1 813 . 1 . 1 80 80 SER HB3 H 1 3.940 0.000 . 1 . . . . . 60 SER HB3 . 50944 1 814 . 1 . 1 80 80 SER C C 13 174.789 0.037 . 1 . . . . . 60 SER C . 50944 1 815 . 1 . 1 80 80 SER CA C 13 58.643 0.033 . 1 . . . . . 60 SER CA . 50944 1 816 . 1 . 1 80 80 SER CB C 13 63.733 0.039 . 1 . . . . . 60 SER CB . 50944 1 817 . 1 . 1 80 80 SER N N 15 118.102 0.000 . 1 . . . . . 60 SER N . 50944 1 818 . 1 . 1 81 81 SER H H 1 8.428 0.003 . 1 . . . . . 61 SER H . 50944 1 819 . 1 . 1 81 81 SER HA H 1 4.489 0.000 . 1 . . . . . 61 SER HA . 50944 1 820 . 1 . 1 81 81 SER HB2 H 1 3.903 0.000 . 1 . . . . . 61 SER HB2 . 50944 1 821 . 1 . 1 81 81 SER HB3 H 1 3.903 0.000 . 1 . . . . . 61 SER HB3 . 50944 1 822 . 1 . 1 81 81 SER C C 13 174.589 0.030 . 1 . . . . . 61 SER C . 50944 1 823 . 1 . 1 81 81 SER CA C 13 58.597 0.059 . 1 . . . . . 61 SER CA . 50944 1 824 . 1 . 1 81 81 SER CB C 13 63.774 0.050 . 1 . . . . . 61 SER CB . 50944 1 825 . 1 . 1 81 81 SER N N 15 117.857 0.000 . 1 . . . . . 61 SER N . 50944 1 826 . 1 . 1 82 82 GLN H H 1 8.391 0.003 . 1 . . . . . 62 GLN H . 50944 1 827 . 1 . 1 82 82 GLN HA H 1 4.355 0.000 . 1 . . . . . 62 GLN HA . 50944 1 828 . 1 . 1 82 82 GLN HB2 H 1 2.001 0.000 . 2 . . . . . 62 GLN HB2 . 50944 1 829 . 1 . 1 82 82 GLN HB3 H 1 2.134 0.000 . 2 . . . . . 62 GLN HB3 . 50944 1 830 . 1 . 1 82 82 GLN HG2 H 1 2.390 0.000 . 1 . . . . . 62 GLN HG2 . 50944 1 831 . 1 . 1 82 82 GLN HG3 H 1 2.390 0.000 . 1 . . . . . 62 GLN HG3 . 50944 1 832 . 1 . 1 82 82 GLN C C 13 176.012 0.005 . 1 . . . . . 62 GLN C . 50944 1 833 . 1 . 1 82 82 GLN CA C 13 55.964 0.045 . 1 . . . . . 62 GLN CA . 50944 1 834 . 1 . 1 82 82 GLN CB C 13 29.485 0.017 . 1 . . . . . 62 GLN CB . 50944 1 835 . 1 . 1 82 82 GLN CG C 13 33.871 0.000 . 1 . . . . . 62 GLN CG . 50944 1 836 . 1 . 1 82 82 GLN N N 15 122.453 0.012 . 1 . . . . . 62 GLN N . 50944 1 837 . 1 . 1 83 83 LYS H H 1 8.445 0.002 . 1 . . . . . 63 LYS H . 50944 1 838 . 1 . 1 83 83 LYS HA H 1 4.325 0.000 . 1 . . . . . 63 LYS HA . 50944 1 839 . 1 . 1 83 83 LYS HB2 H 1 1.736 0.000 . 2 . . . . . 63 LYS HB2 . 50944 1 840 . 1 . 1 83 83 LYS HB3 H 1 1.863 0.000 . 2 . . . . . 63 LYS HB3 . 50944 1 841 . 1 . 1 83 83 LYS HG2 H 1 1.462 0.000 . 1 . . . . . 63 LYS HG2 . 50944 1 842 . 1 . 1 83 83 LYS HG3 H 1 1.462 0.000 . 1 . . . . . 63 LYS HG3 . 50944 1 843 . 1 . 1 83 83 LYS HD2 H 1 1.726 0.000 . 1 . . . . . 63 LYS HD2 . 50944 1 844 . 1 . 1 83 83 LYS HD3 H 1 1.726 0.000 . 1 . . . . . 63 LYS HD3 . 50944 1 845 . 1 . 1 83 83 LYS HE2 H 1 3.016 0.000 . 1 . . . . . 63 LYS HE2 . 50944 1 846 . 1 . 1 83 83 LYS HE3 H 1 3.016 0.000 . 1 . . . . . 63 LYS HE3 . 50944 1 847 . 1 . 1 83 83 LYS C C 13 176.484 0.005 . 1 . . . . . 63 LYS C . 50944 1 848 . 1 . 1 83 83 LYS CA C 13 56.262 0.016 . 1 . . . . . 63 LYS CA . 50944 1 849 . 1 . 1 83 83 LYS CB C 13 33.118 0.041 . 1 . . . . . 63 LYS CB . 50944 1 850 . 1 . 1 83 83 LYS CG C 13 24.707 0.000 . 1 . . . . . 63 LYS CG . 50944 1 851 . 1 . 1 83 83 LYS CD C 13 29.236 0.000 . 1 . . . . . 63 LYS CD . 50944 1 852 . 1 . 1 83 83 LYS CE C 13 42.094 0.000 . 1 . . . . . 63 LYS CE . 50944 1 853 . 1 . 1 83 83 LYS N N 15 123.306 0.008 . 1 . . . . . 63 LYS N . 50944 1 854 . 1 . 1 84 84 ALA H H 1 8.491 0.001 . 1 . . . . . 64 ALA H . 50944 1 855 . 1 . 1 84 84 ALA HA H 1 4.323 0.000 . 1 . . . . . 64 ALA HA . 50944 1 856 . 1 . 1 84 84 ALA HB1 H 1 1.429 0.000 . 1 . . . . . 64 ALA HB1 . 50944 1 857 . 1 . 1 84 84 ALA HB2 H 1 1.429 0.000 . 1 . . . . . 64 ALA HB2 . 50944 1 858 . 1 . 1 84 84 ALA HB3 H 1 1.429 0.000 . 1 . . . . . 64 ALA HB3 . 50944 1 859 . 1 . 1 84 84 ALA C C 13 178.382 0.003 . 1 . . . . . 64 ALA C . 50944 1 860 . 1 . 1 84 84 ALA CA C 13 52.869 0.045 . 1 . . . . . 64 ALA CA . 50944 1 861 . 1 . 1 84 84 ALA CB C 13 19.180 0.075 . 1 . . . . . 64 ALA CB . 50944 1 862 . 1 . 1 84 84 ALA N N 15 125.972 0.011 . 1 . . . . . 64 ALA N . 50944 1 863 . 1 . 1 85 85 GLY H H 1 8.482 0.002 . 1 . . . . . 65 GLY H . 50944 1 864 . 1 . 1 85 85 GLY HA2 H 1 3.990 0.000 . 1 . . . . . 65 GLY HA2 . 50944 1 865 . 1 . 1 85 85 GLY HA3 H 1 3.990 0.000 . 1 . . . . . 65 GLY HA3 . 50944 1 866 . 1 . 1 85 85 GLY C C 13 174.254 0.012 . 1 . . . . . 65 GLY C . 50944 1 867 . 1 . 1 85 85 GLY CA C 13 45.205 0.047 . 1 . . . . . 65 GLY CA . 50944 1 868 . 1 . 1 85 85 GLY N N 15 108.620 0.007 . 1 . . . . . 65 GLY N . 50944 1 869 . 1 . 1 86 86 GLU H H 1 8.280 0.003 . 1 . . . . . 66 GLU H . 50944 1 870 . 1 . 1 86 86 GLU HA H 1 4.417 0.000 . 1 . . . . . 66 GLU HA . 50944 1 871 . 1 . 1 86 86 GLU HB2 H 1 1.989 0.000 . 2 . . . . . 66 GLU HB2 . 50944 1 872 . 1 . 1 86 86 GLU HB3 H 1 2.108 0.000 . 2 . . . . . 66 GLU HB3 . 50944 1 873 . 1 . 1 86 86 GLU HG2 H 1 2.297 0.000 . 1 . . . . . 66 GLU HG2 . 50944 1 874 . 1 . 1 86 86 GLU HG3 H 1 2.297 0.000 . 1 . . . . . 66 GLU HG3 . 50944 1 875 . 1 . 1 86 86 GLU C C 13 176.883 0.004 . 1 . . . . . 66 GLU C . 50944 1 876 . 1 . 1 86 86 GLU CA C 13 56.519 0.032 . 1 . . . . . 66 GLU CA . 50944 1 877 . 1 . 1 86 86 GLU CB C 13 30.390 0.038 . 1 . . . . . 66 GLU CB . 50944 1 878 . 1 . 1 86 86 GLU CG C 13 36.346 0.000 . 1 . . . . . 66 GLU CG . 50944 1 879 . 1 . 1 86 86 GLU N N 15 120.664 0.029 . 1 . . . . . 66 GLU N . 50944 1 880 . 1 . 1 87 87 THR H H 1 8.361 0.002 . 1 . . . . . 67 THR H . 50944 1 881 . 1 . 1 87 87 THR HA H 1 4.395 0.000 . 1 . . . . . 67 THR HA . 50944 1 882 . 1 . 1 87 87 THR HB H 1 4.270 0.000 . 1 . . . . . 67 THR HB . 50944 1 883 . 1 . 1 87 87 THR HG21 H 1 1.246 0.000 . 1 . . . . . 67 THR HG21 . 50944 1 884 . 1 . 1 87 87 THR HG22 H 1 1.246 0.000 . 1 . . . . . 67 THR HG22 . 50944 1 885 . 1 . 1 87 87 THR HG23 H 1 1.246 0.000 . 1 . . . . . 67 THR HG23 . 50944 1 886 . 1 . 1 87 87 THR C C 13 174.314 0.001 . 1 . . . . . 67 THR C . 50944 1 887 . 1 . 1 87 87 THR CA C 13 61.867 0.038 . 1 . . . . . 67 THR CA . 50944 1 888 . 1 . 1 87 87 THR CB C 13 69.802 0.012 . 1 . . . . . 67 THR CB . 50944 1 889 . 1 . 1 87 87 THR CG2 C 13 21.570 0.000 . 1 . . . . . 67 THR CG2 . 50944 1 890 . 1 . 