data_25802 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25802 _Entry.Title ; Resonance assignments of [15N, 13C] human DCL-1 (CD302) extracellular domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-09 _Entry.Accession_date 2015-09-09 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Eliska Pospisilova . . . . 25802 2 Daniel Kavan . . . . 25802 3 Petr Novak . . . . 25802 4 Josef Chmelik . . . . 25802 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25802 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 627 25802 '15N chemical shifts' 151 25802 '1H chemical shifts' 962 25802 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-01-06 . original BMRB . 25802 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25802 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26725057 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of human DCL-1 (CD302) extracellular domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 189 _Citation.Page_last 192 _Citation.Year 2016 _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 Eliska Pospisilova . . . . 25802 1 2 Daniel Kavan . . . . 25802 1 3 Petr Novak . . . . 25802 1 4 Josef Chmelik . . . . 25802 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C-type lectin like receptor' 25802 1 'DCL-1 (CD302)' 25802 1 'heteronuclear NMR spectroscopy' 25802 1 'protein NMR' 25802 1 'resonance assignment' 25802 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25802 _Assembly.ID 1 _Assembly.Name CD302 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CD302 1 $CD302 A . yes native no no . . . 25802 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD302 _Entity.Sf_category entity _Entity.Sf_framecode CD302 _Entity.Entry_ID 25802 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD302 _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 ; MDCPSSTWIQFQDSCYIFLQ EAIKVESIEDVRNQCTDHGA DMISIHNEEENAFILDTLKK QWKGPDDILLGMFYDTDDAS FKWFDNSNMTFDKWTDQDDD EDLVDTCAFLHIKTGEWKKG NCEVSSVEGTLCKTAIPYKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ASP23-ARG161 _Entity.Polymer_author_seq_details 'Construct contains initial MET (MET22) which is not in full native sequence.' _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'CD302 extracellular domain (ASP23-ARG161) containing whole C-type lectin like domain (PHE32-LEU152)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8IX05 . 'CD302 antigen' . . . . . . . . . . . . . . 25802 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 22 MET . 25802 1 2 23 ASP . 25802 1 3 24 CYS . 25802 1 4 25 PRO . 25802 1 5 26 SER . 25802 1 6 27 SER . 25802 1 7 28 THR . 25802 1 8 29 TRP . 25802 1 9 30 ILE . 25802 1 10 31 GLN . 25802 1 11 32 PHE . 25802 1 12 33 GLN . 25802 1 13 34 ASP . 25802 1 14 35 SER . 25802 1 15 36 CYS . 25802 1 16 37 TYR . 25802 1 17 38 ILE . 25802 1 18 39 PHE . 25802 1 19 40 LEU . 25802 1 20 41 GLN . 25802 1 21 42 GLU . 25802 1 22 43 ALA . 25802 1 23 44 ILE . 25802 1 24 45 LYS . 25802 1 25 46 VAL . 25802 1 26 47 GLU . 25802 1 27 48 SER . 25802 1 28 49 ILE . 25802 1 29 50 GLU . 25802 1 30 51 ASP . 25802 1 31 52 VAL . 25802 1 32 53 ARG . 25802 1 33 54 ASN . 25802 1 34 55 GLN . 25802 1 35 56 CYS . 25802 1 36 57 THR . 25802 1 37 58 ASP . 25802 1 38 59 HIS . 25802 1 39 60 GLY . 25802 1 40 61 ALA . 25802 1 41 62 ASP . 25802 1 42 63 MET . 25802 1 43 64 ILE . 25802 1 44 65 SER . 25802 1 45 66 ILE . 25802 1 46 67 HIS . 25802 1 47 68 ASN . 25802 1 48 69 GLU . 25802 1 49 70 GLU . 25802 1 50 71 GLU . 25802 1 51 72 ASN . 25802 1 52 73 ALA . 25802 1 53 74 PHE . 25802 1 54 75 ILE . 25802 1 55 76 LEU . 25802 1 56 77 ASP . 25802 1 57 78 THR . 25802 1 58 79 LEU . 25802 1 59 80 LYS . 25802 1 60 81 LYS . 25802 1 61 82 GLN . 25802 1 62 83 TRP . 25802 1 63 84 LYS . 25802 1 64 85 GLY . 25802 1 65 86 PRO . 25802 1 66 87 ASP . 25802 1 67 88 ASP . 25802 1 68 89 ILE . 25802 1 69 90 LEU . 25802 1 70 91 LEU . 25802 1 71 92 GLY . 25802 1 72 93 MET . 25802 1 73 94 PHE . 25802 1 74 95 TYR . 25802 1 75 96 ASP . 25802 1 76 97 THR . 25802 1 77 98 ASP . 25802 1 78 99 ASP . 25802 1 79 100 ALA . 25802 1 80 101 SER . 25802 1 81 102 PHE . 25802 1 82 103 LYS . 25802 1 83 104 TRP . 25802 1 84 105 PHE . 25802 1 85 106 ASP . 25802 1 86 107 ASN . 25802 1 87 108 SER . 25802 1 88 109 ASN . 25802 1 89 110 MET . 25802 1 90 111 THR . 25802 1 91 112 PHE . 25802 1 92 113 ASP . 25802 1 93 114 LYS . 25802 1 94 115 TRP . 25802 1 95 116 THR . 25802 1 96 117 ASP . 25802 1 97 118 GLN . 25802 1 98 119 ASP . 25802 1 99 120 ASP . 25802 1 100 121 ASP . 25802 1 101 122 GLU . 25802 1 102 123 ASP . 25802 1 103 124 LEU . 25802 1 104 125 VAL . 25802 1 105 126 ASP . 25802 1 106 127 THR . 25802 1 107 128 CYS . 25802 1 108 129 ALA . 