data_50772 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50772 _Entry.Title ; The 1H, 15N, and 13C resonance assignments of the N-terminal domain of the nucleocapsid protein from the Middle East Respiratory Syndrome Coronavirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-17 _Entry.Accession_date 2021-02-17 _Entry.Last_release_date 2021-02-17 _Entry.Original_release_date 2021-02-17 _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 Talita 'de Araujo' . S. . 0000-0003-0509-0386 50772 2 Glauce Barbosa . M. . 0000-0003-4285-4170 50772 3 Karoline Sanches . . . 0000-0002-7259-6363 50772 4 Jessica Azevedo . M. . 0000-0001-8689-302X 50772 5 Katia Cabral . M.S. . 0000-0003-0817-4884 50772 6 Marcius Almeida . S. . 0000-0003-4921-8185 50772 7 Fabio Almeida . C.L. . 0000-0001-6046-7006 50772 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50772 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 50772 '15N chemical shifts' 131 50772 '1H chemical shifts' 800 50772 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 . . 2021-11-19 2021-02-17 update BMRB 'update entry citation' 50772 1 . . 2021-05-18 2021-02-17 original author 'original release' 50772 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50771 'N-terminal domain with SR rich region of MERS N Protein' 50772 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50772 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33914244 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The 1H, 15N, and 13C resonance assignments of the N-terminal domain of the nucleocapsid protein from the Middle East Respiratory Syndrome Coronavirus ; _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 341 _Citation.Page_last 345 _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 Talita 'de Araujo' . S. . . 50772 1 2 Glauce Barbosa . M. . . 50772 1 3 Karoline Sanches . . . . 50772 1 4 Jessica Azevedo . M. . . 50772 1 5 Katia Cabral . M.S. . . 50772 1 6 Marcius Almeida . S. . . 50772 1 7 Fabio Almeida . C.L. . . 50772 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Coronavirus 50772 1 MERS 50772 1 'N protein' 50772 1 NMR 50772 1 Nucleocapsid 50772 1 Nucleoprotein 50772 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50772 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of MERS N Protein' _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 'MERS N-NTD' 1 $entity_1 . . yes native no no . . . 50772 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50772 _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 ; GAAPNNTVSWYTGLTQHGKV PLTFPPGQGVPLNANSTPAQ NAGYWRRQDRKINTGNGIKQ LAPRWYFYYTGTGPEAALPF RAVKDGIVWVHEDGATDAPS TFGTRNPNNDSAIVTQFAPG TKLPKNFHIEGTGGNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _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_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 34 GLY . 50772 1 2 35 ALA . 50772 1 3 36 ALA . 50772 1 4 37 PRO . 50772 1 5 38 ASN . 50772 1 6 39 ASN . 50772 1 7 40 THR . 50772 1 8 41 VAL . 50772 1 9 42 SER . 50772 1 10 43 TRP . 50772 1 11 44 TYR . 50772 1 12 45 THR . 50772 1 13 46 GLY . 50772 1 14 47 LEU . 50772 1 15 48 THR . 50772 1 16 49 GLN . 50772 1 17 50 HIS . 50772 1 18 51 GLY . 50772 1 19 52 LYS . 50772 1 20 53 VAL . 50772 1 21 54 PRO . 50772 1 22 55 LEU . 50772 1 23 56 THR . 50772 1 24 57 PHE . 50772 1 25 58 PRO . 50772 1 26 59 PRO . 50772 1 27 60 GLY . 50772 1 28 61 GLN . 50772 1 29 62 GLY . 50772 1 30 63 VAL . 50772 1 31 64 PRO . 50772 1 32 65 LEU . 50772 1 33 66 ASN . 50772 1 34 67 ALA . 50772 1 35 68 ASN . 50772 1 36 69 SER . 50772 1 37 70 THR . 50772 1 38 71 PRO . 50772 1 39 72 ALA . 50772 1 40 73 GLN . 50772 1 41 74 ASN . 50772 1 42 75 ALA . 50772 1 43 76 GLY . 50772 1 44 77 TYR . 50772 1 45 78 TRP . 50772 1 46 79 ARG . 50772 1 47 80 ARG . 50772 1 48 81 GLN . 50772 1 49 82 ASP . 50772 1 50 83 ARG . 50772 1 51 84 LYS . 50772 1 52 85 ILE . 50772 1 53 86 ASN . 50772 1 54 87 THR . 50772 1 55 88 GLY . 50772 1 56 89 ASN . 50772 1 57 90 GLY . 50772 1 58 91 ILE . 50772 1 59 92 LYS . 50772 1 60 93 GLN . 50772 1 61 94 LEU . 50772 1 62 95 ALA . 50772 1 63 96 PRO . 50772 1 64 97 ARG . 50772 1 65 98 TRP . 50772 1 66 99 TYR . 50772 1 67 100 PHE . 50772 1 68 101 TYR . 50772 1 69 102 TYR . 50772 1 70 103 THR . 50772 1 71 104 GLY . 50772 1 72 105 THR . 50772 1 73 106 GLY . 50772 1 74 107 PRO . 50772 1 75 108 GLU . 50772 1 76 109 ALA . 50772 1 77 110 ALA . 50772 1 78 111 LEU . 50772 1 79 112 PRO . 50772 1 80 113 PHE . 50772 1 81 114 ARG . 50772 1 82 115 ALA . 50772 1 83 116 VAL . 50772 1 84 117 LYS . 50772 1 85 118 ASP . 50772 1 86 119 GLY . 50772 1 87 120 ILE . 50772 1 88 121 VAL . 50772 1 89 122 TRP . 50772 1 90 123 VAL . 50772 1 91 124 HIS . 50772 1 92 125 GLU . 50772 1 93 126 ASP . 50772 1 94 127 GLY . 50772 1 95 128 ALA . 50772 1 96 129 THR . 50772 1 97 130 ASP . 50772 1 98 131 ALA . 50772 1 99 132 PRO . 50772 1 100 133 SER . 50772 1 101 134 THR . 50772 1 102 135 PHE . 50772 1 103 136 GLY . 50772 1 104 137 THR . 50772 1 105 138 ARG . 50772 1 106 139 ASN . 50772 1 107 140 PRO . 50772 1 108 141 ASN . 50772 1 109 142 ASN . 50772 1 110 143 ASP . 50772 1 111 144 SER . 50772 1 112 145 ALA . 50772 1 113 146 ILE . 50772 1 114 147 VAL . 50772 1 115 148 THR . 50772 1 116 149 GLN . 50772 1 117 150 PHE . 50772 1 118 151 ALA . 50772 1 119 152 PRO . 50772 1 120 153 GLY . 50772 1 121 154 THR . 50772 1 122 155 LYS . 50772 1 123 156 LEU . 50772 1 124 157 PRO . 50772 1 125 158 LYS . 50772 1 126 159 ASN . 50772 1 127 160 PHE . 50772 1 128 161 HIS . 50772 1 129 162 ILE . 50772 1 130 163 GLU . 50772 1 131 164 GLY . 50772 1 132 165 THR . 50772 1 133 166 GLY . 50772 1 134 167 GLY . 50772 1 135 168 ASN . 50772 1 136 169 SER . 50772 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50772 1 . ALA 2 2 50772 1 . ALA 3 3 50772 1 . PRO 4 4 50772 1 . ASN 5 5 50772 1 . ASN 6 6 50772 1 . THR 7 7 50772 1 . VAL 8 8 50772 1 . SER 9 9 50772 1 . TRP 10 10 50772 1 . TYR 11 11 50772 1 . THR 12 12 50772 1 . GLY 13 13 50772 1 . LEU 14 14 50772 1 . THR 15 15 50772 1 . GLN 16 16 50772 1 . HIS 17 17 50772 1 . GLY 18 18 50772 1 . LYS 19 19 50772 1 . VAL 20 20 50772 1 . PRO 21 21 50772 1 . LEU 22 22 50772 1 . THR 23 23 50772 1 . PHE 24 24 50772 1 . PRO 25 25 50772 1 . PRO 26 26 50772 1 . GLY 27 27 50772 1 . GLN 28 28 50772 1 . GLY 29 29 50772 1 . VAL 30 30 50772 1 . PRO 31 31 50772 1 . LEU 32 32 50772 1 . ASN 33 33 50772 1 . ALA 34 34 50772 1 . ASN 35 35 50772 1 . SER 36 36 50772 1 . THR 37 37 50772 1 . PRO 38 38 50772 1 . ALA 39 39 50772 1 . GLN 40 40 50772 1 . ASN 41 41 50772 1 . ALA 42 42 50772 1 . GLY 43 43 50772 1 . TYR 44 44 50772 1 . TRP 45 45 50772 1 . ARG 46 46 50772 1 . ARG 47 47 50772 1 . GLN 48 48 50772 1 . ASP 49 49 50772 1 . ARG 50 50 50772 1 . LYS 51 51 50772 1 . ILE 52 52 50772 1 . ASN 53 53 50772 1 . THR 54 54 50772 1 . GLY 55 55 50772 1 . ASN 56 56 50772 1 . GLY 57 57 50772 1 . ILE 58 58 50772 1 . LYS 59 59 50772 1 . GLN 60 60 50772 1 . LEU 61 61 50772 1 . ALA 62 62 50772 1 . PRO 63 63 50772 1 . ARG 64 64 50772 1 . TRP 65 65 50772 1 . TYR 66 66 50772 1 . PHE 67 67 50772 1 . TYR 68 68 50772 1 . TYR 69 69 50772 1 . THR 70 70 50772 1 . GLY 71 71 50772 1 . THR 72 72 50772 1 . GLY 73 73 50772 1 . PRO 74 74 50772 1 . GLU 75 75 50772 1 . ALA 76 76 50772 1 . ALA 77 77 50772 1 . LEU 78 78 50772 1 . PRO 79 79 50772 1 . PHE 80 80 50772 1 . ARG 81 81 50772 1 . ALA 82 82 50772 1 . VAL 83 83 50772 1 . LYS 84 84 50772 1 . ASP 85 85 50772 1 . GLY 86 86 50772 1 . ILE 87 87 50772 1 . VAL 88 88 50772 1 . TRP 89 89 50772 1 . VAL 90 90 50772 1 . HIS 91 91 50772 1 . GLU 92 92 50772 1 . ASP 93 93 50772 1 . GLY 94 94 50772 1 . ALA 95 95 50772 1 . THR 96 96 50772 1 . ASP 97 97 50772 1 . ALA 98 98 50772 1 . PRO 99 99 50772 1 . SER 100 100 50772 1 . THR 101 101 50772 1 . PHE 102 102 50772 1 . GLY 103 103 50772 1 . THR 104 104 50772 1 . ARG 105 105 50772 1 . ASN 106 106 50772 1 . PRO 107 107 50772 1 . ASN 108 108 50772 1 . ASN 109 109 50772 1 . ASP 110 110 50772 1 . SER 111 111 50772 1 . ALA 112 112 50772 1 . ILE 113 113 50772 1 . VAL 114 114 50772 1 . THR 115 115 50772 1 . GLN 116 116 50772 1 . PHE 117 117 50772 1 . ALA 118 118 50772 1 . PRO 119 119 50772 1 . GLY 120 120 50772 1 . THR 121 121 50772 1 . LYS 122 122 50772 1 . LEU 123 123 50772 1 . PRO 124 124 50772 1 . LYS 125 125 50772 1 . ASN 126 126 50772 1 . PHE 127 127 50772 1 . HIS 128 128 50772 1 . ILE 129 129 50772 1 . GLU 130 130 50772 1 . GLY 131 131 50772 1 . THR 132 132 50772 1 . GLY 133 133 50772 1 . GLY 134 134 50772 1 . ASN 135 135 50772 1 . SER 136 136 50772 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 50772 _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 . 1335626 organism . 'Middle East Respiratory Syndrome Coronavirus' MERS-CoV . . Viruses . Betacoronavirus MERS-CoV . . . . . . . . . . . . . 50772 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 50772 _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 . . . plasmid . . pET28b(+) . . . 50772 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50772 _Sample.ID 1 _Sample.Name 'N-terminal domain of MERS N protein' _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 'N-terminal domain of MERS N Protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50772 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50772 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50772 1 4 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 50772 1 5 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 50772 1 6 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 50772 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 50772 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temperature condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 50772 1 pH 5.5 . pH 50772 1 pressure 1 . atm 50772 1 temperature 298 . K 50772 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50772 _Software.ID 1 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50772 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50772 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50772 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50772 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50772 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50772 _Software.ID 4 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50772 4 'peak picking' . 50772 4 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 50772 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50772 _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' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 4 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 9 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 13 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 14 '2D 1H-13C HSQC aromatic' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50772 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' NHSQC.ft2 . 'NMR experiment directory' . . 50772 1 13 '2D 1H-13C HSQC aliphatic' C-HSQC-Ali.ft2 . 'NMR experiment directory' . . 50772 1 14 '2D 1H-13C HSQC aromatic' CHSQC-aro.ft2 . 'NMR experiment directory' . . 50772 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 50772 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'MERS N-NTD' _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 . . . . . 50772 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50772 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50772 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 50772 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MERS N-NTD' _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' . . . 50772 1 2 '3D HNCO' . . . 50772 1 3 '3D HNCA' . . . 50772 1 4 '3D HN(CO)CACB' . . . 50772 1 5 '3D HNCACB' . . . 50772 1 6 '3D HBHA(CO)NH' . . . 50772 1 8 '3D HCCH-TOCSY' . . . 50772 1 9 '3D (H)CCH-TOCSY' . . . 50772 1 10 '3D 1H-15N NOESY' . . . 50772 1 11 '3D 1H-13C NOESY aliphatic' . . . 50772 1 12 '3D 1H-13C NOESY aromatic' . . . 50772 1 13 '2D 1H-13C HSQC aliphatic' . . . 50772 1 14 '2D 1H-13C HSQC aromatic' . . . 50772 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 1 $software_1 . . 50772 1 2 $software_2 . . 50772 1 3 $software_3 . . 50772 1 4 $software_4 . . 50772 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 2 2 ALA H H 1 8.438 0.000 . 1 . . . . . 35 ALA H . 50772 1 2 . 1 . 1 2 2 ALA HA H 1 4.364 0.000 . 1 . . . . . 35 ALA HA . 50772 1 3 . 1 . 1 2 2 ALA HB1 H 1 1.350 0.000 . 1 . . . . . 35 ALA HB1 . 50772 1 4 . 1 . 1 2 2 ALA HB2 H 1 1.350 0.000 . 1 . . . . . 35 ALA HB2 . 50772 1 5 . 1 . 1 2 2 ALA HB3 H 1 1.350 0.000 . 1 . . . . . 35 ALA HB3 . 50772 1 6 . 1 . 1 2 2 ALA C C 13 177.144 0.000 . 1 . . . . . 35 ALA C . 50772 1 7 . 1 . 1 2 2 ALA CA C 13 52.089 0.003 . 1 . . . . . 35 ALA CA . 50772 1 8 . 1 . 1 2 2 ALA CB C 13 19.528 0.017 . 1 . . . . . 35 ALA CB . 50772 1 9 . 1 . 1 2 2 ALA N N 15 125.316 0.000 . 1 . . . . . 35 ALA N . 50772 1 10 . 1 . 1 3 3 ALA H H 1 8.434 0.002 . 1 . . . . . 36 ALA H . 50772 1 11 . 1 . 1 3 3 ALA HA H 1 4.585 0.000 . 1 . . . . . 36 ALA HA . 50772 1 12 . 1 . 1 3 3 ALA HB1 H 1 1.357 0.000 . 1 . . . . . 36 ALA HB1 . 50772 1 13 . 1 . 1 3 3 ALA HB2 H 1 1.357 0.000 . 1 . . . . . 36 ALA HB2 . 50772 1 14 . 1 . 1 3 3 ALA HB3 H 1 1.357 0.000 . 1 . . . . . 36 ALA HB3 . 50772 1 15 . 1 . 1 3 3 ALA CA C 13 50.354 0.001 . 1 . . . . . 36 ALA CA . 50772 1 16 . 1 . 1 3 3 ALA CB C 13 18.055 0.003 . 1 . . . . . 36 ALA CB . 50772 1 17 . 1 . 1 3 3 ALA N N 15 125.276 0.023 . 1 . . . . . 36 ALA N . 50772 1 18 . 1 . 1 4 4 PRO HA H 1 4.367 0.000 . 1 . . . . . 37 PRO HA . 50772 1 19 . 1 . 1 4 4 PRO HB2 H 1 2.258 0.000 . 2 . . . . . 37 PRO HB2 . 50772 1 20 . 1 . 1 4 4 PRO HB3 H 1 1.894 0.000 . 2 . . . . . 37 PRO HB3 . 50772 1 21 . 1 . 1 4 4 PRO HG2 H 1 1.890 0.000 . 2 . . . . . 37 PRO HG2 . 50772 1 22 . 1 . 1 4 4 PRO HG3 H 1 2.019 0.000 . 2 . . . . . 37 PRO HG3 . 50772 1 23 . 1 . 1 4 4 PRO HD2 H 1 3.805 0.000 . 2 . . . . . 37 PRO HD2 . 50772 1 24 . 1 . 1 4 4 PRO HD3 H 1 3.668 0.000 . 2 . . . . . 37 PRO HD3 . 50772 1 25 . 1 . 1 4 4 PRO C C 13 176.634 0.000 . 1 . . . . . 37 PRO C . 50772 1 26 . 1 . 1 4 4 PRO CA C 13 63.224 0.001 . 1 . . . . . 37 PRO CA . 50772 1 27 . 1 . 1 4 4 PRO CB C 13 32.220 0.072 . 1 . . . . . 37 PRO CB . 50772 1 28 . 1 . 1 4 4 PRO CG C 13 27.473 0.038 . 1 . . . . . 37 PRO CG . 50772 1 29 . 1 . 1 4 4 PRO CD C 13 50.622 0.019 . 1 . . . . . 37 PRO CD . 50772 1 30 . 1 . 1 5 5 ASN H H 1 8.455 0.004 . 1 . . . . . 38 ASN H . 50772 1 31 . 1 . 1 5 5 ASN HA H 1 4.656 0.000 . 1 . . . . . 38 ASN HA . 50772 1 32 . 1 . 1 5 5 ASN HB2 H 1 2.813 0.000 . 1 . . . . . 38 ASN HB2 . 50772 1 33 . 1 . 1 5 5 ASN HB3 H 1 2.813 0.000 . 1 . . . . . 38 ASN HB3 . 50772 1 34 . 1 . 1 5 5 ASN C C 13 175.412 0.000 . 1 . . . . . 38 ASN C . 50772 1 35 . 1 . 1 5 5 ASN CA C 13 53.110 0.067 . 1 . . . . . 38 ASN CA . 50772 1 36 . 1 . 1 5 5 ASN CB C 13 38.611 0.020 . 1 . . . . . 38 ASN CB . 50772 1 37 . 1 . 1 5 5 ASN N N 15 118.102 0.014 . 1 . . . . . 38 ASN N . 50772 1 38 . 1 . 1 6 6 ASN H H 1 8.361 0.001 . 1 . . . . . 39 ASN H . 50772 1 39 . 1 . 1 6 6 ASN HA H 1 4.756 0.000 . 1 . . . . . 39 ASN HA . 50772 1 40 . 1 . 1 6 6 ASN HB2 H 1 2.799 0.000 . 2 . . . . . 39 ASN HB2 . 50772 1 41 . 1 . 1 6 6 ASN HB3 H 1 2.761 0.000 . 2 . . . . . 39 ASN HB3 . 50772 1 42 . 1 . 1 6 6 ASN HD21 H 1 7.642 0.000 . 1 . . . . . 39 ASN HD21 . 50772 1 43 . 1 . 1 6 6 ASN HD22 H 1 6.871 0.000 . 1 . . . . . 39 ASN HD22 . 50772 1 44 . 1 . 1 6 6 ASN C C 13 175.000 0.000 . 1 . . . . . 39 ASN C . 50772 1 45 . 1 . 1 6 6 ASN CA C 13 53.199 0.038 . 1 . . . . . 39 ASN CA . 50772 1 46 . 1 . 1 6 6 ASN CB C 13 38.560 0.015 . 1 . . . . . 39 ASN CB . 50772 1 47 . 1 . 1 6 6 ASN N N 15 112.989 0.000 . 1 . . . . . 39 ASN N . 50772 1 48 . 1 . 1 6 6 ASN ND2 N 15 112.987 0.003 . 1 . . . . . 39 ASN ND2 . 50772 1 49 . 