1 87 87 THR N N 15 115.135 0.030 . 1 . . . . . 67 THR N . 50944 1 891 . 1 . 1 88 88 ASN H H 1 8.604 0.003 . 1 . . . . . 68 ASN H . 50944 1 892 . 1 . 1 88 88 ASN HA H 1 4.824 0.000 . 1 . . . . . 68 ASN HA . 50944 1 893 . 1 . 1 88 88 ASN HB2 H 1 2.783 0.000 . 2 . . . . . 68 ASN HB2 . 50944 1 894 . 1 . 1 88 88 ASN HB3 H 1 2.846 0.000 . 2 . . . . . 68 ASN HB3 . 50944 1 895 . 1 . 1 88 88 ASN C C 13 174.965 0.014 . 1 . . . . . 68 ASN C . 50944 1 896 . 1 . 1 88 88 ASN CA C 13 53.146 0.068 . 1 . . . . . 68 ASN CA . 50944 1 897 . 1 . 1 88 88 ASN CB C 13 38.966 0.023 . 1 . . . . . 68 ASN CB . 50944 1 898 . 1 . 1 88 88 ASN N N 15 121.506 0.015 . 1 . . . . . 68 ASN N . 50944 1 899 . 1 . 1 89 89 THR H H 1 8.284 0.003 . 1 . . . . . 69 THR H . 50944 1 900 . 1 . 1 89 89 THR HA H 1 4.625 0.000 . 1 . . . . . 69 THR HA . 50944 1 901 . 1 . 1 89 89 THR HB H 1 4.184 0.000 . 1 . . . . . 69 THR HB . 50944 1 902 . 1 . 1 89 89 THR HG21 H 1 1.245 0.000 . 1 . . . . . 69 THR HG21 . 50944 1 903 . 1 . 1 89 89 THR HG22 H 1 1.245 0.000 . 1 . . . . . 69 THR HG22 . 50944 1 904 . 1 . 1 89 89 THR HG23 H 1 1.245 0.000 . 1 . . . . . 69 THR HG23 . 50944 1 905 . 1 . 1 89 89 THR C C 13 172.902 0.000 . 1 . . . . . 69 THR C . 50944 1 906 . 1 . 1 89 89 THR CA C 13 59.938 0.025 . 1 . . . . . 69 THR CA . 50944 1 907 . 1 . 1 89 89 THR CB C 13 69.627 0.092 . 1 . . . . . 69 THR CB . 50944 1 908 . 1 . 1 89 89 THR CG2 C 13 21.574 0.000 . 1 . . . . . 69 THR CG2 . 50944 1 909 . 1 . 1 89 89 THR N N 15 117.236 0.010 . 1 . . . . . 69 THR N . 50944 1 910 . 1 . 1 90 90 PRO HA H 1 4.494 0.000 . 1 . . . . . 70 PRO HA . 50944 1 911 . 1 . 1 90 90 PRO HB2 H 1 1.913 0.000 . 2 . . . . . 70 PRO HB2 . 50944 1 912 . 1 . 1 90 90 PRO HB3 H 1 2.345 0.000 . 2 . . . . . 70 PRO HB3 . 50944 1 913 . 1 . 1 90 90 PRO HG2 H 1 2.024 0.000 . 1 . . . . . 70 PRO HG2 . 50944 1 914 . 1 . 1 90 90 PRO HG3 H 1 2.024 0.000 . 1 . . . . . 70 PRO HG3 . 50944 1 915 . 1 . 1 90 90 PRO HD2 H 1 3.737 0.000 . 2 . . . . . 70 PRO HD2 . 50944 1 916 . 1 . 1 90 90 PRO HD3 H 1 3.889 0.000 . 2 . . . . . 70 PRO HD3 . 50944 1 917 . 1 . 1 90 90 PRO C C 13 176.807 0.014 . 1 . . . . . 70 PRO C . 50944 1 918 . 1 . 1 90 90 PRO CA C 13 63.403 0.027 . 1 . . . . . 70 PRO CA . 50944 1 919 . 1 . 1 90 90 PRO CB C 13 32.083 0.077 . 1 . . . . . 70 PRO CB . 50944 1 920 . 1 . 1 90 90 PRO CG C 13 27.446 0.000 . 1 . . . . . 70 PRO CG . 50944 1 921 . 1 . 1 90 90 PRO CD C 13 51.139 0.016 . 1 . . . . . 70 PRO CD . 50944 1 922 . 1 . 1 91 91 ALA H H 1 8.486 0.002 . 1 . . . . . 71 ALA H . 50944 1 923 . 1 . 1 91 91 ALA HA H 1 4.324 0.000 . 1 . . . . . 71 ALA HA . 50944 1 924 . 1 . 1 91 91 ALA HB1 H 1 1.438 0.000 . 1 . . . . . 71 ALA HB1 . 50944 1 925 . 1 . 1 91 91 ALA HB2 H 1 1.438 0.000 . 1 . . . . . 71 ALA HB2 . 50944 1 926 . 1 . 1 91 91 ALA HB3 H 1 1.438 0.000 . 1 . . . . . 71 ALA HB3 . 50944 1 927 . 1 . 1 91 91 ALA C C 13 178.374 0.004 . 1 . . . . . 71 ALA C . 50944 1 928 . 1 . 1 91 91 ALA CA C 13 52.599 0.055 . 1 . . . . . 71 ALA CA . 50944 1 929 . 1 . 1 91 91 ALA CB C 13 19.203 0.028 . 1 . . . . . 71 ALA CB . 50944 1 930 . 1 . 1 91 91 ALA N N 15 124.479 0.047 . 1 . . . . . 71 ALA N . 50944 1 931 . 1 . 1 92 92 GLY H H 1 8.388 0.003 . 1 . . . . . 72 GLY H . 50944 1 932 . 1 . 1 92 92 GLY HA2 H 1 3.922 0.000 . 2 . . . . . 72 GLY HA2 . 50944 1 933 . 1 . 1 92 92 GLY HA3 H 1 3.977 0.000 . 2 . . . . . 72 GLY HA3 . 50944 1 934 . 1 . 1 92 92 GLY C C 13 173.764 0.016 . 1 . . . . . 72 GLY C . 50944 1 935 . 1 . 1 92 92 GLY CA C 13 44.929 0.073 . 1 . . . . . 72 GLY CA . 50944 1 936 . 1 . 1 92 92 GLY N N 15 108.215 0.008 . 1 . . . . . 72 GLY N . 50944 1 937 . 1 . 1 93 93 LYS H H 1 8.198 0.002 . 1 . . . . . 73 LYS H . 50944 1 938 . 1 . 1 93 93 LYS HA H 1 4.637 0.000 . 1 . . . . . 73 LYS HA . 50944 1 939 . 1 . 1 93 93 LYS HB2 H 1 1.736 0.000 . 2 . . . . . 73 LYS HB2 . 50944 1 940 . 1 . 1 93 93 LYS HB3 H 1 1.845 0.000 . 2 . . . . . 73 LYS HB3 . 50944 1 941 . 1 . 1 93 93 LYS HG2 H 1 1.500 0.000 . 1 . . . . . 73 LYS HG2 . 50944 1 942 . 1 . 1 93 93 LYS HG3 H 1 1.500 0.000 . 1 . . . . . 73 LYS HG3 . 50944 1 943 . 1 . 1 93 93 LYS HD2 H 1 1.720 0.000 . 1 . . . . . 73 LYS HD2 . 50944 1 944 . 1 . 1 93 93 LYS HD3 H 1 1.720 0.000 . 1 . . . . . 73 LYS HD3 . 50944 1 945 . 1 . 1 93 93 LYS HE2 H 1 3.023 0.000 . 1 . . . . . 73 LYS HE2 . 50944 1 946 . 1 . 1 93 93 LYS HE3 H 1 3.023 0.000 . 1 . . . . . 73 LYS HE3 . 50944 1 947 . 1 . 1 93 93 LYS C C 13 174.608 0.000 . 1 . . . . . 73 LYS C . 50944 1 948 . 1 . 1 93 93 LYS CA C 13 54.158 0.017 . 1 . . . . . 73 LYS CA . 50944 1 949 . 1 . 1 93 93 LYS CB C 13 32.496 0.004 . 1 . . . . . 73 LYS CB . 50944 1 950 . 1 . 1 93 93 LYS CG C 13 24.674 0.000 . 1 . . . . . 73 LYS CG . 50944 1 951 . 1 . 1 93 93 LYS CD C 13 29.122 0.000 . 1 . . . . . 73 LYS CD . 50944 1 952 . 1 . 1 93 93 LYS CE C 13 42.214 0.000 . 1 . . . . . 73 LYS CE . 50944 1 953 . 1 . 1 93 93 LYS N N 15 122.146 0.020 . 1 . . . . . 73 LYS N . 50944 1 954 . 1 . 1 94 94 PRO HA H 1 4.448 0.000 . 1 . . . . . 74 PRO HA . 50944 1 955 . 1 . 1 94 94 PRO HB2 H 1 1.883 0.000 . 2 . . . . . 74 PRO HB2 . 50944 1 956 . 1 . 1 94 94 PRO HB3 H 1 2.308 0.000 . 2 . . . . . 74 PRO HB3 . 50944 1 957 . 1 . 1 94 94 PRO HG2 H 1 2.054 0.000 . 1 . . . . . 74 PRO HG2 . 50944 1 958 . 1 . 1 94 94 PRO HG3 H 1 2.054 0.000 . 1 . . . . . 74 PRO HG3 . 50944 1 959 . 1 . 1 94 94 PRO HD2 H 1 3.664 0.000 . 2 . . . . . 74 PRO HD2 . 50944 1 960 . 1 . 1 94 94 PRO HD3 H 1 3.855 0.000 . 2 . . . . . 74 PRO HD3 . 50944 1 961 . 1 . 1 94 94 PRO C C 13 176.950 0.000 . 1 . . . . . 74 PRO C . 50944 1 962 . 1 . 1 94 94 PRO CA C 13 63.058 0.014 . 1 . . . . . 74 PRO CA . 50944 1 963 . 1 . 1 94 94 PRO CB C 13 32.133 0.021 . 1 . . . . . 74 PRO CB . 50944 1 964 . 1 . 1 94 94 PRO CG C 13 27.490 0.000 . 1 . . . . . 74 PRO CG . 50944 1 965 . 1 . 1 94 94 PRO CD C 13 50.732 0.020 . 1 . . . . . 74 PRO CD . 50944 1 966 . 1 . 1 95 95 LYS H H 1 8.564 0.002 . 1 . . . . . 75 LYS H . 50944 1 967 . 1 . 