25802 1 109 130 PHE . 25802 1 110 131 LEU . 25802 1 111 132 HIS . 25802 1 112 133 ILE . 25802 1 113 134 LYS . 25802 1 114 135 THR . 25802 1 115 136 GLY . 25802 1 116 137 GLU . 25802 1 117 138 TRP . 25802 1 118 139 LYS . 25802 1 119 140 LYS . 25802 1 120 141 GLY . 25802 1 121 142 ASN . 25802 1 122 143 CYS . 25802 1 123 144 GLU . 25802 1 124 145 VAL . 25802 1 125 146 SER . 25802 1 126 147 SER . 25802 1 127 148 VAL . 25802 1 128 149 GLU . 25802 1 129 150 GLY . 25802 1 130 151 THR . 25802 1 131 152 LEU . 25802 1 132 153 CYS . 25802 1 133 154 LYS . 25802 1 134 155 THR . 25802 1 135 156 ALA . 25802 1 136 157 ILE . 25802 1 137 158 PRO . 25802 1 138 159 TYR . 25802 1 139 160 LYS . 25802 1 140 161 ARG . 25802 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25802 1 . ASP 2 2 25802 1 . CYS 3 3 25802 1 . PRO 4 4 25802 1 . SER 5 5 25802 1 . SER 6 6 25802 1 . THR 7 7 25802 1 . TRP 8 8 25802 1 . ILE 9 9 25802 1 . GLN 10 10 25802 1 . PHE 11 11 25802 1 . GLN 12 12 25802 1 . ASP 13 13 25802 1 . SER 14 14 25802 1 . CYS 15 15 25802 1 . TYR 16 16 25802 1 . ILE 17 17 25802 1 . PHE 18 18 25802 1 . LEU 19 19 25802 1 . GLN 20 20 25802 1 . GLU 21 21 25802 1 . ALA 22 22 25802 1 . ILE 23 23 25802 1 . LYS 24 24 25802 1 . VAL 25 25 25802 1 . GLU 26 26 25802 1 . SER 27 27 25802 1 . ILE 28 28 25802 1 . GLU 29 29 25802 1 . ASP 30 30 25802 1 . VAL 31 31 25802 1 . ARG 32 32 25802 1 . ASN 33 33 25802 1 . GLN 34 34 25802 1 . CYS 35 35 25802 1 . THR 36 36 25802 1 . ASP 37 37 25802 1 . HIS 38 38 25802 1 . GLY 39 39 25802 1 . ALA 40 40 25802 1 . ASP 41 41 25802 1 . MET 42 42 25802 1 . ILE 43 43 25802 1 . SER 44 44 25802 1 . ILE 45 45 25802 1 . HIS 46 46 25802 1 . ASN 47 47 25802 1 . GLU 48 48 25802 1 . GLU 49 49 25802 1 . GLU 50 50 25802 1 . ASN 51 51 25802 1 . ALA 52 52 25802 1 . PHE 53 53 25802 1 . ILE 54 54 25802 1 . LEU 55 55 25802 1 . ASP 56 56 25802 1 . THR 57 57 25802 1 . LEU 58 58 25802 1 . LYS 59 59 25802 1 . LYS 60 60 25802 1 . GLN 61 61 25802 1 . TRP 62 62 25802 1 . LYS 63 63 25802 1 . GLY 64 64 25802 1 . PRO 65 65 25802 1 . ASP 66 66 25802 1 . ASP 67 67 25802 1 . ILE 68 68 25802 1 . LEU 69 69 25802 1 . LEU 70 70 25802 1 . GLY 71 71 25802 1 . MET 72 72 25802 1 . PHE 73 73 25802 1 . TYR 74 74 25802 1 . ASP 75 75 25802 1 . THR 76 76 25802 1 . ASP 77 77 25802 1 . ASP 78 78 25802 1 . ALA 79 79 25802 1 . SER 80 80 25802 1 . PHE 81 81 25802 1 . LYS 82 82 25802 1 . TRP 83 83 25802 1 . PHE 84 84 25802 1 . ASP 85 85 25802 1 . ASN 86 86 25802 1 . SER 87 87 25802 1 . ASN 88 88 25802 1 . MET 89 89 25802 1 . THR 90 90 25802 1 . PHE 91 91 25802 1 . ASP 92 92 25802 1 . LYS 93 93 25802 1 . TRP 94 94 25802 1 . THR 95 95 25802 1 . ASP 96 96 25802 1 . GLN 97 97 25802 1 . ASP 98 98 25802 1 . ASP 99 99 25802 1 . ASP 100 100 25802 1 . GLU 101 101 25802 1 . ASP 102 102 25802 1 . LEU 103 103 25802 1 . VAL 104 104 25802 1 . ASP 105 105 25802 1 . THR 106 106 25802 1 . CYS 107 107 25802 1 . ALA 108 108 25802 1 . PHE 109 109 25802 1 . LEU 110 110 25802 1 . HIS 111 111 25802 1 . ILE 112 112 25802 1 . LYS 113 113 25802 1 . THR 114 114 25802 1 . GLY 115 115 25802 1 . GLU 116 116 25802 1 . TRP 117 117 25802 1 . LYS 118 118 25802 1 . LYS 119 119 25802 1 . GLY 120 120 25802 1 . ASN 121 121 25802 1 . CYS 122 122 25802 1 . GLU 123 123 25802 1 . VAL 124 124 25802 1 . SER 125 125 25802 1 . SER 126 126 25802 1 . VAL 127 127 25802 1 . GLU 128 128 25802 1 . GLY 129 129 25802 1 . THR 130 130 25802 1 . LEU 131 131 25802 1 . CYS 132 132 25802 1 . LYS 133 133 25802 1 . THR 134 134 25802 1 . ALA 135 135 25802 1 . ILE 136 136 25802 1 . PRO 137 137 25802 1 . TYR 138 138 25802 1 . LYS 139 139 25802 1 . ARG 140 140 25802 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25802 _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 $CD302 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CD302 . 25802 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25802 _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 $CD302 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Gold(DE3) . . . . . pET-30a(+) . . . 25802 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25802 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD302 '[U-100% 13C; U-100% 15N]' . . 1 $CD302 . . 0.5 . . mM . . . . 25802 1 2 PIPES 'natural abundance' . . . . . . 25 . . mM . . . . 