1 . 1 7 7 THR H H 1 7.814 0.002 . 1 . . . . . 40 THR H . 50772 1 50 . 1 . 1 7 7 THR HA H 1 4.490 0.000 . 1 . . . . . 40 THR HA . 50772 1 51 . 1 . 1 7 7 THR HB H 1 4.328 0.000 . 1 . . . . . 40 THR HB . 50772 1 52 . 1 . 1 7 7 THR HG21 H 1 1.189 0.000 . 1 . . . . . 40 THR HG21 . 50772 1 53 . 1 . 1 7 7 THR HG22 H 1 1.189 0.000 . 1 . . . . . 40 THR HG22 . 50772 1 54 . 1 . 1 7 7 THR HG23 H 1 1.189 0.000 . 1 . . . . . 40 THR HG23 . 50772 1 55 . 1 . 1 7 7 THR C C 13 175.127 0.000 . 1 . . . . . 40 THR C . 50772 1 56 . 1 . 1 7 7 THR CA C 13 61.637 0.014 . 1 . . . . . 40 THR CA . 50772 1 57 . 1 . 1 7 7 THR CB C 13 70.345 0.140 . 1 . . . . . 40 THR CB . 50772 1 58 . 1 . 1 7 7 THR CG2 C 13 21.675 0.000 . 1 . . . . . 40 THR CG2 . 50772 1 59 . 1 . 1 7 7 THR N N 15 107.461 0.030 . 1 . . . . . 40 THR N . 50772 1 60 . 1 . 1 8 8 VAL H H 1 8.472 0.006 . 1 . . . . . 41 VAL H . 50772 1 61 . 1 . 1 8 8 VAL HA H 1 4.157 0.000 . 1 . . . . . 41 VAL HA . 50772 1 62 . 1 . 1 8 8 VAL HB H 1 2.385 0.000 . 1 . . . . . 41 VAL HB . 50772 1 63 . 1 . 1 8 8 VAL HG11 H 1 0.717 0.000 . 2 . . . . . 41 VAL HG11 . 50772 1 64 . 1 . 1 8 8 VAL HG12 H 1 0.717 0.000 . 2 . . . . . 41 VAL HG12 . 50772 1 65 . 1 . 1 8 8 VAL HG13 H 1 0.717 0.000 . 2 . . . . . 41 VAL HG13 . 50772 1 66 . 1 . 1 8 8 VAL HG21 H 1 0.738 0.000 . 2 . . . . . 41 VAL HG21 . 50772 1 67 . 1 . 1 8 8 VAL HG22 H 1 0.738 0.000 . 2 . . . . . 41 VAL HG22 . 50772 1 68 . 1 . 1 8 8 VAL HG23 H 1 0.738 0.000 . 2 . . . . . 41 VAL HG23 . 50772 1 69 . 1 . 1 8 8 VAL C C 13 174.715 0.000 . 1 . . . . . 41 VAL C . 50772 1 70 . 1 . 1 8 8 VAL CA C 13 62.477 0.157 . 1 . . . . . 41 VAL CA . 50772 1 71 . 1 . 1 8 8 VAL CB C 13 31.661 0.053 . 1 . . . . . 41 VAL CB . 50772 1 72 . 1 . 1 8 8 VAL CG1 C 13 21.973 0.000 . 2 . . . . . 41 VAL CG1 . 50772 1 73 . 1 . 1 8 8 VAL CG2 C 13 20.447 0.000 . 2 . . . . . 41 VAL CG2 . 50772 1 74 . 1 . 1 8 8 VAL N N 15 124.250 0.025 . 1 . . . . . 41 VAL N . 50772 1 75 . 1 . 1 9 9 SER H H 1 8.172 0.002 . 1 . . . . . 42 SER H . 50772 1 76 . 1 . 1 9 9 SER HA H 1 4.170 0.008 . 1 . . . . . 42 SER HA . 50772 1 77 . 1 . 1 9 9 SER HB2 H 1 3.760 0.004 . 2 . . . . . 42 SER HB2 . 50772 1 78 . 1 . 1 9 9 SER HB3 H 1 3.336 0.000 . 2 . . . . . 42 SER HB3 . 50772 1 79 . 1 . 1 9 9 SER C C 13 176.518 0.000 . 1 . . . . . 42 SER C . 50772 1 80 . 1 . 1 9 9 SER CA C 13 57.752 0.059 . 1 . . . . . 42 SER CA . 50772 1 81 . 1 . 1 9 9 SER CB C 13 63.201 0.044 . 1 . . . . . 42 SER CB . 50772 1 82 . 1 . 1 9 9 SER N N 15 119.031 0.026 . 1 . . . . . 42 SER N . 50772 1 83 . 1 . 1 10 10 TRP H H 1 9.741 0.007 . 1 . . . . . 43 TRP H . 50772 1 84 . 1 . 1 10 10 TRP HA H 1 3.967 0.000 . 1 . . . . . 43 TRP HA . 50772 1 85 . 1 . 1 10 10 TRP HB2 H 1 2.760 0.022 . 2 . . . . . 43 TRP HB2 . 50772 1 86 . 1 . 1 10 10 TRP HB3 H 1 2.493 0.000 . 2 . . . . . 43 TRP HB3 . 50772 1 87 . 1 . 1 10 10 TRP HD1 H 1 6.569 0.009 . 1 . . . . . 43 TRP HD1 . 50772 1 88 . 1 . 1 10 10 TRP HE3 H 1 7.547 0.010 . 1 . . . . . 43 TRP HE3 . 50772 1 89 . 1 . 1 10 10 TRP HZ2 H 1 7.500 0.027 . 1 . . . . . 43 TRP HZ2 . 50772 1 90 . 1 . 1 10 10 TRP HZ3 H 1 6.986 0.020 . 1 . . . . . 43 TRP HZ3 . 50772 1 91 . 1 . 1 10 10 TRP HH2 H 1 7.231 0.003 . 1 . . . . . 43 TRP HH2 . 50772 1 92 . 1 . 1 10 10 TRP C C 13 174.115 0.000 . 1 . . . . . 43 TRP C . 50772 1 93 . 1 . 1 10 10 TRP CA C 13 61.232 0.057 . 1 . . . . . 43 TRP CA . 50772 1 94 . 1 . 1 10 10 TRP CB C 13 30.565 0.082 . 1 . . . . . 43 TRP CB . 50772 1 95 . 1 . 1 10 10 TRP CD1 C 13 122.035 0.000 . 1 . . . . . 43 TRP CD1 . 50772 1 96 . 1 . 1 10 10 TRP CE3 C 13 119.561 0.089 . 1 . . . . . 43 TRP CE3 . 50772 1 97 . 1 . 1 10 10 TRP CZ2 C 13 115.523 0.000 . 1 . . . . . 43 TRP CZ2 . 50772 1 98 . 1 . 1 10 10 TRP CZ3 C 13 122.153 0.000 . 1 . . . . . 43 TRP CZ3 . 50772 1 99 . 1 . 1 10 10 TRP CH2 C 13 125.298 0.002 . 1 . . . . . 43 TRP CH2 . 50772 1 100 . 1 . 1 10 10 TRP N N 15 127.615 0.057 . 1 . . . . . 43 TRP N . 50772 1 101 . 1 . 1 11 11 TYR H H 1 8.027 0.016 . 1 . . . . . 44 TYR H . 50772 1 102 . 1 . 1 11 11 TYR HA H 1 5.868 0.002 . 1 . . . . . 44 TYR HA . 50772 1 103 . 1 . 1 11 11 TYR HB2 H 1 4.154 0.000 . 2 . . . . . 44 TYR HB2 . 50772 1 104 . 1 . 1 11 11 TYR HB3 H 1 2.542 0.000 . 2 . . . . . 44 TYR HB3 . 50772 1 105 . 1 . 1 11 11 TYR HD1 H 1 6.813 0.000 . 1 . . . . . 44 TYR HD1 . 50772 1 106 . 1 . 1 11 11 TYR HD2 H 1 6.813 0.000 . 1 . . . . . 44 TYR HD2 . 50772 1 107 . 1 . 1 11 11 TYR C C 13 178.411 0.000 . 1 . . . . . 44 TYR C . 50772 1 108 . 1 . 1 11 11 TYR CA C 13 56.842 0.032 . 1 . . . . . 44 TYR CA . 50772 1 109 . 1 . 1 11 11 TYR CB C 13 41.775 0.045 . 1 . . . . . 44 TYR CB . 50772 1 110 . 1 . 1 11 11 TYR N N 15 114.308 0.069 . 1 . . . . . 44 TYR N . 50772 1 111 . 1 . 1 12 12 THR H H 1 8.336 0.002 . 1 . . . . . 45 THR H . 50772 1 112 . 1 . 1 12 12 THR HA H 1 4.543 0.000 . 1 . . . . . 45 THR HA . 50772 1 113 . 1 . 1 12 12 THR HB H 1 4.517 0.000 . 1 . . . . . 45 THR HB . 50772 1 114 . 1 . 1 12 12 THR HG21 H 1 1.225 0.000 . 1 . . . . . 45 THR HG21 . 50772 1 115 . 1 . 1 12 12 THR HG22 H 1 1.225 0.000 . 1 . . . . . 45 THR HG22 . 50772 1 116 . 1 . 1 12 12 THR HG23 H 1 1.225 0.000 . 1 . . . . . 45 THR HG23 . 50772 1 117 . 1 . 1 12 12 THR C C 13 177.004 0.000 . 1 . . . . . 45 THR C . 50772 1 118 . 1 . 1 12 12 THR CA C 13 61.894 0.079 . 1 . . . . . 45 THR CA . 50772 1 119 . 1 . 1 12 12 THR CB C 13 70.532 0.037 . 1 . . . . . 45 THR CB . 50772 1 120 . 1 . 1 12 12 THR CG2 C 13 22.114 0.000 . 1 . . . . . 45 THR CG2 . 50772 1 121 . 1 . 1 12 12 THR N N 15 112.939 0.033 . 1 . . . . . 45 THR N . 50772 1 122 . 1 . 1 13 13 GLY H H 1 9.089 0.002 . 1 . . . . . 46 GLY H . 50772 1 123 . 1 . 1 13 13 GLY HA2 H 1 4.605 0.000 . 2 . . . . . 46 GLY HA2 . 50772 1 124 . 1 . 1 13 13 GLY HA3 H 1 2.841 0.000 . 2 . . . . . 46 GLY HA3 . 50772 1 125 . 1 . 1 13 13 GLY C C 13 171.301 0.000 . 1 . . . . . 46 GLY C . 50772 1 126 . 1 . 1 13 13 GLY CA C 13 45.256 0.011 . 1 . . . . . 46 GLY CA . 50772 1 127 . 1 . 1 13 13 GLY N N 15 109.037 0.036 . 1 . . . . . 46 GLY N . 50772 1 128 . 1 . 1 14 14 LEU H H 1 9.045 0.001 . 1 . . . . . 47 LEU H . 50772 1 129 . 1 . 1 14 14 LEU HA H 1 5.236 0.000 . 1 . . . . . 47 LEU HA . 50772 1 130 . 1 . 1 14 14 LEU HB2 H 1 1.343 0.000 . 2 . . . . . 47 LEU HB2 . 50772 1 131 . 1 . 1 14 14 LEU HB3 H 1 1.713 0.000 . 2 . . . . . 47 LEU HB3 . 50772 1 132 . 1 . 1 14 14 LEU HG H 1 1.735 0.000 . 1 . . . . . 47 LEU HG . 50772 1 133 . 1 . 1 14 14 LEU HD11 H 1 0.019 0.000 . 2 . . . . . 47 LEU HD11 . 50772 1 134 . 1 . 1 14 14 LEU HD12 H 1 0.019 0.000 . 2 . . . . . 47 LEU HD12 . 50772 1 135 . 1 . 1 14 14 LEU HD13 H 1 0.019 0.000 . 2 . . . . . 47 LEU HD13 . 50772 1 136 . 1 . 1 14 14 LEU HD21 H 1 0.640 0.000 . 2 . . . . . 47 LEU HD21 . 50772 1 137 . 1 . 1 14 14 LEU HD22 H 1 0.640 0.000 . 2 . . . . . 47 LEU HD22 . 50772 1 138 . 1 . 1 14 14 LEU HD23 H 1 0.640 0.000 . 2 . . . . . 47 LEU HD23 . 50772 1 139 . 1 . 1 14 14 LEU C C 13 177.468 0.020 . 1 . . . . . 47 LEU C . 50772 1 140 . 1 . 1 14 14 LEU CA C 13 52.720 0.017 . 1 . . . . . 47 LEU CA . 50772 1 141 . 1 . 1 14 14 LEU CB C 13 44.537 0.006 . 1 . . . . . 47 LEU CB . 50772 1 142 . 1 . 1 14 14 LEU CG C 13 27.489 0.000 . 1 . . . . . 47 LEU CG . 50772 1 143 . 1 . 1 14 14 LEU CD1 C 13 24.980 0.000 . 2 . . . . . 47 LEU CD1 . 50772 1 144 . 1 . 1 14 14 LEU CD2 C 13 25.164 0.000 . 2 . . . . . 47 LEU CD2 . 50772 1 145 . 1 . 1 14 14 LEU N N 15 116.640 0.006 . 1 . . . . . 47 LEU N . 50772 1 146 . 1 . 1 15 15 THR H H 1 9.600 0.003 . 1 . . . . . 48 THR H . 50772 1 147 . 1 . 1 15 15 THR HA H 1 4.628 0.008 . 1 . . . . . 48 THR HA . 50772 1 148 . 1 . 1 15 15 THR HB H 1 3.890 0.004 . 1 . . . . . 48 THR HB . 50772 1 149 . 1 . 1 15 15 THR C C 13 172.705 0.000 . 1 . . . . . 48 THR C . 50772 1 150 . 1 . 1 15 15 THR CA C 13 63.184 0.049 . 1 . . . . . 48 THR CA . 50772 1 151 . 1 . 1 15 15 THR CB C 13 68.913 0.071 . 1 . . . . . 48 THR CB . 50772 1 152 . 1 . 1 15 15 THR N N 15 122.375 0.066 . 1 . . . . . 48 THR N . 50772 1 153 . 1 . 1 16 16 GLN H H 1 8.557 0.003 . 1 . . . . . 49 GLN H . 50772 1 154 . 1 . 1 16 16 GLN HA H 1 3.041 0.000 . 1 . . . . . 49 GLN HA . 50772 1 155 . 1 . 1 16 16 GLN HB2 H 1 2.104 0.000 . 2 . . . . . 49 GLN HB2 . 50772 1 156 . 1 . 1 16 16 GLN HB3 H 1 1.684 0.000 . 2 . . . . . 49 GLN HB3 . 50772 1 157 . 1 . 1 16 16 GLN HG2 H 1 1.801 0.011 . 1 . . . . . 49 GLN HG2 . 50772 1 158 . 1 . 1 16 16 GLN HG3 H 1 1.803 0.010 . 1 . . . . . 49 GLN HG3 . 50772 1 159 . 1 . 1 16 16 GLN HE21 H 1 6.533 0.007 . 1 . . . . . 49 GLN HE21 . 50772 1 160 . 1 . 1 16 16 GLN HE22 H 1 7.126 0.003 . 1 . . . . . 49 GLN HE22 . 50772 1 161 . 1 . 1 16 16 GLN C C 13 173.505 0.000 . 1 . . . . . 49 GLN C . 50772 1 162 . 1 . 1 16 16 GLN CA C 13 54.211 0.095 . 1 . . . . . 49 GLN CA . 50772 1 163 . 1 . 1 16 16 GLN CB C 13 30.574 0.043 . 1 . . . . . 49 GLN CB . 50772 1 164 . 1 . 1 16 16 GLN CG C 13 32.747 0.000 . 1 . . . . . 49 GLN CG . 50772 1 165 . 1 . 1 16 16 GLN N N 15 110.072 0.000 . 1 . . . . . 49 GLN N . 50772 1 166 . 1 . 1 16 16 GLN NE2 N 15 110.054 0.014 . 1 . . . . . 49 GLN NE2 . 50772 1 167 . 1 . 1 17 17 HIS H H 1 8.120 0.002 . 1 . . . . . 50 HIS H . 50772 1 168 . 1 . 1 17 17 HIS HA H 1 4.652 0.014 . 1 . . . . . 50 HIS HA . 50772 1 169 . 1 . 1 17 17 HIS HB2 H 1 3.079 0.000 . 1 . . . . . 50 HIS HB2 . 50772 1 170 . 1 . 1 17 17 HIS HB3 H 1 3.079 0.000 . 1 . . . . . 50 HIS HB3 . 50772 1 171 . 1 . 1 17 17 HIS HD2 H 1 6.867 0.017 . 1 . . . . . 50 HIS HD2 . 50772 1 172 . 1 . 1 17 17 HIS CA C 13 56.384 0.010 . 1 . . . . . 50 HIS CA . 50772 1 173 . 1 . 1 17 17 HIS CB C 13 30.246 0.000 . 1 . . . . . 50 HIS CB . 50772 1 174 . 1 . 1 17 17 HIS CD2 C 13 118.550 0.021 . 1 . . . . . 50 HIS CD2 . 50772 1 175 . 1 . 1 17 17 HIS N N 15 124.482 0.114 . 1 . . . . . 50 HIS N . 50772 1 176 . 1 . 1 19 19 LYS HA H 1 4.253 0.005 . 1 . . . . . 52 LYS HA . 50772 1 177 . 1 . 1 19 19 LYS HB2 H 1 1.938 0.000 . 2 . . . . . 52 LYS HB2 . 50772 1 178 . 1 . 1 19 19 LYS HB3 H 1 1.736 0.000 . 2 . . . . . 52 LYS HB3 . 50772 1 179 . 1 . 1 19 19 LYS HG2 H 1 1.409 0.000 . 1 . . . . . 52 LYS HG2 . 50772 1 180 . 1 . 1 19 19 LYS HG3 H 1 1.409 0.000 . 1 . . . . . 52 LYS HG3 . 50772 1 181 . 1 . 1 19 19 LYS HD2 H 1 1.649 0.000 . 1 . . . . . 52 LYS HD2 . 50772 1 182 . 1 . 1 19 19 LYS HD3 H 1 1.649 0.000 . 1 . . . . . 52 LYS HD3 . 50772 1 183 . 1 . 1 19 19 LYS HE2 H 1 2.996 0.000 . 1 . . . . . 52 LYS HE2 . 50772 1 184 . 1 . 1 19 19 LYS HE3 H 1 2.996 0.000 . 1 . . . . . 52 LYS HE3 . 50772 1 185 . 1 . 1 19 19 LYS C C 13 176.933 0.000 . 1 . . . . . 52 LYS C . 50772 1 186 . 1 . 1 19 19 LYS CA C 13 56.537 0.000 . 1 . . . . . 52 LYS CA . 50772 1 187 . 1 . 1 19 19 LYS CB C 13 33.512 0.020 . 1 . . . . . 52 LYS CB . 50772 1 188 . 1 . 1 19 19 LYS CG C 13 24.739 0.000 . 1 . . . . . 52 LYS CG . 50772 1 189 . 1 . 1 19 19 LYS CD C 13 29.119 0.000 . 1 . . . . . 52 LYS CD . 50772 1 190 . 1 . 1 19 19 LYS CE C 13 42.165 0.000 . 1 . . . . . 52 LYS CE . 50772 1 191 . 1 . 1 20 20 VAL H H 1 7.552 0.028 . 1 . . . . . 53 VAL H . 50772 1 192 . 1 . 1 20 20 VAL HA H 1 4.263 0.016 . 1 . . . . . 53 VAL HA . 50772 1 193 . 1 . 1 20 20 VAL HB H 1 2.083 0.000 . 1 . . . . . 53 VAL HB . 50772 1 194 . 1 . 1 20 20 VAL HG11 H 1 1.113 0.000 . 2 . . . . . 53 VAL HG11 . 50772 1 195 . 1 . 1 20 20 VAL HG12 H 1 1.113 0.000 . 2 . . . . . 53 VAL HG12 . 50772 1 196 . 1 . 1 20 20 VAL HG13 H 1 1.113 0.000 . 2 . . . . . 53 VAL HG13 . 50772 1 197 . 1 . 1 20 20 VAL HG21 H 1 1.022 0.000 . 2 . . . . . 53 VAL HG21 . 50772 1 198 . 1 . 1 20 20 VAL HG22 H 1 1.022 0.000 . 2 . . . . . 53 VAL HG22 . 50772 1 199 . 1 . 1 20 20 VAL HG23 H 1 1.022 0.000 . 2 . . . . . 53 VAL HG23 . 50772 1 200 . 1 . 1 20 20 VAL CA C 13 60.544 0.001 . 1 . . . . . 53 VAL CA . 50772 1 201 . 1 . 1 20 20 VAL CB C 13 32.198 0.003 . 1 . . . . . 53 VAL CB . 50772 1 202 . 1 . 1 20 20 VAL CG1 C 13 21.350 0.000 . 1 . . . . . 53 VAL CG1 . 50772 1 203 . 1 . 1 20 20 VAL CG2 C 13 21.350 0.000 . 1 . . . . . 53 VAL CG2 . 50772 1 204 . 1 . 1 20 20 VAL N N 15 123.180 0.024 . 1 . . . . . 53 VAL N . 50772 1 205 . 1 . 1 21 21 PRO C C 13 174.751 0.000 . 1 . . . . . 54 PRO C . 50772 1 206 . 1 . 1 21 21 PRO CA C 13 61.678 0.000 . 1 . . . . . 54 PRO CA . 50772 1 207 . 1 . 1 21 21 PRO CB C 13 32.779 0.000 . 1 . . . . . 54 PRO CB . 50772 1 208 . 1 . 1 22 22 LEU H H 1 5.540 0.001 . 1 . . . . . 55 LEU H . 50772 1 209 . 1 . 1 22 22 LEU HA H 1 2.775 0.000 . 1 . . . . . 55 LEU HA . 50772 1 210 . 1 . 1 22 22 LEU HB2 H 1 -0.267 0.000 . 2 . . . . . 55 LEU HB2 . 50772 1 211 . 1 . 1 22 22 LEU HB3 H 1 -0.794 0.000 . 2 . . . . . 55 LEU HB3 . 50772 1 212 . 1 . 1 22 22 LEU HG H 1 0.006 0.000 . 1 . . . . . 55 LEU HG . 50772 1 213 . 1 . 1 22 22 LEU HD11 H 1 -1.176 0.000 . 2 . . . . . 55 LEU HD11 . 50772 1 214 . 1 . 1 22 22 LEU HD12 H 1 -1.176 0.000 . 2 . . . . . 55 LEU HD12 . 50772 1 215 . 1 . 1 22 22 LEU HD13 H 1 -1.176 0.000 . 2 . . . . . 55 LEU HD13 . 50772 1 216 . 1 . 1 22 22 LEU HD21 H 1 -0.425 0.000 . 2 . . . . . 55 LEU HD21 . 50772 1 217 . 1 . 1 22 22 LEU HD22 H 1 -0.425 0.000 . 2 . . . . . 55 LEU HD22 . 50772 1 218 . 1 . 1 22 22 LEU HD23 H 1 -0.425 0.000 . 2 . . . . . 55 LEU HD23 . 50772 1 219 . 1 . 1 22 22 LEU C C 13 173.639 0.000 . 1 . . . . . 55 LEU C . 50772 1 220 . 1 . 1 22 22 LEU CA C 13 54.893 0.015 . 1 . . . . . 55 LEU CA . 50772 1 221 . 1 . 1 22 22 LEU CB C 13 39.911 0.119 . 1 . . . . . 55 LEU CB . 50772 1 222 . 1 . 1 22 22 LEU CG C 13 25.027 0.000 . 1 . . . . . 55 LEU CG . 50772 1 223 . 1 . 1 22 22 LEU CD1 C 13 20.283 0.000 . 2 . . . . . 55 LEU CD1 . 50772 1 224 . 1 . 1 22 22 LEU CD2 C 13 24.961 0.000 . 2 . . . . . 55 LEU CD2 . 50772 1 225 . 1 . 1 22 22 LEU N N 15 118.706 0.060 . 1 . . . . . 55 LEU N . 50772 1 226 . 1 . 1 23 23 THR H H 1 5.850 0.003 . 1 . . . . . 56 THR H . 50772 1 227 . 1 . 1 23 23 THR HA H 1 4.113 0.000 . 1 . . . . . 56 THR HA . 50772 1 228 . 1 . 1 23 23 THR HB H 1 3.903 0.000 . 1 . . . . . 56 THR HB . 50772 1 229 . 1 . 1 23 23 THR C C 13 171.235 0.000 . 1 . . . . . 56 THR C . 50772 1 230 . 1 . 1 23 23 THR CA C 13 59.678 0.052 . 1 . . . . . 56 THR CA . 50772 1 231 . 1 . 1 23 23 THR CB C 13 71.867 0.033 . 1 . . . . . 56 THR CB . 50772 1 232 . 1 . 1 23 23 THR N N 15 113.417 0.054 . 1 . . . . . 56 THR N . 50772 1 233 . 1 . 1 24 24 PHE H H 1 7.852 0.001 . 1 . . . . . 57 PHE H . 50772 1 234 . 1 . 1 24 24 PHE HA H 1 4.791 0.000 . 1 . . . . . 57 PHE HA . 50772 1 235 . 1 . 1 24 24 PHE HB2 H 1 2.743 0.000 . 2 . . . . . 57 PHE HB2 . 50772 1 236 . 1 . 1 24 24 PHE HB3 H 1 2.257 0.003 . 2 . . . . . 57 PHE HB3 . 50772 1 237 . 1 . 1 24 24 PHE HD1 H 1 6.591 0.004 . 1 . . . . . 57 PHE HD1 . 50772 1 238 . 1 . 1 24 24 PHE HD2 H 1 6.591 0.004 . 1 . . . . . 57 PHE HD2 . 50772 1 239 . 1 . 1 24 24 PHE CA C 13 56.387 0.020 . 1 . . . . . 57 PHE CA . 50772 1 240 . 1 . 1 24 24 PHE CB C 13 43.712 0.020 . 1 . . . . . 57 PHE CB . 50772 1 241 . 1 . 1 24 24 PHE CD1 C 13 131.459 0.040 . 1 . . . . . 57 PHE CD1 . 50772 1 242 . 1 . 1 24 24 PHE CD2 C 13 131.459 0.040 . 1 . . . . . 57 PHE CD2 . 50772 1 243 . 1 . 1 24 24 PHE N N 15 116.562 0.011 . 1 . . . . . 57 PHE N . 50772 1 244 . 1 . 1 26 26 PRO HA H 1 4.362 0.000 . 1 . . . . . 59 PRO HA . 50772 1 245 . 1 . 1 26 26 PRO HB2 H 1 2.436 0.000 . 2 . . . . . 59 PRO HB2 . 50772 1 246 . 1 . 1 26 26 PRO HB3 H 1 2.012 0.000 . 2 . . . . . 59 PRO HB3 . 50772 1 247 . 1 . 1 26 26 PRO HG2 H 1 2.011 0.000 . 2 . . . . . 59 PRO HG2 . 50772 1 248 . 1 . 1 26 26 PRO HG3 H 1 2.132 0.000 . 2 . . . . . 59 PRO HG3 . 50772 1 249 . 1 . 1 26 26 PRO C C 13 177.820 0.000 . 1 . . . . . 59 PRO C . 50772 1 250 . 1 . 1 26 26 PRO CA C 13 63.910 0.002 . 1 . . . . . 59 PRO CA . 50772 1 251 . 1 . 1 26 26 PRO CB C 13 31.572 0.116 . 1 . . . . . 59 PRO CB . 50772 1 252 . 1 . 1 26 26 PRO CG C 13 27.832 0.029 . 1 . . . . . 59 PRO CG . 50772 1 253 . 1 . 1 27 27 GLY H H 1 8.476 0.004 . 1 . . . . . 60 GLY H . 50772 1 254 . 1 . 