1 95 95 LYS HA H 1 4.292 0.000 . 1 . . . . . 75 LYS HA . 50944 1 968 . 1 . 1 95 95 LYS HB2 H 1 1.741 0.000 . 2 . . . . . 75 LYS HB2 . 50944 1 969 . 1 . 1 95 95 LYS HB3 H 1 1.821 0.000 . 2 . . . . . 75 LYS HB3 . 50944 1 970 . 1 . 1 95 95 LYS HG2 H 1 1.498 0.000 . 1 . . . . . 75 LYS HG2 . 50944 1 971 . 1 . 1 95 95 LYS HG3 H 1 1.498 0.000 . 1 . . . . . 75 LYS HG3 . 50944 1 972 . 1 . 1 95 95 LYS HD2 H 1 1.735 0.000 . 1 . . . . . 75 LYS HD2 . 50944 1 973 . 1 . 1 95 95 LYS HD3 H 1 1.735 0.000 . 1 . . . . . 75 LYS HD3 . 50944 1 974 . 1 . 1 95 95 LYS HE2 H 1 3.029 0.000 . 1 . . . . . 75 LYS HE2 . 50944 1 975 . 1 . 1 95 95 LYS HE3 H 1 3.029 0.000 . 1 . . . . . 75 LYS HE3 . 50944 1 976 . 1 . 1 95 95 LYS C C 13 176.726 0.003 . 1 . . . . . 75 LYS C . 50944 1 977 . 1 . 1 95 95 LYS CA C 13 56.303 0.042 . 1 . . . . . 75 LYS CA . 50944 1 978 . 1 . 1 95 95 LYS CB C 13 33.112 0.057 . 1 . . . . . 75 LYS CB . 50944 1 979 . 1 . 1 95 95 LYS CG C 13 24.912 0.000 . 1 . . . . . 75 LYS CG . 50944 1 980 . 1 . 1 95 95 LYS CD C 13 29.100 0.000 . 1 . . . . . 75 LYS CD . 50944 1 981 . 1 . 1 95 95 LYS CE C 13 42.173 0.000 . 1 . . . . . 75 LYS CE . 50944 1 982 . 1 . 1 95 95 LYS N N 15 122.574 0.020 . 1 . . . . . 75 LYS N . 50944 1 983 . 1 . 1 96 96 LYS H H 1 8.413 0.002 . 1 . . . . . 76 LYS H . 50944 1 984 . 1 . 1 96 96 LYS HA H 1 4.311 0.000 . 1 . . . . . 76 LYS HA . 50944 1 985 . 1 . 1 96 96 LYS HB2 H 1 1.765 0.000 . 2 . . . . . 76 LYS HB2 . 50944 1 986 . 1 . 1 96 96 LYS HB3 H 1 1.850 0.000 . 2 . . . . . 76 LYS HB3 . 50944 1 987 . 1 . 1 96 96 LYS HG2 H 1 1.463 0.000 . 1 . . . . . 76 LYS HG2 . 50944 1 988 . 1 . 1 96 96 LYS HG3 H 1 1.463 0.000 . 1 . . . . . 76 LYS HG3 . 50944 1 989 . 1 . 1 96 96 LYS HD2 H 1 1.720 0.000 . 1 . . . . . 76 LYS HD2 . 50944 1 990 . 1 . 1 96 96 LYS HD3 H 1 1.720 0.000 . 1 . . . . . 76 LYS HD3 . 50944 1 991 . 1 . 1 96 96 LYS HE2 H 1 3.010 0.000 . 1 . . . . . 76 LYS HE2 . 50944 1 992 . 1 . 1 96 96 LYS HE3 H 1 3.010 0.000 . 1 . . . . . 76 LYS HE3 . 50944 1 993 . 1 . 1 96 96 LYS C C 13 176.170 0.012 . 1 . . . . . 76 LYS C . 50944 1 994 . 1 . 1 96 96 LYS CA C 13 56.122 0.037 . 1 . . . . . 76 LYS CA . 50944 1 995 . 1 . 1 96 96 LYS CB C 13 33.268 0.018 . 1 . . . . . 76 LYS CB . 50944 1 996 . 1 . 1 96 96 LYS CG C 13 24.753 0.000 . 1 . . . . . 76 LYS CG . 50944 1 997 . 1 . 1 96 96 LYS CD C 13 29.205 0.000 . 1 . . . . . 76 LYS CD . 50944 1 998 . 1 . 1 96 96 LYS CE C 13 42.177 0.000 . 1 . . . . . 76 LYS CE . 50944 1 999 . 1 . 1 96 96 LYS N N 15 123.289 0.012 . 1 . . . . . 76 LYS N . 50944 1 1000 . 1 . 1 97 97 ALA H H 1 8.487 0.002 . 1 . . . . . 77 ALA H . 50944 1 1001 . 1 . 1 97 97 ALA HA H 1 4.341 0.000 . 1 . . . . . 77 ALA HA . 50944 1 1002 . 1 . 1 97 97 ALA HB1 H 1 1.407 0.000 . 1 . . . . . 77 ALA HB1 . 50944 1 1003 . 1 . 1 97 97 ALA HB2 H 1 1.407 0.000 . 1 . . . . . 77 ALA HB2 . 50944 1 1004 . 1 . 1 97 97 ALA HB3 H 1 1.407 0.000 . 1 . . . . . 77 ALA HB3 . 50944 1 1005 . 1 . 1 97 97 ALA C C 13 177.596 0.040 . 1 . . . . . 77 ALA C . 50944 1 1006 . 1 . 1 97 97 ALA CA C 13 52.365 0.043 . 1 . . . . . 77 ALA CA . 50944 1 1007 . 1 . 1 97 97 ALA CB C 13 19.310 0.072 . 1 . . . . . 77 ALA CB . 50944 1 1008 . 1 . 1 97 97 ALA N N 15 126.697 0.015 . 1 . . . . . 77 ALA N . 50944 1 1009 . 1 . 1 98 98 ARG H H 1 8.503 0.002 . 1 . . . . . 78 ARG H . 50944 1 1010 . 1 . 1 98 98 ARG HA H 1 4.364 0.000 . 1 . . . . . 78 ARG HA . 50944 1 1011 . 1 . 1 98 98 ARG HB2 H 1 1.816 0.000 . 2 . . . . . 78 ARG HB2 . 50944 1 1012 . 1 . 1 98 98 ARG HB3 H 1 1.910 0.000 . 2 . . . . . 78 ARG HB3 . 50944 1 1013 . 1 . 1 98 98 ARG HG2 H 1 1.704 0.000 . 1 . . . . . 78 ARG HG2 . 50944 1 1014 . 1 . 1 98 98 ARG HG3 H 1 1.704 0.000 . 1 . . . . . 78 ARG HG3 . 50944 1 1015 . 1 . 1 98 98 ARG HD2 H 1 3.245 0.000 . 1 . . . . . 78 ARG HD2 . 50944 1 1016 . 1 . 1 98 98 ARG HD3 H 1 3.245 0.000 . 1 . . . . . 78 ARG HD3 . 50944 1 1017 . 1 . 1 98 98 ARG C C 13 176.644 0.000 . 1 . . . . . 78 ARG C . 50944 1 1018 . 1 . 1 98 98 ARG CA C 13 56.132 0.053 . 1 . . . . . 78 ARG CA . 50944 1 1019 . 1 . 1 98 98 ARG CB C 13 31.052 0.043 . 1 . . . . . 78 ARG CB . 50944 1 1020 . 1 . 1 98 98 ARG CG C 13 27.074 0.000 . 1 . . . . . 78 ARG CG . 50944 1 1021 . 1 . 1 98 98 ARG CD C 13 43.388 0.000 . 1 . . . . . 78 ARG CD . 50944 1 1022 . 1 . 1 98 98 ARG N N 15 121.411 0.011 . 1 . . . . . 78 ARG N . 50944 1 1023 . 1 . 1 99 99 GLY H H 1 8.359 0.002 . 1 . . . . . 79 GLY H . 50944 1 1024 . 1 . 1 99 99 GLY HA2 H 1 4.199 0.000 . 2 . . . . . 79 GLY HA2 . 50944 1 1025 . 1 . 1 99 99 GLY HA3 H 1 4.050 0.000 . 2 . . . . . 79 GLY HA3 . 50944 1 1026 . 1 . 1 99 99 GLY C C 13 171.576 0.000 . 1 . . . . . 79 GLY C . 50944 1 1027 . 1 . 1 99 99 GLY CA C 13 44.536 0.018 . 1 . . . . . 79 GLY CA . 50944 1 1028 . 1 . 1 99 99 GLY N N 15 110.364 0.021 . 1 . . . . . 79 GLY N . 50944 1 1029 . 1 . 1 100 100 PRO HA H 1 4.452 0.000 . 1 . . . . . 80 PRO HA . 50944 1 1030 . 1 . 1 100 100 PRO HB2 H 1 1.904 0.000 . 2 . . . . . 80 PRO HB2 . 50944 1 1031 . 1 . 1 100 100 PRO HB3 H 1 2.325 0.000 . 2 . . . . . 80 PRO HB3 . 50944 1 1032 . 1 . 1 100 100 PRO HG2 H 1 2.035 0.000 . 1 . . . . . 80 PRO HG2 . 50944 1 1033 . 1 . 1 100 100 PRO HG3 H 1 2.035 0.000 . 1 . . . . . 80 PRO HG3 . 50944 1 1034 . 1 . 1 100 100 PRO HD2 H 1 3.646 0.000 . 1 . . . . . 80 PRO HD2 . 50944 1 1035 . 1 . 1 100 100 PRO HD3 H 1 3.646 0.000 . 1 . . . . . 80 PRO HD3 . 50944 1 1036 . 1 . 1 100 100 PRO C C 13 176.947 0.007 . 1 . . . . . 80 PRO C . 50944 1 1037 . 1 . 1 100 100 PRO CA C 13 62.991 0.022 . 1 . . . . . 80 PRO CA . 50944 1 1038 . 1 . 1 100 100 PRO CB C 13 32.186 0.042 . 1 . . . . . 80 PRO CB . 50944 1 1039 . 1 . 1 100 100 PRO CG C 13 27.434 0.000 . 1 . . . . . 80 PRO CG . 50944 1 1040 . 1 . 1 100 100 PRO CD C 13 49.820 0.000 . 1 . . . . . 80 PRO CD . 50944 1 1041 . 1 . 1 101 101 ILE H H 1 8.361 0.001 . 1 . . . . . 81 ILE H . 50944 1 1042 . 1 . 1 101 101 ILE HA H 1 4.111 0.000 . 1 . . . . . 81 ILE HA . 50944 1 1043 . 1 . 1 101 101 ILE HB H 1 1.843 0.000 . 