25802 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25802 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25802 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25802 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25802 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 25802 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 25802 1 pressure 1 . atm 25802 1 temperature 303.15 . K 25802 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25802 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25802 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25802 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25802 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25802 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25802 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25802 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25802 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25802 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25802 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25802 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 . . . 25802 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25802 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 14 '3D H(CC)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 15 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 16 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 18 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25802 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25802 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 25802 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25802 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25802 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25802 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25802 1 2 '3D HNCO' . . . 25802 1 3 '3D HN(CA)CO' . . . 25802 1 4 '3D HNCA' . . . 25802 1 5 '3D HN(CO)CA' . . . 25802 1 6 '3D HNCACB' . . . 25802 1 7 '3D CBCA(CO)NH' . . . 25802 1 8 '2D 1H-13C HSQC aliphatic' . . . 25802 1 9 '2D 1H-13C HSQC aromatic' . . . 25802 1 10 '3D 1H-15N NOESY' . . . 25802 1 11 '3D 1H-13C NOESY aliphatic' . . . 25802 1 12 '3D 1H-13C NOESY aromatic' . . . 25802 1 13 '3D 1H-15N TOCSY' . . . 25802 1 14 '3D H(CC)(CO)NH' . . . 25802 1 15 '3D (H)CC(CO)NH' . . . 25802 1 16 '2D (HB)CB(CGCD)HD' . . . 25802 1 17 '3D HCCH-TOCSY' . . . 25802 1 18 '3D HCCH-TOCSY aromatic' . . . 25802 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 3 $SPARKY . . 25802 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.735 0.005 . 1 . . . . 23 ASP HA . 25802 1 2 . 1 1 2 2 ASP HB2 H 1 2.443 0.010 . 2 . . . . 23 ASP HB2 . 25802 1 3 . 1 1 2 2 ASP HB3 H 1 2.690 0.008 . 2 . . . . 23 ASP HB3 . 25802 1 4 . 1 1 2 2 ASP C C 13 175.780 0.004 . 1 . . . . 23 ASP C . 25802 1 5 . 1 1 2 2 ASP CA C 13 55.078 0.051 . 1 . . . . 23 ASP CA . 25802 1 6 . 1 1 2 2 ASP CB C 13 42.245 0.093 . 1 . . . . 23 ASP CB . 25802 1 7 . 1 1 3 3 CYS H H 1 7.994 0.004 . 1 . . . . 24 CYS H . 25802 1 8 . 1 1 3 3 CYS HA H 1 4.847 0.009 . 1 . . . . 24 CYS HA . 25802 1 9 . 1 1 3 3 CYS HB2 H 1 2.846 0.005 . 2 . . . . 24 CYS HB2 . 25802 1 10 . 1 1 3 3 CYS HB3 H 1 2.886 0.009 . 2 . . . . 24 CYS HB3 . 25802 1 11 . 1 1 3 3 CYS C C 13 173.262 0.000 . 1 . . . . 24 CYS C . 25802 1 12 . 1 1 3 3 CYS CA C 13 52.661 0.070 . 1 . . . . 24 CYS CA . 25802 1 13 . 1 1 3 3 CYS CB C 13 38.285 0.100 . 1 . . . . 24 CYS CB . 25802 1 14 . 1 1 3 3 CYS N N 15 116.251 0.102 . 1 . . . . 24 CYS N . 25802 1 15 . 1 1 4 4 PRO HA H 1 3.965 0.002 . 1 . . . . 25 PRO HA . 25802 1 16 . 1 1 4 4 PRO HB2 H 1 1.369 0.006 . 2 . . . . 25 PRO HB2 . 25802 1 17 . 1 1 4 4 PRO HB3 H 1 2.252 0.004 . 2 . . . . 25 PRO HB3 . 25802 1 18 . 1 1 4 4 PRO HG2 H 1 0.848 0.005 . 2 . . . . 25 PRO HG2 . 25802 1 19 . 1 1 4 4 PRO HG3 H 1 1.442 0.006 . 2 . . . . 25 PRO HG3 . 25802 1 20 . 1 1 4 4 PRO HD2 H 1 1.675 0.007 . 2 . . . . 25 PRO HD2 . 25802 1 21 . 1 1 4 4 PRO HD3 H 1 3.127 0.009 . 2 . . . . 25 PRO HD3 . 25802 1 22 . 1 1 4 4 PRO C C 13 176.227 0.003 . 1 . . . . 25 PRO C . 25802 1 23 . 1 1 4 4 PRO CA C 13 65.976 0.070 . 1 . . . . 25 PRO CA . 25802 1 24 . 1 1 4 4 PRO CB C 13 32.127 0.075 . 1 . . . . 25 PRO CB . 25802 1 25 . 1 1 4 4 PRO CG C 13 27.461 0.103 . 1 . . . . 25 PRO CG . 25802 1 26 . 1 1 4 4 PRO CD C 13 49.837 0.070 . 1 . . . . 25 PRO CD . 25802 1 27 . 1 1 5 5 SER H H 1 6.957 0.006 . 1 . . . . 26 SER H . 25802 1 28 . 1 1 5 5 SER HA H 1 4.741 0.007 . 1 . . . . 26 SER HA . 25802 1 29 . 1 1 5 5 SER HB2 H 1 4.112 0.004 . 2 . . . . 26 SER HB2 . 25802 1 30 . 1 1 5 5 SER HB3 H 1 4.348 0.004 . 2 . . . . 26 SER HB3 . 25802 1 31 . 1 1 5 5 SER C C 13 175.168 0.000 . 1 . . . . 26 SER C . 25802 1 32 . 1 1 5 5 SER CA C 13 57.179 0.031 . 1 . . . . 26 SER CA . 25802 1 33 . 1 1 5 5 SER CB C 13 65.819 0.038 . 1 . . . . 26 SER CB . 25802 1 34 . 1 1 5 5 SER N N 15 106.471 0.050 . 1 . . . . 26 SER N . 25802 1 35 . 1 1 6 6 SER HA H 1 4.513 0.002 . 1 . . . . 27 SER HA . 25802 1 36 . 1 1 6 6 SER HB2 H 1 4.044 0.003 . 2 . . . . 27 SER HB2 . 25802 1 37 . 1 1 6 6 SER HB3 H 1 4.219 0.004 . 2 . . . . 