1 27 27 GLY HA2 H 1 3.919 0.000 . 2 . . . . . 60 GLY HA2 . 50772 1 255 . 1 . 1 27 27 GLY HA3 H 1 4.380 0.000 . 2 . . . . . 60 GLY HA3 . 50772 1 256 . 1 . 1 27 27 GLY C C 13 174.539 0.000 . 1 . . . . . 60 GLY C . 50772 1 257 . 1 . 1 27 27 GLY CA C 13 45.463 0.069 . 1 . . . . . 60 GLY CA . 50772 1 258 . 1 . 1 27 27 GLY N N 15 113.984 0.069 . 1 . . . . . 60 GLY N . 50772 1 259 . 1 . 1 28 28 GLN H H 1 7.821 0.002 . 1 . . . . . 61 GLN H . 50772 1 260 . 1 . 1 28 28 GLN HA H 1 4.688 0.000 . 1 . . . . . 61 GLN HA . 50772 1 261 . 1 . 1 28 28 GLN HB2 H 1 1.929 0.000 . 2 . . . . . 61 GLN HB2 . 50772 1 262 . 1 . 1 28 28 GLN HB3 H 1 2.189 0.000 . 2 . . . . . 61 GLN HB3 . 50772 1 263 . 1 . 1 28 28 GLN HG2 H 1 2.240 0.000 . 1 . . . . . 61 GLN HG2 . 50772 1 264 . 1 . 1 28 28 GLN HG3 H 1 2.240 0.000 . 1 . . . . . 61 GLN HG3 . 50772 1 265 . 1 . 1 28 28 GLN HE21 H 1 7.245 0.000 . 1 . . . . . 61 GLN HE21 . 50772 1 266 . 1 . 1 28 28 GLN HE22 H 1 6.306 0.000 . 1 . . . . . 61 GLN HE22 . 50772 1 267 . 1 . 1 28 28 GLN C C 13 175.904 0.000 . 1 . . . . . 61 GLN C . 50772 1 268 . 1 . 1 28 28 GLN CA C 13 54.269 0.071 . 1 . . . . . 61 GLN CA . 50772 1 269 . 1 . 1 28 28 GLN CB C 13 31.596 0.008 . 1 . . . . . 61 GLN CB . 50772 1 270 . 1 . 1 28 28 GLN CG C 13 33.370 0.000 . 1 . . . . . 61 GLN CG . 50772 1 271 . 1 . 1 28 28 GLN N N 15 118.965 0.020 . 1 . . . . . 61 GLN N . 50772 1 272 . 1 . 1 28 28 GLN NE2 N 15 108.333 0.005 . 1 . . . . . 61 GLN NE2 . 50772 1 273 . 1 . 1 29 29 GLY H H 1 8.472 0.004 . 1 . . . . . 62 GLY H . 50772 1 274 . 1 . 1 29 29 GLY HA2 H 1 3.824 0.006 . 1 . . . . . 62 GLY HA2 . 50772 1 275 . 1 . 1 29 29 GLY HA3 H 1 3.824 0.006 . 1 . . . . . 62 GLY HA3 . 50772 1 276 . 1 . 1 29 29 GLY C C 13 173.227 0.000 . 1 . . . . . 62 GLY C . 50772 1 277 . 1 . 1 29 29 GLY CA C 13 43.241 0.055 . 1 . . . . . 62 GLY CA . 50772 1 278 . 1 . 1 29 29 GLY N N 15 103.146 0.044 . 1 . . . . . 62 GLY N . 50772 1 279 . 1 . 1 30 30 VAL H H 1 8.273 0.001 . 1 . . . . . 63 VAL H . 50772 1 280 . 1 . 1 30 30 VAL HA H 1 3.734 0.022 . 1 . . . . . 63 VAL HA . 50772 1 281 . 1 . 1 30 30 VAL HB H 1 1.887 0.000 . 1 . . . . . 63 VAL HB . 50772 1 282 . 1 . 1 30 30 VAL HG11 H 1 0.596 0.000 . 2 . . . . . 63 VAL HG11 . 50772 1 283 . 1 . 1 30 30 VAL HG12 H 1 0.596 0.000 . 2 . . . . . 63 VAL HG12 . 50772 1 284 . 1 . 1 30 30 VAL HG13 H 1 0.596 0.000 . 2 . . . . . 63 VAL HG13 . 50772 1 285 . 1 . 1 30 30 VAL HG21 H 1 0.486 0.000 . 2 . . . . . 63 VAL HG21 . 50772 1 286 . 1 . 1 30 30 VAL HG22 H 1 0.486 0.000 . 2 . . . . . 63 VAL HG22 . 50772 1 287 . 1 . 1 30 30 VAL HG23 H 1 0.486 0.000 . 2 . . . . . 63 VAL HG23 . 50772 1 288 . 1 . 1 30 30 VAL CA C 13 59.275 0.000 . 1 . . . . . 63 VAL CA . 50772 1 289 . 1 . 1 30 30 VAL CB C 13 30.960 0.000 . 1 . . . . . 63 VAL CB . 50772 1 290 . 1 . 1 30 30 VAL CG1 C 13 20.516 0.000 . 2 . . . . . 63 VAL CG1 . 50772 1 291 . 1 . 1 30 30 VAL CG2 C 13 20.932 0.000 . 2 . . . . . 63 VAL CG2 . 50772 1 292 . 1 . 1 30 30 VAL N N 15 123.325 0.023 . 1 . . . . . 63 VAL N . 50772 1 293 . 1 . 1 31 31 PRO HA H 1 3.704 0.000 . 1 . . . . . 64 PRO HA . 50772 1 294 . 1 . 1 31 31 PRO HB2 H 1 0.126 0.000 . 2 . . . . . 64 PRO HB2 . 50772 1 295 . 1 . 1 31 31 PRO HB3 H 1 1.284 0.000 . 2 . . . . . 64 PRO HB3 . 50772 1 296 . 1 . 1 31 31 PRO HG2 H 1 0.863 0.000 . 2 . . . . . 64 PRO HG2 . 50772 1 297 . 1 . 1 31 31 PRO HG3 H 1 0.228 0.000 . 2 . . . . . 64 PRO HG3 . 50772 1 298 . 1 . 1 31 31 PRO HD2 H 1 1.080 0.000 . 2 . . . . . 64 PRO HD2 . 50772 1 299 . 1 . 1 31 31 PRO HD3 H 1 2.837 0.000 . 2 . . . . . 64 PRO HD3 . 50772 1 300 . 1 . 1 31 31 PRO C C 13 175.119 0.003 . 1 . . . . . 64 PRO C . 50772 1 301 . 1 . 1 31 31 PRO CA C 13 62.539 0.054 . 1 . . . . . 64 PRO CA . 50772 1 302 . 1 . 1 31 31 PRO CB C 13 31.692 0.122 . 1 . . . . . 64 PRO CB . 50772 1 303 . 1 . 1 31 31 PRO CG C 13 28.399 0.030 . 1 . . . . . 64 PRO CG . 50772 1 304 . 1 . 1 31 31 PRO CD C 13 49.264 0.043 . 1 . . . . . 64 PRO CD . 50772 1 305 . 1 . 1 32 32 LEU H H 1 8.018 0.013 . 1 . . . . . 65 LEU H . 50772 1 306 . 1 . 1 32 32 LEU HA H 1 3.964 0.000 . 1 . . . . . 65 LEU HA . 50772 1 307 . 1 . 1 32 32 LEU HB2 H 1 1.108 0.000 . 2 . . . . . 65 LEU HB2 . 50772 1 308 . 1 . 1 32 32 LEU HB3 H 1 1.410 0.000 . 2 . . . . . 65 LEU HB3 . 50772 1 309 . 1 . 1 32 32 LEU HG H 1 1.432 0.000 . 1 . . . . . 65 LEU HG . 50772 1 310 . 1 . 1 32 32 LEU HD11 H 1 0.573 0.000 . 2 . . . . . 65 LEU HD11 . 50772 1 311 . 1 . 1 32 32 LEU HD12 H 1 0.573 0.000 . 2 . . . . . 65 LEU HD12 . 50772 1 312 . 1 . 1 32 32 LEU HD13 H 1 0.573 0.000 . 2 . . . . . 65 LEU HD13 . 50772 1 313 . 1 . 1 32 32 LEU HD21 H 1 0.778 0.000 . 2 . . . . . 65 LEU HD21 . 50772 1 314 . 1 . 1 32 32 LEU HD22 H 1 0.778 0.000 . 2 . . . . . 65 LEU HD22 . 50772 1 315 . 1 . 1 32 32 LEU HD23 H 1 0.778 0.000 . 2 . . . . . 65 LEU HD23 . 50772 1 316 . 1 . 1 32 32 LEU C C 13 178.416 0.000 . 1 . . . . . 65 LEU C . 50772 1 317 . 1 . 1 32 32 LEU CA C 13 55.067 0.029 . 1 . . . . . 65 LEU CA . 50772 1 318 . 1 . 1 32 32 LEU CB C 13 42.892 0.111 . 1 . . . . . 65 LEU CB . 50772 1 319 . 1 . 1 32 32 LEU CG C 13 26.471 0.000 . 1 . . . . . 65 LEU CG . 50772 1 320 . 1 . 1 32 32 LEU CD1 C 13 25.770 0.000 . 2 . . . . . 65 LEU CD1 . 50772 1 321 . 1 . 1 32 32 LEU CD2 C 13 23.109 0.000 . 2 . . . . . 65 LEU CD2 . 50772 1 322 . 1 . 1 32 32 LEU N N 15 120.411 0.056 . 1 . . . . . 65 LEU N . 50772 1 323 . 1 . 1 33 33 ASN H H 1 8.624 0.002 . 1 . . . . . 66 ASN H . 50772 1 324 . 1 . 1 33 33 ASN HA H 1 4.412 0.000 . 1 . . . . . 66 ASN HA . 50772 1 325 . 1 . 1 33 33 ASN HB2 H 1 2.692 0.003 . 2 . . . . . 66 ASN HB2 . 50772 1 326 . 1 . 1 33 33 ASN HB3 H 1 3.050 0.011 . 2 . . . . . 66 ASN HB3 . 50772 1 327 . 1 . 1 33 33 ASN C C 13 175.785 0.002 . 1 . . . . . 66 ASN C . 50772 1 328 . 1 . 1 33 33 ASN CA C 13 53.315 0.010 . 1 . . . . . 66 ASN CA . 50772 1 329 . 1 . 1 33 33 ASN CB C 13 39.803 0.014 . 1 . . . . . 66 ASN CB . 50772 1 330 . 1 . 1 33 33 ASN N N 15 118.968 0.023 . 1 . . . . . 66 ASN N . 50772 1 331 . 1 . 1 34 34 ALA H H 1 9.000 0.004 . 1 . . . . . 67 ALA H . 50772 1 332 . 1 . 1 34 34 ALA HA H 1 4.127 0.000 . 1 . . . . . 67 ALA HA . 50772 1 333 . 1 . 1 34 34 ALA HB1 H 1 1.377 0.000 . 1 . . . . . 67 ALA HB1 . 50772 1 334 . 1 . 1 34 34 ALA HB2 H 1 1.377 0.000 . 1 . . . . . 67 ALA HB2 . 50772 1 335 . 1 . 1 34 34 ALA HB3 H 1 1.377 0.000 . 1 . . . . . 67 ALA HB3 . 50772 1 336 . 1 . 1 34 34 ALA C C 13 177.776 0.000 . 1 . . . . . 67 ALA C . 50772 1 337 . 1 . 1 34 34 ALA CA C 13 54.216 0.039 . 1 . . . . . 67 ALA CA . 50772 1 338 . 1 . 1 34 34 ALA CB C 13 18.348 0.014 . 1 . . . . . 67 ALA CB . 50772 1 339 . 1 . 1 34 34 ALA N N 15 129.920 0.066 . 1 . . . . . 67 ALA N . 50772 1 340 . 1 . 1 35 35 ASN H H 1 7.444 0.000 . 1 . . . . . 68 ASN H . 50772 1 341 . 1 . 1 35 35 ASN HA H 1 4.769 0.000 . 1 . . . . . 68 ASN HA . 50772 1 342 . 1 . 1 35 35 ASN HB2 H 1 2.771 0.000 . 2 . . . . . 68 ASN HB2 . 50772 1 343 . 1 . 1 35 35 ASN HB3 H 1 2.402 0.000 . 2 . . . . . 68 ASN HB3 . 50772 1 344 . 1 . 1 35 35 ASN HD21 H 1 6.852 0.000 . 1 . . . . . 68 ASN HD21 . 50772 1 345 . 1 . 1 35 35 ASN HD22 H 1 7.483 0.000 . 1 . . . . . 68 ASN HD22 . 50772 1 346 . 1 . 1 35 35 ASN C C 13 174.868 0.000 . 1 . . . . . 68 ASN C . 50772 1 347 . 1 . 1 35 35 ASN CA C 13 52.983 0.063 . 1 . . . . . 68 ASN CA . 50772 1 348 . 1 . 1 35 35 ASN CB C 13 38.921 0.111 . 1 . . . . . 68 ASN CB . 50772 1 349 . 1 . 1 35 35 ASN N N 15 113.357 0.011 . 1 . . . . . 68 ASN N . 50772 1 350 . 1 . 1 35 35 ASN ND2 N 15 114.188 0.006 . 1 . . . . . 68 ASN ND2 . 50772 1 351 . 1 . 1 36 36 SER H H 1 7.439 0.004 . 1 . . . . . 69 SER H . 50772 1 352 . 1 . 1 36 36 SER HA H 1 4.615 0.000 . 1 . . . . . 69 SER HA . 50772 1 353 . 1 . 1 36 36 SER HB2 H 1 3.492 0.000 . 2 . . . . . 69 SER HB2 . 50772 1 354 . 1 . 1 36 36 SER HB3 H 1 4.034 0.000 . 2 . . . . . 69 SER HB3 . 50772 1 355 . 1 . 1 36 36 SER C C 13 174.408 0.006 . 1 . . . . . 69 SER C . 50772 1 356 . 1 . 1 36 36 SER CA C 13 55.290 0.011 . 1 . . . . . 69 SER CA . 50772 1 357 . 1 . 1 36 36 SER CB C 13 64.248 0.040 . 1 . . . . . 69 SER CB . 50772 1 358 . 1 . 1 36 36 SER N N 15 113.659 0.028 . 1 . . . . . 69 SER N . 50772 1 359 . 1 . 1 37 37 THR H H 1 8.558 0.008 . 1 . . . . . 70 THR H . 50772 1 360 . 1 . 1 37 37 THR HA H 1 4.883 0.000 . 1 . . . . . 70 THR HA . 50772 1 361 . 1 . 1 37 37 THR HB H 1 4.402 0.000 . 1 . . . . . 70 THR HB . 50772 1 362 . 1 . 1 37 37 THR CA C 13 59.167 0.004 . 1 . . . . . 70 THR CA . 50772 1 363 . 1 . 1 37 37 THR CB C 13 70.299 0.002 . 1 . . . . . 70 THR CB . 50772 1 364 . 1 . 1 37 37 THR N N 15 113.207 0.042 . 1 . . . . . 70 THR N . 50772 1 365 . 1 . 1 38 38 PRO HA H 1 4.274 0.000 . 1 . . . . . 71 PRO HA . 50772 1 366 . 1 . 1 38 38 PRO HB2 H 1 1.951 0.000 . 2 . . . . . 71 PRO HB2 . 50772 1 367 . 1 . 1 38 38 PRO HB3 H 1 2.525 0.000 . 2 . . . . . 71 PRO HB3 . 50772 1 368 . 1 . 1 38 38 PRO C C 13 178.015 0.000 . 1 . . . . . 71 PRO C . 50772 1 369 . 1 . 1 38 38 PRO CA C 13 66.615 0.012 . 1 . . . . . 71 PRO CA . 50772 1 370 . 1 . 1 38 38 PRO CB C 13 31.735 0.045 . 1 . . . . . 71 PRO CB . 50772 1 371 . 1 . 1 39 39 ALA H H 1 7.712 0.002 . 1 . . . . . 72 ALA H . 50772 1 372 . 1 . 1 39 39 ALA HA H 1 4.356 0.000 . 1 . . . . . 72 ALA HA . 50772 1 373 . 1 . 1 39 39 ALA HB1 H 1 1.381 0.000 . 1 . . . . . 72 ALA HB1 . 50772 1 374 . 1 . 1 39 39 ALA HB2 H 1 1.381 0.000 . 1 . . . . . 72 ALA HB2 . 50772 1 375 . 1 . 1 39 39 ALA HB3 H 1 1.381 0.000 . 1 . . . . . 72 ALA HB3 . 50772 1 376 . 1 . 1 39 39 ALA C C 13 179.049 0.000 . 1 . . . . . 72 ALA C . 50772 1 377 . 1 . 1 39 39 ALA CA C 13 54.599 0.020 . 1 . . . . . 72 ALA CA . 50772 1 378 . 1 . 1 39 39 ALA CB C 13 19.104 0.017 . 1 . . . . . 72 ALA CB . 50772 1 379 . 1 . 1 39 39 ALA N N 15 113.982 0.031 . 1 . . . . . 72 ALA N . 50772 1 380 . 1 . 1 40 40 GLN H H 1 7.780 0.002 . 1 . . . . . 73 GLN H . 50772 1 381 . 1 . 1 40 40 GLN HA H 1 4.392 0.000 . 1 . . . . . 73 GLN HA . 50772 1 382 . 1 . 1 40 40 GLN C C 13 175.713 0.000 . 1 . . . . . 73 GLN C . 50772 1 383 . 1 . 1 40 40 GLN CA C 13 55.247 0.009 . 1 . . . . . 73 GLN CA . 50772 1 384 . 1 . 1 40 40 GLN CB C 13 31.231 0.020 . 1 . . . . . 73 GLN CB . 50772 1 385 . 1 . 1 40 40 GLN N N 15 113.341 0.011 . 1 . . . . . 73 GLN N . 50772 1 386 . 1 . 1 41 41 ASN H H 1 7.653 0.003 . 1 . . . . . 74 ASN H . 50772 1 387 . 1 . 1 41 41 ASN HA H 1 5.432 0.000 . 1 . . . . . 74 ASN HA . 50772 1 388 . 1 . 1 41 41 ASN HB2 H 1 3.065 0.009 . 2 . . . . . 74 ASN HB2 . 50772 1 389 . 1 . 1 41 41 ASN HB3 H 1 2.548 0.000 . 2 . . . . . 74 ASN HB3 . 50772 1 390 . 1 . 1 41 41 ASN HD21 H 1 7.238 0.002 . 1 . . . . . 74 ASN HD21 . 50772 1 391 . 1 . 1 41 41 ASN HD22 H 1 7.436 0.007 . 1 . . . . . 74 ASN HD22 . 50772 1 392 . 1 . 1 41 41 ASN C C 13 172.431 0.000 . 1 . . . . . 74 ASN C . 50772 1 393 . 1 . 1 41 41 ASN CA C 13 52.106 0.091 . 1 . . . . . 74 ASN CA . 50772 1 394 . 1 . 1 41 41 ASN CB C 13 36.713 0.073 . 1 . . . . . 74 ASN CB . 50772 1 395 . 1 . 1 41 41 ASN N N 15 121.325 0.025 . 1 . . . . . 74 ASN N . 50772 1 396 . 1 . 1 41 41 ASN ND2 N 15 115.176 0.007 . 1 . . . . . 74 ASN ND2 . 50772 1 397 . 1 . 1 42 42 ALA H H 1 8.183 0.007 . 1 . . . . . 75 ALA H . 50772 1 398 . 1 . 1 42 42 ALA HA H 1 5.241 0.000 . 1 . . . . . 75 ALA HA . 50772 1 399 . 1 . 1 42 42 ALA HB1 H 1 1.648 0.020 . 1 . . . . . 75 ALA HB1 . 50772 1 400 . 1 . 1 42 42 ALA HB2 H 1 1.648 0.020 . 1 . . . . . 75 ALA HB2 . 50772 1 401 . 1 . 1 42 42 ALA HB3 H 1 1.648 0.020 . 1 . . . . . 75 ALA HB3 . 50772 1 402 . 1 . 1 42 42 ALA C C 13 176.611 0.000 . 1 . . . . . 75 ALA C . 50772 1 403 . 1 . 1 42 42 ALA CA C 13 51.787 0.020 . 1 . . . . . 75 ALA CA . 50772 1 404 . 1 . 1 42 42 ALA CB C 13 22.918 0.067 . 1 . . . . . 75 ALA CB . 50772 1 405 . 1 . 1 42 42 ALA N N 15 123.448 0.029 . 1 . . . . . 75 ALA N . 50772 1 406 . 1 . 1 43 43 GLY H H 1 9.458 0.005 . 1 . . . . . 76 GLY H . 50772 1 407 . 1 . 1 43 43 GLY HA2 H 1 4.555 0.012 . 1 . . . . . 76 GLY HA2 . 50772 1 408 . 1 . 1 43 43 GLY HA3 H 1 4.555 0.012 . 1 . . . . . 76 GLY HA3 . 50772 1 409 . 1 . 1 43 43 GLY C C 13 169.503 0.000 . 1 . . . . . 76 GLY C . 50772 1 410 . 1 . 1 43 43 GLY CA C 13 46.790 0.053 . 1 . . . . . 76 GLY CA . 50772 1 411 . 1 . 1 43 43 GLY N N 15 107.912 0.016 . 1 . . . . . 76 GLY N . 50772 1 412 . 1 . 1 44 44 TYR H H 1 8.572 0.010 . 1 . . . . . 77 TYR H . 50772 1 413 . 1 . 1 44 44 TYR HA H 1 5.699 0.010 . 1 . . . . . 77 TYR HA . 50772 1 414 . 1 . 1 44 44 TYR HB2 H 1 1.219 0.000 . 2 . . . . . 77 TYR HB2 . 50772 1 415 . 1 . 1 44 44 TYR HB3 H 1 1.949 0.000 . 2 . . . . . 77 TYR HB3 . 50772 1 416 . 1 . 1 44 44 TYR HD1 H 1 7.151 0.006 . 1 . . . . . 77 TYR HD1 . 50772 1 417 . 1 . 1 44 44 TYR HD2 H 1 7.151 0.006 . 1 . . . . . 77 TYR HD2 . 50772 1 418 . 1 . 1 44 44 TYR C C 13 172.490 0.000 . 1 . . . . . 77 TYR C . 50772 1 419 . 1 . 1 44 44 TYR CA C 13 54.055 0.075 . 1 . . . . . 77 TYR CA . 50772 1 420 . 1 . 1 44 44 TYR CB C 13 40.057 0.031 . 1 . . . . . 77 TYR CB . 50772 1 421 . 1 . 1 44 44 TYR CD1 C 13 132.639 0.000 . 1 . . . . . 77 TYR CD1 . 50772 1 422 . 1 . 1 44 44 TYR CD2 C 13 132.639 0.000 . 1 . . . . . 77 TYR CD2 . 50772 1 423 . 1 . 1 44 44 TYR N N 15 117.352 0.027 . 1 . . . . . 77 TYR N . 50772 1 424 . 1 . 1 45 45 TRP H H 1 9.437 0.007 . 1 . . . . . 78 TRP H . 50772 1 425 . 1 . 1 45 45 TRP HA H 1 5.285 0.000 . 1 . . . . . 78 TRP HA . 50772 1 426 . 1 . 1 45 45 TRP HB2 H 1 3.191 0.000 . 2 . . . . . 78 TRP HB2 . 50772 1 427 . 1 . 1 45 45 TRP HB3 H 1 3.373 0.000 . 2 . . . . . 78 TRP HB3 . 50772 1 428 . 1 . 1 45 45 TRP HD1 H 1 7.110 0.014 . 1 . . . . . 78 TRP HD1 . 50772 1 429 . 1 . 1 45 45 TRP HE1 H 1 10.677 0.005 . 1 . . . . . 78 TRP HE1 . 50772 1 430 . 1 . 1 45 45 TRP HE3 H 1 7.469 0.001 . 1 . . . . . 78 TRP HE3 . 50772 1 431 . 1 . 1 45 45 TRP HZ2 H 1 7.223 0.007 . 1 . . . . . 78 TRP HZ2 . 50772 1 432 . 1 . 1 45 45 TRP HH2 H 1 7.526 0.008 . 1 . . . . . 78 TRP HH2 . 50772 1 433 . 1 . 1 45 45 TRP C C 13 176.436 0.000 . 1 . . . . . 78 TRP C . 50772 1 434 . 1 . 1 45 45 TRP CA C 13 55.659 0.028 . 1 . . . . . 78 TRP CA . 50772 1 435 . 1 . 1 45 45 TRP CB C 13 32.474 0.117 . 1 . . . . . 78 TRP CB . 50772 1 436 . 1 . 1 45 45 TRP CD1 C 13 123.822 0.000 . 1 . . . . . 78 TRP CD1 . 50772 1 437 . 1 . 1 45 45 TRP CE3 C 13 121.866 0.081 . 1 . . . . . 78 TRP CE3 . 50772 1 438 . 1 . 1 45 45 TRP CZ2 C 13 116.126 0.050 . 1 . . . . . 78 TRP CZ2 . 50772 1 439 . 1 . 1 45 45 TRP CH2 C 13 125.974 0.000 . 1 . . . . . 78 TRP CH2 . 50772 1 440 . 1 . 1 45 45 TRP N N 15 119.728 0.056 . 1 . . . . . 78 TRP N . 50772 1 441 . 1 . 1 45 45 TRP NE1 N 15 130.443 0.025 . 1 . . . . . 78 TRP NE1 . 50772 1 442 . 1 . 1 46 46 ARG H H 1 10.162 0.003 . 1 . . . . . 79 ARG H . 50772 1 443 . 1 . 1 46 46 ARG HA H 1 5.819 0.000 . 1 . . . . . 79 ARG HA . 50772 1 444 . 1 . 1 46 46 ARG HB2 H 1 1.922 0.000 . 2 . . . . . 79 ARG HB2 . 50772 1 445 . 1 . 1 46 46 ARG HB3 H 1 2.222 0.000 . 2 . . . . . 79 ARG HB3 . 50772 1 446 . 1 . 1 46 46 ARG HG2 H 1 1.685 0.000 . 1 . . . . . 79 ARG HG2 . 50772 1 447 . 1 . 1 46 46 ARG HG3 H 1 1.685 0.000 . 1 . . . . . 79 ARG HG3 . 50772 1 448 . 1 . 1 46 46 ARG HD2 H 1 3.282 0.000 . 2 . . . . . 79 ARG HD2 . 50772 1 449 . 1 . 1 46 46 ARG HD3 H 1 3.010 0.000 . 2 . . . . . 79 ARG HD3 . 50772 1 450 . 1 . 1 46 46 ARG C C 13 175.985 0.000 . 1 . . . . . 79 ARG C . 50772 1 451 . 1 . 1 46 46 ARG CA C 13 53.692 0.068 . 1 . . . . . 79 ARG CA . 50772 1 452 . 1 . 1 46 46 ARG CB C 13 34.473 0.082 . 1 . . . . . 79 ARG CB . 50772 1 453 . 1 . 1 46 46 ARG CG C 13 28.531 0.000 . 1 . . . . . 79 ARG CG . 50772 1 454 . 1 . 1 46 46 ARG CD C 13 44.296 0.017 . 1 . . . . . 79 ARG CD . 50772 1 455 . 1 . 1 46 46 ARG N N 15 123.755 0.025 . 1 . . . . . 79 ARG N . 50772 1 456 . 1 . 1 47 47 ARG H H 1 8.670 0.002 . 1 . . . . . 80 ARG H . 50772 1 457 . 1 . 1 47 47 ARG HA H 1 3.338 0.000 . 1 . . . . . 80 ARG HA . 50772 1 458 . 1 . 1 47 47 ARG HB2 H 1 1.150 0.009 . 