1 . . . . . 81 ILE HB . 50944 1 1044 . 1 . 1 101 101 ILE HG12 H 1 1.210 0.000 . 2 . . . . . 81 ILE HG12 . 50944 1 1045 . 1 . 1 101 101 ILE HG13 H 1 1.542 0.000 . 2 . . . . . 81 ILE HG13 . 50944 1 1046 . 1 . 1 101 101 ILE HG21 H 1 0.893 0.000 . 1 . . . . . 81 ILE HG21 . 50944 1 1047 . 1 . 1 101 101 ILE HG22 H 1 0.893 0.000 . 1 . . . . . 81 ILE HG22 . 50944 1 1048 . 1 . 1 101 101 ILE HG23 H 1 0.893 0.000 . 1 . . . . . 81 ILE HG23 . 50944 1 1049 . 1 . 1 101 101 ILE HD11 H 1 0.871 0.000 . 1 . . . . . 81 ILE HD11 . 50944 1 1050 . 1 . 1 101 101 ILE HD12 H 1 0.871 0.000 . 1 . . . . . 81 ILE HD12 . 50944 1 1051 . 1 . 1 101 101 ILE HD13 H 1 0.871 0.000 . 1 . . . . . 81 ILE HD13 . 50944 1 1052 . 1 . 1 101 101 ILE C C 13 176.399 0.004 . 1 . . . . . 81 ILE C . 50944 1 1053 . 1 . 1 101 101 ILE CA C 13 61.256 0.028 . 1 . . . . . 81 ILE CA . 50944 1 1054 . 1 . 1 101 101 ILE CB C 13 38.390 0.035 . 1 . . . . . 81 ILE CB . 50944 1 1055 . 1 . 1 101 101 ILE CG1 C 13 27.464 0.000 . 1 . . . . . 81 ILE CG1 . 50944 1 1056 . 1 . 1 101 101 ILE CG2 C 13 17.522 0.000 . 1 . . . . . 81 ILE CG2 . 50944 1 1057 . 1 . 1 101 101 ILE CD1 C 13 12.804 0.000 . 1 . . . . . 81 ILE CD1 . 50944 1 1058 . 1 . 1 101 101 ILE N N 15 121.647 0.016 . 1 . . . . . 81 ILE N . 50944 1 1059 . 1 . 1 102 102 LEU H H 1 8.446 0.002 . 1 . . . . . 82 LEU H . 50944 1 1060 . 1 . 1 102 102 LEU HA H 1 4.416 0.000 . 1 . . . . . 82 LEU HA . 50944 1 1061 . 1 . 1 102 102 LEU HB2 H 1 1.532 0.000 . 2 . . . . . 82 LEU HB2 . 50944 1 1062 . 1 . 1 102 102 LEU HB3 H 1 1.671 0.000 . 2 . . . . . 82 LEU HB3 . 50944 1 1063 . 1 . 1 102 102 LEU HG H 1 1.648 0.000 . 1 . . . . . 82 LEU HG . 50944 1 1064 . 1 . 1 102 102 LEU HD11 H 1 0.876 0.000 . 2 . . . . . 82 LEU HD11 . 50944 1 1065 . 1 . 1 102 102 LEU HD12 H 1 0.876 0.000 . 2 . . . . . 82 LEU HD12 . 50944 1 1066 . 1 . 1 102 102 LEU HD13 H 1 0.876 0.000 . 2 . . . . . 82 LEU HD13 . 50944 1 1067 . 1 . 1 102 102 LEU HD21 H 1 0.896 0.000 . 2 . . . . . 82 LEU HD21 . 50944 1 1068 . 1 . 1 102 102 LEU HD22 H 1 0.896 0.000 . 2 . . . . . 82 LEU HD22 . 50944 1 1069 . 1 . 1 102 102 LEU HD23 H 1 0.896 0.000 . 2 . . . . . 82 LEU HD23 . 50944 1 1070 . 1 . 1 102 102 LEU C C 13 177.100 0.011 . 1 . . . . . 82 LEU C . 50944 1 1071 . 1 . 1 102 102 LEU CA C 13 54.901 0.050 . 1 . . . . . 82 LEU CA . 50944 1 1072 . 1 . 1 102 102 LEU CB C 13 42.210 0.040 . 1 . . . . . 82 LEU CB . 50944 1 1073 . 1 . 1 102 102 LEU CG C 13 27.114 0.000 . 1 . . . . . 82 LEU CG . 50944 1 1074 . 1 . 1 102 102 LEU CD1 C 13 23.532 0.000 . 2 . . . . . 82 LEU CD1 . 50944 1 1075 . 1 . 1 102 102 LEU CD2 C 13 24.898 0.000 . 2 . . . . . 82 LEU CD2 . 50944 1 1076 . 1 . 1 102 102 LEU N N 15 127.534 0.010 . 1 . . . . . 82 LEU N . 50944 1 1077 . 1 . 1 103 103 ARG H H 1 8.464 0.003 . 1 . . . . . 83 ARG H . 50944 1 1078 . 1 . 1 103 103 ARG HA H 1 4.363 0.000 . 1 . . . . . 83 ARG HA . 50944 1 1079 . 1 . 1 103 103 ARG HB2 H 1 1.802 0.000 . 2 . . . . . 83 ARG HB2 . 50944 1 1080 . 1 . 1 103 103 ARG HB3 H 1 1.879 0.000 . 2 . . . . . 83 ARG HB3 . 50944 1 1081 . 1 . 1 103 103 ARG HG2 H 1 1.659 0.000 . 1 . . . . . 83 ARG HG2 . 50944 1 1082 . 1 . 1 103 103 ARG HG3 H 1 1.659 0.000 . 1 . . . . . 83 ARG HG3 . 50944 1 1083 . 1 . 1 103 103 ARG HD2 H 1 3.190 0.000 . 1 . . . . . 83 ARG HD2 . 50944 1 1084 . 1 . 1 103 103 ARG HD3 H 1 3.190 0.000 . 1 . . . . . 83 ARG HD3 . 50944 1 1085 . 1 . 1 103 103 ARG C C 13 176.782 0.004 . 1 . . . . . 83 ARG C . 50944 1 1086 . 1 . 1 103 103 ARG CA C 13 56.169 0.019 . 1 . . . . . 83 ARG CA . 50944 1 1087 . 1 . 1 103 103 ARG CB C 13 30.952 0.023 . 1 . . . . . 83 ARG CB . 50944 1 1088 . 1 . 1 103 103 ARG CG C 13 27.137 0.000 . 1 . . . . . 83 ARG CG . 50944 1 1089 . 1 . 1 103 103 ARG CD C 13 43.371 0.000 . 1 . . . . . 83 ARG CD . 50944 1 1090 . 1 . 1 103 103 ARG N N 15 122.461 0.009 . 1 . . . . . 83 ARG N . 50944 1 1091 . 1 . 1 104 104 GLY H H 1 8.531 0.003 . 1 . . . . . 84 GLY H . 50944 1 1092 . 1 . 1 104 104 GLY HA2 H 1 3.981 0.000 . 1 . . . . . 84 GLY HA2 . 50944 1 1093 . 1 . 1 104 104 GLY HA3 H 1 3.981 0.000 . 1 . . . . . 84 GLY HA3 . 50944 1 1094 . 1 . 1 104 104 GLY C C 13 174.204 0.009 . 1 . . . . . 84 GLY C . 50944 1 1095 . 1 . 1 104 104 GLY CA C 13 45.277 0.076 . 1 . . . . . 84 GLY CA . 50944 1 1096 . 1 . 1 104 104 GLY N N 15 110.085 0.031 . 1 . . . . . 84 GLY N . 50944 1 1097 . 1 . 1 105 105 ARG H H 1 8.284 0.003 . 1 . . . . . 85 ARG H . 50944 1 1098 . 1 . 1 105 105 ARG HA H 1 4.236 0.000 . 1 . . . . . 85 ARG HA . 50944 1 1099 . 1 . 1 105 105 ARG HB2 H 1 1.780 0.000 . 2 . . . . . 85 ARG HB2 . 50944 1 1100 . 1 . 1 105 105 ARG HB3 H 1 1.860 0.000 . 2 . . . . . 85 ARG HB3 . 50944 1 1101 . 1 . 1 105 105 ARG HG2 H 1 1.667 0.000 . 1 . . . . . 85 ARG HG2 . 50944 1 1102 . 1 . 1 105 105 ARG HG3 H 1 1.667 0.000 . 1 . . . . . 85 ARG HG3 . 50944 1 1103 . 1 . 1 105 105 ARG HD2 H 1 3.214 0.000 . 1 . . . . . 85 ARG HD2 . 50944 1 1104 . 1 . 1 105 105 ARG HD3 H 1 3.214 0.000 . 1 . . . . . 85 ARG HD3 . 50944 1 1105 . 1 . 1 105 105 ARG C C 13 176.334 0.009 . 1 . . . . . 85 ARG C . 50944 1 1106 . 1 . 1 105 105 ARG CA C 13 56.693 0.043 . 1 . . . . . 85 ARG CA . 50944 1 1107 . 1 . 1 105 105 ARG CB C 13 30.731 0.030 . 1 . . . . . 85 ARG CB . 50944 1 1108 . 1 . 1 105 105 ARG CG C 13 27.174 0.000 . 1 . . . . . 85 ARG CG . 50944 1 1109 . 1 . 1 105 105 ARG CD C 13 43.385 0.000 . 1 . . . . . 85 ARG CD . 50944 1 1110 . 1 . 1 105 105 ARG N N 15 120.741 0.032 . 1 . . . . . 85 ARG N . 50944 1 1111 . 1 . 1 106 106 TYR H H 1 8.314 0.003 . 1 . . . . . 86 TYR H . 50944 1 1112 . 1 . 1 106 106 TYR HA H 1 4.558 0.000 . 1 . . . . . 86 TYR HA . 50944 1 1113 . 1 . 1 106 106 TYR HB2 H 1 2.950 0.000 . 2 . . . . . 86 TYR HB2 . 50944 1 1114 . 1 . 1 106 106 TYR HB3 H 1 3.045 0.000 . 2 . . . . . 86 TYR HB3 . 50944 1 1115 . 1 . 1 106 106 TYR HD1 H 1 7.087 0.000 . 1 . . . . . 86 TYR HD1 . 50944 1 1116 . 1 . 1 106 106 TYR HD2 H 1 7.087 0.000 . 1 . . . . . 86 TYR HD2 . 50944 1 1117 . 1 . 