27 SER HB3 . 25802 1 38 . 1 1 6 6 SER C C 13 174.478 0.000 . 1 . . . . 27 SER C . 25802 1 39 . 1 1 6 6 SER CA C 13 60.648 0.063 . 1 . . . . 27 SER CA . 25802 1 40 . 1 1 6 6 SER CB C 13 63.329 0.068 . 1 . . . . 27 SER CB . 25802 1 41 . 1 1 7 7 THR H H 1 8.192 0.004 . 1 . . . . 28 THR H . 25802 1 42 . 1 1 7 7 THR HA H 1 4.289 0.006 . 1 . . . . 28 THR HA . 25802 1 43 . 1 1 7 7 THR HB H 1 4.104 0.004 . 1 . . . . 28 THR HB . 25802 1 44 . 1 1 7 7 THR HG21 H 1 1.269 0.004 . 1 . . . . 28 THR MG . 25802 1 45 . 1 1 7 7 THR HG22 H 1 1.269 0.004 . 1 . . . . 28 THR MG . 25802 1 46 . 1 1 7 7 THR HG23 H 1 1.269 0.004 . 1 . . . . 28 THR MG . 25802 1 47 . 1 1 7 7 THR C C 13 175.148 0.011 . 1 . . . . 28 THR C . 25802 1 48 . 1 1 7 7 THR CA C 13 63.876 0.066 . 1 . . . . 28 THR CA . 25802 1 49 . 1 1 7 7 THR CB C 13 69.184 0.051 . 1 . . . . 28 THR CB . 25802 1 50 . 1 1 7 7 THR CG2 C 13 22.840 0.102 . 1 . . . . 28 THR CG2 . 25802 1 51 . 1 1 7 7 THR N N 15 115.026 0.096 . 1 . . . . 28 THR N . 25802 1 52 . 1 1 8 8 TRP H H 1 7.586 0.005 . 1 . . . . 29 TRP H . 25802 1 53 . 1 1 8 8 TRP HA H 1 4.878 0.015 . 1 . . . . 29 TRP HA . 25802 1 54 . 1 1 8 8 TRP HB2 H 1 3.288 0.012 . 1 . . . . 29 TRP HB2 . 25802 1 55 . 1 1 8 8 TRP HB3 H 1 3.288 0.012 . 1 . . . . 29 TRP HB3 . 25802 1 56 . 1 1 8 8 TRP HD1 H 1 7.731 0.005 . 1 . . . . 29 TRP HD1 . 25802 1 57 . 1 1 8 8 TRP HE1 H 1 10.572 0.005 . 1 . . . . 29 TRP HE1 . 25802 1 58 . 1 1 8 8 TRP HE3 H 1 7.202 0.007 . 1 . . . . 29 TRP HE3 . 25802 1 59 . 1 1 8 8 TRP HZ2 H 1 7.528 0.008 . 1 . . . . 29 TRP HZ2 . 25802 1 60 . 1 1 8 8 TRP HZ3 H 1 6.847 0.011 . 1 . . . . 29 TRP HZ3 . 25802 1 61 . 1 1 8 8 TRP HH2 H 1 7.276 0.003 . 1 . . . . 29 TRP HH2 . 25802 1 62 . 1 1 8 8 TRP C C 13 175.787 0.005 . 1 . . . . 29 TRP C . 25802 1 63 . 1 1 8 8 TRP CA C 13 57.449 0.036 . 1 . . . . 29 TRP CA . 25802 1 64 . 1 1 8 8 TRP CB C 13 30.213 0.063 . 1 . . . . 29 TRP CB . 25802 1 65 . 1 1 8 8 TRP CD1 C 13 128.279 0.125 . 1 . . . . 29 TRP CD1 . 25802 1 66 . 1 1 8 8 TRP CE3 C 13 120.596 0.167 . 1 . . . . 29 TRP CE3 . 25802 1 67 . 1 1 8 8 TRP CZ2 C 13 114.620 0.102 . 1 . . . . 29 TRP CZ2 . 25802 1 68 . 1 1 8 8 TRP CZ3 C 13 124.085 0.076 . 1 . . . . 29 TRP CZ3 . 25802 1 69 . 1 1 8 8 TRP CH2 C 13 124.891 0.047 . 1 . . . . 29 TRP CH2 . 25802 1 70 . 1 1 8 8 TRP N N 15 121.434 0.053 . 1 . . . . 29 TRP N . 25802 1 71 . 1 1 8 8 TRP NE1 N 15 132.468 0.100 . 1 . . . . 29 TRP NE1 . 25802 1 72 . 1 1 9 9 ILE H H 1 9.896 0.005 . 1 . . . . 30 ILE H . 25802 1 73 . 1 1 9 9 ILE HA H 1 4.636 0.007 . 1 . . . . 30 ILE HA . 25802 1 74 . 1 1 9 9 ILE HB H 1 2.041 0.009 . 1 . . . . 30 ILE HB . 25802 1 75 . 1 1 9 9 ILE HG12 H 1 1.358 0.011 . 2 . . . . 30 ILE HG12 . 25802 1 76 . 1 1 9 9 ILE HG13 H 1 1.762 0.004 . 2 . . . . 30 ILE HG13 . 25802 1 77 . 1 1 9 9 ILE HG21 H 1 1.184 0.005 . 1 . . . . 30 ILE MG . 25802 1 78 . 1 1 9 9 ILE HG22 H 1 1.184 0.005 . 1 . . . . 30 ILE MG . 25802 1 79 . 1 1 9 9 ILE HG23 H 1 1.184 0.005 . 1 . . . . 30 ILE MG . 25802 1 80 . 1 1 9 9 ILE HD11 H 1 0.741 0.005 . 1 . . . . 30 ILE MD . 25802 1 81 . 1 1 9 9 ILE HD12 H 1 0.741 0.005 . 1 . . . . 30 ILE MD . 25802 1 82 . 1 1 9 9 ILE HD13 H 1 0.741 0.005 . 1 . . . . 30 ILE MD . 25802 1 83 . 1 1 9 9 ILE C C 13 175.357 0.014 . 1 . . . . 30 ILE C . 25802 1 84 . 1 1 9 9 ILE CA C 13 60.657 0.092 . 1 . . . . 30 ILE CA . 25802 1 85 . 1 1 9 9 ILE CB C 13 41.224 0.087 . 1 . . . . 30 ILE CB . 25802 1 86 . 1 1 9 9 ILE CG1 C 13 27.920 0.070 . 1 . . . . 30 ILE CG1 . 25802 1 87 . 1 1 9 9 ILE CG2 C 13 18.294 0.054 . 1 . . . . 30 ILE CG2 . 25802 1 88 . 1 1 9 9 ILE CD1 C 13 13.277 0.067 . 1 . . . . 30 ILE CD1 . 25802 1 89 . 1 1 9 9 ILE N N 15 121.995 0.062 . 1 . . . . 30 ILE N . 25802 1 90 . 1 1 10 10 GLN H H 1 8.981 0.004 . 1 . . . . 31 GLN H . 25802 1 91 . 1 1 10 10 GLN HA H 1 5.350 0.008 . 1 . . . . 31 GLN HA . 25802 1 92 . 1 1 10 10 GLN HB2 H 1 2.152 0.009 . 1 . . . . 31 GLN HB2 . 25802 1 93 . 1 1 10 10 GLN HB3 H 1 2.152 0.009 . 1 . . . . 31 GLN HB3 . 25802 1 94 . 1 1 10 10 GLN HG2 H 1 2.278 0.004 . 2 . . . . 31 GLN HG2 . 25802 1 95 . 1 1 10 10 GLN HG3 H 1 2.388 0.009 . 2 . . . . 31 GLN HG3 . 25802 1 96 . 1 1 10 10 GLN HE21 H 1 7.279 0.002 . 2 . . . . 31 GLN HE21 . 25802 1 97 . 1 1 10 10 GLN HE22 H 1 7.199 0.005 . 2 . . . . 31 GLN HE22 . 25802 1 98 . 1 1 10 10 GLN C C 13 175.394 0.001 . 1 . . . . 31 GLN C . 25802 1 99 . 1 1 10 10 GLN CA C 13 55.570 0.049 . 1 . . . . 31 GLN CA . 25802 1 100 . 1 1 10 10 GLN CB C 13 30.690 0.054 . 1 . . . . 31 GLN CB . 25802 1 101 . 1 1 10 10 GLN CG C 13 34.111 0.084 . 1 . . . . 31 GLN CG . 25802 1 102 . 1 1 10 10 GLN N N 15 129.042 0.050 . 1 . . . . 31 GLN N . 25802 1 103 . 1 1 10 10 GLN NE2 N 15 111.242 0.190 . 1 . . . . 31 GLN NE2 . 25802 1 104 . 