2 . . . . . 80 ARG HB2 . 50772 1 459 . 1 . 1 47 47 ARG HB3 H 1 -0.666 0.000 . 2 . . . . . 80 ARG HB3 . 50772 1 460 . 1 . 1 47 47 ARG HG2 H 1 0.846 0.000 . 2 . . . . . 80 ARG HG2 . 50772 1 461 . 1 . 1 47 47 ARG HG3 H 1 0.248 0.000 . 2 . . . . . 80 ARG HG3 . 50772 1 462 . 1 . 1 47 47 ARG HD2 H 1 2.902 0.000 . 2 . . . . . 80 ARG HD2 . 50772 1 463 . 1 . 1 47 47 ARG HD3 H 1 3.060 0.000 . 2 . . . . . 80 ARG HD3 . 50772 1 464 . 1 . 1 47 47 ARG C C 13 174.527 0.000 . 1 . . . . . 80 ARG C . 50772 1 465 . 1 . 1 47 47 ARG CA C 13 56.920 0.084 . 1 . . . . . 80 ARG CA . 50772 1 466 . 1 . 1 47 47 ARG CB C 13 29.557 0.068 . 1 . . . . . 80 ARG CB . 50772 1 467 . 1 . 1 47 47 ARG CG C 13 27.352 0.084 . 1 . . . . . 80 ARG CG . 50772 1 468 . 1 . 1 47 47 ARG CD C 13 43.477 0.018 . 1 . . . . . 80 ARG CD . 50772 1 469 . 1 . 1 47 47 ARG N N 15 132.684 0.030 . 1 . . . . . 80 ARG N . 50772 1 470 . 1 . 1 48 48 GLN H H 1 9.440 0.004 . 1 . . . . . 81 GLN H . 50772 1 471 . 1 . 1 48 48 GLN HA H 1 4.591 0.000 . 1 . . . . . 81 GLN HA . 50772 1 472 . 1 . 1 48 48 GLN HB2 H 1 2.468 0.006 . 2 . . . . . 81 GLN HB2 . 50772 1 473 . 1 . 1 48 48 GLN HB3 H 1 2.194 0.001 . 2 . . . . . 81 GLN HB3 . 50772 1 474 . 1 . 1 48 48 GLN HG2 H 1 2.455 0.013 . 1 . . . . . 81 GLN HG2 . 50772 1 475 . 1 . 1 48 48 GLN HG3 H 1 2.455 0.013 . 1 . . . . . 81 GLN HG3 . 50772 1 476 . 1 . 1 48 48 GLN HE21 H 1 6.936 0.010 . 1 . . . . . 81 GLN HE21 . 50772 1 477 . 1 . 1 48 48 GLN HE22 H 1 7.711 0.001 . 1 . . . . . 81 GLN HE22 . 50772 1 478 . 1 . 1 48 48 GLN C C 13 174.579 0.000 . 1 . . . . . 81 GLN C . 50772 1 479 . 1 . 1 48 48 GLN CA C 13 54.751 0.068 . 1 . . . . . 81 GLN CA . 50772 1 480 . 1 . 1 48 48 GLN CB C 13 30.769 0.106 . 1 . . . . . 81 GLN CB . 50772 1 481 . 1 . 1 48 48 GLN CG C 13 34.461 0.000 . 1 . . . . . 81 GLN CG . 50772 1 482 . 1 . 1 48 48 GLN N N 15 129.117 0.022 . 1 . . . . . 81 GLN N . 50772 1 483 . 1 . 1 48 48 GLN NE2 N 15 112.776 0.005 . 1 . . . . . 81 GLN NE2 . 50772 1 484 . 1 . 1 49 49 ASP H H 1 8.470 0.005 . 1 . . . . . 82 ASP H . 50772 1 485 . 1 . 1 49 49 ASP HA H 1 4.675 0.000 . 1 . . . . . 82 ASP HA . 50772 1 486 . 1 . 1 49 49 ASP HB2 H 1 2.586 0.000 . 2 . . . . . 82 ASP HB2 . 50772 1 487 . 1 . 1 49 49 ASP HB3 H 1 2.498 0.000 . 2 . . . . . 82 ASP HB3 . 50772 1 488 . 1 . 1 49 49 ASP C C 13 176.210 0.000 . 1 . . . . . 82 ASP C . 50772 1 489 . 1 . 1 49 49 ASP CA C 13 54.610 0.168 . 1 . . . . . 82 ASP CA . 50772 1 490 . 1 . 1 49 49 ASP CB C 13 41.654 0.034 . 1 . . . . . 82 ASP CB . 50772 1 491 . 1 . 1 49 49 ASP N N 15 126.593 0.039 . 1 . . . . . 82 ASP N . 50772 1 492 . 1 . 1 50 50 ARG H H 1 8.976 0.003 . 1 . . . . . 83 ARG H . 50772 1 493 . 1 . 1 50 50 ARG HA H 1 4.588 0.000 . 1 . . . . . 83 ARG HA . 50772 1 494 . 1 . 1 50 50 ARG HB2 H 1 1.633 0.000 . 2 . . . . . 83 ARG HB2 . 50772 1 495 . 1 . 1 50 50 ARG HB3 H 1 1.720 0.000 . 2 . . . . . 83 ARG HB3 . 50772 1 496 . 1 . 1 50 50 ARG HG2 H 1 1.640 0.000 . 2 . . . . . 83 ARG HG2 . 50772 1 497 . 1 . 1 50 50 ARG HG3 H 1 1.715 0.000 . 2 . . . . . 83 ARG HG3 . 50772 1 498 . 1 . 1 50 50 ARG HD2 H 1 3.258 0.000 . 2 . . . . . 83 ARG HD2 . 50772 1 499 . 1 . 1 50 50 ARG HD3 H 1 3.419 0.000 . 2 . . . . . 83 ARG HD3 . 50772 1 500 . 1 . 1 50 50 ARG C C 13 174.422 0.000 . 1 . . . . . 83 ARG C . 50772 1 501 . 1 . 1 50 50 ARG CA C 13 55.946 0.098 . 1 . . . . . 83 ARG CA . 50772 1 502 . 1 . 1 50 50 ARG CB C 13 33.727 0.054 . 1 . . . . . 83 ARG CB . 50772 1 503 . 1 . 1 50 50 ARG CG C 13 27.617 0.013 . 1 . . . . . 83 ARG CG . 50772 1 504 . 1 . 1 50 50 ARG CD C 13 43.875 0.005 . 1 . . . . . 83 ARG CD . 50772 1 505 . 1 . 1 50 50 ARG N N 15 123.008 0.089 . 1 . . . . . 83 ARG N . 50772 1 506 . 1 . 1 51 51 LYS H H 1 8.405 0.005 . 1 . . . . . 84 LYS H . 50772 1 507 . 1 . 1 51 51 LYS HA H 1 4.931 0.000 . 1 . . . . . 84 LYS HA . 50772 1 508 . 1 . 1 51 51 LYS HB2 H 1 1.745 0.000 . 2 . . . . . 84 LYS HB2 . 50772 1 509 . 1 . 1 51 51 LYS HB3 H 1 1.636 0.000 . 2 . . . . . 84 LYS HB3 . 50772 1 510 . 1 . 1 51 51 LYS HG2 H 1 1.400 0.000 . 2 . . . . . 84 LYS HG2 . 50772 1 511 . 1 . 1 51 51 LYS HG3 H 1 1.306 0.000 . 2 . . . . . 84 LYS HG3 . 50772 1 512 . 1 . 1 51 51 LYS HD2 H 1 1.286 0.000 . 2 . . . . . 84 LYS HD2 . 50772 1 513 . 1 . 1 51 51 LYS HD3 H 1 1.478 0.000 . 2 . . . . . 84 LYS HD3 . 50772 1 514 . 1 . 1 51 51 LYS HE2 H 1 2.929 0.000 . 1 . . . . . 84 LYS HE2 . 50772 1 515 . 1 . 1 51 51 LYS HE3 H 1 2.929 0.000 . 1 . . . . . 84 LYS HE3 . 50772 1 516 . 1 . 1 51 51 LYS C C 13 175.408 0.000 . 1 . . . . . 84 LYS C . 50772 1 517 . 1 . 1 51 51 LYS CA C 13 55.282 0.019 . 1 . . . . . 84 LYS CA . 50772 1 518 . 1 . 1 51 51 LYS CB C 13 34.931 0.002 . 1 . . . . . 84 LYS CB . 50772 1 519 . 1 . 1 51 51 LYS CG C 13 24.587 0.008 . 1 . . . . . 84 LYS CG . 50772 1 520 . 1 . 1 51 51 LYS CD C 13 29.448 0.012 . 1 . . . . . 84 LYS CD . 50772 1 521 . 1 . 1 51 51 LYS CE C 13 42.339 0.000 . 1 . . . . . 84 LYS CE . 50772 1 522 . 1 . 1 51 51 LYS N N 15 121.712 0.070 . 1 . . . . . 84 LYS N . 50772 1 523 . 1 . 1 52 52 ILE H H 1 8.704 0.004 . 1 . . . . . 85 ILE H . 50772 1 524 . 1 . 1 52 52 ILE HA H 1 4.486 0.000 . 1 . . . . . 85 ILE HA . 50772 1 525 . 1 . 1 52 52 ILE HB H 1 1.779 0.000 . 1 . . . . . 85 ILE HB . 50772 1 526 . 1 . 1 52 52 ILE HG12 H 1 1.472 0.000 . 2 . . . . . 85 ILE HG12 . 50772 1 527 . 1 . 1 52 52 ILE HG13 H 1 1.101 0.000 . 2 . . . . . 85 ILE HG13 . 50772 1 528 . 1 . 1 52 52 ILE HG21 H 1 0.867 0.000 . 1 . . . . . 85 ILE HG21 . 50772 1 529 . 1 . 1 52 52 ILE HG22 H 1 0.867 0.000 . 1 . . . . . 85 ILE HG22 . 50772 1 530 . 1 . 1 52 52 ILE HG23 H 1 0.867 0.000 . 1 . . . . . 85 ILE HG23 . 50772 1 531 . 1 . 1 52 52 ILE HD11 H 1 0.847 0.000 . 1 . . . . . 85 ILE HD11 . 50772 1 532 . 1 . 1 52 52 ILE HD12 H 1 0.847 0.000 . 1 . . . . . 85 ILE HD12 . 50772 1 533 . 1 . 1 52 52 ILE HD13 H 1 0.847 0.000 . 1 . . . . . 85 ILE HD13 . 50772 1 534 . 1 . 1 52 52 ILE C C 13 174.122 0.000 . 1 . . . . . 85 ILE C . 50772 1 535 . 1 . 1 52 52 ILE CA C 13 59.832 0.060 . 1 . . . . . 85 ILE CA . 50772 1 536 . 1 . 1 52 52 ILE CB C 13 41.606 0.012 . 1 . . . . . 85 ILE CB . 50772 1 537 . 1 . 1 52 52 ILE CG1 C 13 27.056 0.083 . 1 . . . . . 85 ILE CG1 . 50772 1 538 . 1 . 1 52 52 ILE CG2 C 13 17.499 0.000 . 1 . . . . . 85 ILE CG2 . 50772 1 539 . 1 . 1 52 52 ILE CD1 C 13 13.527 0.000 . 1 . . . . . 85 ILE CD1 . 50772 1 540 . 1 . 1 52 52 ILE N N 15 119.214 0.017 . 1 . . . . . 85 ILE N . 50772 1 541 . 1 . 1 53 53 ASN H H 1 8.710 0.002 . 1 . . . . . 86 ASN H . 50772 1 542 . 1 . 1 53 53 ASN HA H 1 4.962 0.000 . 1 . . . . . 86 ASN HA . 50772 1 543 . 1 . 1 53 53 ASN HB2 H 1 2.924 0.000 . 2 . . . . . 86 ASN HB2 . 50772 1 544 . 1 . 1 53 53 ASN HB3 H 1 2.663 0.000 . 2 . . . . . 86 ASN HB3 . 50772 1 545 . 1 . 1 53 53 ASN HD21 H 1 7.564 0.000 . 1 . . . . . 86 ASN HD21 . 50772 1 546 . 1 . 1 53 53 ASN HD22 H 1 6.871 0.000 . 1 . . . . . 86 ASN HD22 . 50772 1 547 . 1 . 1 53 53 ASN C C 13 175.608 0.000 . 1 . . . . . 86 ASN C . 50772 1 548 . 1 . 1 53 53 ASN CA C 13 52.871 0.061 . 1 . . . . . 86 ASN CA . 50772 1 549 . 1 . 1 53 53 ASN CB C 13 38.709 0.008 . 1 . . . . . 86 ASN CB . 50772 1 550 . 1 . 1 53 53 ASN N N 15 123.027 0.020 . 1 . . . . . 86 ASN N . 50772 1 551 . 1 . 1 53 53 ASN ND2 N 15 112.518 0.009 . 1 . . . . . 86 ASN ND2 . 50772 1 552 . 1 . 1 54 54 THR H H 1 8.236 0.002 . 1 . . . . . 87 THR H . 50772 1 553 . 1 . 1 54 54 THR HA H 1 4.540 0.000 . 1 . . . . . 87 THR HA . 50772 1 554 . 1 . 1 54 54 THR HB H 1 4.437 0.000 . 1 . . . . . 87 THR HB . 50772 1 555 . 1 . 1 54 54 THR CA C 13 61.400 0.016 . 1 . . . . . 87 THR CA . 50772 1 556 . 1 . 1 54 54 THR CB C 13 70.870 0.072 . 1 . . . . . 87 THR CB . 50772 1 557 . 1 . 1 54 54 THR N N 15 115.528 0.033 . 1 . . . . . 87 THR N . 50772 1 558 . 1 . 1 55 55 GLY HA2 H 1 4.201 0.000 . 2 . . . . . 88 GLY HA2 . 50772 1 559 . 1 . 1 55 55 GLY HA3 H 1 3.821 0.000 . 2 . . . . . 88 GLY HA3 . 50772 1 560 . 1 . 1 55 55 GLY C C 13 174.092 0.000 . 1 . . . . . 88 GLY C . 50772 1 561 . 1 . 1 55 55 GLY CA C 13 45.854 0.008 . 1 . . . . . 88 GLY CA . 50772 1 562 . 1 . 1 56 56 ASN H H 1 8.210 0.002 . 1 . . . . . 89 ASN H . 50772 1 563 . 1 . 1 56 56 ASN HA H 1 4.891 0.000 . 1 . . . . . 89 ASN HA . 50772 1 564 . 1 . 1 56 56 ASN HB2 H 1 2.632 0.000 . 2 . . . . . 89 ASN HB2 . 50772 1 565 . 1 . 1 56 56 ASN HB3 H 1 2.863 0.000 . 2 . . . . . 89 ASN HB3 . 50772 1 566 . 1 . 1 56 56 ASN C C 13 174.720 0.000 . 1 . . . . . 89 ASN C . 50772 1 567 . 1 . 1 56 56 ASN CA C 13 52.697 0.012 . 1 . . . . . 89 ASN CA . 50772 1 568 . 1 . 1 56 56 ASN CB C 13 39.157 0.053 . 1 . . . . . 89 ASN CB . 50772 1 569 . 1 . 1 56 56 ASN N N 15 118.476 0.019 . 1 . . . . . 89 ASN N . 50772 1 570 . 1 . 1 57 57 GLY H H 1 7.962 0.001 . 1 . . . . . 90 GLY H . 50772 1 571 . 1 . 1 57 57 GLY HA2 H 1 3.881 0.000 . 2 . . . . . 90 GLY HA2 . 50772 1 572 . 1 . 1 57 57 GLY HA3 H 1 4.273 0.000 . 2 . . . . . 90 GLY HA3 . 50772 1 573 . 1 . 1 57 57 GLY C C 13 173.497 0.000 . 1 . . . . . 90 GLY C . 50772 1 574 . 1 . 1 57 57 GLY CA C 13 44.608 0.060 . 1 . . . . . 90 GLY CA . 50772 1 575 . 1 . 1 57 57 GLY N N 15 108.920 0.012 . 1 . . . . . 90 GLY N . 50772 1 576 . 1 . 1 58 58 ILE H H 1 8.337 0.001 . 1 . . . . . 91 ILE H . 50772 1 577 . 1 . 1 58 58 ILE HA H 1 4.539 0.000 . 1 . . . . . 91 ILE HA . 50772 1 578 . 1 . 1 58 58 ILE HB H 1 1.789 0.000 . 1 . . . . . 91 ILE HB . 50772 1 579 . 1 . 1 58 58 ILE HG12 H 1 1.481 0.000 . 2 . . . . . 91 ILE HG12 . 50772 1 580 . 1 . 1 58 58 ILE HG13 H 1 1.163 0.000 . 2 . . . . . 91 ILE HG13 . 50772 1 581 . 1 . 1 58 58 ILE HG21 H 1 0.800 0.000 . 1 . . . . . 91 ILE HG21 . 50772 1 582 . 1 . 1 58 58 ILE HG22 H 1 0.800 0.000 . 1 . . . . . 91 ILE HG22 . 50772 1 583 . 1 . 1 58 58 ILE HG23 H 1 0.800 0.000 . 1 . . . . . 91 ILE HG23 . 50772 1 584 . 1 . 1 58 58 ILE HD11 H 1 0.798 0.000 . 1 . . . . . 91 ILE HD11 . 50772 1 585 . 1 . 1 58 58 ILE HD12 H 1 0.798 0.000 . 1 . . . . . 91 ILE HD12 . 50772 1 586 . 1 . 1 58 58 ILE HD13 H 1 0.798 0.000 . 1 . . . . . 91 ILE HD13 . 50772 1 587 . 1 . 1 58 58 ILE C C 13 176.176 0.000 . 1 . . . . . 91 ILE C . 50772 1 588 . 1 . 1 58 58 ILE CA C 13 60.688 0.014 . 1 . . . . . 91 ILE CA . 50772 1 589 . 1 . 1 58 58 ILE CB C 13 38.726 0.046 . 1 . . . . . 91 ILE CB . 50772 1 590 . 1 . 1 58 58 ILE CG1 C 13 27.714 0.028 . 1 . . . . . 91 ILE CG1 . 50772 1 591 . 1 . 1 58 58 ILE CG2 C 13 17.993 0.000 . 1 . . . . . 91 ILE CG2 . 50772 1 592 . 1 . 1 58 58 ILE CD1 C 13 12.594 0.000 . 1 . . . . . 91 ILE CD1 . 50772 1 593 . 1 . 1 58 58 ILE N N 15 121.333 0.036 . 1 . . . . . 91 ILE N . 50772 1 594 . 1 . 1 59 59 LYS H H 1 8.881 0.004 . 1 . . . . . 92 LYS H . 50772 1 595 . 1 . 1 59 59 LYS HA H 1 4.591 0.000 . 1 . . . . . 92 LYS HA . 50772 1 596 . 1 . 1 59 59 LYS HB2 H 1 1.664 0.000 . 2 . . . . . 92 LYS HB2 . 50772 1 597 . 1 . 1 59 59 LYS HB3 H 1 1.760 0.000 . 2 . . . . . 92 LYS HB3 . 50772 1 598 . 1 . 1 59 59 LYS HG2 H 1 1.401 0.000 . 2 . . . . . 92 LYS HG2 . 50772 1 599 . 1 . 1 59 59 LYS HG3 H 1 1.296 0.000 . 2 . . . . . 92 LYS HG3 . 50772 1 600 . 1 . 1 59 59 LYS HD2 H 1 1.647 0.000 . 2 . . . . . 92 LYS HD2 . 50772 1 601 . 1 . 1 59 59 LYS HD3 H 1 1.595 0.000 . 2 . . . . . 92 LYS HD3 . 50772 1 602 . 1 . 1 59 59 LYS HE2 H 1 2.932 0.000 . 1 . . . . . 92 LYS HE2 . 50772 1 603 . 1 . 1 59 59 LYS HE3 H 1 2.932 0.000 . 1 . . . . . 92 LYS HE3 . 50772 1 604 . 1 . 1 59 59 LYS C C 13 175.165 0.000 . 1 . . . . . 92 LYS C . 50772 1 605 . 1 . 1 59 59 LYS CA C 13 54.993 0.044 . 1 . . . . . 92 LYS CA . 50772 1 606 . 1 . 1 59 59 LYS CB C 13 34.615 0.023 . 1 . . . . . 92 LYS CB . 50772 1 607 . 1 . 1 59 59 LYS CG C 13 24.761 0.003 . 1 . . . . . 92 LYS CG . 50772 1 608 . 1 . 1 59 59 LYS CD C 13 29.311 0.005 . 1 . . . . . 92 LYS CD . 50772 1 609 . 1 . 1 59 59 LYS CE C 13 42.105 0.000 . 1 . . . . . 92 LYS CE . 50772 1 610 . 1 . 1 59 59 LYS N N 15 127.649 0.040 . 1 . . . . . 92 LYS N . 50772 1 611 . 1 . 1 60 60 GLN H H 1 8.641 0.001 . 1 . . . . . 93 GLN H . 50772 1 612 . 1 . 1 60 60 GLN HA H 1 4.480 0.000 . 1 . . . . . 93 GLN HA . 50772 1 613 . 1 . 1 60 60 GLN HB2 H 1 1.959 0.000 . 2 . . . . . 93 GLN HB2 . 50772 1 614 . 1 . 1 60 60 GLN HB3 H 1 2.107 0.000 . 2 . . . . . 93 GLN HB3 . 50772 1 615 . 1 . 1 60 60 GLN HG2 H 1 2.387 0.000 . 1 . . . . . 93 GLN HG2 . 50772 1 616 . 1 . 1 60 60 GLN HG3 H 1 2.387 0.000 . 1 . . . . . 93 GLN HG3 . 50772 1 617 . 1 . 1 60 60 GLN HE21 H 1 7.595 0.000 . 1 . . . . . 93 GLN HE21 . 50772 1 618 . 1 . 1 60 60 GLN HE22 H 1 6.879 0.000 . 1 . . . . . 93 GLN HE22 . 50772 1 619 . 1 . 1 60 60 GLN C C 13 175.679 0.000 . 1 . . . . . 93 GLN C . 50772 1 620 . 1 . 1 60 60 GLN CA C 13 55.690 0.024 . 1 . . . . . 93 GLN CA . 50772 1 621 . 1 . 1 60 60 GLN CB C 13 29.620 0.033 . 1 . . . . . 93 GLN CB . 50772 1 622 . 1 . 1 60 60 GLN CG C 13 33.946 0.000 . 1 . . . . . 93 GLN CG . 50772 1 623 . 1 . 1 60 60 GLN N N 15 123.660 0.027 . 1 . . . . . 93 GLN N . 50772 1 624 . 1 . 1 60 60 GLN NE2 N 15 112.491 0.000 . 1 . . . . . 93 GLN NE2 . 50772 1 625 . 1 . 1 61 61 LEU H H 1 8.339 0.002 . 1 . . . . . 94 LEU H . 50772 1 626 . 1 . 1 61 61 LEU HA H 1 4.576 0.000 . 1 . . . . . 94 LEU HA . 50772 1 627 . 1 . 1 61 61 LEU HB2 H 1 2.668 0.000 . 2 . . . . . 94 LEU HB2 . 50772 1 628 . 1 . 1 61 61 LEU HB3 H 1 1.545 0.000 . 2 . . . . . 94 LEU HB3 . 50772 1 629 . 1 . 1 61 61 LEU HG H 1 1.483 0.000 . 1 . . . . . 94 LEU HG . 50772 1 630 . 1 . 1 61 61 LEU HD11 H 1 0.810 0.000 . 2 . . . . . 94 LEU HD11 . 50772 1 631 . 1 . 1 61 61 LEU HD12 H 1 0.810 0.000 . 2 . . . . . 94 LEU HD12 . 50772 1 632 . 1 . 1 61 61 LEU HD13 H 1 0.810 0.000 . 2 . . . . . 94 LEU HD13 . 50772 1 633 . 1 . 1 61 61 LEU HD21 H 1 0.815 0.000 . 2 . . . . . 94 LEU HD21 . 50772 1 634 . 1 . 1 61 61 LEU HD22 H 1 0.815 0.000 . 2 . . . . . 94 LEU HD22 . 50772 1 635 . 1 . 1 61 61 LEU HD23 H 1 0.815 0.000 . 2 . . . . . 94 LEU HD23 . 50772 1 636 . 1 . 1 61 61 LEU C C 13 176.403 0.000 . 1 . . . . . 94 LEU C . 50772 1 637 . 1 . 1 61 61 LEU CA C 13 53.277 0.031 . 1 . . . . . 94 LEU CA . 50772 1 638 . 1 . 1 61 61 LEU CB C 13 43.446 0.105 . 1 . . . . . 94 LEU CB . 50772 1 639 . 1 . 1 61 61 LEU CG C 13 27.222 0.000 . 1 . . . . . 94 LEU CG . 50772 1 640 . 1 . 1 61 61 LEU CD1 C 13 25.580 0.000 . 2 . . . . . 94 LEU CD1 . 50772 1 641 . 1 . 1 61 61 LEU CD2 C 13 22.684 0.000 . 2 . . . . . 94 LEU CD2 . 50772 1 642 . 1 . 1 61 61 LEU N N 15 125.183 0.036 . 1 . . . . . 94 LEU N . 50772 1 643 . 1 . 1 62 62 ALA H H 1 8.287 0.003 . 1 . . . . . 95 ALA H . 50772 1 644 . 1 . 1 62 62 ALA HA H 1 4.552 0.000 . 1 . . . . . 95 ALA HA . 50772 1 645 . 1 . 1 62 62 ALA HB1 H 1 1.188 0.000 . 1 . . . . . 95 ALA HB1 . 50772 1 646 . 1 . 1 62 62 ALA HB2 H 1 1.188 0.000 . 1 . . . . . 95 ALA HB2 . 50772 1 647 . 1 . 1 62 62 ALA HB3 H 1 1.188 0.000 . 1 . . . . . 95 ALA HB3 . 50772 1 648 . 1 . 1 62 62 ALA CA C 13 50.740 0.005 . 1 . . . . . 95 ALA CA . 50772 1 649 . 1 . 1 62 62 ALA CB C 13 18.128 0.001 . 1 . . . . . 95 ALA CB . 50772 1 650 . 1 . 1 62 62 ALA N N 15 125.682 0.021 . 1 . . . . . 95 ALA N . 50772 1 651 . 1 . 1 63 63 PRO C C 13 175.047 0.000 . 1 . . . . . 96 PRO C . 50772 1 652 . 1 . 1 63 63 PRO CA C 13 63.219 0.000 . 1 . . . . . 96 PRO CA . 50772 1 653 . 1 . 1 63 63 PRO CB C 13 32.550 0.000 . 1 . . . . . 96 PRO CB . 50772 1 654 . 1 . 1 64 64 ARG H H 1 8.076 0.002 . 1 . . . . . 97 ARG H . 50772 1 655 . 1 . 1 64 64 ARG HA H 1 5.449 0.000 . 1 . . . . . 97 ARG HA . 50772 1 656 . 1 . 1 64 64 ARG HB2 H 1 1.750 0.000 . 1 . . . . . 97 ARG HB2 . 50772 1 657 . 1 . 1 64 64 ARG HB3 H 1 1.750 0.000 . 1 . . . . . 97 ARG HB3 . 50772 1 658 . 1 . 1 64 64 ARG HG2 H 1 1.505 0.000 . 1 . . . . . 97 ARG HG2 . 50772 1 659 . 1 . 1 64 64 ARG HG3 H 1 1.505 0.000 . 1 . . . . . 97 ARG HG3 . 50772 1 660 . 1 . 1 64 64 ARG HD2 H 1 3.103 0.000 . 2 . . . . . 97 ARG HD2 . 50772 1 661 . 1 . 1 64 64 ARG HD3 H 1 3.225 0.000 . 2 . . . . . 97 ARG HD3 . 50772 1 662 . 1 . 