1 106 106 TYR HE1 H 1 6.814 0.000 . 1 . . . . . 86 TYR HE1 . 50944 1 1118 . 1 . 1 106 106 TYR HE2 H 1 6.814 0.000 . 1 . . . . . 86 TYR HE2 . 50944 1 1119 . 1 . 1 106 106 TYR C C 13 175.749 0.006 . 1 . . . . . 86 TYR C . 50944 1 1120 . 1 . 1 106 106 TYR CA C 13 58.082 0.070 . 1 . . . . . 86 TYR CA . 50944 1 1121 . 1 . 1 106 106 TYR CB C 13 38.613 0.053 . 1 . . . . . 86 TYR CB . 50944 1 1122 . 1 . 1 106 106 TYR CD1 C 13 133.182 0.000 . 1 . . . . . 86 TYR CD1 . 50944 1 1123 . 1 . 1 106 106 TYR CD2 C 13 133.182 0.000 . 1 . . . . . 86 TYR CD2 . 50944 1 1124 . 1 . 1 106 106 TYR CE1 C 13 118.156 0.000 . 1 . . . . . 86 TYR CE1 . 50944 1 1125 . 1 . 1 106 106 TYR CE2 C 13 118.156 0.000 . 1 . . . . . 86 TYR CE2 . 50944 1 1126 . 1 . 1 106 106 TYR N N 15 120.535 0.008 . 1 . . . . . 86 TYR N . 50944 1 1127 . 1 . 1 107 107 HIS H H 1 8.193 0.002 . 1 . . . . . 87 HIS H . 50944 1 1128 . 1 . 1 107 107 HIS HA H 1 4.545 0.000 . 1 . . . . . 87 HIS HA . 50944 1 1129 . 1 . 1 107 107 HIS HB2 H 1 3.084 0.000 . 2 . . . . . 87 HIS HB2 . 50944 1 1130 . 1 . 1 107 107 HIS HB3 H 1 3.178 0.000 . 2 . . . . . 87 HIS HB3 . 50944 1 1131 . 1 . 1 107 107 HIS HE1 H 1 8.089 0.000 . 1 . . . . . 87 HIS HE1 . 50944 1 1132 . 1 . 1 107 107 HIS C C 13 174.930 0.003 . 1 . . . . . 87 HIS C . 50944 1 1133 . 1 . 1 107 107 HIS CA C 13 56.341 0.040 . 1 . . . . . 87 HIS CA . 50944 1 1134 . 1 . 1 107 107 HIS CB C 13 30.429 0.025 . 1 . . . . . 87 HIS CB . 50944 1 1135 . 1 . 1 107 107 HIS CE1 C 13 137.673 0.000 . 1 . . . . . 87 HIS CE1 . 50944 1 1136 . 1 . 1 107 107 HIS N N 15 121.521 0.060 . 1 . . . . . 87 HIS N . 50944 1 1137 . 1 . 1 108 108 ARG H H 1 8.320 0.003 . 1 . . . . . 88 ARG H . 50944 1 1138 . 1 . 1 108 108 ARG HA H 1 4.244 0.000 . 1 . . . . . 88 ARG HA . 50944 1 1139 . 1 . 1 108 108 ARG HB2 H 1 1.790 0.000 . 2 . . . . . 88 ARG HB2 . 50944 1 1140 . 1 . 1 108 108 ARG HB3 H 1 1.831 0.000 . 2 . . . . . 88 ARG HB3 . 50944 1 1141 . 1 . 1 108 108 ARG HG2 H 1 1.609 0.000 . 1 . . . . . 88 ARG HG2 . 50944 1 1142 . 1 . 1 108 108 ARG HG3 H 1 1.609 0.000 . 1 . . . . . 88 ARG HG3 . 50944 1 1143 . 1 . 1 108 108 ARG HD2 H 1 3.233 0.000 . 1 . . . . . 88 ARG HD2 . 50944 1 1144 . 1 . 1 108 108 ARG HD3 H 1 3.233 0.000 . 1 . . . . . 88 ARG HD3 . 50944 1 1145 . 1 . 1 108 108 ARG C C 13 176.512 0.002 . 1 . . . . . 88 ARG C . 50944 1 1146 . 1 . 1 108 108 ARG CA C 13 56.535 0.036 . 1 . . . . . 88 ARG CA . 50944 1 1147 . 1 . 1 108 108 ARG CB C 13 30.789 0.067 . 1 . . . . . 88 ARG CB . 50944 1 1148 . 1 . 1 108 108 ARG CG C 13 27.229 0.000 . 1 . . . . . 88 ARG CG . 50944 1 1149 . 1 . 1 108 108 ARG CD C 13 43.406 0.000 . 1 . . . . . 88 ARG CD . 50944 1 1150 . 1 . 1 108 108 ARG N N 15 122.360 0.021 . 1 . . . . . 88 ARG N . 50944 1 1151 . 1 . 1 109 109 LEU H H 1 8.373 0.002 . 1 . . . . . 89 LEU H . 50944 1 1152 . 1 . 1 109 109 LEU HA H 1 4.309 0.000 . 1 . . . . . 89 LEU HA . 50944 1 1153 . 1 . 1 109 109 LEU HB2 H 1 1.643 0.000 . 1 . . . . . 89 LEU HB2 . 50944 1 1154 . 1 . 1 109 109 LEU HB3 H 1 1.643 0.000 . 1 . . . . . 89 LEU HB3 . 50944 1 1155 . 1 . 1 109 109 LEU HG H 1 1.689 0.000 . 1 . . . . . 89 LEU HG . 50944 1 1156 . 1 . 1 109 109 LEU HD11 H 1 0.921 0.000 . 2 . . . . . 89 LEU HD11 . 50944 1 1157 . 1 . 1 109 109 LEU HD12 H 1 0.921 0.000 . 2 . . . . . 89 LEU HD12 . 50944 1 1158 . 1 . 1 109 109 LEU HD13 H 1 0.921 0.000 . 2 . . . . . 89 LEU HD13 . 50944 1 1159 . 1 . 1 109 109 LEU HD21 H 1 0.938 0.000 . 2 . . . . . 89 LEU HD21 . 50944 1 1160 . 1 . 1 109 109 LEU HD22 H 1 0.938 0.000 . 2 . . . . . 89 LEU HD22 . 50944 1 1161 . 1 . 1 109 109 LEU HD23 H 1 0.938 0.000 . 2 . . . . . 89 LEU HD23 . 50944 1 1162 . 1 . 1 109 109 LEU C C 13 177.653 0.018 . 1 . . . . . 89 LEU C . 50944 1 1163 . 1 . 1 109 109 LEU CA C 13 55.614 0.074 . 1 . . . . . 89 LEU CA . 50944 1 1164 . 1 . 1 109 109 LEU CB C 13 42.256 0.017 . 1 . . . . . 89 LEU CB . 50944 1 1165 . 1 . 1 109 109 LEU CG C 13 27.136 0.000 . 1 . . . . . 89 LEU CG . 50944 1 1166 . 1 . 1 109 109 LEU CD1 C 13 23.627 0.000 . 2 . . . . . 89 LEU CD1 . 50944 1 1167 . 1 . 1 109 109 LEU CD2 C 13 24.959 0.000 . 2 . . . . . 89 LEU CD2 . 50944 1 1168 . 1 . 1 109 109 LEU N N 15 123.271 0.010 . 1 . . . . . 89 LEU N . 50944 1 1169 . 1 . 1 110 110 LYS H H 1 8.331 0.002 . 1 . . . . . 90 LYS H . 50944 1 1170 . 1 . 1 110 110 LYS HA H 1 4.268 0.000 . 1 . . . . . 90 LYS HA . 50944 1 1171 . 1 . 1 110 110 LYS HB2 H 1 1.820 0.000 . 1 . . . . . 90 LYS HB2 . 50944 1 1172 . 1 . 1 110 110 LYS HB3 H 1 1.820 0.000 . 1 . . . . . 90 LYS HB3 . 50944 1 1173 . 1 . 1 110 110 LYS HG2 H 1 1.498 0.000 . 1 . . . . . 90 LYS HG2 . 50944 1 1174 . 1 . 1 110 110 LYS HG3 H 1 1.498 0.000 . 1 . . . . . 90 LYS HG3 . 50944 1 1175 . 1 . 1 110 110 LYS HD2 H 1 1.692 0.000 . 1 . . . . . 90 LYS HD2 . 50944 1 1176 . 1 . 1 110 110 LYS HD3 H 1 1.692 0.000 . 1 . . . . . 90 LYS HD3 . 50944 1 1177 . 1 . 1 110 110 LYS HE2 H 1 3.044 0.000 . 1 . . . . . 90 LYS HE2 . 50944 1 1178 . 1 . 1 110 110 LYS HE3 H 1 3.044 0.000 . 1 . . . . . 90 LYS HE3 . 50944 1 1179 . 1 . 1 110 110 LYS C C 13 176.964 0.013 . 1 . . . . . 90 LYS C . 50944 1 1180 . 1 . 1 110 110 LYS CA C 13 56.920 0.063 . 1 . . . . . 90 LYS CA . 50944 1 1181 . 1 . 1 110 110 LYS CB C 13 32.790 0.069 . 1 . . . . . 90 LYS CB . 50944 1 1182 . 1 . 1 110 110 LYS CG C 13 24.843 0.000 . 1 . . . . . 90 LYS CG . 50944 1 1183 . 1 . 1 110 110 LYS CD C 13 29.153 0.000 . 1 . . . . . 90 LYS CD . 50944 1 1184 . 1 . 1 110 110 LYS CE C 13 42.181 0.000 . 1 . . . . . 90 LYS CE . 50944 1 1185 . 1 . 1 110 110 LYS N N 15 121.949 0.006 . 1 . . . . . 90 LYS N . 50944 1 1186 . 1 . 1 111 111 GLU H H 1 8.390 0.002 . 1 . . . . . 91 GLU H . 50944 1 1187 . 1 . 1 111 111 GLU HA H 1 4.244 0.000 . 1 . . . . . 91 GLU HA . 50944 1 1188 . 1 . 1 111 111 GLU HB2 H 1 1.989 0.000 . 2 . . . . . 91 GLU HB2 . 50944 1 1189 . 1 . 1 111 111 GLU HB3 H 1 2.084 0.000 . 2 . . . . . 91 GLU HB3 . 50944 1 1190 . 1 . 1 111 111 GLU HG2 H 1 2.269 0.000 . 1 . . . . . 91 GLU HG2 . 50944 1 1191 . 