1 1 11 11 PHE H H 1 8.808 0.006 . 1 . . . . 32 PHE H . 25802 1 105 . 1 1 11 11 PHE HA H 1 4.264 0.005 . 1 . . . . 32 PHE HA . 25802 1 106 . 1 1 11 11 PHE HB2 H 1 1.887 0.010 . 2 . . . . 32 PHE HB2 . 25802 1 107 . 1 1 11 11 PHE HB3 H 1 2.240 0.006 . 2 . . . . 32 PHE HB3 . 25802 1 108 . 1 1 11 11 PHE HD1 H 1 6.859 0.005 . 1 . . . . 32 PHE HD1 . 25802 1 109 . 1 1 11 11 PHE HD2 H 1 6.859 0.005 . 1 . . . . 32 PHE HD2 . 25802 1 110 . 1 1 11 11 PHE HE1 H 1 7.033 0.008 . 1 . . . . 32 PHE HE1 . 25802 1 111 . 1 1 11 11 PHE HE2 H 1 7.033 0.008 . 1 . . . . 32 PHE HE2 . 25802 1 112 . 1 1 11 11 PHE HZ H 1 6.947 0.010 . 1 . . . . 32 PHE HZ . 25802 1 113 . 1 1 11 11 PHE C C 13 174.041 0.005 . 1 . . . . 32 PHE C . 25802 1 114 . 1 1 11 11 PHE CA C 13 58.795 0.101 . 1 . . . . 32 PHE CA . 25802 1 115 . 1 1 11 11 PHE CB C 13 40.986 0.108 . 1 . . . . 32 PHE CB . 25802 1 116 . 1 1 11 11 PHE CD1 C 13 132.005 0.090 . 1 . . . . 32 PHE CD1 . 25802 1 117 . 1 1 11 11 PHE CD2 C 13 132.005 0.090 . 1 . . . . 32 PHE CD2 . 25802 1 118 . 1 1 11 11 PHE CE1 C 13 130.486 0.075 . 1 . . . . 32 PHE CE1 . 25802 1 119 . 1 1 11 11 PHE CE2 C 13 130.486 0.075 . 1 . . . . 32 PHE CE2 . 25802 1 120 . 1 1 11 11 PHE CZ C 13 129.160 0.115 . 1 . . . . 32 PHE CZ . 25802 1 121 . 1 1 11 11 PHE N N 15 126.138 0.080 . 1 . . . . 32 PHE N . 25802 1 122 . 1 1 12 12 GLN H H 1 8.556 0.003 . 1 . . . . 33 GLN H . 25802 1 123 . 1 1 12 12 GLN HA H 1 3.329 0.004 . 1 . . . . 33 GLN HA . 25802 1 124 . 1 1 12 12 GLN HB2 H 1 1.758 0.008 . 1 . . . . 33 GLN HB2 . 25802 1 125 . 1 1 12 12 GLN HB3 H 1 1.758 0.008 . 1 . . . . 33 GLN HB3 . 25802 1 126 . 1 1 12 12 GLN HG2 H 1 1.044 0.005 . 2 . . . . 33 GLN HG2 . 25802 1 127 . 1 1 12 12 GLN HG3 H 1 1.541 0.006 . 2 . . . . 33 GLN HG3 . 25802 1 128 . 1 1 12 12 GLN HE21 H 1 7.011 0.005 . 2 . . . . 33 GLN HE21 . 25802 1 129 . 1 1 12 12 GLN HE22 H 1 6.710 0.004 . 2 . . . . 33 GLN HE22 . 25802 1 130 . 1 1 12 12 GLN C C 13 174.822 0.000 . 1 . . . . 33 GLN C . 25802 1 131 . 1 1 12 12 GLN CA C 13 57.850 0.066 . 1 . . . . 33 GLN CA . 25802 1 132 . 1 1 12 12 GLN CB C 13 25.571 0.048 . 1 . . . . 33 GLN CB . 25802 1 133 . 1 1 12 12 GLN CG C 13 33.497 0.071 . 1 . . . . 33 GLN CG . 25802 1 134 . 1 1 12 12 GLN N N 15 124.691 0.087 . 1 . . . . 33 GLN N . 25802 1 135 . 1 1 12 12 GLN NE2 N 15 110.037 0.172 . 1 . . . . 33 GLN NE2 . 25802 1 136 . 1 1 13 13 ASP HA H 1 4.723 0.007 . 1 . . . . 34 ASP HA . 25802 1 137 . 1 1 13 13 ASP HB2 H 1 2.828 0.005 . 1 . . . . 34 ASP HB2 . 25802 1 138 . 1 1 13 13 ASP HB3 H 1 2.828 0.005 . 1 . . . . 34 ASP HB3 . 25802 1 139 . 1 1 13 13 ASP C C 13 175.421 0.004 . 1 . . . . 34 ASP C . 25802 1 140 . 1 1 13 13 ASP CA C 13 54.490 0.052 . 1 . . . . 34 ASP CA . 25802 1 141 . 1 1 13 13 ASP CB C 13 40.685 0.079 . 1 . . . . 34 ASP CB . 25802 1 142 . 1 1 14 14 SER H H 1 8.220 0.008 . 1 . . . . 35 SER H . 25802 1 143 . 1 1 14 14 SER HA H 1 5.192 0.006 . 1 . . . . 35 SER HA . 25802 1 144 . 1 1 14 14 SER HB2 H 1 3.431 0.014 . 2 . . . . 35 SER HB2 . 25802 1 145 . 1 1 14 14 SER HB3 H 1 3.840 0.008 . 2 . . . . 35 SER HB3 . 25802 1 146 . 1 1 14 14 SER C C 13 171.212 0.008 . 1 . . . . 35 SER C . 25802 1 147 . 1 1 14 14 SER CA C 13 58.721 0.052 . 1 . . . . 35 SER CA . 25802 1 148 . 1 1 14 14 SER CB C 13 67.244 0.063 . 1 . . . . 35 SER CB . 25802 1 149 . 1 1 14 14 SER N N 15 114.624 0.062 . 1 . . . . 35 SER N . 25802 1 150 . 1 1 15 15 CYS H H 1 8.805 0.005 . 1 . . . . 36 CYS H . 25802 1 151 . 1 1 15 15 CYS HA H 1 5.698 0.018 . 1 . . . . 36 CYS HA . 25802 1 152 . 1 1 15 15 CYS HB2 H 1 2.866 0.007 . 2 . . . . 36 CYS HB2 . 25802 1 153 . 1 1 15 15 CYS HB3 H 1 3.038 0.005 . 2 . . . . 36 CYS HB3 . 25802 1 154 . 1 1 15 15 CYS C C 13 173.321 0.002 . 1 . . . . 36 CYS C . 25802 1 155 . 1 1 15 15 CYS CA C 13 55.458 0.079 . 1 . . . . 36 CYS CA . 25802 1 156 . 1 1 15 15 CYS CB C 13 47.172 0.049 . 1 . . . . 36 CYS CB . 25802 1 157 . 1 1 15 15 CYS N N 15 118.624 0.078 . 1 . . . . 36 CYS N . 25802 1 158 . 1 1 16 16 TYR H H 1 10.066 0.009 . 1 . . . . 37 TYR H . 25802 1 159 . 1 1 16 16 TYR HA H 1 5.756 0.010 . 1 . . . . 37 TYR HA . 25802 1 160 . 1 1 16 16 TYR HB2 H 1 3.134 0.013 . 2 . . . . 37 TYR HB2 . 25802 1 161 . 1 1 16 16 TYR HB3 H 1 3.291 0.008 . 2 . . . . 37 TYR HB3 . 25802 1 162 . 1 1 16 16 TYR HD1 H 1 7.326 0.007 . 1 . . . . 37 TYR HD1 . 25802 1 163 . 1 1 16 16 TYR HD2 H 1 7.326 0.007 . 1 . . . . 37 TYR HD2 . 25802 1 164 . 1 1 16 16 TYR HE1 H 1 7.034 0.006 . 1 . . . . 37 TYR HE1 . 25802 1 165 . 1 1 16 16 TYR HE2 H 1 7.034 0.006 . 1 . . . . 37 TYR HE2 . 25802 1 166 . 1 1 16 16 TYR C C 13 174.745 0.010 . 1 . . . . 37 TYR C . 25802 1 167 . 1 1 16 16 TYR CA C 13 57.230 0.055 . 1 . . . . 37 TYR CA . 25802 1 168 . 