1 64 64 ARG C C 13 174.049 0.035 . 1 . . . . . 97 ARG C . 50772 1 663 . 1 . 1 64 64 ARG CA C 13 54.299 0.052 . 1 . . . . . 97 ARG CA . 50772 1 664 . 1 . 1 64 64 ARG CB C 13 35.032 0.110 . 1 . . . . . 97 ARG CB . 50772 1 665 . 1 . 1 64 64 ARG CG C 13 27.895 0.000 . 1 . . . . . 97 ARG CG . 50772 1 666 . 1 . 1 64 64 ARG CD C 13 44.135 0.029 . 1 . . . . . 97 ARG CD . 50772 1 667 . 1 . 1 64 64 ARG N N 15 119.240 0.046 . 1 . . . . . 97 ARG N . 50772 1 668 . 1 . 1 65 65 TRP H H 1 9.589 0.003 . 1 . . . . . 98 TRP H . 50772 1 669 . 1 . 1 65 65 TRP HA H 1 5.614 0.022 . 1 . . . . . 98 TRP HA . 50772 1 670 . 1 . 1 65 65 TRP HB2 H 1 3.165 0.018 . 2 . . . . . 98 TRP HB2 . 50772 1 671 . 1 . 1 65 65 TRP HB3 H 1 3.370 0.000 . 2 . . . . . 98 TRP HB3 . 50772 1 672 . 1 . 1 65 65 TRP HD1 H 1 7.319 0.006 . 1 . . . . . 98 TRP HD1 . 50772 1 673 . 1 . 1 65 65 TRP HE1 H 1 10.912 0.003 . 1 . . . . . 98 TRP HE1 . 50772 1 674 . 1 . 1 65 65 TRP HE3 H 1 7.468 0.006 . 1 . . . . . 98 TRP HE3 . 50772 1 675 . 1 . 1 65 65 TRP HZ2 H 1 7.686 0.040 . 1 . . . . . 98 TRP HZ2 . 50772 1 676 . 1 . 1 65 65 TRP HZ3 H 1 7.094 0.017 . 1 . . . . . 98 TRP HZ3 . 50772 1 677 . 1 . 1 65 65 TRP HH2 H 1 7.381 0.006 . 1 . . . . . 98 TRP HH2 . 50772 1 678 . 1 . 1 65 65 TRP C C 13 175.607 0.000 . 1 . . . . . 98 TRP C . 50772 1 679 . 1 . 1 65 65 TRP CA C 13 55.483 0.000 . 1 . . . . . 98 TRP CA . 50772 1 680 . 1 . 1 65 65 TRP CB C 13 31.162 0.002 . 1 . . . . . 98 TRP CB . 50772 1 681 . 1 . 1 65 65 TRP CD1 C 13 125.907 0.048 . 1 . . . . . 98 TRP CD1 . 50772 1 682 . 1 . 1 65 65 TRP CE3 C 13 121.589 0.063 . 1 . . . . . 98 TRP CE3 . 50772 1 683 . 1 . 1 65 65 TRP CZ2 C 13 113.077 0.000 . 1 . . . . . 98 TRP CZ2 . 50772 1 684 . 1 . 1 65 65 TRP CZ3 C 13 125.895 0.000 . 1 . . . . . 98 TRP CZ3 . 50772 1 685 . 1 . 1 65 65 TRP CH2 C 13 124.795 0.043 . 1 . . . . . 98 TRP CH2 . 50772 1 686 . 1 . 1 65 65 TRP N N 15 124.339 0.074 . 1 . . . . . 98 TRP N . 50772 1 687 . 1 . 1 65 65 TRP NE1 N 15 129.751 0.030 . 1 . . . . . 98 TRP NE1 . 50772 1 688 . 1 . 1 66 66 TYR H H 1 8.872 0.003 . 1 . . . . . 99 TYR H . 50772 1 689 . 1 . 1 66 66 TYR HA H 1 5.696 0.000 . 1 . . . . . 99 TYR HA . 50772 1 690 . 1 . 1 66 66 TYR HB2 H 1 2.952 0.000 . 2 . . . . . 99 TYR HB2 . 50772 1 691 . 1 . 1 66 66 TYR HB3 H 1 2.830 0.000 . 2 . . . . . 99 TYR HB3 . 50772 1 692 . 1 . 1 66 66 TYR HD1 H 1 7.316 0.003 . 1 . . . . . 99 TYR HD1 . 50772 1 693 . 1 . 1 66 66 TYR HD2 H 1 7.316 0.003 . 1 . . . . . 99 TYR HD2 . 50772 1 694 . 1 . 1 66 66 TYR HE1 H 1 7.222 0.003 . 1 . . . . . 99 TYR HE1 . 50772 1 695 . 1 . 1 66 66 TYR HE2 H 1 7.222 0.003 . 1 . . . . . 99 TYR HE2 . 50772 1 696 . 1 . 1 66 66 TYR CA C 13 57.151 0.000 . 1 . . . . . 99 TYR CA . 50772 1 697 . 1 . 1 66 66 TYR CB C 13 43.878 0.003 . 1 . . . . . 99 TYR CB . 50772 1 698 . 1 . 1 66 66 TYR CD1 C 13 133.730 0.044 . 1 . . . . . 99 TYR CD1 . 50772 1 699 . 1 . 1 66 66 TYR CD2 C 13 133.730 0.044 . 1 . . . . . 99 TYR CD2 . 50772 1 700 . 1 . 1 66 66 TYR CE1 C 13 114.105 0.000 . 1 . . . . . 99 TYR CE1 . 50772 1 701 . 1 . 1 66 66 TYR CE2 C 13 114.105 0.000 . 1 . . . . . 99 TYR CE2 . 50772 1 702 . 1 . 1 66 66 TYR N N 15 119.247 0.104 . 1 . . . . . 99 TYR N . 50772 1 703 . 1 . 1 67 67 PHE HA H 1 4.138 0.000 . 1 . . . . . 100 PHE HA . 50772 1 704 . 1 . 1 67 67 PHE HB2 H 1 -0.102 0.000 . 2 . . . . . 100 PHE HB2 . 50772 1 705 . 1 . 1 67 67 PHE HB3 H 1 1.533 0.000 . 2 . . . . . 100 PHE HB3 . 50772 1 706 . 1 . 1 67 67 PHE HD1 H 1 6.892 0.003 . 1 . . . . . 100 PHE HD1 . 50772 1 707 . 1 . 1 67 67 PHE HD2 H 1 6.892 0.003 . 1 . . . . . 100 PHE HD2 . 50772 1 708 . 1 . 1 67 67 PHE HE1 H 1 7.313 0.008 . 1 . . . . . 100 PHE HE1 . 50772 1 709 . 1 . 1 67 67 PHE HE2 H 1 7.313 0.008 . 1 . . . . . 100 PHE HE2 . 50772 1 710 . 1 . 1 67 67 PHE C C 13 174.905 0.000 . 1 . . . . . 100 PHE C . 50772 1 711 . 1 . 1 67 67 PHE CA C 13 56.849 0.000 . 1 . . . . . 100 PHE CA . 50772 1 712 . 1 . 1 67 67 PHE CB C 13 39.017 0.007 . 1 . . . . . 100 PHE CB . 50772 1 713 . 1 . 1 67 67 PHE CD1 C 13 129.453 0.011 . 1 . . . . . 100 PHE CD1 . 50772 1 714 . 1 . 1 67 67 PHE CD2 C 13 129.453 0.011 . 1 . . . . . 100 PHE CD2 . 50772 1 715 . 1 . 1 67 67 PHE CE1 C 13 130.955 0.013 . 1 . . . . . 100 PHE CE1 . 50772 1 716 . 1 . 1 67 67 PHE CE2 C 13 130.955 0.013 . 1 . . . . . 100 PHE CE2 . 50772 1 717 . 1 . 1 68 68 TYR H H 1 7.864 0.003 . 1 . . . . . 101 TYR H . 50772 1 718 . 1 . 1 68 68 TYR HA H 1 3.650 0.029 . 1 . . . . . 101 TYR HA . 50772 1 719 . 1 . 1 68 68 TYR HB2 H 1 2.571 0.000 . 2 . . . . . 101 TYR HB2 . 50772 1 720 . 1 . 1 68 68 TYR HB3 H 1 1.159 0.008 . 2 . . . . . 101 TYR HB3 . 50772 1 721 . 1 . 1 68 68 TYR HD1 H 1 6.312 0.016 . 1 . . . . . 101 TYR HD1 . 50772 1 722 . 1 . 1 68 68 TYR HD2 H 1 6.312 0.016 . 1 . . . . . 101 TYR HD2 . 50772 1 723 . 1 . 1 68 68 TYR C C 13 171.901 0.000 . 1 . . . . . 101 TYR C . 50772 1 724 . 1 . 1 68 68 TYR CA C 13 56.557 0.051 . 1 . . . . . 101 TYR CA . 50772 1 725 . 1 . 1 68 68 TYR CB C 13 40.229 0.024 . 1 . . . . . 101 TYR CB . 50772 1 726 . 1 . 1 68 68 TYR CD1 C 13 130.958 0.012 . 1 . . . . . 101 TYR CD1 . 50772 1 727 . 1 . 1 68 68 TYR CD2 C 13 130.958 0.012 . 1 . . . . . 101 TYR CD2 . 50772 1 728 . 1 . 1 68 68 TYR N N 15 127.561 0.020 . 1 . . . . . 101 TYR N . 50772 1 729 . 1 . 1 69 69 TYR H H 1 6.953 0.013 . 1 . . . . . 102 TYR H . 50772 1 730 . 1 . 1 69 69 TYR HA H 1 4.775 0.001 . 1 . . . . . 102 TYR HA . 50772 1 731 . 1 . 1 69 69 TYR HB2 H 1 3.780 0.000 . 2 . . . . . 102 TYR HB2 . 50772 1 732 . 1 . 1 69 69 TYR HB3 H 1 2.891 0.000 . 2 . . . . . 102 TYR HB3 . 50772 1 733 . 1 . 1 69 69 TYR C C 13 176.603 0.000 . 1 . . . . . 102 TYR C . 50772 1 734 . 1 . 1 69 69 TYR CA C 13 59.709 0.055 . 1 . . . . . 102 TYR CA . 50772 1 735 . 1 . 1 69 69 TYR CB C 13 40.564 0.050 . 1 . . . . . 102 TYR CB . 50772 1 736 . 1 . 1 69 69 TYR N N 15 117.510 0.013 . 1 . . . . . 102 TYR N . 50772 1 737 . 1 . 1 70 70 THR H H 1 8.589 0.006 . 1 . . . . . 103 THR H . 50772 1 738 . 1 . 1 70 70 THR HA H 1 4.247 0.000 . 1 . . . . . 103 THR HA . 50772 1 739 . 1 . 1 70 70 THR HB H 1 4.222 0.000 . 1 . . . . . 103 THR HB . 50772 1 740 . 1 . 1 70 70 THR HG21 H 1 1.419 0.000 . 1 . . . . . 103 THR HG21 . 50772 1 741 . 1 . 1 70 70 THR HG22 H 1 1.419 0.000 . 1 . . . . . 103 THR HG22 . 50772 1 742 . 1 . 1 70 70 THR HG23 H 1 1.419 0.000 . 1 . . . . . 103 THR HG23 . 50772 1 743 . 1 . 1 70 70 THR C C 13 175.504 0.000 . 1 . . . . . 103 THR C . 50772 1 744 . 1 . 1 70 70 THR CA C 13 65.241 0.048 . 1 . . . . . 103 THR CA . 50772 1 745 . 1 . 1 70 70 THR CB C 13 69.309 0.015 . 1 . . . . . 103 THR CB . 50772 1 746 . 1 . 1 70 70 THR CG2 C 13 23.354 0.000 . 1 . . . . . 103 THR CG2 . 50772 1 747 . 1 . 1 70 70 THR N N 15 119.945 0.013 . 1 . . . . . 103 THR N . 50772 1 748 . 1 . 1 71 71 GLY H H 1 10.317 0.006 . 1 . . . . . 104 GLY H . 50772 1 749 . 1 . 1 71 71 GLY HA2 H 1 4.853 0.002 . 2 . . . . . 104 GLY HA2 . 50772 1 750 . 1 . 1 71 71 GLY HA3 H 1 4.130 0.000 . 2 . . . . . 104 GLY HA3 . 50772 1 751 . 1 . 1 71 71 GLY C C 13 174.303 0.000 . 1 . . . . . 104 GLY C . 50772 1 752 . 1 . 1 71 71 GLY CA C 13 46.388 0.056 . 1 . . . . . 104 GLY CA . 50772 1 753 . 1 . 1 71 71 GLY N N 15 115.144 0.034 . 1 . . . . . 104 GLY N . 50772 1 754 . 1 . 1 72 72 THR H H 1 8.155 0.005 . 1 . . . . . 105 THR H . 50772 1 755 . 1 . 1 72 72 THR HA H 1 5.104 0.001 . 1 . . . . . 105 THR HA . 50772 1 756 . 1 . 1 72 72 THR HB H 1 4.272 0.003 . 1 . . . . . 105 THR HB . 50772 1 757 . 1 . 1 72 72 THR HG21 H 1 1.344 0.000 . 1 . . . . . 105 THR HG21 . 50772 1 758 . 1 . 1 72 72 THR HG22 H 1 1.344 0.000 . 1 . . . . . 105 THR HG22 . 50772 1 759 . 1 . 1 72 72 THR HG23 H 1 1.344 0.000 . 1 . . . . . 105 THR HG23 . 50772 1 760 . 1 . 1 72 72 THR C C 13 174.595 0.000 . 1 . . . . . 105 THR C . 50772 1 761 . 1 . 1 72 72 THR CA C 13 59.380 0.046 . 1 . . . . . 105 THR CA . 50772 1 762 . 1 . 1 72 72 THR CB C 13 73.846 0.033 . 1 . . . . . 105 THR CB . 50772 1 763 . 1 . 1 72 72 THR CG2 C 13 21.455 0.000 . 1 . . . . . 105 THR CG2 . 50772 1 764 . 1 . 1 72 72 THR N N 15 109.051 0.047 . 1 . . . . . 105 THR N . 50772 1 765 . 1 . 1 73 73 GLY H H 1 9.109 0.008 . 1 . . . . . 106 GLY H . 50772 1 766 . 1 . 1 73 73 GLY N N 15 106.847 0.043 . 1 . . . . . 106 GLY N . 50772 1 767 . 1 . 1 74 74 PRO HA H 1 4.146 0.000 . 1 . . . . . 107 PRO HA . 50772 1 768 . 1 . 1 74 74 PRO HB2 H 1 1.636 0.000 . 2 . . . . . 107 PRO HB2 . 50772 1 769 . 1 . 1 74 74 PRO HB3 H 1 2.379 0.000 . 2 . . . . . 107 PRO HB3 . 50772 1 770 . 1 . 1 74 74 PRO C C 13 177.524 0.000 . 1 . . . . . 107 PRO C . 50772 1 771 . 1 . 1 74 74 PRO CA C 13 64.626 0.001 . 1 . . . . . 107 PRO CA . 50772 1 772 . 1 . 1 74 74 PRO CB C 13 32.137 0.043 . 1 . . . . . 107 PRO CB . 50772 1 773 . 1 . 1 75 75 GLU H H 1 7.584 0.012 . 1 . . . . . 108 GLU H . 50772 1 774 . 1 . 1 75 75 GLU HA H 1 4.805 0.000 . 1 . . . . . 108 GLU HA . 50772 1 775 . 1 . 1 75 75 GLU HB2 H 1 2.109 0.000 . 1 . . . . . 108 GLU HB2 . 50772 1 776 . 1 . 1 75 75 GLU HB3 H 1 2.109 0.000 . 1 . . . . . 108 GLU HB3 . 50772 1 777 . 1 . 1 75 75 GLU HG2 H 1 1.877 0.000 . 2 . . . . . 108 GLU HG2 . 50772 1 778 . 1 . 1 75 75 GLU HG3 H 1 1.661 0.000 . 2 . . . . . 108 GLU HG3 . 50772 1 779 . 1 . 1 75 75 GLU C C 13 176.909 0.000 . 1 . . . . . 108 GLU C . 50772 1 780 . 1 . 1 75 75 GLU CA C 13 52.892 0.037 . 1 . . . . . 108 GLU CA . 50772 1 781 . 1 . 1 75 75 GLU CB C 13 25.541 0.064 . 1 . . . . . 108 GLU CB . 50772 1 782 . 1 . 1 75 75 GLU CG C 13 34.456 0.012 . 1 . . . . . 108 GLU CG . 50772 1 783 . 1 . 1 75 75 GLU N N 15 114.484 0.073 . 1 . . . . . 108 GLU N . 50772 1 784 . 1 . 1 76 76 ALA H H 1 7.020 0.002 . 1 . . . . . 109 ALA H . 50772 1 785 . 1 . 1 76 76 ALA HA H 1 3.628 0.000 . 1 . . . . . 109 ALA HA . 50772 1 786 . 1 . 1 76 76 ALA HB1 H 1 1.311 0.000 . 1 . . . . . 109 ALA HB1 . 50772 1 787 . 1 . 1 76 76 ALA HB2 H 1 1.311 0.000 . 1 . . . . . 109 ALA HB2 . 50772 1 788 . 1 . 1 76 76 ALA HB3 H 1 1.311 0.000 . 1 . . . . . 109 ALA HB3 . 50772 1 789 . 1 . 1 76 76 ALA C C 13 176.959 0.000 . 1 . . . . . 109 ALA C . 50772 1 790 . 1 . 1 76 76 ALA CA C 13 55.505 0.029 . 1 . . . . . 109 ALA CA . 50772 1 791 . 1 . 1 76 76 ALA CB C 13 18.737 0.169 . 1 . . . . . 109 ALA CB . 50772 1 792 . 1 . 1 76 76 ALA N N 15 123.314 0.010 . 1 . . . . . 109 ALA N . 50772 1 793 . 1 . 1 77 77 ALA H H 1 7.982 0.003 . 1 . . . . . 110 ALA H . 50772 1 794 . 1 . 1 77 77 ALA HA H 1 4.255 0.000 . 1 . . . . . 110 ALA HA . 50772 1 795 . 1 . 1 77 77 ALA HB1 H 1 1.350 0.000 . 1 . . . . . 110 ALA HB1 . 50772 1 796 . 1 . 1 77 77 ALA HB2 H 1 1.350 0.000 . 1 . . . . . 110 ALA HB2 . 50772 1 797 . 1 . 1 77 77 ALA HB3 H 1 1.350 0.000 . 1 . . . . . 110 ALA HB3 . 50772 1 798 . 1 . 1 77 77 ALA C C 13 178.315 0.000 . 1 . . . . . 110 ALA C . 50772 1 799 . 1 . 1 77 77 ALA CA C 13 52.148 0.040 . 1 . . . . . 110 ALA CA . 50772 1 800 . 1 . 1 77 77 ALA CB C 13 18.645 0.008 . 1 . . . . . 110 ALA CB . 50772 1 801 . 1 . 1 77 77 ALA N N 15 114.112 0.027 . 1 . . . . . 110 ALA N . 50772 1 802 . 1 . 1 78 78 LEU H H 1 7.684 0.002 . 1 . . . . . 111 LEU H . 50772 1 803 . 1 . 1 78 78 LEU HA H 1 4.524 0.000 . 1 . . . . . 111 LEU HA . 50772 1 804 . 1 . 1 78 78 LEU HB2 H 1 1.882 0.000 . 1 . . . . . 111 LEU HB2 . 50772 1 805 . 1 . 1 78 78 LEU HB3 H 1 1.882 0.000 . 1 . . . . . 111 LEU HB3 . 50772 1 806 . 1 . 1 78 78 LEU HG H 1 1.970 0.000 . 1 . . . . . 111 LEU HG . 50772 1 807 . 1 . 1 78 78 LEU HD11 H 1 0.849 0.000 . 2 . . . . . 111 LEU HD11 . 50772 1 808 . 1 . 1 78 78 LEU HD12 H 1 0.849 0.000 . 2 . . . . . 111 LEU HD12 . 50772 1 809 . 1 . 1 78 78 LEU HD13 H 1 0.849 0.000 . 2 . . . . . 111 LEU HD13 . 50772 1 810 . 1 . 1 78 78 LEU HD21 H 1 0.877 0.000 . 2 . . . . . 111 LEU HD21 . 50772 1 811 . 1 . 1 78 78 LEU HD22 H 1 0.877 0.000 . 2 . . . . . 111 LEU HD22 . 50772 1 812 . 1 . 1 78 78 LEU HD23 H 1 0.877 0.000 . 2 . . . . . 111 LEU HD23 . 50772 1 813 . 1 . 1 78 78 LEU CA C 13 52.932 0.033 . 1 . . . . . 111 LEU CA . 50772 1 814 . 1 . 1 78 78 LEU CB C 13 42.205 0.018 . 1 . . . . . 111 LEU CB . 50772 1 815 . 1 . 1 78 78 LEU CG C 13 26.484 0.000 . 1 . . . . . 111 LEU CG . 50772 1 816 . 1 . 1 78 78 LEU CD1 C 13 24.185 0.000 . 2 . . . . . 111 LEU CD1 . 50772 1 817 . 1 . 1 78 78 LEU CD2 C 13 25.616 0.000 . 2 . . . . . 111 LEU CD2 . 50772 1 818 . 1 . 1 78 78 LEU N N 15 121.992 0.059 . 1 . . . . . 111 LEU N . 50772 1 819 . 1 . 1 79 79 PRO HA H 1 4.370 0.000 . 1 . . . . . 112 PRO HA . 50772 1 820 . 1 . 1 79 79 PRO HB2 H 1 2.274 0.000 . 2 . . . . . 112 PRO HB2 . 50772 1 821 . 1 . 1 79 79 PRO HB3 H 1 1.750 0.000 . 2 . . . . . 112 PRO HB3 . 50772 1 822 . 1 . 1 79 79 PRO HD2 H 1 3.809 0.000 . 2 . . . . . 112 PRO HD2 . 50772 1 823 . 1 . 1 79 79 PRO HD3 H 1 3.732 0.000 . 2 . . . . . 112 PRO HD3 . 50772 1 824 . 1 . 1 79 79 PRO C C 13 174.557 0.000 . 1 . . . . . 112 PRO C . 50772 1 825 . 1 . 1 79 79 PRO CA C 13 62.036 0.062 . 1 . . . . . 112 PRO CA . 50772 1 826 . 1 . 1 79 79 PRO CB C 13 31.966 0.081 . 1 . . . . . 112 PRO CB . 50772 1 827 . 1 . 1 79 79 PRO CD C 13 50.684 0.001 . 1 . . . . . 112 PRO CD . 50772 1 828 . 1 . 1 80 80 PHE H H 1 8.270 0.003 . 1 . . . . . 113 PHE H . 50772 1 829 . 1 . 1 80 80 PHE HA H 1 2.674 0.008 . 1 . . . . . 113 PHE HA . 50772 1 830 . 1 . 1 80 80 PHE HB2 H 1 3.015 0.004 . 2 . . . . . 113 PHE HB2 . 50772 1 831 . 1 . 1 80 80 PHE HB3 H 1 2.568 0.000 . 2 . . . . . 113 PHE HB3 . 50772 1 832 . 1 . 1 80 80 PHE HD1 H 1 7.187 0.022 . 1 . . . . . 113 PHE HD1 . 50772 1 833 . 1 . 1 80 80 PHE HD2 H 1 7.187 0.022 . 1 . . . . . 113 PHE HD2 . 50772 1 834 . 1 . 1 80 80 PHE HE1 H 1 7.796 0.000 . 1 . . . . . 113 PHE HE1 . 50772 1 835 . 1 . 1 80 80 PHE HE2 H 1 7.796 0.000 . 1 . . . . . 113 PHE HE2 . 50772 1 836 . 1 . 1 80 80 PHE C C 13 175.639 0.000 . 1 . . . . . 113 PHE C . 50772 1 837 . 1 . 1 80 80 PHE CA C 13 59.179 0.013 . 1 . . . . . 113 PHE CA . 50772 1 838 . 1 . 1 80 80 PHE CB C 13 39.303 0.050 . 1 . . . . . 113 PHE CB . 50772 1 839 . 1 . 1 80 80 PHE CD1 C 13 133.504 0.000 . 1 . . . . . 113 PHE CD1 . 50772 1 840 . 1 . 1 80 80 PHE CD2 C 13 133.504 0.000 . 1 . . . . . 113 PHE CD2 . 50772 1 841 . 1 . 1 80 80 PHE N N 15 119.606 0.092 . 1 . . . . . 113 PHE N . 50772 1 842 . 1 . 1 81 81 ARG H H 1 3.062 0.003 . 1 . . . . . 114 ARG H . 50772 1 843 . 1 . 1 81 81 ARG HA H 1 1.622 0.010 . 1 . . . . . 114 ARG HA . 50772 1 844 . 1 . 1 81 81 ARG HB2 H 1 1.435 0.000 . 2 . . . . . 114 ARG HB2 . 50772 1 845 . 1 . 1 81 81 ARG HB3 H 1 1.554 0.000 . 2 . . . . . 114 ARG HB3 . 50772 1 846 . 1 . 1 81 81 ARG HG2 H 1 0.170 0.000 . 2 . . . . . 114 ARG HG2 . 50772 1 847 . 1 . 1 81 81 ARG HG3 H 1 0.713 0.000 . 2 . . . . . 114 ARG HG3 . 50772 1 848 . 1 . 1 81 81 ARG HD2 H 1 2.815 0.000 . 1 . . . . . 114 ARG HD2 . 50772 1 849 . 1 . 1 81 81 ARG HD3 H 1 2.815 0.000 . 1 . . . . . 114 ARG HD3 . 50772 1 850 . 1 . 1 81 81 ARG C C 13 175.215 0.000 . 1 . . . . . 114 ARG C . 50772 1 851 . 1 . 1 81 81 ARG CA C 13 59.181 0.011 . 1 . . . . . 114 ARG CA . 50772 1 852 . 1 . 1 81 81 ARG CB C 13 27.558 0.051 . 1 . . . . . 114 ARG CB . 50772 1 853 . 1 . 1 81 81 ARG CG C 13 28.496 0.029 . 1 . . . . . 114 ARG CG . 50772 1 854 . 1 . 1 81 81 ARG CD C 13 43.377 0.000 . 1 . . . . . 114 ARG CD . 50772 1 855 . 1 . 1 81 81 ARG N N 15 116.469 0.042 . 1 . . . . . 114 ARG N . 50772 1 856 . 1 . 1 82 82 ALA H H 1 7.728 0.003 . 1 . . . . . 115 ALA H . 50772 1 857 . 1 . 1 82 82 ALA HA H 1 4.087 0.000 . 1 . . . . . 115 ALA HA . 50772 1 858 . 1 . 1 82 82 ALA HB1 H 1 1.483 0.000 . 1 . . . . . 115 ALA HB1 . 50772 1 859 . 1 . 1 82 82 ALA HB2 H 1 1.483 0.000 . 1 . . . . . 115 ALA HB2 . 50772 1 860 . 1 . 1 82 82 ALA HB3 H 1 1.483 0.000 . 1 . . . . . 115 ALA HB3 . 50772 1 861 . 1 . 1 82 82 ALA C C 13 177.606 0.000 . 1 . . . . . 115 ALA C . 50772 1 862 . 1 . 1 82 82 ALA CA C 13 53.527 0.083 . 1 . . . . . 115 ALA CA . 50772 1 863 . 1 . 1 82 82 ALA CB C 13 19.811 0.088 . 1 . . . . . 115 ALA CB . 50772 1 864 . 