1 . 1 111 111 GLU HG3 H 1 2.269 0.000 . 1 . . . . . 91 GLU HG3 . 50944 1 1192 . 1 . 1 111 111 GLU C C 13 176.684 0.016 . 1 . . . . . 91 GLU C . 50944 1 1193 . 1 . 1 111 111 GLU CA C 13 56.970 0.077 . 1 . . . . . 91 GLU CA . 50944 1 1194 . 1 . 1 111 111 GLU CB C 13 30.260 0.049 . 1 . . . . . 91 GLU CB . 50944 1 1195 . 1 . 1 111 111 GLU CG C 13 36.345 0.000 . 1 . . . . . 91 GLU CG . 50944 1 1196 . 1 . 1 111 111 GLU N N 15 121.770 0.000 . 1 . . . . . 91 GLU N . 50944 1 1197 . 1 . 1 112 112 LYS H H 1 8.360 0.002 . 1 . . . . . 92 LYS H . 50944 1 1198 . 1 . 1 112 112 LYS HA H 1 4.257 0.000 . 1 . . . . . 92 LYS HA . 50944 1 1199 . 1 . 1 112 112 LYS HB2 H 1 1.789 0.000 . 2 . . . . . 92 LYS HB2 . 50944 1 1200 . 1 . 1 112 112 LYS HB3 H 1 1.891 0.000 . 2 . . . . . 92 LYS HB3 . 50944 1 1201 . 1 . 1 112 112 LYS HG2 H 1 1.448 0.000 . 1 . . . . . 92 LYS HG2 . 50944 1 1202 . 1 . 1 112 112 LYS HG3 H 1 1.448 0.000 . 1 . . . . . 92 LYS HG3 . 50944 1 1203 . 1 . 1 112 112 LYS HD2 H 1 1.680 0.000 . 1 . . . . . 92 LYS HD2 . 50944 1 1204 . 1 . 1 112 112 LYS HD3 H 1 1.680 0.000 . 1 . . . . . 92 LYS HD3 . 50944 1 1205 . 1 . 1 112 112 LYS HE2 H 1 3.052 0.000 . 1 . . . . . 92 LYS HE2 . 50944 1 1206 . 1 . 1 112 112 LYS HE3 H 1 3.052 0.000 . 1 . . . . . 92 LYS HE3 . 50944 1 1207 . 1 . 1 112 112 LYS C C 13 176.832 0.018 . 1 . . . . . 92 LYS C . 50944 1 1208 . 1 . 1 112 112 LYS CA C 13 56.680 0.068 . 1 . . . . . 92 LYS CA . 50944 1 1209 . 1 . 1 112 112 LYS CB C 13 32.805 0.053 . 1 . . . . . 92 LYS CB . 50944 1 1210 . 1 . 1 112 112 LYS CG C 13 24.833 0.000 . 1 . . . . . 92 LYS CG . 50944 1 1211 . 1 . 1 112 112 LYS CD C 13 29.178 0.000 . 1 . . . . . 92 LYS CD . 50944 1 1212 . 1 . 1 112 112 LYS CE C 13 42.146 0.000 . 1 . . . . . 92 LYS CE . 50944 1 1213 . 1 . 1 112 112 LYS N N 15 122.104 0.016 . 1 . . . . . 92 LYS N . 50944 1 1214 . 1 . 1 113 113 MET H H 1 8.372 0.002 . 1 . . . . . 93 MET H . 50944 1 1215 . 1 . 1 113 113 MET HA H 1 4.433 0.000 . 1 . . . . . 93 MET HA . 50944 1 1216 . 1 . 1 113 113 MET HB2 H 1 2.048 0.000 . 2 . . . . . 93 MET HB2 . 50944 1 1217 . 1 . 1 113 113 MET HB3 H 1 2.101 0.000 . 2 . . . . . 93 MET HB3 . 50944 1 1218 . 1 . 1 113 113 MET HG2 H 1 2.561 0.000 . 2 . . . . . 93 MET HG2 . 50944 1 1219 . 1 . 1 113 113 MET HG3 H 1 2.643 0.000 . 2 . . . . . 93 MET HG3 . 50944 1 1220 . 1 . 1 113 113 MET HE1 H 1 2.114 0.000 . 1 . . . . . 93 MET HE1 . 50944 1 1221 . 1 . 1 113 113 MET HE2 H 1 2.114 0.000 . 1 . . . . . 93 MET HE2 . 50944 1 1222 . 1 . 1 113 113 MET HE3 H 1 2.114 0.000 . 1 . . . . . 93 MET HE3 . 50944 1 1223 . 1 . 1 113 113 MET C C 13 176.418 0.006 . 1 . . . . . 93 MET C . 50944 1 1224 . 1 . 1 113 113 MET CA C 13 55.848 0.023 . 1 . . . . . 93 MET CA . 50944 1 1225 . 1 . 1 113 113 MET CB C 13 33.106 0.045 . 1 . . . . . 93 MET CB . 50944 1 1226 . 1 . 1 113 113 MET CG C 13 32.024 0.014 . 1 . . . . . 93 MET CG . 50944 1 1227 . 1 . 1 113 113 MET CE C 13 16.987 0.000 . 1 . . . . . 93 MET CE . 50944 1 1228 . 1 . 1 113 113 MET N N 15 121.376 0.010 . 1 . . . . . 93 MET N . 50944 1 1229 . 1 . 1 114 114 LYS H H 1 8.388 0.003 . 1 . . . . . 94 LYS H . 50944 1 1230 . 1 . 1 114 114 LYS HA H 1 4.311 0.000 . 1 . . . . . 94 LYS HA . 50944 1 1231 . 1 . 1 114 114 LYS HB2 H 1 1.786 0.000 . 2 . . . . . 94 LYS HB2 . 50944 1 1232 . 1 . 1 114 114 LYS HB3 H 1 1.854 0.000 . 2 . . . . . 94 LYS HB3 . 50944 1 1233 . 1 . 1 114 114 LYS HG2 H 1 1.487 0.000 . 1 . . . . . 94 LYS HG2 . 50944 1 1234 . 1 . 1 114 114 LYS HG3 H 1 1.487 0.000 . 1 . . . . . 94 LYS HG3 . 50944 1 1235 . 1 . 1 114 114 LYS HD2 H 1 1.744 0.000 . 1 . . . . . 94 LYS HD2 . 50944 1 1236 . 1 . 1 114 114 LYS HD3 H 1 1.744 0.000 . 1 . . . . . 94 LYS HD3 . 50944 1 1237 . 1 . 1 114 114 LYS HE2 H 1 3.015 0.000 . 1 . . . . . 94 LYS HE2 . 50944 1 1238 . 1 . 1 114 114 LYS HE3 H 1 3.015 0.000 . 1 . . . . . 94 LYS HE3 . 50944 1 1239 . 1 . 1 114 114 LYS C C 13 176.800 0.011 . 1 . . . . . 94 LYS C . 50944 1 1240 . 1 . 1 114 114 LYS CA C 13 56.591 0.002 . 1 . . . . . 94 LYS CA . 50944 1 1241 . 1 . 1 114 114 LYS CB C 13 33.117 0.034 . 1 . . . . . 94 LYS CB . 50944 1 1242 . 1 . 1 114 114 LYS CG C 13 24.844 0.000 . 1 . . . . . 94 LYS CG . 50944 1 1243 . 1 . 1 114 114 LYS CD C 13 29.165 0.000 . 1 . . . . . 94 LYS CD . 50944 1 1244 . 1 . 1 114 114 LYS CE C 13 42.173 0.000 . 1 . . . . . 94 LYS CE . 50944 1 1245 . 1 . 1 114 114 LYS N N 15 123.014 0.008 . 1 . . . . . 94 LYS N . 50944 1 1246 . 1 . 1 115 115 LYS H H 1 8.468 0.003 . 1 . . . . . 95 LYS H . 50944 1 1247 . 1 . 1 115 115 LYS HA H 1 4.260 0.000 . 1 . . . . . 95 LYS HA . 50944 1 1248 . 1 . 1 115 115 LYS HB2 H 1 1.751 0.000 . 2 . . . . . 95 LYS HB2 . 50944 1 1249 . 1 . 1 115 115 LYS HB3 H 1 1.855 0.000 . 2 . . . . . 95 LYS HB3 . 50944 1 1250 . 1 . 1 115 115 LYS HG2 H 1 1.458 0.000 . 1 . . . . . 95 LYS HG2 . 50944 1 1251 . 1 . 1 115 115 LYS HG3 H 1 1.458 0.000 . 1 . . . . . 95 LYS HG3 . 50944 1 1252 . 1 . 1 115 115 LYS HD2 H 1 1.725 0.000 . 1 . . . . . 95 LYS HD2 . 50944 1 1253 . 1 . 1 115 115 LYS HD3 H 1 1.725 0.000 . 1 . . . . . 95 LYS HD3 . 50944 1 1254 . 1 . 1 115 115 LYS HE2 H 1 3.036 0.000 . 1 . . . . . 95 LYS HE2 . 50944 1 1255 . 1 . 1 115 115 LYS HE3 H 1 3.036 0.000 . 1 . . . . . 95 LYS HE3 . 50944 1 1256 . 1 . 1 115 115 LYS C C 13 176.838 0.014 . 1 . . . . . 95 LYS C . 50944 1 1257 . 1 . 1 115 115 LYS CA C 13 57.074 0.048 . 1 . . . . . 95 LYS CA . 50944 1 1258 . 1 . 1 115 115 LYS CB C 13 32.964 0.080 . 1 . . . . . 95 LYS CB . 50944 1 1259 . 1 . 1 115 115 LYS CG C 13 24.820 0.000 . 1 . . . . . 95 LYS CG . 50944 1 1260 . 1 . 1 115 115 LYS CD C 13 29.159 0.000 . 1 . . . . . 95 LYS CD . 50944 1 1261 . 1 . 1 115 115 LYS CE C 13 42.173 0.000 . 1 . . . . . 95 LYS CE . 50944 1 1262 . 1 . 1 115 115 LYS N N 15 123.660 0.006 . 1 . . . . . 95 LYS N . 50944 1 1263 . 1 . 1 116 116 GLU H H 1 8.656 0.002 . 1 . . . . . 96 GLU H . 50944 1 1264 . 1 . 1 116 116 GLU HA H 1 4.286 0.000 . 1 . . . . . 96 GLU HA . 50944 1 1265 . 1 . 