1 1 16 16 TYR CB C 13 42.649 0.114 . 1 . . . . 37 TYR CB . 25802 1 169 . 1 1 16 16 TYR CD1 C 13 133.285 0.110 . 1 . . . . 37 TYR CD1 . 25802 1 170 . 1 1 16 16 TYR CD2 C 13 133.285 0.110 . 1 . . . . 37 TYR CD2 . 25802 1 171 . 1 1 16 16 TYR CE1 C 13 118.214 0.083 . 1 . . . . 37 TYR CE1 . 25802 1 172 . 1 1 16 16 TYR CE2 C 13 118.214 0.083 . 1 . . . . 37 TYR CE2 . 25802 1 173 . 1 1 16 16 TYR N N 15 122.000 0.063 . 1 . . . . 37 TYR N . 25802 1 174 . 1 1 17 17 ILE H H 1 8.516 0.005 . 1 . . . . 38 ILE H . 25802 1 175 . 1 1 17 17 ILE HA H 1 4.420 0.006 . 1 . . . . 38 ILE HA . 25802 1 176 . 1 1 17 17 ILE HB H 1 0.050 0.006 . 1 . . . . 38 ILE HB . 25802 1 177 . 1 1 17 17 ILE HG12 H 1 0.145 0.011 . 2 . . . . 38 ILE HG12 . 25802 1 178 . 1 1 17 17 ILE HG13 H 1 0.910 0.005 . 2 . . . . 38 ILE HG13 . 25802 1 179 . 1 1 17 17 ILE HG21 H 1 -0.469 0.006 . 1 . . . . 38 ILE MG . 25802 1 180 . 1 1 17 17 ILE HG22 H 1 -0.469 0.006 . 1 . . . . 38 ILE MG . 25802 1 181 . 1 1 17 17 ILE HG23 H 1 -0.469 0.006 . 1 . . . . 38 ILE MG . 25802 1 182 . 1 1 17 17 ILE HD11 H 1 -0.289 0.005 . 1 . . . . 38 ILE MD . 25802 1 183 . 1 1 17 17 ILE HD12 H 1 -0.289 0.005 . 1 . . . . 38 ILE MD . 25802 1 184 . 1 1 17 17 ILE HD13 H 1 -0.289 0.005 . 1 . . . . 38 ILE MD . 25802 1 185 . 1 1 17 17 ILE C C 13 170.492 0.003 . 1 . . . . 38 ILE C . 25802 1 186 . 1 1 17 17 ILE CA C 13 59.991 0.060 . 1 . . . . 38 ILE CA . 25802 1 187 . 1 1 17 17 ILE CB C 13 40.928 0.089 . 1 . . . . 38 ILE CB . 25802 1 188 . 1 1 17 17 ILE CG1 C 13 28.364 0.080 . 1 . . . . 38 ILE CG1 . 25802 1 189 . 1 1 17 17 ILE CG2 C 13 15.098 0.063 . 1 . . . . 38 ILE CG2 . 25802 1 190 . 1 1 17 17 ILE CD1 C 13 12.672 0.061 . 1 . . . . 38 ILE CD1 . 25802 1 191 . 1 1 17 17 ILE N N 15 119.904 0.085 . 1 . . . . 38 ILE N . 25802 1 192 . 1 1 18 18 PHE H H 1 7.147 0.011 . 1 . . . . 39 PHE H . 25802 1 193 . 1 1 18 18 PHE HA H 1 5.515 0.005 . 1 . . . . 39 PHE HA . 25802 1 194 . 1 1 18 18 PHE HB2 H 1 2.250 0.002 . 2 . . . . 39 PHE HB2 . 25802 1 195 . 1 1 18 18 PHE HB3 H 1 2.782 0.010 . 2 . . . . 39 PHE HB3 . 25802 1 196 . 1 1 18 18 PHE HD1 H 1 6.716 0.009 . 1 . . . . 39 PHE HD1 . 25802 1 197 . 1 1 18 18 PHE HD2 H 1 6.716 0.009 . 1 . . . . 39 PHE HD2 . 25802 1 198 . 1 1 18 18 PHE HZ H 1 6.984 0.009 . 1 . . . . 39 PHE HZ . 25802 1 199 . 1 1 18 18 PHE C C 13 174.166 0.011 . 1 . . . . 39 PHE C . 25802 1 200 . 1 1 18 18 PHE CA C 13 54.687 0.092 . 1 . . . . 39 PHE CA . 25802 1 201 . 1 1 18 18 PHE CB C 13 39.038 0.089 . 1 . . . . 39 PHE CB . 25802 1 202 . 1 1 18 18 PHE CD1 C 13 131.088 0.117 . 1 . . . . 39 PHE CD1 . 25802 1 203 . 1 1 18 18 PHE CD2 C 13 131.088 0.117 . 1 . . . . 39 PHE CD2 . 25802 1 204 . 1 1 18 18 PHE CZ C 13 128.890 0.145 . 1 . . . . 39 PHE CZ . 25802 1 205 . 1 1 18 18 PHE N N 15 126.863 0.068 . 1 . . . . 39 PHE N . 25802 1 206 . 1 1 19 19 LEU H H 1 8.720 0.007 . 1 . . . . 40 LEU H . 25802 1 207 . 1 1 19 19 LEU HA H 1 4.134 0.007 . 1 . . . . 40 LEU HA . 25802 1 208 . 1 1 19 19 LEU HB2 H 1 1.145 0.004 . 2 . . . . 40 LEU HB2 . 25802 1 209 . 1 1 19 19 LEU HB3 H 1 1.517 0.006 . 2 . . . . 40 LEU HB3 . 25802 1 210 . 1 1 19 19 LEU HG H 1 1.144 0.009 . 1 . . . . 40 LEU HG . 25802 1 211 . 1 1 19 19 LEU HD11 H 1 0.212 0.006 . 2 . . . . 40 LEU MD1 . 25802 1 212 . 1 1 19 19 LEU HD12 H 1 0.212 0.006 . 2 . . . . 40 LEU MD1 . 25802 1 213 . 1 1 19 19 LEU HD13 H 1 0.212 0.006 . 2 . . . . 40 LEU MD1 . 25802 1 214 . 1 1 19 19 LEU HD21 H 1 0.417 0.006 . 2 . . . . 40 LEU MD2 . 25802 1 215 . 1 1 19 19 LEU HD22 H 1 0.417 0.006 . 2 . . . . 40 LEU MD2 . 25802 1 216 . 1 1 19 19 LEU HD23 H 1 0.417 0.006 . 2 . . . . 40 LEU MD2 . 25802 1 217 . 1 1 19 19 LEU C C 13 176.032 0.004 . 1 . . . . 40 LEU C . 25802 1 218 . 1 1 19 19 LEU CA C 13 53.567 0.078 . 1 . . . . 40 LEU CA . 25802 1 219 . 1 1 19 19 LEU CB C 13 42.115 0.089 . 1 . . . . 40 LEU CB . 25802 1 220 . 1 1 19 19 LEU CG C 13 26.018 0.120 . 1 . . . . 40 LEU CG . 25802 1 221 . 1 1 19 19 LEU CD1 C 13 22.406 0.067 . 2 . . . . 40 LEU CD1 . 25802 1 222 . 1 1 19 19 LEU CD2 C 13 26.667 0.081 . 2 . . . . 40 LEU CD2 . 25802 1 223 . 1 1 19 19 LEU N N 15 128.128 0.036 . 1 . . . . 40 LEU N . 25802 1 224 . 1 1 20 20 GLN H H 1 8.468 0.005 . 1 . . . . 41 GLN H . 25802 1 225 . 1 1 20 20 GLN HA H 1 4.232 0.003 . 1 . . . . 41 GLN HA . 25802 1 226 . 1 1 20 20 GLN HB2 H 1 1.772 0.005 . 2 . . . . 41 GLN HB2 . 25802 1 227 . 1 1 20 20 GLN HB3 H 1 2.057 0.003 . 2 . . . . 41 GLN HB3 . 25802 1 228 . 1 1 20 20 GLN HG2 H 1 1.973 0.008 . 2 . . . . 41 GLN HG2 . 25802 1 229 . 1 1 20 20 GLN HG3 H 1 2.053 0.007 . 2 . . . . 41 GLN HG3 . 25802 1 230 . 1 1 20 20 GLN HE21 H 1 7.572 0.004 . 2 . . . . 41 GLN HE21 . 25802 1 231 . 1 1 20 20 GLN HE22 H 1 6.919 0.008 . 2 . . . . 41 GLN HE22 . 25802 1 232 . 