1 . 1 82 82 ALA N N 15 123.930 0.120 . 1 . . . . . 115 ALA N . 50772 1 865 . 1 . 1 83 83 VAL H H 1 8.329 0.003 . 1 . . . . . 116 VAL H . 50772 1 866 . 1 . 1 83 83 VAL HA H 1 4.053 0.000 . 1 . . . . . 116 VAL HA . 50772 1 867 . 1 . 1 83 83 VAL HB H 1 2.003 0.000 . 1 . . . . . 116 VAL HB . 50772 1 868 . 1 . 1 83 83 VAL HG11 H 1 0.992 0.000 . 2 . . . . . 116 VAL HG11 . 50772 1 869 . 1 . 1 83 83 VAL HG12 H 1 0.992 0.000 . 2 . . . . . 116 VAL HG12 . 50772 1 870 . 1 . 1 83 83 VAL HG13 H 1 0.992 0.000 . 2 . . . . . 116 VAL HG13 . 50772 1 871 . 1 . 1 83 83 VAL HG21 H 1 1.117 0.000 . 2 . . . . . 116 VAL HG21 . 50772 1 872 . 1 . 1 83 83 VAL HG22 H 1 1.117 0.000 . 2 . . . . . 116 VAL HG22 . 50772 1 873 . 1 . 1 83 83 VAL HG23 H 1 1.117 0.000 . 2 . . . . . 116 VAL HG23 . 50772 1 874 . 1 . 1 83 83 VAL C C 13 176.488 0.000 . 1 . . . . . 116 VAL C . 50772 1 875 . 1 . 1 83 83 VAL CA C 13 63.390 0.054 . 1 . . . . . 116 VAL CA . 50772 1 876 . 1 . 1 83 83 VAL CB C 13 32.066 0.053 . 1 . . . . . 116 VAL CB . 50772 1 877 . 1 . 1 83 83 VAL CG1 C 13 21.308 0.000 . 2 . . . . . 116 VAL CG1 . 50772 1 878 . 1 . 1 83 83 VAL CG2 C 13 21.296 0.000 . 2 . . . . . 116 VAL CG2 . 50772 1 879 . 1 . 1 83 83 VAL N N 15 122.735 0.019 . 1 . . . . . 116 VAL N . 50772 1 880 . 1 . 1 84 84 LYS H H 1 8.743 0.016 . 1 . . . . . 117 LYS H . 50772 1 881 . 1 . 1 84 84 LYS HA H 1 4.300 0.000 . 1 . . . . . 117 LYS HA . 50772 1 882 . 1 . 1 84 84 LYS HB2 H 1 1.787 0.000 . 2 . . . . . 117 LYS HB2 . 50772 1 883 . 1 . 1 84 84 LYS HB3 H 1 1.436 0.000 . 2 . . . . . 117 LYS HB3 . 50772 1 884 . 1 . 1 84 84 LYS HG2 H 1 1.486 0.000 . 2 . . . . . 117 LYS HG2 . 50772 1 885 . 1 . 1 84 84 LYS HG3 H 1 1.407 0.000 . 2 . . . . . 117 LYS HG3 . 50772 1 886 . 1 . 1 84 84 LYS HD2 H 1 1.569 0.000 . 2 . . . . . 117 LYS HD2 . 50772 1 887 . 1 . 1 84 84 LYS HD3 H 1 1.483 0.000 . 2 . . . . . 117 LYS HD3 . 50772 1 888 . 1 . 1 84 84 LYS HE2 H 1 2.956 0.000 . 1 . . . . . 117 LYS HE2 . 50772 1 889 . 1 . 1 84 84 LYS C C 13 174.196 0.000 . 1 . . . . . 117 LYS C . 50772 1 890 . 1 . 1 84 84 LYS CA C 13 56.686 0.008 . 1 . . . . . 117 LYS CA . 50772 1 891 . 1 . 1 84 84 LYS CB C 13 35.351 0.092 . 1 . . . . . 117 LYS CB . 50772 1 892 . 1 . 1 84 84 LYS CG C 13 25.396 0.009 . 1 . . . . . 117 LYS CG . 50772 1 893 . 1 . 1 84 84 LYS CD C 13 30.272 0.009 . 1 . . . . . 117 LYS CD . 50772 1 894 . 1 . 1 84 84 LYS CE C 13 42.337 0.000 . 1 . . . . . 117 LYS CE . 50772 1 895 . 1 . 1 84 84 LYS N N 15 129.330 0.216 . 1 . . . . . 117 LYS N . 50772 1 896 . 1 . 1 85 85 ASP H H 1 8.594 0.001 . 1 . . . . . 118 ASP H . 50772 1 897 . 1 . 1 85 85 ASP HA H 1 4.501 0.000 . 1 . . . . . 118 ASP HA . 50772 1 898 . 1 . 1 85 85 ASP HB2 H 1 2.715 0.000 . 1 . . . . . 118 ASP HB2 . 50772 1 899 . 1 . 1 85 85 ASP C C 13 176.959 0.000 . 1 . . . . . 118 ASP C . 50772 1 900 . 1 . 1 85 85 ASP CA C 13 56.700 0.046 . 1 . . . . . 118 ASP CA . 50772 1 901 . 1 . 1 85 85 ASP CB C 13 41.389 0.084 . 1 . . . . . 118 ASP CB . 50772 1 902 . 1 . 1 85 85 ASP N N 15 125.995 0.026 . 1 . . . . . 118 ASP N . 50772 1 903 . 1 . 1 86 86 GLY H H 1 8.964 0.002 . 1 . . . . . 119 GLY H . 50772 1 904 . 1 . 1 86 86 GLY HA2 H 1 3.484 0.000 . 2 . . . . . 119 GLY HA2 . 50772 1 905 . 1 . 1 86 86 GLY HA3 H 1 4.181 0.000 . 2 . . . . . 119 GLY HA3 . 50772 1 906 . 1 . 1 86 86 GLY C C 13 171.884 0.000 . 1 . . . . . 119 GLY C . 50772 1 907 . 1 . 1 86 86 GLY CA C 13 45.688 0.069 . 1 . . . . . 119 GLY CA . 50772 1 908 . 1 . 1 86 86 GLY N N 15 112.691 0.044 . 1 . . . . . 119 GLY N . 50772 1 909 . 1 . 1 87 87 ILE H H 1 7.844 0.002 . 1 . . . . . 120 ILE H . 50772 1 910 . 1 . 1 87 87 ILE HA H 1 5.429 0.000 . 1 . . . . . 120 ILE HA . 50772 1 911 . 1 . 1 87 87 ILE HB H 1 2.188 0.000 . 1 . . . . . 120 ILE HB . 50772 1 912 . 1 . 1 87 87 ILE HG12 H 1 1.334 0.000 . 2 . . . . . 120 ILE HG12 . 50772 1 913 . 1 . 1 87 87 ILE HG13 H 1 0.952 0.000 . 2 . . . . . 120 ILE HG13 . 50772 1 914 . 1 . 1 87 87 ILE HG21 H 1 0.191 0.000 . 1 . . . . . 120 ILE HG21 . 50772 1 915 . 1 . 1 87 87 ILE HG22 H 1 0.191 0.000 . 1 . . . . . 120 ILE HG22 . 50772 1 916 . 1 . 1 87 87 ILE HG23 H 1 0.191 0.000 . 1 . . . . . 120 ILE HG23 . 50772 1 917 . 1 . 1 87 87 ILE HD11 H 1 0.662 0.000 . 1 . . . . . 120 ILE HD11 . 50772 1 918 . 1 . 1 87 87 ILE HD12 H 1 0.662 0.000 . 1 . . . . . 120 ILE HD12 . 50772 1 919 . 1 . 1 87 87 ILE HD13 H 1 0.662 0.000 . 1 . . . . . 120 ILE HD13 . 50772 1 920 . 1 . 1 87 87 ILE C C 13 176.606 0.000 . 1 . . . . . 120 ILE C . 50772 1 921 . 1 . 1 87 87 ILE CA C 13 58.167 0.020 . 1 . . . . . 120 ILE CA . 50772 1 922 . 1 . 1 87 87 ILE CB C 13 37.659 0.036 . 1 . . . . . 120 ILE CB . 50772 1 923 . 1 . 1 87 87 ILE CG1 C 13 26.941 0.000 . 1 . . . . . 120 ILE CG1 . 50772 1 924 . 1 . 1 87 87 ILE CG2 C 13 17.161 0.000 . 1 . . . . . 120 ILE CG2 . 50772 1 925 . 1 . 1 87 87 ILE CD1 C 13 11.759 0.000 . 1 . . . . . 120 ILE CD1 . 50772 1 926 . 1 . 1 87 87 ILE N N 15 117.973 0.019 . 1 . . . . . 120 ILE N . 50772 1 927 . 1 . 1 88 88 VAL H H 1 9.395 0.010 . 1 . . . . . 121 VAL H . 50772 1 928 . 1 . 1 88 88 VAL HA H 1 4.656 0.000 . 1 . . . . . 121 VAL HA . 50772 1 929 . 1 . 1 88 88 VAL HB H 1 2.142 0.000 . 1 . . . . . 121 VAL HB . 50772 1 930 . 1 . 1 88 88 VAL HG11 H 1 1.080 0.000 . 2 . . . . . 121 VAL HG11 . 50772 1 931 . 1 . 1 88 88 VAL HG12 H 1 1.080 0.000 . 2 . . . . . 121 VAL HG12 . 50772 1 932 . 1 . 1 88 88 VAL HG13 H 1 1.080 0.000 . 2 . . . . . 121 VAL HG13 . 50772 1 933 . 1 . 1 88 88 VAL HG21 H 1 1.019 0.001 . 2 . . . . . 121 VAL HG21 . 50772 1 934 . 1 . 1 88 88 VAL HG22 H 1 1.019 0.001 . 2 . . . . . 121 VAL HG22 . 50772 1 935 . 1 . 1 88 88 VAL HG23 H 1 1.019 0.001 . 2 . . . . . 121 VAL HG23 . 50772 1 936 . 1 . 1 88 88 VAL C C 13 175.249 0.000 . 1 . . . . . 121 VAL C . 50772 1 937 . 1 . 1 88 88 VAL CA C 13 61.196 0.103 . 1 . . . . . 121 VAL CA . 50772 1 938 . 1 . 1 88 88 VAL CB C 13 35.504 0.108 . 1 . . . . . 121 VAL CB . 50772 1 939 . 1 . 1 88 88 VAL CG1 C 13 22.187 0.000 . 2 . . . . . 121 VAL CG1 . 50772 1 940 . 1 . 1 88 88 VAL CG2 C 13 20.679 0.000 . 2 . . . . . 121 VAL CG2 . 50772 1 941 . 1 . 1 88 88 VAL N N 15 129.040 0.109 . 1 . . . . . 121 VAL N . 50772 1 942 . 1 . 1 89 89 TRP H H 1 8.920 0.005 . 1 . . . . . 122 TRP H . 50772 1 943 . 1 . 1 89 89 TRP HA H 1 5.180 0.006 . 1 . . . . . 122 TRP HA . 50772 1 944 . 1 . 1 89 89 TRP HB2 H 1 3.075 0.015 . 1 . . . . . 122 TRP HB2 . 50772 1 945 . 1 . 1 89 89 TRP HB3 H 1 3.075 0.015 . 1 . . . . . 122 TRP HB3 . 50772 1 946 . 1 . 1 89 89 TRP HD1 H 1 7.170 0.009 . 1 . . . . . 122 TRP HD1 . 50772 1 947 . 1 . 1 89 89 TRP HE1 H 1 10.897 0.001 . 1 . . . . . 122 TRP HE1 . 50772 1 948 . 1 . 1 89 89 TRP HE3 H 1 7.295 0.003 . 1 . . . . . 122 TRP HE3 . 50772 1 949 . 1 . 1 89 89 TRP HZ2 H 1 7.707 0.000 . 1 . . . . . 122 TRP HZ2 . 50772 1 950 . 1 . 1 89 89 TRP HZ3 H 1 6.965 0.010 . 1 . . . . . 122 TRP HZ3 . 50772 1 951 . 1 . 1 89 89 TRP HH2 H 1 7.389 0.012 . 1 . . . . . 122 TRP HH2 . 50772 1 952 . 1 . 1 89 89 TRP C C 13 176.836 0.000 . 1 . . . . . 122 TRP C . 50772 1 953 . 1 . 1 89 89 TRP CA C 13 57.976 0.076 . 1 . . . . . 122 TRP CA . 50772 1 954 . 1 . 1 89 89 TRP CB C 13 30.269 0.009 . 1 . . . . . 122 TRP CB . 50772 1 955 . 1 . 1 89 89 TRP CD1 C 13 127.421 0.004 . 1 . . . . . 122 TRP CD1 . 50772 1 956 . 1 . 1 89 89 TRP CE3 C 13 120.057 0.018 . 1 . . . . . 122 TRP CE3 . 50772 1 957 . 1 . 1 89 89 TRP CZ2 C 13 113.079 0.000 . 1 . . . . . 122 TRP CZ2 . 50772 1 958 . 1 . 1 89 89 TRP CZ3 C 13 122.980 0.042 . 1 . . . . . 122 TRP CZ3 . 50772 1 959 . 1 . 1 89 89 TRP CH2 C 13 123.686 0.000 . 1 . . . . . 122 TRP CH2 . 50772 1 960 . 1 . 1 89 89 TRP N N 15 128.271 0.050 . 1 . . . . . 122 TRP N . 50772 1 961 . 1 . 1 89 89 TRP NE1 N 15 133.081 0.030 . 1 . . . . . 122 TRP NE1 . 50772 1 962 . 1 . 1 90 90 VAL H H 1 9.813 0.005 . 1 . . . . . 123 VAL H . 50772 1 963 . 1 . 1 90 90 VAL HA H 1 5.172 0.000 . 1 . . . . . 123 VAL HA . 50772 1 964 . 1 . 1 90 90 VAL HB H 1 2.129 0.000 . 1 . . . . . 123 VAL HB . 50772 1 965 . 1 . 1 90 90 VAL HG11 H 1 1.032 0.000 . 2 . . . . . 123 VAL HG11 . 50772 1 966 . 1 . 1 90 90 VAL HG12 H 1 1.032 0.000 . 2 . . . . . 123 VAL HG12 . 50772 1 967 . 1 . 1 90 90 VAL HG13 H 1 1.032 0.000 . 2 . . . . . 123 VAL HG13 . 50772 1 968 . 1 . 1 90 90 VAL HG21 H 1 1.147 0.000 . 2 . . . . . 123 VAL HG21 . 50772 1 969 . 1 . 1 90 90 VAL HG22 H 1 1.147 0.000 . 2 . . . . . 123 VAL HG22 . 50772 1 970 . 1 . 1 90 90 VAL HG23 H 1 1.147 0.000 . 2 . . . . . 123 VAL HG23 . 50772 1 971 . 1 . 1 90 90 VAL C C 13 174.729 0.000 . 1 . . . . . 123 VAL C . 50772 1 972 . 1 . 1 90 90 VAL CA C 13 59.123 0.187 . 1 . . . . . 123 VAL CA . 50772 1 973 . 1 . 1 90 90 VAL CB C 13 35.985 0.013 . 1 . . . . . 123 VAL CB . 50772 1 974 . 1 . 1 90 90 VAL CG1 C 13 20.326 0.000 . 2 . . . . . 123 VAL CG1 . 50772 1 975 . 1 . 1 90 90 VAL CG2 C 13 25.219 0.000 . 2 . . . . . 123 VAL CG2 . 50772 1 976 . 1 . 1 90 90 VAL N N 15 116.074 0.038 . 1 . . . . . 123 VAL N . 50772 1 977 . 1 . 1 91 91 HIS H H 1 8.866 0.005 . 1 . . . . . 124 HIS H . 50772 1 978 . 1 . 1 91 91 HIS HA H 1 5.139 0.019 . 1 . . . . . 124 HIS HA . 50772 1 979 . 1 . 1 91 91 HIS HB2 H 1 3.232 0.000 . 2 . . . . . 124 HIS HB2 . 50772 1 980 . 1 . 1 91 91 HIS HB3 H 1 3.772 0.004 . 2 . . . . . 124 HIS HB3 . 50772 1 981 . 1 . 1 91 91 HIS HD2 H 1 6.754 0.010 . 1 . . . . . 124 HIS HD2 . 50772 1 982 . 1 . 1 91 91 HIS C C 13 172.922 0.000 . 1 . . . . . 124 HIS C . 50772 1 983 . 1 . 1 91 91 HIS CA C 13 55.575 0.009 . 1 . . . . . 124 HIS CA . 50772 1 984 . 1 . 1 91 91 HIS CB C 13 31.076 0.136 . 1 . . . . . 124 HIS CB . 50772 1 985 . 1 . 1 91 91 HIS CD2 C 13 119.506 0.024 . 1 . . . . . 124 HIS CD2 . 50772 1 986 . 1 . 1 91 91 HIS N N 15 115.870 0.084 . 1 . . . . . 124 HIS N . 50772 1 987 . 1 . 1 92 92 GLU H H 1 7.917 0.003 . 1 . . . . . 125 GLU H . 50772 1 988 . 1 . 1 92 92 GLU HA H 1 4.386 0.000 . 1 . . . . . 125 GLU HA . 50772 1 989 . 1 . 1 92 92 GLU HB2 H 1 2.295 0.000 . 2 . . . . . 125 GLU HB2 . 50772 1 990 . 1 . 1 92 92 GLU HB3 H 1 2.356 0.000 . 2 . . . . . 125 GLU HB3 . 50772 1 991 . 1 . 1 92 92 GLU HG2 H 1 2.077 0.006 . 2 . . . . . 125 GLU HG2 . 50772 1 992 . 1 . 1 92 92 GLU HG3 H 1 2.152 0.000 . 2 . . . . . 125 GLU HG3 . 50772 1 993 . 1 . 1 92 92 GLU C C 13 177.380 0.000 . 1 . . . . . 125 GLU C . 50772 1 994 . 1 . 1 92 92 GLU CA C 13 55.469 0.067 . 1 . . . . . 125 GLU CA . 50772 1 995 . 1 . 1 92 92 GLU CB C 13 31.334 0.004 . 1 . . . . . 125 GLU CB . 50772 1 996 . 1 . 1 92 92 GLU CG C 13 35.220 0.000 . 1 . . . . . 125 GLU CG . 50772 1 997 . 1 . 1 92 92 GLU N N 15 120.350 0.026 . 1 . . . . . 125 GLU N . 50772 1 998 . 1 . 1 93 93 ASP H H 1 8.949 0.003 . 1 . . . . . 126 ASP H . 50772 1 999 . 1 . 1 93 93 ASP HA H 1 4.485 0.000 . 1 . . . . . 126 ASP HA . 50772 1 1000 . 1 . 1 93 93 ASP HB2 H 1 2.671 0.000 . 1 . . . . . 126 ASP HB2 . 50772 1 1001 . 1 . 1 93 93 ASP HB3 H 1 2.671 0.000 . 1 . . . . . 126 ASP HB3 . 50772 1 1002 . 1 . 1 93 93 ASP C C 13 176.908 0.000 . 1 . . . . . 126 ASP C . 50772 1 1003 . 1 . 1 93 93 ASP CA C 13 57.070 0.054 . 1 . . . . . 126 ASP CA . 50772 1 1004 . 1 . 1 93 93 ASP CB C 13 40.483 0.082 . 1 . . . . . 126 ASP CB . 50772 1 1005 . 1 . 1 93 93 ASP N N 15 124.160 0.027 . 1 . . . . . 126 ASP N . 50772 1 1006 . 1 . 1 94 94 GLY H H 1 8.702 0.002 . 1 . . . . . 127 GLY H . 50772 1 1007 . 1 . 1 94 94 GLY HA2 H 1 3.680 0.000 . 2 . . . . . 127 GLY HA2 . 50772 1 1008 . 1 . 1 94 94 GLY HA3 H 1 4.164 0.000 . 2 . . . . . 127 GLY HA3 . 50772 1 1009 . 1 . 1 94 94 GLY C C 13 174.307 0.000 . 1 . . . . . 127 GLY C . 50772 1 1010 . 1 . 1 94 94 GLY CA C 13 44.652 0.042 . 1 . . . . . 127 GLY CA . 50772 1 1011 . 1 . 1 94 94 GLY N N 15 112.458 0.035 . 1 . . . . . 127 GLY N . 50772 1 1012 . 1 . 1 95 95 ALA H H 1 7.987 0.016 . 1 . . . . . 128 ALA H . 50772 1 1013 . 1 . 1 95 95 ALA HA H 1 4.679 0.000 . 1 . . . . . 128 ALA HA . 50772 1 1014 . 1 . 1 95 95 ALA HB1 H 1 1.547 0.000 . 1 . . . . . 128 ALA HB1 . 50772 1 1015 . 1 . 1 95 95 ALA HB2 H 1 1.547 0.000 . 1 . . . . . 128 ALA HB2 . 50772 1 1016 . 1 . 1 95 95 ALA HB3 H 1 1.547 0.000 . 1 . . . . . 128 ALA HB3 . 50772 1 1017 . 1 . 1 95 95 ALA C C 13 178.631 0.000 . 1 . . . . . 128 ALA C . 50772 1 1018 . 1 . 1 95 95 ALA CA C 13 52.804 0.078 . 1 . . . . . 128 ALA CA . 50772 1 1019 . 1 . 1 95 95 ALA CB C 13 20.630 0.072 . 1 . . . . . 128 ALA CB . 50772 1 1020 . 1 . 1 95 95 ALA N N 15 123.429 0.116 . 1 . . . . . 128 ALA N . 50772 1 1021 . 1 . 1 96 96 THR H H 1 8.219 0.010 . 1 . . . . . 129 THR H . 50772 1 1022 . 1 . 1 96 96 THR HA H 1 4.546 0.000 . 1 . . . . . 129 THR HA . 50772 1 1023 . 1 . 1 96 96 THR HB H 1 4.438 0.000 . 1 . . . . . 129 THR HB . 50772 1 1024 . 1 . 1 96 96 THR HG21 H 1 1.255 0.000 . 1 . . . . . 129 THR HG21 . 50772 1 1025 . 1 . 1 96 96 THR HG22 H 1 1.255 0.000 . 1 . . . . . 129 THR HG22 . 50772 1 1026 . 1 . 1 96 96 THR HG23 H 1 1.255 0.000 . 1 . . . . . 129 THR HG23 . 50772 1 1027 . 1 . 1 96 96 THR C C 13 173.410 0.000 . 1 . . . . . 129 THR C . 50772 1 1028 . 1 . 1 96 96 THR CA C 13 60.161 0.044 . 1 . . . . . 129 THR CA . 50772 1 1029 . 1 . 1 96 96 THR CB C 13 70.549 0.076 . 1 . . . . . 129 THR CB . 50772 1 1030 . 1 . 1 96 96 THR CG2 C 13 21.029 0.000 . 1 . . . . . 129 THR CG2 . 50772 1 1031 . 1 . 1 96 96 THR N N 15 112.650 0.055 . 1 . . . . . 129 THR N . 50772 1 1032 . 1 . 1 97 97 ASP H H 1 8.147 0.006 . 1 . . . . . 130 ASP H . 50772 1 1033 . 1 . 1 97 97 ASP HA H 1 3.651 0.000 . 1 . . . . . 130 ASP HA . 50772 1 1034 . 1 . 1 97 97 ASP HB2 H 1 2.700 0.000 . 2 . . . . . 130 ASP HB2 . 50772 1 1035 . 1 . 1 97 97 ASP HB3 H 1 2.288 0.000 . 2 . . . . . 130 ASP HB3 . 50772 1 1036 . 1 . 1 97 97 ASP C C 13 174.866 0.000 . 1 . . . . . 130 ASP C . 50772 1 1037 . 1 . 1 97 97 ASP CA C 13 52.857 0.045 . 1 . . . . . 130 ASP CA . 50772 1 1038 . 1 . 1 97 97 ASP CB C 13 40.218 0.033 . 1 . . . . . 130 ASP CB . 50772 1 1039 . 1 . 1 97 97 ASP N N 15 118.458 0.064 . 1 . . . . . 130 ASP N . 50772 1 1040 . 1 . 1 98 98 ALA H H 1 7.417 0.002 . 1 . . . . . 131 ALA H . 50772 1 1041 . 1 . 1 98 98 ALA HA H 1 4.398 0.000 . 1 . . . . . 131 ALA HA . 50772 1 1042 . 1 . 1 98 98 ALA HB1 H 1 1.290 0.000 . 1 . . . . . 131 ALA HB1 . 50772 1 1043 . 1 . 1 98 98 ALA HB2 H 1 1.290 0.000 . 1 . . . . . 131 ALA HB2 . 50772 1 1044 . 1 . 1 98 98 ALA HB3 H 1 1.290 0.000 . 1 . . . . . 131 ALA HB3 . 50772 1 1045 . 1 . 1 98 98 ALA CA C 13 51.111 0.068 . 1 . . . . . 131 ALA CA . 50772 1 1046 . 1 . 1 98 98 ALA CB C 13 18.164 0.003 . 1 . . . . . 131 ALA CB . 50772 1 1047 . 1 . 1 98 98 ALA N N 15 122.579 0.012 . 1 . . . . . 131 ALA N . 50772 1 1048 . 1 . 1 99 99 PRO HA H 1 4.062 0.000 . 1 . . . . . 132 PRO HA . 50772 1 1049 . 1 . 1 99 99 PRO HB2 H 1 2.411 0.000 . 2 . . . . . 132 PRO HB2 . 50772 1 1050 . 1 . 1 99 99 PRO HB3 H 1 1.990 0.000 . 2 . . . . . 132 PRO HB3 . 50772 1 1051 . 1 . 1 99 99 PRO HG2 H 1 2.021 0.000 . 2 . . . . . 132 PRO HG2 . 50772 1 1052 . 1 . 1 99 99 PRO HG3 H 1 2.151 0.000 . 2 . . . . . 132 PRO HG3 . 50772 1 1053 . 1 . 1 99 99 PRO C C 13 176.523 0.000 . 1 . . . . . 132 PRO C . 50772 1 1054 . 1 . 1 99 99 PRO CA C 13 62.758 0.077 . 1 . . . . . 132 PRO CA . 50772 1 1055 . 1 . 1 99 99 PRO CB C 13 32.098 0.028 . 1 . . . . . 132 PRO CB . 50772 1 1056 . 1 . 1 99 99 PRO CG C 13 27.639 0.016 . 1 . . . . . 132 PRO CG . 50772 1 1057 . 1 . 1 100 100 SER H H 1 8.558 0.007 . 1 . . . . . 133 SER H . 50772 1 1058 . 1 . 1 100 100 SER HA H 1 4.247 0.000 . 1 . . . . . 133 SER HA . 50772 1 1059 . 1 . 1 100 100 SER HB2 H 1 3.696 0.000 . 1 . . . . . 133 SER HB2 . 50772 1 1060 . 1 . 1 100 100 SER HB3 H 1 3.696 0.000 . 1 . . . . . 133 SER HB3 . 50772 1 1061 . 1 . 1 100 100 SER C C 13 176.968 0.000 . 1 . . . . . 133 SER C . 50772 1 1062 . 1 . 1 100 100 SER CA C 13 57.915 0.015 . 1 . . . . . 133 SER CA . 50772 1 1063 . 1 . 1 100 100 SER CB C 13 65.885 0.023 . 1 . . . . . 133 SER CB . 50772 1 1064 . 1 . 