1 116 116 GLU HB2 H 1 1.983 0.000 . 2 . . . . . 96 GLU HB2 . 50944 1 1266 . 1 . 1 116 116 GLU HB3 H 1 2.078 0.000 . 2 . . . . . 96 GLU HB3 . 50944 1 1267 . 1 . 1 116 116 GLU HG2 H 1 2.315 0.000 . 1 . . . . . 96 GLU HG2 . 50944 1 1268 . 1 . 1 116 116 GLU HG3 H 1 2.315 0.000 . 1 . . . . . 96 GLU HG3 . 50944 1 1269 . 1 . 1 116 116 GLU C C 13 176.998 0.017 . 1 . . . . . 96 GLU C . 50944 1 1270 . 1 . 1 116 116 GLU CA C 13 57.070 0.063 . 1 . . . . . 96 GLU CA . 50944 1 1271 . 1 . 1 116 116 GLU CB C 13 29.990 0.042 . 1 . . . . . 96 GLU CB . 50944 1 1272 . 1 . 1 116 116 GLU CG C 13 36.331 0.000 . 1 . . . . . 96 GLU CG . 50944 1 1273 . 1 . 1 116 116 GLU N N 15 121.754 0.022 . 1 . . . . . 96 GLU N . 50944 1 1274 . 1 . 1 117 117 GLU H H 1 8.380 0.004 . 1 . . . . . 97 GLU H . 50944 1 1275 . 1 . 1 117 117 GLU HA H 1 4.332 0.000 . 1 . . . . . 97 GLU HA . 50944 1 1276 . 1 . 1 117 117 GLU HB2 H 1 1.981 0.000 . 2 . . . . . 97 GLU HB2 . 50944 1 1277 . 1 . 1 117 117 GLU HB3 H 1 2.095 0.000 . 2 . . . . . 97 GLU HB3 . 50944 1 1278 . 1 . 1 117 117 GLU HG2 H 1 2.307 0.000 . 1 . . . . . 97 GLU HG2 . 50944 1 1279 . 1 . 1 117 117 GLU HG3 H 1 2.307 0.000 . 1 . . . . . 97 GLU HG3 . 50944 1 1280 . 1 . 1 117 117 GLU C C 13 176.664 0.010 . 1 . . . . . 97 GLU C . 50944 1 1281 . 1 . 1 117 117 GLU CA C 13 56.818 0.017 . 1 . . . . . 97 GLU CA . 50944 1 1282 . 1 . 1 117 117 GLU CB C 13 30.287 0.093 . 1 . . . . . 97 GLU CB . 50944 1 1283 . 1 . 1 117 117 GLU CG C 13 36.324 0.000 . 1 . . . . . 97 GLU CG . 50944 1 1284 . 1 . 1 117 117 GLU N N 15 121.426 0.069 . 1 . . . . . 97 GLU N . 50944 1 1285 . 1 . 1 118 118 ALA H H 1 8.338 0.002 . 1 . . . . . 98 ALA H . 50944 1 1286 . 1 . 1 118 118 ALA HA H 1 4.285 0.000 . 1 . . . . . 98 ALA HA . 50944 1 1287 . 1 . 1 118 118 ALA HB1 H 1 1.428 0.000 . 1 . . . . . 98 ALA HB1 . 50944 1 1288 . 1 . 1 118 118 ALA HB2 H 1 1.428 0.000 . 1 . . . . . 98 ALA HB2 . 50944 1 1289 . 1 . 1 118 118 ALA HB3 H 1 1.428 0.000 . 1 . . . . . 98 ALA HB3 . 50944 1 1290 . 1 . 1 118 118 ALA C C 13 177.988 0.015 . 1 . . . . . 98 ALA C . 50944 1 1291 . 1 . 1 118 118 ALA CA C 13 52.999 0.041 . 1 . . . . . 98 ALA CA . 50944 1 1292 . 1 . 1 118 118 ALA CB C 13 19.212 0.014 . 1 . . . . . 98 ALA CB . 50944 1 1293 . 1 . 1 118 118 ALA N N 15 124.436 0.008 . 1 . . . . . 98 ALA N . 50944 1 1294 . 1 . 1 119 119 ASP H H 1 8.381 0.002 . 1 . . . . . 99 ASP H . 50944 1 1295 . 1 . 1 119 119 ASP HA H 1 4.573 0.000 . 1 . . . . . 99 ASP HA . 50944 1 1296 . 1 . 1 119 119 ASP HB2 H 1 2.660 0.000 . 2 . . . . . 99 ASP HB2 . 50944 1 1297 . 1 . 1 119 119 ASP HB3 H 1 2.742 0.000 . 2 . . . . . 99 ASP HB3 . 50944 1 1298 . 1 . 1 119 119 ASP C C 13 176.659 0.006 . 1 . . . . . 99 ASP C . 50944 1 1299 . 1 . 1 119 119 ASP CA C 13 54.681 0.032 . 1 . . . . . 99 ASP CA . 50944 1 1300 . 1 . 1 119 119 ASP CB C 13 41.000 0.051 . 1 . . . . . 99 ASP CB . 50944 1 1301 . 1 . 1 119 119 ASP N N 15 119.253 0.038 . 1 . . . . . 99 ASP N . 50944 1 1302 . 1 . 1 120 120 LYS H H 1 8.160 0.002 . 1 . . . . . 100 LYS H . 50944 1 1303 . 1 . 1 120 120 LYS HA H 1 4.297 0.000 . 1 . . . . . 100 LYS HA . 50944 1 1304 . 1 . 1 120 120 LYS HB2 H 1 1.812 0.000 . 2 . . . . . 100 LYS HB2 . 50944 1 1305 . 1 . 1 120 120 LYS HB3 H 1 1.879 0.000 . 2 . . . . . 100 LYS HB3 . 50944 1 1306 . 1 . 1 120 120 LYS HG2 H 1 1.472 0.000 . 1 . . . . . 100 LYS HG2 . 50944 1 1307 . 1 . 1 120 120 LYS HG3 H 1 1.472 0.000 . 1 . . . . . 100 LYS HG3 . 50944 1 1308 . 1 . 1 120 120 LYS HD2 H 1 1.703 0.000 . 1 . . . . . 100 LYS HD2 . 50944 1 1309 . 1 . 1 120 120 LYS HD3 H 1 1.703 0.000 . 1 . . . . . 100 LYS HD3 . 50944 1 1310 . 1 . 1 120 120 LYS HE2 H 1 3.021 0.000 . 1 . . . . . 100 LYS HE2 . 50944 1 1311 . 1 . 1 120 120 LYS HE3 H 1 3.021 0.000 . 1 . . . . . 100 LYS HE3 . 50944 1 1312 . 1 . 1 120 120 LYS C C 13 176.940 0.068 . 1 . . . . . 100 LYS C . 50944 1 1313 . 1 . 1 120 120 LYS CA C 13 56.670 0.050 . 1 . . . . . 100 LYS CA . 50944 1 1314 . 1 . 1 120 120 LYS CB C 13 33.001 0.056 . 1 . . . . . 100 LYS CB . 50944 1 1315 . 1 . 1 120 120 LYS CG C 13 24.801 0.000 . 1 . . . . . 100 LYS CG . 50944 1 1316 . 1 . 1 120 120 LYS CD C 13 29.171 0.000 . 1 . . . . . 100 LYS CD . 50944 1 1317 . 1 . 1 120 120 LYS CE C 13 42.172 0.000 . 1 . . . . . 100 LYS CE . 50944 1 1318 . 1 . 1 120 120 LYS N N 15 121.458 0.006 . 1 . . . . . 100 LYS N . 50944 1 1319 . 1 . 1 121 121 GLU H H 1 8.454 0.003 . 1 . . . . . 101 GLU H . 50944 1 1320 . 1 . 1 121 121 GLU HA H 1 4.280 0.000 . 1 . . . . . 101 GLU HA . 50944 1 1321 . 1 . 1 121 121 GLU HB2 H 1 1.993 0.000 . 2 . . . . . 101 GLU HB2 . 50944 1 1322 . 1 . 1 121 121 GLU HB3 H 1 2.088 0.000 . 2 . . . . . 101 GLU HB3 . 50944 1 1323 . 1 . 1 121 121 GLU HG2 H 1 2.290 0.000 . 1 . . . . . 101 GLU HG2 . 50944 1 1324 . 1 . 1 121 121 GLU HG3 H 1 2.290 0.000 . 1 . . . . . 101 GLU HG3 . 50944 1 1325 . 1 . 1 121 121 GLU C C 13 176.812 0.000 . 1 . . . . . 101 GLU C . 50944 1 1326 . 1 . 1 121 121 GLU CA C 13 56.917 0.032 . 1 . . . . . 101 GLU CA . 50944 1 1327 . 1 . 1 121 121 GLU CB C 13 30.042 0.036 . 1 . . . . . 101 GLU CB . 50944 1 1328 . 1 . 1 121 121 GLU CG C 13 36.308 0.000 . 1 . . . . . 101 GLU CG . 50944 1 1329 . 1 . 1 121 121 GLU N N 15 121.615 0.034 . 1 . . . . . 101 GLU N . 50944 1 1330 . 1 . 1 122 122 GLN H H 1 8.453 0.002 . 1 . . . . . 102 GLN H . 50944 1 1331 . 1 . 1 122 122 GLN HA H 1 4.379 0.000 . 1 . . . . . 102 GLN HA . 50944 1 1332 . 1 . 1 122 122 GLN HB2 H 1 2.031 0.000 . 2 . . . . . 102 GLN HB2 . 50944 1 1333 . 1 . 1 122 122 GLN HB3 H 1 2.160 0.000 . 2 . . . . . 102 GLN HB3 . 50944 1 1334 . 1 . 1 122 122 GLN HG2 H 1 2.406 0.000 . 1 . . . . . 102 GLN HG2 . 50944 1 1335 . 1 . 1 122 122 GLN HG3 H 1 2.406 0.000 . 1 . . . . . 102 GLN HG3 . 50944 1 1336 . 1 . 1 122 122 GLN C C 13 176.147 0.004 . 1 . . . . . 102 GLN C . 50944 1 1337 . 1 . 1 122 122 GLN CA C 13 55.912 0.042 . 1 . . . . . 102 GLN CA . 50944 1 1338 . 1 . 1 122 122 GLN CB C 13 29.456 0.006 . 1 . . . . . 102 GLN CB . 50944 1 1339 . 1 . 