1 1 20 20 GLN C C 13 174.833 0.007 . 1 . . . . 41 GLN C . 25802 1 233 . 1 1 20 20 GLN CA C 13 55.383 0.048 . 1 . . . . 41 GLN CA . 25802 1 234 . 1 1 20 20 GLN CB C 13 29.760 0.095 . 1 . . . . 41 GLN CB . 25802 1 235 . 1 1 20 20 GLN CG C 13 34.667 0.119 . 1 . . . . 41 GLN CG . 25802 1 236 . 1 1 20 20 GLN N N 15 124.006 0.079 . 1 . . . . 41 GLN N . 25802 1 237 . 1 1 20 20 GLN NE2 N 15 112.159 0.092 . 1 . . . . 41 GLN NE2 . 25802 1 238 . 1 1 21 21 GLU H H 1 7.714 0.007 . 1 . . . . 42 GLU H . 25802 1 239 . 1 1 21 21 GLU HA H 1 4.264 0.004 . 1 . . . . 42 GLU HA . 25802 1 240 . 1 1 21 21 GLU HB2 H 1 1.777 0.010 . 2 . . . . 42 GLU HB2 . 25802 1 241 . 1 1 21 21 GLU HB3 H 1 1.890 0.010 . 2 . . . . 42 GLU HB3 . 25802 1 242 . 1 1 21 21 GLU HG2 H 1 2.141 0.004 . 1 . . . . 42 GLU HG2 . 25802 1 243 . 1 1 21 21 GLU HG3 H 1 2.141 0.004 . 1 . . . . 42 GLU HG3 . 25802 1 244 . 1 1 21 21 GLU C C 13 175.147 0.007 . 1 . . . . 42 GLU C . 25802 1 245 . 1 1 21 21 GLU CA C 13 55.828 0.094 . 1 . . . . 42 GLU CA . 25802 1 246 . 1 1 21 21 GLU CB C 13 31.123 0.119 . 1 . . . . 42 GLU CB . 25802 1 247 . 1 1 21 21 GLU CG C 13 36.119 0.052 . 1 . . . . 42 GLU CG . 25802 1 248 . 1 1 21 21 GLU N N 15 121.368 0.068 . 1 . . . . 42 GLU N . 25802 1 249 . 1 1 22 22 ALA H H 1 8.378 0.005 . 1 . . . . 43 ALA H . 25802 1 250 . 1 1 22 22 ALA HA H 1 4.595 0.007 . 1 . . . . 43 ALA HA . 25802 1 251 . 1 1 22 22 ALA HB1 H 1 1.311 0.004 . 1 . . . . 43 ALA MB . 25802 1 252 . 1 1 22 22 ALA HB2 H 1 1.311 0.004 . 1 . . . . 43 ALA MB . 25802 1 253 . 1 1 22 22 ALA HB3 H 1 1.311 0.004 . 1 . . . . 43 ALA MB . 25802 1 254 . 1 1 22 22 ALA C C 13 177.213 0.005 . 1 . . . . 43 ALA C . 25802 1 255 . 1 1 22 22 ALA CA C 13 51.935 0.069 . 1 . . . . 43 ALA CA . 25802 1 256 . 1 1 22 22 ALA CB C 13 18.311 0.093 . 1 . . . . 43 ALA CB . 25802 1 257 . 1 1 22 22 ALA N N 15 126.771 0.078 . 1 . . . . 43 ALA N . 25802 1 258 . 1 1 23 23 ILE H H 1 7.900 0.008 . 1 . . . . 44 ILE H . 25802 1 259 . 1 1 23 23 ILE HA H 1 4.400 0.006 . 1 . . . . 44 ILE HA . 25802 1 260 . 1 1 23 23 ILE HB H 1 1.731 0.003 . 1 . . . . 44 ILE HB . 25802 1 261 . 1 1 23 23 ILE HG12 H 1 0.961 0.005 . 2 . . . . 44 ILE HG12 . 25802 1 262 . 1 1 23 23 ILE HG13 H 1 1.335 0.006 . 2 . . . . 44 ILE HG13 . 25802 1 263 . 1 1 23 23 ILE HG21 H 1 0.790 0.007 . 1 . . . . 44 ILE MG . 25802 1 264 . 1 1 23 23 ILE HG22 H 1 0.790 0.007 . 1 . . . . 44 ILE MG . 25802 1 265 . 1 1 23 23 ILE HG23 H 1 0.790 0.007 . 1 . . . . 44 ILE MG . 25802 1 266 . 1 1 23 23 ILE HD11 H 1 0.718 0.005 . 1 . . . . 44 ILE MD . 25802 1 267 . 1 1 23 23 ILE HD12 H 1 0.718 0.005 . 1 . . . . 44 ILE MD . 25802 1 268 . 1 1 23 23 ILE HD13 H 1 0.718 0.005 . 1 . . . . 44 ILE MD . 25802 1 269 . 1 1 23 23 ILE C C 13 174.982 0.006 . 1 . . . . 44 ILE C . 25802 1 270 . 1 1 23 23 ILE CA C 13 59.898 0.096 . 1 . . . . 44 ILE CA . 25802 1 271 . 1 1 23 23 ILE CB C 13 41.268 0.045 . 1 . . . . 44 ILE CB . 25802 1 272 . 1 1 23 23 ILE CG1 C 13 26.438 0.094 . 1 . . . . 44 ILE CG1 . 25802 1 273 . 1 1 23 23 ILE CG2 C 13 17.608 0.087 . 1 . . . . 44 ILE CG2 . 25802 1 274 . 1 1 23 23 ILE CD1 C 13 13.693 0.062 . 1 . . . . 44 ILE CD1 . 25802 1 275 . 1 1 23 23 ILE N N 15 119.500 0.051 . 1 . . . . 44 ILE N . 25802 1 276 . 1 1 24 24 LYS H H 1 8.277 0.004 . 1 . . . . 45 LYS H . 25802 1 277 . 1 1 24 24 LYS HA H 1 4.459 0.005 . 1 . . . . 45 LYS HA . 25802 1 278 . 1 1 24 24 LYS HB2 H 1 1.788 0.011 . 2 . . . . 45 LYS HB2 . 25802 1 279 . 1 1 24 24 LYS HB3 H 1 1.739 0.002 . 2 . . . . 45 LYS HB3 . 25802 1 280 . 1 1 24 24 LYS HG2 H 1 1.346 0.006 . 2 . . . . 45 LYS HG2 . 25802 1 281 . 1 1 24 24 LYS HG3 H 1 1.473 0.010 . 2 . . . . 45 LYS HG3 . 25802 1 282 . 1 1 24 24 LYS HD2 H 1 1.695 0.004 . 1 . . . . 45 LYS HD2 . 25802 1 283 . 1 1 24 24 LYS HD3 H 1 1.695 0.004 . 1 . . . . 45 LYS HD3 . 25802 1 284 . 1 1 24 24 LYS HE2 H 1 2.992 0.006 . 1 . . . . 45 LYS HE2 . 25802 1 285 . 1 1 24 24 LYS HE3 H 1 2.992 0.006 . 1 . . . . 45 LYS HE3 . 25802 1 286 . 1 1 24 24 LYS C C 13 175.823 0.007 . 1 . . . . 45 LYS C . 25802 1 287 . 1 1 24 24 LYS CA C 13 56.234 0.086 . 1 . . . . 45 LYS CA . 25802 1 288 . 1 1 24 24 LYS CB C 13 32.462 0.066 . 1 . . . . 45 LYS CB . 25802 1 289 . 1 1 24 24 LYS CG C 13 24.708 0.041 . 1 . . . . 45 LYS CG . 25802 1 290 . 1 1 24 24 LYS CD C 13 29.024 0.081 . 1 . . . . 45 LYS CD . 25802 1 291 . 1 1 24 24 LYS CE C 13 42.349 0.077 . 1 . . . . 45 LYS CE . 25802 1 292 . 1 1 24 24 LYS N N 15 124.975 0.044 . 1 . . . . 45 LYS N . 25802 1 293 . 1 1 25 25 VAL H H 1 8.133 0.005 . 1 . . . . 46 VAL H . 25802 1 294 . 1 1 25 25 VAL HA H 1 4.444 0.005 . 1 . . . . 46 VAL HA . 25802 1 295 . 1 1 25 25 VAL HB H 1 2.073 0.006 . 1 . . . . 46 VAL HB . 25802 1 296 . 1 1 25 25 VAL HG11 H 1 0.801 0.006 . 