1 100 100 SER N N 15 115.391 0.108 . 1 . . . . . 133 SER N . 50772 1 1065 . 1 . 1 101 101 THR H H 1 8.552 0.004 . 1 . . . . . 134 THR H . 50772 1 1066 . 1 . 1 101 101 THR HA H 1 4.506 0.000 . 1 . . . . . 134 THR HA . 50772 1 1067 . 1 . 1 101 101 THR HB H 1 4.471 0.000 . 1 . . . . . 134 THR HB . 50772 1 1068 . 1 . 1 101 101 THR HG21 H 1 1.181 0.000 . 1 . . . . . 134 THR HG21 . 50772 1 1069 . 1 . 1 101 101 THR HG22 H 1 1.181 0.000 . 1 . . . . . 134 THR HG22 . 50772 1 1070 . 1 . 1 101 101 THR HG23 H 1 1.181 0.000 . 1 . . . . . 134 THR HG23 . 50772 1 1071 . 1 . 1 101 101 THR C C 13 176.293 0.000 . 1 . . . . . 134 THR C . 50772 1 1072 . 1 . 1 101 101 THR CA C 13 61.776 0.040 . 1 . . . . . 134 THR CA . 50772 1 1073 . 1 . 1 101 101 THR CB C 13 68.868 0.075 . 1 . . . . . 134 THR CB . 50772 1 1074 . 1 . 1 101 101 THR CG2 C 13 21.461 0.000 . 1 . . . . . 134 THR CG2 . 50772 1 1075 . 1 . 1 101 101 THR N N 15 116.386 0.054 . 1 . . . . . 134 THR N . 50772 1 1076 . 1 . 1 102 102 PHE H H 1 8.472 0.004 . 1 . . . . . 135 PHE H . 50772 1 1077 . 1 . 1 102 102 PHE HA H 1 4.556 0.002 . 1 . . . . . 135 PHE HA . 50772 1 1078 . 1 . 1 102 102 PHE HB2 H 1 2.960 0.000 . 2 . . . . . 135 PHE HB2 . 50772 1 1079 . 1 . 1 102 102 PHE HB3 H 1 2.710 0.000 . 2 . . . . . 135 PHE HB3 . 50772 1 1080 . 1 . 1 102 102 PHE HD1 H 1 6.196 0.024 . 1 . . . . . 135 PHE HD1 . 50772 1 1081 . 1 . 1 102 102 PHE HD2 H 1 6.196 0.024 . 1 . . . . . 135 PHE HD2 . 50772 1 1082 . 1 . 1 102 102 PHE HE1 H 1 6.954 0.018 . 1 . . . . . 135 PHE HE1 . 50772 1 1083 . 1 . 1 102 102 PHE HE2 H 1 6.954 0.018 . 1 . . . . . 135 PHE HE2 . 50772 1 1084 . 1 . 1 102 102 PHE C C 13 178.001 0.000 . 1 . . . . . 135 PHE C . 50772 1 1085 . 1 . 1 102 102 PHE CA C 13 57.639 0.047 . 1 . . . . . 135 PHE CA . 50772 1 1086 . 1 . 1 102 102 PHE CB C 13 38.795 0.017 . 1 . . . . . 135 PHE CB . 50772 1 1087 . 1 . 1 102 102 PHE CD1 C 13 130.122 0.000 . 1 . . . . . 135 PHE CD1 . 50772 1 1088 . 1 . 1 102 102 PHE CD2 C 13 130.122 0.000 . 1 . . . . . 135 PHE CD2 . 50772 1 1089 . 1 . 1 102 102 PHE CE1 C 13 132.452 0.000 . 1 . . . . . 135 PHE CE1 . 50772 1 1090 . 1 . 1 102 102 PHE CE2 C 13 132.452 0.000 . 1 . . . . . 135 PHE CE2 . 50772 1 1091 . 1 . 1 102 102 PHE N N 15 120.530 0.048 . 1 . . . . . 135 PHE N . 50772 1 1092 . 1 . 1 103 103 GLY H H 1 8.168 0.008 . 1 . . . . . 136 GLY H . 50772 1 1093 . 1 . 1 103 103 GLY HA2 H 1 4.146 0.000 . 2 . . . . . 136 GLY HA2 . 50772 1 1094 . 1 . 1 103 103 GLY HA3 H 1 4.367 0.000 . 2 . . . . . 136 GLY HA3 . 50772 1 1095 . 1 . 1 103 103 GLY C C 13 173.090 0.000 . 1 . . . . . 136 GLY C . 50772 1 1096 . 1 . 1 103 103 GLY CA C 13 45.606 0.010 . 1 . . . . . 136 GLY CA . 50772 1 1097 . 1 . 1 103 103 GLY N N 15 106.905 0.045 . 1 . . . . . 136 GLY N . 50772 1 1098 . 1 . 1 104 104 THR H H 1 8.200 0.003 . 1 . . . . . 137 THR H . 50772 1 1099 . 1 . 1 104 104 THR HA H 1 4.518 0.000 . 1 . . . . . 137 THR HA . 50772 1 1100 . 1 . 1 104 104 THR HB H 1 4.780 0.000 . 1 . . . . . 137 THR HB . 50772 1 1101 . 1 . 1 104 104 THR C C 13 172.200 0.000 . 1 . . . . . 137 THR C . 50772 1 1102 . 1 . 1 104 104 THR CA C 13 60.273 0.034 . 1 . . . . . 137 THR CA . 50772 1 1103 . 1 . 1 104 104 THR CB C 13 69.369 0.043 . 1 . . . . . 137 THR CB . 50772 1 1104 . 1 . 1 104 104 THR N N 15 110.851 0.010 . 1 . . . . . 137 THR N . 50772 1 1105 . 1 . 1 105 105 ARG H H 1 7.187 0.009 . 1 . . . . . 138 ARG H . 50772 1 1106 . 1 . 1 105 105 ARG HA H 1 2.700 0.003 . 1 . . . . . 138 ARG HA . 50772 1 1107 . 1 . 1 105 105 ARG HB2 H 1 -0.155 0.000 . 2 . . . . . 138 ARG HB2 . 50772 1 1108 . 1 . 1 105 105 ARG HB3 H 1 0.810 0.000 . 2 . . . . . 138 ARG HB3 . 50772 1 1109 . 1 . 1 105 105 ARG HG2 H 1 0.659 0.022 . 2 . . . . . 138 ARG HG2 . 50772 1 1110 . 1 . 1 105 105 ARG HG3 H 1 0.209 0.000 . 2 . . . . . 138 ARG HG3 . 50772 1 1111 . 1 . 1 105 105 ARG HD2 H 1 2.793 0.042 . 1 . . . . . 138 ARG HD2 . 50772 1 1112 . 1 . 1 105 105 ARG HD3 H 1 2.820 0.019 . 1 . . . . . 138 ARG HD3 . 50772 1 1113 . 1 . 1 105 105 ARG C C 13 174.456 0.000 . 1 . . . . . 138 ARG C . 50772 1 1114 . 1 . 1 105 105 ARG CA C 13 55.497 0.035 . 1 . . . . . 138 ARG CA . 50772 1 1115 . 1 . 1 105 105 ARG CB C 13 32.568 0.018 . 1 . . . . . 138 ARG CB . 50772 1 1116 . 1 . 1 105 105 ARG CG C 13 28.022 0.013 . 1 . . . . . 138 ARG CG . 50772 1 1117 . 1 . 1 105 105 ARG CD C 13 43.621 0.000 . 1 . . . . . 138 ARG CD . 50772 1 1118 . 1 . 1 105 105 ARG N N 15 120.280 0.062 . 1 . . . . . 138 ARG N . 50772 1 1119 . 1 . 1 106 106 ASN H H 1 9.079 0.008 . 1 . . . . . 139 ASN H . 50772 1 1120 . 1 . 1 106 106 ASN HA H 1 5.046 0.000 . 1 . . . . . 139 ASN HA . 50772 1 1121 . 1 . 1 106 106 ASN HB2 H 1 3.245 0.001 . 2 . . . . . 139 ASN HB2 . 50772 1 1122 . 1 . 1 106 106 ASN HB3 H 1 2.761 0.024 . 2 . . . . . 139 ASN HB3 . 50772 1 1123 . 1 . 1 106 106 ASN HD21 H 1 7.761 0.023 . 1 . . . . . 139 ASN HD21 . 50772 1 1124 . 1 . 1 106 106 ASN HD22 H 1 7.166 0.008 . 1 . . . . . 139 ASN HD22 . 50772 1 1125 . 1 . 1 106 106 ASN CA C 13 49.388 0.187 . 1 . . . . . 139 ASN CA . 50772 1 1126 . 1 . 1 106 106 ASN CB C 13 38.412 0.006 . 1 . . . . . 139 ASN CB . 50772 1 1127 . 1 . 1 106 106 ASN N N 15 125.047 0.053 . 1 . . . . . 139 ASN N . 50772 1 1128 . 1 . 1 106 106 ASN ND2 N 15 112.353 0.013 . 1 . . . . . 139 ASN ND2 . 50772 1 1129 . 1 . 1 107 107 PRO HA H 1 4.463 0.000 . 1 . . . . . 140 PRO HA . 50772 1 1130 . 1 . 1 107 107 PRO HB2 H 1 2.022 0.000 . 2 . . . . . 140 PRO HB2 . 50772 1 1131 . 1 . 1 107 107 PRO HB3 H 1 2.424 0.000 . 2 . . . . . 140 PRO HB3 . 50772 1 1132 . 1 . 1 107 107 PRO HG2 H 1 2.074 0.000 . 2 . . . . . 140 PRO HG2 . 50772 1 1133 . 1 . 1 107 107 PRO HG3 H 1 2.103 0.000 . 2 . . . . . 140 PRO HG3 . 50772 1 1134 . 1 . 1 107 107 PRO HD2 H 1 3.798 0.000 . 2 . . . . . 140 PRO HD2 . 50772 1 1135 . 1 . 1 107 107 PRO HD3 H 1 3.628 0.000 . 2 . . . . . 140 PRO HD3 . 50772 1 1136 . 1 . 1 107 107 PRO C C 13 176.829 0.000 . 1 . . . . . 140 PRO C . 50772 1 1137 . 1 . 1 107 107 PRO CA C 13 63.760 0.047 . 1 . . . . . 140 PRO CA . 50772 1 1138 . 1 . 1 107 107 PRO CB C 13 31.990 0.160 . 1 . . . . . 140 PRO CB . 50772 1 1139 . 1 . 1 107 107 PRO CG C 13 27.439 0.000 . 1 . . . . . 140 PRO CG . 50772 1 1140 . 1 . 1 107 107 PRO CD C 13 50.490 0.004 . 1 . . . . . 140 PRO CD . 50772 1 1141 . 1 . 1 108 108 ASN H H 1 8.014 0.003 . 1 . . . . . 141 ASN H . 50772 1 1142 . 1 . 1 108 108 ASN HA H 1 4.488 0.000 . 1 . . . . . 141 ASN HA . 50772 1 1143 . 1 . 1 108 108 ASN HB2 H 1 2.728 0.000 . 2 . . . . . 141 ASN HB2 . 50772 1 1144 . 1 . 1 108 108 ASN HB3 H 1 2.598 0.005 . 2 . . . . . 141 ASN HB3 . 50772 1 1145 . 1 . 1 108 108 ASN C C 13 174.923 0.000 . 1 . . . . . 141 ASN C . 50772 1 1146 . 1 . 1 108 108 ASN CA C 13 54.747 0.058 . 1 . . . . . 141 ASN CA . 50772 1 1147 . 1 . 1 108 108 ASN CB C 13 38.492 0.011 . 1 . . . . . 141 ASN CB . 50772 1 1148 . 1 . 1 108 108 ASN N N 15 115.688 0.015 . 1 . . . . . 141 ASN N . 50772 1 1149 . 1 . 1 109 109 ASN H H 1 7.618 0.002 . 1 . . . . . 142 ASN H . 50772 1 1150 . 1 . 1 109 109 ASN HA H 1 4.840 0.003 . 1 . . . . . 142 ASN HA . 50772 1 1151 . 1 . 1 109 109 ASN HB2 H 1 2.626 0.006 . 2 . . . . . 142 ASN HB2 . 50772 1 1152 . 1 . 1 109 109 ASN HB3 H 1 2.913 0.007 . 2 . . . . . 142 ASN HB3 . 50772 1 1153 . 1 . 1 109 109 ASN HD21 H 1 7.641 0.002 . 1 . . . . . 142 ASN HD21 . 50772 1 1154 . 1 . 1 109 109 ASN HD22 H 1 6.806 0.004 . 1 . . . . . 142 ASN HD22 . 50772 1 1155 . 1 . 1 109 109 ASN C C 13 174.101 0.000 . 1 . . . . . 142 ASN C . 50772 1 1156 . 1 . 1 109 109 ASN CA C 13 53.757 0.041 . 1 . . . . . 142 ASN CA . 50772 1 1157 . 1 . 1 109 109 ASN CB C 13 41.227 0.039 . 1 . . . . . 142 ASN CB . 50772 1 1158 . 1 . 1 109 109 ASN N N 15 115.571 0.049 . 1 . . . . . 142 ASN N . 50772 1 1159 . 1 . 1 109 109 ASN ND2 N 15 111.564 0.018 . 1 . . . . . 142 ASN ND2 . 50772 1 1160 . 1 . 1 110 110 ASP H H 1 7.929 0.009 . 1 . . . . . 143 ASP H . 50772 1 1161 . 1 . 1 110 110 ASP HA H 1 5.154 0.000 . 1 . . . . . 143 ASP HA . 50772 1 1162 . 1 . 1 110 110 ASP HB2 H 1 2.691 0.000 . 2 . . . . . 143 ASP HB2 . 50772 1 1163 . 1 . 1 110 110 ASP HB3 H 1 2.278 0.000 . 2 . . . . . 143 ASP HB3 . 50772 1 1164 . 1 . 1 110 110 ASP C C 13 175.452 0.000 . 1 . . . . . 143 ASP C . 50772 1 1165 . 1 . 1 110 110 ASP CA C 13 53.887 0.008 . 1 . . . . . 143 ASP CA . 50772 1 1166 . 1 . 1 110 110 ASP CB C 13 45.730 0.020 . 1 . . . . . 143 ASP CB . 50772 1 1167 . 1 . 1 110 110 ASP N N 15 117.822 0.011 . 1 . . . . . 143 ASP N . 50772 1 1168 . 1 . 1 111 111 SER H H 1 8.657 0.007 . 1 . . . . . 144 SER H . 50772 1 1169 . 1 . 1 111 111 SER HA H 1 4.417 0.000 . 1 . . . . . 144 SER HA . 50772 1 1170 . 1 . 1 111 111 SER HB2 H 1 3.949 0.000 . 2 . . . . . 144 SER HB2 . 50772 1 1171 . 1 . 1 111 111 SER HB3 H 1 3.845 0.000 . 2 . . . . . 144 SER HB3 . 50772 1 1172 . 1 . 1 111 111 SER C C 13 173.695 0.000 . 1 . . . . . 144 SER C . 50772 1 1173 . 1 . 1 111 111 SER CA C 13 58.126 0.012 . 1 . . . . . 144 SER CA . 50772 1 1174 . 1 . 1 111 111 SER CB C 13 64.170 0.039 . 1 . . . . . 144 SER CB . 50772 1 1175 . 1 . 1 111 111 SER N N 15 118.751 0.076 . 1 . . . . . 144 SER N . 50772 1 1176 . 1 . 1 112 112 ALA H H 1 8.512 0.003 . 1 . . . . . 145 ALA H . 50772 1 1177 . 1 . 1 112 112 ALA HA H 1 3.884 0.000 . 1 . . . . . 145 ALA HA . 50772 1 1178 . 1 . 1 112 112 ALA HB1 H 1 1.111 0.000 . 1 . . . . . 145 ALA HB1 . 50772 1 1179 . 1 . 1 112 112 ALA HB2 H 1 1.111 0.000 . 1 . . . . . 145 ALA HB2 . 50772 1 1180 . 1 . 1 112 112 ALA HB3 H 1 1.111 0.000 . 1 . . . . . 145 ALA HB3 . 50772 1 1181 . 1 . 1 112 112 ALA C C 13 177.393 0.000 . 1 . . . . . 145 ALA C . 50772 1 1182 . 1 . 1 112 112 ALA CA C 13 52.837 0.049 . 1 . . . . . 145 ALA CA . 50772 1 1183 . 1 . 1 112 112 ALA CB C 13 18.891 0.103 . 1 . . . . . 145 ALA CB . 50772 1 1184 . 1 . 1 112 112 ALA N N 15 124.358 0.033 . 1 . . . . . 145 ALA N . 50772 1 1185 . 1 . 1 113 113 ILE H H 1 9.235 0.003 . 1 . . . . . 146 ILE H . 50772 1 1186 . 1 . 1 113 113 ILE HA H 1 3.916 0.000 . 1 . . . . . 146 ILE HA . 50772 1 1187 . 1 . 1 113 113 ILE HB H 1 1.745 0.000 . 1 . . . . . 146 ILE HB . 50772 1 1188 . 1 . 1 113 113 ILE HG12 H 1 1.032 0.000 . 2 . . . . . 146 ILE HG12 . 50772 1 1189 . 1 . 1 113 113 ILE HG13 H 1 1.750 0.000 . 2 . . . . . 146 ILE HG13 . 50772 1 1190 . 1 . 1 113 113 ILE HG21 H 1 1.003 0.045 . 1 . . . . . 146 ILE HG21 . 50772 1 1191 . 1 . 1 113 113 ILE HG22 H 1 1.003 0.045 . 1 . . . . . 146 ILE HG22 . 50772 1 1192 . 1 . 1 113 113 ILE HG23 H 1 1.003 0.045 . 1 . . . . . 146 ILE HG23 . 50772 1 1193 . 1 . 1 113 113 ILE HD11 H 1 0.689 0.024 . 1 . . . . . 146 ILE HD11 . 50772 1 1194 . 1 . 1 113 113 ILE HD12 H 1 0.689 0.024 . 1 . . . . . 146 ILE HD12 . 50772 1 1195 . 1 . 1 113 113 ILE HD13 H 1 0.689 0.024 . 1 . . . . . 146 ILE HD13 . 50772 1 1196 . 1 . 1 113 113 ILE C C 13 176.233 0.000 . 1 . . . . . 146 ILE C . 50772 1 1197 . 1 . 1 113 113 ILE CA C 13 61.198 0.037 . 1 . . . . . 146 ILE CA . 50772 1 1198 . 1 . 1 113 113 ILE CB C 13 38.914 0.013 . 1 . . . . . 146 ILE CB . 50772 1 1199 . 1 . 1 113 113 ILE CG1 C 13 28.083 0.032 . 1 . . . . . 146 ILE CG1 . 50772 1 1200 . 1 . 1 113 113 ILE CG2 C 13 17.380 0.000 . 1 . . . . . 146 ILE CG2 . 50772 1 1201 . 1 . 1 113 113 ILE CD1 C 13 14.015 0.000 . 1 . . . . . 146 ILE CD1 . 50772 1 1202 . 1 . 1 113 113 ILE N N 15 126.812 0.028 . 1 . . . . . 146 ILE N . 50772 1 1203 . 1 . 1 114 114 VAL H H 1 8.515 0.005 . 1 . . . . . 147 VAL H . 50772 1 1204 . 1 . 1 114 114 VAL HA H 1 4.053 0.000 . 1 . . . . . 147 VAL HA . 50772 1 1205 . 1 . 1 114 114 VAL HB H 1 1.917 0.000 . 1 . . . . . 147 VAL HB . 50772 1 1206 . 1 . 1 114 114 VAL HG11 H 1 0.870 0.000 . 2 . . . . . 147 VAL HG11 . 50772 1 1207 . 1 . 1 114 114 VAL HG12 H 1 0.870 0.000 . 2 . . . . . 147 VAL HG12 . 50772 1 1208 . 1 . 1 114 114 VAL HG13 H 1 0.870 0.000 . 2 . . . . . 147 VAL HG13 . 50772 1 1209 . 1 . 1 114 114 VAL HG21 H 1 1.096 0.000 . 2 . . . . . 147 VAL HG21 . 50772 1 1210 . 1 . 1 114 114 VAL HG22 H 1 1.096 0.000 . 2 . . . . . 147 VAL HG22 . 50772 1 1211 . 1 . 1 114 114 VAL HG23 H 1 1.096 0.000 . 2 . . . . . 147 VAL HG23 . 50772 1 1212 . 1 . 1 114 114 VAL C C 13 177.198 0.000 . 1 . . . . . 147 VAL C . 50772 1 1213 . 1 . 1 114 114 VAL CA C 13 64.078 0.094 . 1 . . . . . 147 VAL CA . 50772 1 1214 . 1 . 1 114 114 VAL CB C 13 31.227 0.040 . 1 . . . . . 147 VAL CB . 50772 1 1215 . 1 . 1 114 114 VAL CG1 C 13 21.026 0.000 . 2 . . . . . 147 VAL CG1 . 50772 1 1216 . 1 . 1 114 114 VAL CG2 C 13 22.546 0.000 . 2 . . . . . 147 VAL CG2 . 50772 1 1217 . 1 . 1 114 114 VAL N N 15 127.836 0.061 . 1 . . . . . 147 VAL N . 50772 1 1218 . 1 . 1 115 115 THR H H 1 8.154 0.001 . 1 . . . . . 148 THR H . 50772 1 1219 . 1 . 1 115 115 THR HA H 1 3.534 0.000 . 1 . . . . . 148 THR HA . 50772 1 1220 . 1 . 1 115 115 THR HB H 1 3.687 0.000 . 1 . . . . . 148 THR HB . 50772 1 1221 . 1 . 1 115 115 THR HG21 H 1 0.417 0.000 . 1 . . . . . 148 THR HG21 . 50772 1 1222 . 1 . 1 115 115 THR HG22 H 1 0.417 0.000 . 1 . . . . . 148 THR HG22 . 50772 1 1223 . 1 . 1 115 115 THR HG23 H 1 0.417 0.000 . 1 . . . . . 148 THR HG23 . 50772 1 1224 . 1 . 1 115 115 THR C C 13 172.090 0.000 . 1 . . . . . 148 THR C . 50772 1 1225 . 1 . 1 115 115 THR CA C 13 66.017 0.068 . 1 . . . . . 148 THR CA . 50772 1 1226 . 1 . 1 115 115 THR CB C 13 68.139 0.040 . 1 . . . . . 148 THR CB . 50772 1 1227 . 1 . 1 115 115 THR CG2 C 13 24.130 0.000 . 1 . . . . . 148 THR CG2 . 50772 1 1228 . 1 . 1 115 115 THR N N 15 130.632 0.077 . 1 . . . . . 148 THR N . 50772 1 1229 . 1 . 1 116 116 GLN H H 1 8.329 0.004 . 1 . . . . . 149 GLN H . 50772 1 1230 . 1 . 1 116 116 GLN HA H 1 4.191 0.000 . 1 . . . . . 149 GLN HA . 50772 1 1231 . 1 . 1 116 116 GLN HB2 H 1 1.902 0.000 . 2 . . . . . 149 GLN HB2 . 50772 1 1232 . 1 . 1 116 116 GLN HB3 H 1 1.739 0.000 . 2 . . . . . 149 GLN HB3 . 50772 1 1233 . 1 . 1 116 116 GLN HG2 H 1 2.233 0.000 . 1 . . . . . 149 GLN HG2 . 50772 1 1234 . 1 . 1 116 116 GLN HG3 H 1 2.250 0.017 . 1 . . . . . 149 GLN HG3 . 50772 1 1235 . 1 . 1 116 116 GLN HE21 H 1 7.724 0.000 . 1 . . . . . 149 GLN HE21 . 50772 1 1236 . 1 . 1 116 116 GLN HE22 H 1 6.812 0.000 . 1 . . . . . 149 GLN HE22 . 50772 1 1237 . 1 . 1 116 116 GLN C C 13 172.943 0.000 . 1 . . . . . 149 GLN C . 50772 1 1238 . 1 . 1 116 116 GLN CA C 13 53.822 0.033 . 1 . . . . . 149 GLN CA . 50772 1 1239 . 1 . 1 116 116 GLN CB C 13 33.256 0.075 . 1 . . . . . 149 GLN CB . 50772 1 1240 . 1 . 1 116 116 GLN CG C 13 34.094 0.000 . 1 . . . . . 149 GLN CG . 50772 1 1241 . 1 . 1 116 116 GLN N N 15 125.731 0.024 . 1 . . . . . 149 GLN N . 50772 1 1242 . 1 . 1 116 116 GLN NE2 N 15 112.663 0.004 . 1 . . . . . 149 GLN NE2 . 50772 1 1243 . 1 . 1 117 117 PHE H H 1 8.399 0.002 . 1 . . . . . 150 PHE H . 50772 1 1244 . 1 . 1 117 117 PHE HA H 1 4.983 0.009 . 1 . . . . . 150 PHE HA . 50772 1 1245 . 1 . 1 117 117 PHE HB2 H 1 3.328 0.000 . 2 . . . . . 150 PHE HB2 . 50772 1 1246 . 1 . 1 117 117 PHE HB3 H 1 2.529 0.000 . 2 . . . . . 150 PHE HB3 . 50772 1 1247 . 1 . 1 117 117 PHE HD1 H 1 6.929 0.005 . 1 . . . . . 150 PHE HD1 . 50772 1 1248 . 1 . 1 117 117 PHE HD2 H 1 6.929 0.005 . 1 . . . . . 150 PHE HD2 . 50772 1 1249 . 1 . 1 117 117 PHE HE1 H 1 6.821 0.001 . 1 . . . . . 150 PHE HE1 . 50772 1 1250 . 1 . 1 117 117 PHE HE2 H 1 6.821 0.001 . 1 . . . . . 150 PHE HE2 . 50772 1 1251 . 1 . 1 117 117 PHE C C 13 175.697 0.000 . 1 . . . . . 150 PHE C . 50772 1 1252 . 1 . 1 117 117 PHE CA C 13 55.374 0.065 . 1 . . . . . 150 PHE CA . 50772 1 1253 . 1 . 1 117 117 PHE CB C 13 42.461 0.082 . 1 . . . . . 150 PHE CB . 50772 1 1254 . 1 . 1 117 117 PHE CD1 C 13 131.411 0.052 . 1 . . . . . 150 PHE CD1 . 50772 1 1255 . 1 . 1 117 117 PHE CD2 C 13 131.411 0.052 . 1 . . . . . 150 PHE CD2 . 50772 1 1256 . 1 . 1 117 117 PHE CE1 C 13 130.994 0.017 . 1 . . . . . 150 PHE CE1 . 50772 1 1257 . 1 . 1 117 117 PHE CE2 C 13 130.994 0.017 . 1 . . . . . 150 PHE CE2 . 50772 1 1258 . 