1 122 122 GLN CG C 13 33.880 0.000 . 1 . . . . . 102 GLN CG . 50944 1 1340 . 1 . 1 122 122 GLN N N 15 121.337 0.004 . 1 . . . . . 102 GLN N . 50944 1 1341 . 1 . 1 123 123 SER H H 1 8.451 0.002 . 1 . . . . . 103 SER H . 50944 1 1342 . 1 . 1 123 123 SER HA H 1 4.483 0.000 . 1 . . . . . 103 SER HA . 50944 1 1343 . 1 . 1 123 123 SER HB2 H 1 3.923 0.000 . 1 . . . . . 103 SER HB2 . 50944 1 1344 . 1 . 1 123 123 SER HB3 H 1 3.923 0.000 . 1 . . . . . 103 SER HB3 . 50944 1 1345 . 1 . 1 123 123 SER C C 13 174.777 0.001 . 1 . . . . . 103 SER C . 50944 1 1346 . 1 . 1 123 123 SER CA C 13 58.576 0.080 . 1 . . . . . 103 SER CA . 50944 1 1347 . 1 . 1 123 123 SER CB C 13 63.879 0.082 . 1 . . . . . 103 SER CB . 50944 1 1348 . 1 . 1 123 123 SER N N 15 117.302 0.035 . 1 . . . . . 103 SER N . 50944 1 1349 . 1 . 1 124 124 GLU H H 1 8.610 0.002 . 1 . . . . . 104 GLU H . 50944 1 1350 . 1 . 1 124 124 GLU HA H 1 4.406 0.000 . 1 . . . . . 104 GLU HA . 50944 1 1351 . 1 . 1 124 124 GLU HB2 H 1 2.119 0.000 . 2 . . . . . 104 GLU HB2 . 50944 1 1352 . 1 . 1 124 124 GLU HB3 H 1 1.998 0.000 . 2 . . . . . 104 GLU HB3 . 50944 1 1353 . 1 . 1 124 124 GLU HG2 H 1 2.327 0.000 . 1 . . . . . 104 GLU HG2 . 50944 1 1354 . 1 . 1 124 124 GLU HG3 H 1 2.327 0.000 . 1 . . . . . 104 GLU HG3 . 50944 1 1355 . 1 . 1 124 124 GLU C C 13 176.747 0.009 . 1 . . . . . 104 GLU C . 50944 1 1356 . 1 . 1 124 124 GLU CA C 13 56.798 0.036 . 1 . . . . . 104 GLU CA . 50944 1 1357 . 1 . 1 124 124 GLU CB C 13 30.321 0.069 . 1 . . . . . 104 GLU CB . 50944 1 1358 . 1 . 1 124 124 GLU CG C 13 36.346 0.000 . 1 . . . . . 104 GLU CG . 50944 1 1359 . 1 . 1 124 124 GLU N N 15 122.991 0.022 . 1 . . . . . 104 GLU N . 50944 1 1360 . 1 . 1 125 125 THR H H 1 8.264 0.001 . 1 . . . . . 105 THR H . 50944 1 1361 . 1 . 1 125 125 THR HA H 1 4.446 0.000 . 1 . . . . . 105 THR HA . 50944 1 1362 . 1 . 1 125 125 THR HB H 1 4.252 0.000 . 1 . . . . . 105 THR HB . 50944 1 1363 . 1 . 1 125 125 THR HG21 H 1 1.230 0.000 . 1 . . . . . 105 THR HG21 . 50944 1 1364 . 1 . 1 125 125 THR HG22 H 1 1.230 0.000 . 1 . . . . . 105 THR HG22 . 50944 1 1365 . 1 . 1 125 125 THR HG23 H 1 1.230 0.000 . 1 . . . . . 105 THR HG23 . 50944 1 1366 . 1 . 1 125 125 THR C C 13 174.577 0.002 . 1 . . . . . 105 THR C . 50944 1 1367 . 1 . 1 125 125 THR CA C 13 61.975 0.045 . 1 . . . . . 105 THR CA . 50944 1 1368 . 1 . 1 125 125 THR CB C 13 69.843 0.017 . 1 . . . . . 105 THR CB . 50944 1 1369 . 1 . 1 125 125 THR CG2 C 13 21.589 0.000 . 1 . . . . . 105 THR CG2 . 50944 1 1370 . 1 . 1 125 125 THR N N 15 114.994 0.013 . 1 . . . . . 105 THR N . 50944 1 1371 . 1 . 1 126 126 SER H H 1 8.398 0.003 . 1 . . . . . 106 SER H . 50944 1 1372 . 1 . 1 126 126 SER HA H 1 4.442 0.000 . 1 . . . . . 106 SER HA . 50944 1 1373 . 1 . 1 126 126 SER HB2 H 1 3.886 0.000 . 1 . . . . . 106 SER HB2 . 50944 1 1374 . 1 . 1 126 126 SER HB3 H 1 3.886 0.000 . 1 . . . . . 106 SER HB3 . 50944 1 1375 . 1 . 1 126 126 SER C C 13 174.285 0.024 . 1 . . . . . 106 SER C . 50944 1 1376 . 1 . 1 126 126 SER CA C 13 58.402 0.055 . 1 . . . . . 106 SER CA . 50944 1 1377 . 1 . 1 126 126 SER CB C 13 63.836 0.028 . 1 . . . . . 106 SER CB . 50944 1 1378 . 1 . 1 126 126 SER N N 15 119.048 0.019 . 1 . . . . . 106 SER N . 50944 1 1379 . 1 . 1 127 127 VAL H H 1 8.253 0.002 . 1 . . . . . 107 VAL H . 50944 1 1380 . 1 . 1 127 127 VAL HA H 1 4.211 0.000 . 1 . . . . . 107 VAL HA . 50944 1 1381 . 1 . 1 127 127 VAL HB H 1 2.154 0.000 . 1 . . . . . 107 VAL HB . 50944 1 1382 . 1 . 1 127 127 VAL HG11 H 1 0.949 0.000 . 2 . . . . . 107 VAL HG11 . 50944 1 1383 . 1 . 1 127 127 VAL HG12 H 1 0.949 0.000 . 2 . . . . . 107 VAL HG12 . 50944 1 1384 . 1 . 1 127 127 VAL HG13 H 1 0.949 0.000 . 2 . . . . . 107 VAL HG13 . 50944 1 1385 . 1 . 1 127 127 VAL HG21 H 1 0.946 0.000 . 2 . . . . . 107 VAL HG21 . 50944 1 1386 . 1 . 1 127 127 VAL HG22 H 1 0.946 0.000 . 2 . . . . . 107 VAL HG22 . 50944 1 1387 . 1 . 1 127 127 VAL HG23 H 1 0.946 0.000 . 2 . . . . . 107 VAL HG23 . 50944 1 1388 . 1 . 1 127 127 VAL C C 13 175.310 0.009 . 1 . . . . . 107 VAL C . 50944 1 1389 . 1 . 1 127 127 VAL CA C 13 62.273 0.046 . 1 . . . . . 107 VAL CA . 50944 1 1390 . 1 . 1 127 127 VAL CB C 13 32.650 0.022 . 1 . . . . . 107 VAL CB . 50944 1 1391 . 1 . 1 127 127 VAL CG1 C 13 21.221 0.000 . 2 . . . . . 107 VAL CG1 . 50944 1 1392 . 1 . 1 127 127 VAL CG2 C 13 20.253 0.000 . 2 . . . . . 107 VAL CG2 . 50944 1 1393 . 1 . 1 127 127 VAL N N 15 122.320 0.022 . 1 . . . . . 107 VAL N . 50944 1 1394 . 1 . 1 128 128 LEU H H 1 7.966 0.001 . 1 . . . . . 108 LEU H . 50944 1 1395 . 1 . 1 128 128 LEU HA H 1 4.218 0.000 . 1 . . . . . 108 LEU HA . 50944 1 1396 . 1 . 1 128 128 LEU HB2 H 1 1.594 0.000 . 1 . . . . . 108 LEU HB2 . 50944 1 1397 . 1 . 1 128 128 LEU HB3 H 1 1.594 0.000 . 1 . . . . . 108 LEU HB3 . 50944 1 1398 . 1 . 1 128 128 LEU HG H 1 1.592 0.000 . 1 . . . . . 108 LEU HG . 50944 1 1399 . 1 . 1 128 128 LEU HD11 H 1 0.914 0.000 . 2 . . . . . 108 LEU HD11 . 50944 1 1400 . 1 . 1 128 128 LEU HD12 H 1 0.914 0.000 . 2 . . . . . 108 LEU HD12 . 50944 1 1401 . 1 . 1 128 128 LEU HD13 H 1 0.914 0.000 . 2 . . . . . 108 LEU HD13 . 50944 1 1402 . 1 . 1 128 128 LEU HD21 H 1 0.894 0.000 . 2 . . . . . 108 LEU HD21 . 50944 1 1403 . 1 . 1 128 128 LEU HD22 H 1 0.894 0.000 . 2 . . . . . 108 LEU HD22 . 50944 1 1404 . 1 . 1 128 128 LEU HD23 H 1 0.894 0.000 . 2 . . . . . 108 LEU HD23 . 50944 1 1405 . 1 . 1 128 128 LEU C C 13 182.495 0.000 . 1 . . . . . 108 LEU C . 50944 1 1406 . 1 . 1 128 128 LEU CA C 13 56.770 0.013 . 1 . . . . . 108 LEU CA . 50944 1 1407 . 1 . 1 128 128 LEU CB C 13 43.349 0.027 . 1 . . . . . 108 LEU CB . 50944 1 1408 . 1 . 1 128 128 LEU CG C 13 26.956 0.000 . 1 . . . . . 108 LEU CG . 50944 1 1409 . 1 . 1 128 128 LEU CD1 C 13 24.925 0.000 . 2 . . . . . 108 LEU CD1 . 50944 1 1410 . 1 . 1 128 128 LEU CD2 C 13 23.592 0.000 . 2 . . . . . 108 LEU CD2 . 50944 1 1411 . 1 . 1 128 128 LEU N N 15 131.469 0.015 . 1 . . . . . 108 LEU N . 50944 1 stop_ save_