1 . 1 117 117 PHE N N 15 117.318 0.029 . 1 . . . . . 150 PHE N . 50772 1 1259 . 1 . 1 118 118 ALA H H 1 8.576 0.002 . 1 . . . . . 151 ALA H . 50772 1 1260 . 1 . 1 118 118 ALA HA H 1 4.351 0.000 . 1 . . . . . 151 ALA HA . 50772 1 1261 . 1 . 1 118 118 ALA HB1 H 1 1.372 0.000 . 1 . . . . . 151 ALA HB1 . 50772 1 1262 . 1 . 1 118 118 ALA HB2 H 1 1.372 0.000 . 1 . . . . . 151 ALA HB2 . 50772 1 1263 . 1 . 1 118 118 ALA HB3 H 1 1.372 0.000 . 1 . . . . . 151 ALA HB3 . 50772 1 1264 . 1 . 1 118 118 ALA CA C 13 50.952 0.021 . 1 . . . . . 151 ALA CA . 50772 1 1265 . 1 . 1 118 118 ALA CB C 13 17.096 0.002 . 1 . . . . . 151 ALA CB . 50772 1 1266 . 1 . 1 118 118 ALA N N 15 123.043 0.027 . 1 . . . . . 151 ALA N . 50772 1 1267 . 1 . 1 120 120 GLY HA2 H 1 4.220 0.000 . 2 . . . . . 153 GLY HA2 . 50772 1 1268 . 1 . 1 120 120 GLY HA3 H 1 3.625 0.000 . 2 . . . . . 153 GLY HA3 . 50772 1 1269 . 1 . 1 120 120 GLY C C 13 174.659 0.000 . 1 . . . . . 153 GLY C . 50772 1 1270 . 1 . 1 120 120 GLY CA C 13 44.809 0.000 . 1 . . . . . 153 GLY CA . 50772 1 1271 . 1 . 1 121 121 THR H H 1 7.536 0.006 . 1 . . . . . 154 THR H . 50772 1 1272 . 1 . 1 121 121 THR HA H 1 3.822 0.000 . 1 . . . . . 154 THR HA . 50772 1 1273 . 1 . 1 121 121 THR HB H 1 3.844 0.028 . 1 . . . . . 154 THR HB . 50772 1 1274 . 1 . 1 121 121 THR HG21 H 1 1.232 0.000 . 1 . . . . . 154 THR HG21 . 50772 1 1275 . 1 . 1 121 121 THR HG22 H 1 1.232 0.000 . 1 . . . . . 154 THR HG22 . 50772 1 1276 . 1 . 1 121 121 THR HG23 H 1 1.232 0.000 . 1 . . . . . 154 THR HG23 . 50772 1 1277 . 1 . 1 121 121 THR C C 13 174.177 0.000 . 1 . . . . . 154 THR C . 50772 1 1278 . 1 . 1 121 121 THR CA C 13 64.281 0.044 . 1 . . . . . 154 THR CA . 50772 1 1279 . 1 . 1 121 121 THR CB C 13 68.986 0.099 . 1 . . . . . 154 THR CB . 50772 1 1280 . 1 . 1 121 121 THR CG2 C 13 21.461 0.000 . 1 . . . . . 154 THR CG2 . 50772 1 1281 . 1 . 1 121 121 THR N N 15 117.836 0.027 . 1 . . . . . 154 THR N . 50772 1 1282 . 1 . 1 122 122 LYS H H 1 8.841 0.307 . 1 . . . . . 155 LYS H . 50772 1 1283 . 1 . 1 122 122 LYS HA H 1 4.347 0.000 . 1 . . . . . 155 LYS HA . 50772 1 1284 . 1 . 1 122 122 LYS HB2 H 1 1.594 0.000 . 1 . . . . . 155 LYS HB2 . 50772 1 1285 . 1 . 1 122 122 LYS HB3 H 1 1.594 0.000 . 1 . . . . . 155 LYS HB3 . 50772 1 1286 . 1 . 1 122 122 LYS HG2 H 1 1.295 0.000 . 1 . . . . . 155 LYS HG2 . 50772 1 1287 . 1 . 1 122 122 LYS HG3 H 1 1.295 0.000 . 1 . . . . . 155 LYS HG3 . 50772 1 1288 . 1 . 1 122 122 LYS HD2 H 1 1.413 0.000 . 2 . . . . . 155 LYS HD2 . 50772 1 1289 . 1 . 1 122 122 LYS HD3 H 1 1.571 0.000 . 2 . . . . . 155 LYS HD3 . 50772 1 1290 . 1 . 1 122 122 LYS HE2 H 1 2.941 0.000 . 1 . . . . . 155 LYS HE2 . 50772 1 1291 . 1 . 1 122 122 LYS HE3 H 1 2.941 0.000 . 1 . . . . . 155 LYS HE3 . 50772 1 1292 . 1 . 1 122 122 LYS C C 13 174.584 0.000 . 1 . . . . . 155 LYS C . 50772 1 1293 . 1 . 1 122 122 LYS CA C 13 54.451 0.121 . 1 . . . . . 155 LYS CA . 50772 1 1294 . 1 . 1 122 122 LYS CB C 13 31.859 0.017 . 1 . . . . . 155 LYS CB . 50772 1 1295 . 1 . 1 122 122 LYS CG C 13 24.605 0.000 . 1 . . . . . 155 LYS CG . 50772 1 1296 . 1 . 1 122 122 LYS CD C 13 29.032 0.000 . 1 . . . . . 155 LYS CD . 50772 1 1297 . 1 . 1 122 122 LYS CE C 13 42.286 0.000 . 1 . . . . . 155 LYS CE . 50772 1 1298 . 1 . 1 122 122 LYS N N 15 130.910 0.134 . 1 . . . . . 155 LYS N . 50772 1 1299 . 1 . 1 123 123 LEU H H 1 7.796 0.004 . 1 . . . . . 156 LEU H . 50772 1 1300 . 1 . 1 123 123 LEU HA H 1 4.098 0.000 . 1 . . . . . 156 LEU HA . 50772 1 1301 . 1 . 1 123 123 LEU HB2 H 1 1.356 0.000 . 2 . . . . . 156 LEU HB2 . 50772 1 1302 . 1 . 1 123 123 LEU HB3 H 1 1.168 0.000 . 2 . . . . . 156 LEU HB3 . 50772 1 1303 . 1 . 1 123 123 LEU HG H 1 1.414 0.000 . 1 . . . . . 156 LEU HG . 50772 1 1304 . 1 . 1 123 123 LEU HD11 H 1 0.595 0.000 . 2 . . . . . 156 LEU HD11 . 50772 1 1305 . 1 . 1 123 123 LEU HD12 H 1 0.595 0.000 . 2 . . . . . 156 LEU HD12 . 50772 1 1306 . 1 . 1 123 123 LEU HD13 H 1 0.595 0.000 . 2 . . . . . 156 LEU HD13 . 50772 1 1307 . 1 . 1 123 123 LEU HD21 H 1 0.498 0.000 . 2 . . . . . 156 LEU HD21 . 50772 1 1308 . 1 . 1 123 123 LEU HD22 H 1 0.498 0.000 . 2 . . . . . 156 LEU HD22 . 50772 1 1309 . 1 . 1 123 123 LEU HD23 H 1 0.498 0.000 . 2 . . . . . 156 LEU HD23 . 50772 1 1310 . 1 . 1 123 123 LEU C C 13 174.584 0.000 . 1 . . . . . 156 LEU C . 50772 1 1311 . 1 . 1 123 123 LEU CA C 13 51.969 0.050 . 1 . . . . . 156 LEU CA . 50772 1 1312 . 1 . 1 123 123 LEU CB C 13 42.812 0.006 . 1 . . . . . 156 LEU CB . 50772 1 1313 . 1 . 1 123 123 LEU CG C 13 27.066 0.000 . 1 . . . . . 156 LEU CG . 50772 1 1314 . 1 . 1 123 123 LEU CD1 C 13 25.278 0.000 . 2 . . . . . 156 LEU CD1 . 50772 1 1315 . 1 . 1 123 123 LEU CD2 C 13 25.248 0.000 . 2 . . . . . 156 LEU CD2 . 50772 1 1316 . 1 . 1 123 123 LEU N N 15 126.005 0.031 . 1 . . . . . 156 LEU N . 50772 1 1317 . 1 . 1 124 124 PRO HA H 1 4.303 0.000 . 1 . . . . . 157 PRO HA . 50772 1 1318 . 1 . 1 124 124 PRO HB2 H 1 2.282 0.000 . 2 . . . . . 157 PRO HB2 . 50772 1 1319 . 1 . 1 124 124 PRO HB3 H 1 1.926 0.000 . 2 . . . . . 157 PRO HB3 . 50772 1 1320 . 1 . 1 124 124 PRO HG2 H 1 1.559 0.000 . 2 . . . . . 157 PRO HG2 . 50772 1 1321 . 1 . 1 124 124 PRO HG3 H 1 1.351 0.000 . 2 . . . . . 157 PRO HG3 . 50772 1 1322 . 1 . 1 124 124 PRO HD2 H 1 3.168 0.000 . 2 . . . . . 157 PRO HD2 . 50772 1 1323 . 1 . 1 124 124 PRO HD3 H 1 2.292 0.000 . 2 . . . . . 157 PRO HD3 . 50772 1 1324 . 1 . 1 124 124 PRO C C 13 176.406 0.000 . 1 . . . . . 157 PRO C . 50772 1 1325 . 1 . 1 124 124 PRO CA C 13 62.345 0.025 . 1 . . . . . 157 PRO CA . 50772 1 1326 . 1 . 1 124 124 PRO CB C 13 30.879 0.148 . 1 . . . . . 157 PRO CB . 50772 1 1327 . 1 . 1 124 124 PRO CG C 13 27.992 0.009 . 1 . . . . . 157 PRO CG . 50772 1 1328 . 1 . 1 124 124 PRO CD C 13 49.848 0.015 . 1 . . . . . 157 PRO CD . 50772 1 1329 . 1 . 1 125 125 LYS H H 1 8.297 0.003 . 1 . . . . . 158 LYS H . 50772 1 1330 . 1 . 1 125 125 LYS HA H 1 4.052 0.000 . 1 . . . . . 158 LYS HA . 50772 1 1331 . 1 . 1 125 125 LYS HB2 H 1 1.811 0.000 . 1 . . . . . 158 LYS HB2 . 50772 1 1332 . 1 . 1 125 125 LYS HB3 H 1 1.811 0.000 . 1 . . . . . 158 LYS HB3 . 50772 1 1333 . 1 . 1 125 125 LYS HG2 H 1 1.507 0.000 . 1 . . . . . 158 LYS HG2 . 50772 1 1334 . 1 . 1 125 125 LYS HG3 H 1 1.507 0.000 . 1 . . . . . 158 LYS HG3 . 50772 1 1335 . 1 . 1 125 125 LYS HD2 H 1 1.708 0.000 . 1 . . . . . 158 LYS HD2 . 50772 1 1336 . 1 . 1 125 125 LYS HD3 H 1 1.708 0.000 . 1 . . . . . 158 LYS HD3 . 50772 1 1337 . 1 . 1 125 125 LYS HE2 H 1 3.024 0.000 . 1 . . . . . 158 LYS HE2 . 50772 1 1338 . 1 . 1 125 125 LYS HE3 H 1 3.024 0.000 . 1 . . . . . 158 LYS HE3 . 50772 1 1339 . 1 . 1 125 125 LYS C C 13 176.126 0.000 . 1 . . . . . 158 LYS C . 50772 1 1340 . 1 . 1 125 125 LYS CA C 13 57.824 0.042 . 1 . . . . . 158 LYS CA . 50772 1 1341 . 1 . 1 125 125 LYS CB C 13 32.580 0.042 . 1 . . . . . 158 LYS CB . 50772 1 1342 . 1 . 1 125 125 LYS CG C 13 24.879 0.000 . 1 . . . . . 158 LYS CG . 50772 1 1343 . 1 . 1 125 125 LYS CD C 13 29.126 0.000 . 1 . . . . . 158 LYS CD . 50772 1 1344 . 1 . 1 125 125 LYS CE C 13 42.190 0.000 . 1 . . . . . 158 LYS CE . 50772 1 1345 . 1 . 1 125 125 LYS N N 15 120.088 0.072 . 1 . . . . . 158 LYS N . 50772 1 1346 . 1 . 1 126 126 ASN H H 1 8.736 0.003 . 1 . . . . . 159 ASN H . 50772 1 1347 . 1 . 1 126 126 ASN HA H 1 4.457 0.007 . 1 . . . . . 159 ASN HA . 50772 1 1348 . 1 . 1 126 126 ASN HB2 H 1 3.094 0.000 . 2 . . . . . 159 ASN HB2 . 50772 1 1349 . 1 . 1 126 126 ASN HB3 H 1 2.578 0.000 . 2 . . . . . 159 ASN HB3 . 50772 1 1350 . 1 . 1 126 126 ASN C C 13 173.101 0.000 . 1 . . . . . 159 ASN C . 50772 1 1351 . 1 . 1 126 126 ASN CA C 13 54.185 0.136 . 1 . . . . . 159 ASN CA . 50772 1 1352 . 1 . 1 126 126 ASN CB C 13 36.663 0.042 . 1 . . . . . 159 ASN CB . 50772 1 1353 . 1 . 1 126 126 ASN N N 15 113.429 0.042 . 1 . . . . . 159 ASN N . 50772 1 1354 . 1 . 1 127 127 PHE H H 1 7.624 0.003 . 1 . . . . . 160 PHE H . 50772 1 1355 . 1 . 1 127 127 PHE HA H 1 5.282 0.000 . 1 . . . . . 160 PHE HA . 50772 1 1356 . 1 . 1 127 127 PHE HB2 H 1 2.300 0.000 . 2 . . . . . 160 PHE HB2 . 50772 1 1357 . 1 . 1 127 127 PHE HB3 H 1 2.881 0.000 . 2 . . . . . 160 PHE HB3 . 50772 1 1358 . 1 . 1 127 127 PHE HD1 H 1 6.753 0.016 . 1 . . . . . 160 PHE HD1 . 50772 1 1359 . 1 . 1 127 127 PHE HD2 H 1 6.753 0.016 . 1 . . . . . 160 PHE HD2 . 50772 1 1360 . 1 . 1 127 127 PHE HE1 H 1 6.830 0.014 . 1 . . . . . 160 PHE HE1 . 50772 1 1361 . 1 . 1 127 127 PHE HE2 H 1 6.830 0.014 . 1 . . . . . 160 PHE HE2 . 50772 1 1362 . 1 . 1 127 127 PHE C C 13 175.438 0.000 . 1 . . . . . 160 PHE C . 50772 1 1363 . 1 . 1 127 127 PHE CA C 13 57.307 0.041 . 1 . . . . . 160 PHE CA . 50772 1 1364 . 1 . 1 127 127 PHE CB C 13 42.213 0.072 . 1 . . . . . 160 PHE CB . 50772 1 1365 . 1 . 1 127 127 PHE CD1 C 13 130.886 0.000 . 1 . . . . . 160 PHE CD1 . 50772 1 1366 . 1 . 1 127 127 PHE CD2 C 13 130.886 0.000 . 1 . . . . . 160 PHE CD2 . 50772 1 1367 . 1 . 1 127 127 PHE CE1 C 13 131.429 0.000 . 1 . . . . . 160 PHE CE1 . 50772 1 1368 . 1 . 1 127 127 PHE CE2 C 13 131.429 0.000 . 1 . . . . . 160 PHE CE2 . 50772 1 1369 . 1 . 1 127 127 PHE N N 15 117.244 0.050 . 1 . . . . . 160 PHE N . 50772 1 1370 . 1 . 1 128 128 HIS H H 1 8.686 0.010 . 1 . . . . . 161 HIS H . 50772 1 1371 . 1 . 1 128 128 HIS HA H 1 4.971 0.000 . 1 . . . . . 161 HIS HA . 50772 1 1372 . 1 . 1 128 128 HIS HB2 H 1 3.139 0.012 . 2 . . . . . 161 HIS HB2 . 50772 1 1373 . 1 . 1 128 128 HIS HB3 H 1 3.053 0.025 . 2 . . . . . 161 HIS HB3 . 50772 1 1374 . 1 . 1 128 128 HIS HD2 H 1 7.025 0.005 . 1 . . . . . 161 HIS HD2 . 50772 1 1375 . 1 . 1 128 128 HIS C C 13 173.764 0.000 . 1 . . . . . 161 HIS C . 50772 1 1376 . 1 . 1 128 128 HIS CA C 13 54.331 0.051 . 1 . . . . . 161 HIS CA . 50772 1 1377 . 1 . 1 128 128 HIS CB C 13 33.097 0.104 . 1 . . . . . 161 HIS CB . 50772 1 1378 . 1 . 1 128 128 HIS CD2 C 13 119.790 0.009 . 1 . . . . . 161 HIS CD2 . 50772 1 1379 . 1 . 1 128 128 HIS N N 15 119.047 0.126 . 1 . . . . . 161 HIS N . 50772 1 1380 . 1 . 1 129 129 ILE H H 1 8.656 0.005 . 1 . . . . . 162 ILE H . 50772 1 1381 . 1 . 1 129 129 ILE HB H 1 1.567 0.000 . 1 . . . . . 162 ILE HB . 50772 1 1382 . 1 . 1 129 129 ILE HG12 H 1 0.765 0.000 . 2 . . . . . 162 ILE HG12 . 50772 1 1383 . 1 . 1 129 129 ILE HG13 H 1 1.610 0.012 . 2 . . . . . 162 ILE HG13 . 50772 1 1384 . 1 . 1 129 129 ILE HG21 H 1 0.896 0.000 . 1 . . . . . 162 ILE HG21 . 50772 1 1385 . 1 . 1 129 129 ILE HG22 H 1 0.896 0.000 . 1 . . . . . 162 ILE HG22 . 50772 1 1386 . 1 . 1 129 129 ILE HG23 H 1 0.896 0.000 . 1 . . . . . 162 ILE HG23 . 50772 1 1387 . 1 . 1 129 129 ILE HD11 H 1 0.904 0.000 . 1 . . . . . 162 ILE HD11 . 50772 1 1388 . 1 . 1 129 129 ILE HD12 H 1 0.904 0.000 . 1 . . . . . 162 ILE HD12 . 50772 1 1389 . 1 . 1 129 129 ILE HD13 H 1 0.904 0.000 . 1 . . . . . 162 ILE HD13 . 50772 1 1390 . 1 . 1 129 129 ILE C C 13 175.971 0.000 . 1 . . . . . 162 ILE C . 50772 1 1391 . 1 . 1 129 129 ILE CA C 13 54.313 0.000 . 1 . . . . . 162 ILE CA . 50772 1 1392 . 1 . 1 129 129 ILE CB C 13 38.425 0.084 . 1 . . . . . 162 ILE CB . 50772 1 1393 . 1 . 1 129 129 ILE CG1 C 13 27.976 0.000 . 1 . . . . . 162 ILE CG1 . 50772 1 1394 . 1 . 1 129 129 ILE CG2 C 13 17.940 0.000 . 1 . . . . . 162 ILE CG2 . 50772 1 1395 . 1 . 1 129 129 ILE CD1 C 13 13.794 0.000 . 1 . . . . . 162 ILE CD1 . 50772 1 1396 . 1 . 1 129 129 ILE N N 15 126.992 0.033 . 1 . . . . . 162 ILE N . 50772 1 1397 . 1 . 1 130 130 GLU H H 1 8.972 0.004 . 1 . . . . . 163 GLU H . 50772 1 1398 . 1 . 1 130 130 GLU HA H 1 4.308 0.000 . 1 . . . . . 163 GLU HA . 50772 1 1399 . 1 . 1 130 130 GLU HB2 H 1 2.335 0.000 . 2 . . . . . 163 GLU HB2 . 50772 1 1400 . 1 . 1 130 130 GLU HB3 H 1 2.172 0.000 . 2 . . . . . 163 GLU HB3 . 50772 1 1401 . 1 . 1 130 130 GLU HG2 H 1 2.376 0.000 . 2 . . . . . 163 GLU HG2 . 50772 1 1402 . 1 . 1 130 130 GLU HG3 H 1 2.280 0.013 . 2 . . . . . 163 GLU HG3 . 50772 1 1403 . 1 . 1 130 130 GLU C C 13 176.938 0.000 . 1 . . . . . 163 GLU C . 50772 1 1404 . 1 . 1 130 130 GLU CA C 13 57.203 0.081 . 1 . . . . . 163 GLU CA . 50772 1 1405 . 1 . 1 130 130 GLU CB C 13 29.847 0.021 . 1 . . . . . 163 GLU CB . 50772 1 1406 . 1 . 1 130 130 GLU CG C 13 35.693 0.004 . 1 . . . . . 163 GLU CG . 50772 1 1407 . 1 . 1 130 130 GLU N N 15 129.032 0.024 . 1 . . . . . 163 GLU N . 50772 1 1408 . 1 . 1 131 131 GLY H H 1 8.766 0.003 . 1 . . . . . 164 GLY H . 50772 1 1409 . 1 . 1 131 131 GLY HA2 H 1 4.255 0.000 . 2 . . . . . 164 GLY HA2 . 50772 1 1410 . 1 . 1 131 131 GLY HA3 H 1 4.094 0.000 . 2 . . . . . 164 GLY HA3 . 50772 1 1411 . 1 . 1 131 131 GLY C C 13 174.765 0.000 . 1 . . . . . 164 GLY C . 50772 1 1412 . 1 . 1 131 131 GLY CA C 13 44.982 0.041 . 1 . . . . . 164 GLY CA . 50772 1 1413 . 1 . 1 131 131 GLY N N 15 109.532 0.022 . 1 . . . . . 164 GLY N . 50772 1 1414 . 1 . 1 132 132 THR H H 1 7.877 0.002 . 1 . . . . . 165 THR H . 50772 1 1415 . 1 . 1 132 132 THR HA H 1 4.515 0.000 . 1 . . . . . 165 THR HA . 50772 1 1416 . 1 . 1 132 132 THR HB H 1 4.336 0.000 . 1 . . . . . 165 THR HB . 50772 1 1417 . 1 . 1 132 132 THR HG21 H 1 1.235 0.000 . 1 . . . . . 165 THR HG21 . 50772 1 1418 . 1 . 1 132 132 THR HG22 H 1 1.235 0.000 . 1 . . . . . 165 THR HG22 . 50772 1 1419 . 1 . 1 132 132 THR HG23 H 1 1.235 0.000 . 1 . . . . . 165 THR HG23 . 50772 1 1420 . 1 . 1 132 132 THR C C 13 175.313 0.000 . 1 . . . . . 165 THR C . 50772 1 1421 . 1 . 1 132 132 THR CA C 13 61.497 0.052 . 1 . . . . . 165 THR CA . 50772 1 1422 . 1 . 1 132 132 THR CB C 13 70.680 0.013 . 1 . . . . . 165 THR CB . 50772 1 1423 . 1 . 1 132 132 THR CG2 C 13 21.668 0.000 . 1 . . . . . 165 THR CG2 . 50772 1 1424 . 1 . 1 132 132 THR N N 15 110.239 0.033 . 1 . . . . . 165 THR N . 50772 1 1425 . 1 . 1 133 133 GLY H H 1 8.655 0.002 . 1 . . . . . 166 GLY H . 50772 1 1426 . 1 . 1 133 133 GLY HA2 H 1 4.093 0.000 . 1 . . . . . 166 GLY HA2 . 50772 1 1427 . 1 . 1 133 133 GLY HA3 H 1 4.093 0.000 . 1 . . . . . 166 GLY HA3 . 50772 1 1428 . 1 . 1 133 133 GLY C C 13 174.685 0.000 . 1 . . . . . 166 GLY C . 50772 1 1429 . 1 . 1 133 133 GLY CA C 13 45.374 0.026 . 1 . . . . . 166 GLY CA . 50772 1 1430 . 1 . 1 133 133 GLY N N 15 110.445 0.035 . 1 . . . . . 166 GLY N . 50772 1 1431 . 1 . 1 134 134 GLY H H 1 8.371 0.001 . 1 . . . . . 167 GLY H . 50772 1 1432 . 1 . 1 134 134 GLY HA2 H 1 4.031 0.000 . 1 . . . . . 167 GLY HA2 . 50772 1 1433 . 1 . 1 134 134 GLY HA3 H 1 4.031 0.000 . 1 . . . . . 167 GLY HA3 . 50772 1 1434 . 1 . 1 134 134 GLY C C 13 174.008 0.000 . 1 . . . . . 167 GLY C . 50772 1 1435 . 1 . 1 134 134 GLY CA C 13 45.334 0.028 . 1 . . . . . 167 GLY CA . 50772 1 1436 . 1 . 1 134 134 GLY N N 15 108.812 0.012 . 1 . . . . . 167 GLY N . 50772 1 1437 . 1 . 1 135 135 ASN H H 1 8.431 0.002 . 1 . . . . . 168 ASN H . 50772 1 1438 . 1 . 1 135 135 ASN HA H 1 4.835 0.000 . 1 . . . . . 168 ASN HA . 50772 1 1439 . 1 . 1 135 135 ASN HB2 H 1 2.747 0.000 . 2 . . . . . 168 ASN HB2 . 50772 1 1440 . 1 . 1 135 135 ASN HB3 H 1 2.854 0.000 . 2 . . . . . 168 ASN HB3 . 50772 1 1441 . 1 . 1 135 135 ASN C C 13 174.481 0.000 . 1 . . . . . 168 ASN C . 50772 1 1442 . 1 . 1 135 135 ASN CA C 13 53.221 0.025 . 1 . . . . . 168 ASN CA . 50772 1 1443 . 1 . 1 135 135 ASN CB C 13 39.274 0.055 . 1 . . . . . 168 ASN CB . 50772 1 1444 . 1 . 1 135 135 ASN N N 15 119.013 0.010 . 1 . . . . . 168 ASN N . 50772 1 1445 . 1 . 1 136 136 SER H H 1 8.001 0.002 . 1 . . . . . 169 SER H . 50772 1 1446 . 1 . 1 136 136 SER HA H 1 4.270 0.000 . 1 . . . . . 169 SER HA . 50772 1 1447 . 1 . 1 136 136 SER HB2 H 1 3.849 0.000 . 1 . . . . . 169 SER HB2 . 50772 1 1448 . 1 . 1 136 136 SER HB3 H 1 3.849 0.000 . 1 . . . . . 169 SER HB3 . 50772 1 1449 . 1 . 1 136 136 SER CA C 13 60.187 0.052 . 1 . . . . . 169 SER CA . 50772 1 1450 . 1 . 1 136 136 SER CB C 13 64.897 0.035 . 1 . . . . . 169 SER CB . 50772 1 1451 . 1 . 1 136 136 SER N N 15 121.434 0.013 . 1 . . . . . 169 SER N . 50772 1 stop_ save_