2 . . . . 46 VAL MG1 . 25802 1 297 . 1 1 25 25 VAL HG12 H 1 0.801 0.006 . 2 . . . . 46 VAL MG1 . 25802 1 298 . 1 1 25 25 VAL HG13 H 1 0.801 0.006 . 2 . . . . 46 VAL MG1 . 25802 1 299 . 1 1 25 25 VAL HG21 H 1 0.748 0.005 . 2 . . . . 46 VAL MG2 . 25802 1 300 . 1 1 25 25 VAL HG22 H 1 0.748 0.005 . 2 . . . . 46 VAL MG2 . 25802 1 301 . 1 1 25 25 VAL HG23 H 1 0.748 0.005 . 2 . . . . 46 VAL MG2 . 25802 1 302 . 1 1 25 25 VAL C C 13 175.083 0.005 . 1 . . . . 46 VAL C . 25802 1 303 . 1 1 25 25 VAL CA C 13 60.786 0.058 . 1 . . . . 46 VAL CA . 25802 1 304 . 1 1 25 25 VAL CB C 13 34.834 0.085 . 1 . . . . 46 VAL CB . 25802 1 305 . 1 1 25 25 VAL CG1 C 13 22.410 0.033 . 2 . . . . 46 VAL CG1 . 25802 1 306 . 1 1 25 25 VAL CG2 C 13 20.016 0.027 . 2 . . . . 46 VAL CG2 . 25802 1 307 . 1 1 25 25 VAL N N 15 121.130 0.057 . 1 . . . . 46 VAL N . 25802 1 308 . 1 1 26 26 GLU H H 1 9.345 0.006 . 1 . . . . 47 GLU H . 25802 1 309 . 1 1 26 26 GLU HA H 1 4.593 0.009 . 1 . . . . 47 GLU HA . 25802 1 310 . 1 1 26 26 GLU HB2 H 1 2.206 0.009 . 2 . . . . 47 GLU HB2 . 25802 1 311 . 1 1 26 26 GLU HB3 H 1 1.992 0.011 . 2 . . . . 47 GLU HB3 . 25802 1 312 . 1 1 26 26 GLU HG2 H 1 2.224 0.009 . 1 . . . . 47 GLU HG2 . 25802 1 313 . 1 1 26 26 GLU HG3 H 1 2.224 0.009 . 1 . . . . 47 GLU HG3 . 25802 1 314 . 1 1 26 26 GLU C C 13 176.201 0.007 . 1 . . . . 47 GLU C . 25802 1 315 . 1 1 26 26 GLU CA C 13 56.474 0.112 . 1 . . . . 47 GLU CA . 25802 1 316 . 1 1 26 26 GLU CB C 13 31.698 0.067 . 1 . . . . 47 GLU CB . 25802 1 317 . 1 1 26 26 GLU CG C 13 36.786 0.117 . 1 . . . . 47 GLU CG . 25802 1 318 . 1 1 26 26 GLU N N 15 121.800 0.074 . 1 . . . . 47 GLU N . 25802 1 319 . 1 1 27 27 SER H H 1 8.060 0.004 . 1 . . . . 48 SER H . 25802 1 320 . 1 1 27 27 SER HA H 1 4.868 0.006 . 1 . . . . 48 SER HA . 25802 1 321 . 1 1 27 27 SER HB2 H 1 3.973 0.005 . 2 . . . . 48 SER HB2 . 25802 1 322 . 1 1 27 27 SER HB3 H 1 4.269 0.006 . 2 . . . . 48 SER HB3 . 25802 1 323 . 1 1 27 27 SER C C 13 175.060 0.009 . 1 . . . . 48 SER C . 25802 1 324 . 1 1 27 27 SER CA C 13 57.025 0.060 . 1 . . . . 48 SER CA . 25802 1 325 . 1 1 27 27 SER CB C 13 66.534 0.050 . 1 . . . . 48 SER CB . 25802 1 326 . 1 1 27 27 SER N N 15 113.336 0.113 . 1 . . . . 48 SER N . 25802 1 327 . 1 1 28 28 ILE H H 1 9.236 0.005 . 1 . . . . 49 ILE H . 25802 1 328 . 1 1 28 28 ILE HA H 1 4.081 0.004 . 1 . . . . 49 ILE HA . 25802 1 329 . 1 1 28 28 ILE HB H 1 2.106 0.006 . 1 . . . . 49 ILE HB . 25802 1 330 . 1 1 28 28 ILE HG12 H 1 1.672 0.006 . 2 . . . . 49 ILE HG12 . 25802 1 331 . 1 1 28 28 ILE HG13 H 1 1.755 0.006 . 2 . . . . 49 ILE HG13 . 25802 1 332 . 1 1 28 28 ILE HG21 H 1 1.239 0.006 . 1 . . . . 49 ILE MG . 25802 1 333 . 1 1 28 28 ILE HG22 H 1 1.239 0.006 . 1 . . . . 49 ILE MG . 25802 1 334 . 1 1 28 28 ILE HG23 H 1 1.239 0.006 . 1 . . . . 49 ILE MG . 25802 1 335 . 1 1 28 28 ILE HD11 H 1 1.273 0.003 . 1 . . . . 49 ILE MD . 25802 1 336 . 1 1 28 28 ILE HD12 H 1 1.273 0.003 . 1 . . . . 49 ILE MD . 25802 1 337 . 1 1 28 28 ILE HD13 H 1 1.273 0.003 . 1 . . . . 49 ILE MD . 25802 1 338 . 1 1 28 28 ILE C C 13 176.515 0.004 . 1 . . . . 49 ILE C . 25802 1 339 . 1 1 28 28 ILE CA C 13 63.272 0.057 . 1 . . . . 49 ILE CA . 25802 1 340 . 1 1 28 28 ILE CB C 13 37.883 0.062 . 1 . . . . 49 ILE CB . 25802 1 341 . 1 1 28 28 ILE CG1 C 13 29.512 0.075 . 1 . . . . 49 ILE CG1 . 25802 1 342 . 1 1 28 28 ILE CG2 C 13 17.622 0.077 . 1 . . . . 49 ILE CG2 . 25802 1 343 . 1 1 28 28 ILE CD1 C 13 14.269 0.041 . 1 . . . . 49 ILE CD1 . 25802 1 344 . 1 1 28 28 ILE N N 15 122.140 0.089 . 1 . . . . 49 ILE N . 25802 1 345 . 1 1 29 29 GLU H H 1 8.352 0.007 . 1 . . . . 50 GLU H . 25802 1 346 . 1 1 29 29 GLU HA H 1 3.784 0.005 . 1 . . . . 50 GLU HA . 25802 1 347 . 1 1 29 29 GLU HB2 H 1 1.946 0.007 . 1 . . . . 50 GLU HB2 . 25802 1 348 . 1 1 29 29 GLU HB3 H 1 1.946 0.007 . 1 . . . . 50 GLU HB3 . 25802 1 349 . 1 1 29 29 GLU HG2 H 1 2.253 0.004 . 2 . . . . 50 GLU HG2 . 25802 1 350 . 1 1 29 29 GLU HG3 H 1 2.309 0.003 . 2 . . . . 50 GLU HG3 . 25802 1 351 . 1 1 29 29 GLU C C 13 178.160 0.009 . 1 . . . . 50 GLU C . 25802 1 352 . 1 1 29 29 GLU CA C 13 60.222 0.068 . 1 . . . . 50 GLU CA . 25802 1 353 . 1 1 29 29 GLU CB C 13 28.913 0.088 . 1 . . . . 50 GLU CB . 25802 1 354 . 1 1 29 29 GLU CG C 13 36.839 0.092 . 1 . . . . 50 GLU CG . 25802 1 355 . 1 1 29 29 GLU N N 15 122.311 0.037 . 1 . . . . 50 GLU N . 25802 1 356 . 1 1 30 30 ASP H H 1 7.665 0.006 . 1 . . . . 51 ASP H . 25802 1 357 . 1 1 30 30 ASP HA H 1 4.453 0.005 . 1 . . . . 51 ASP HA . 25802 1 358 . 1 1 30 30 ASP HB2 H 1 2.881 0.007 . 2 . . . . 51 ASP HB2 . 25802 1 359 . 1 1 30 30 ASP HB3 H 1 3.028 0.004 . 2 . . . . 51 ASP HB3 . 25802 1 360 . 1 1 30 30 ASP C C 13 178.867 0.006 . 1 . . . . 51 ASP C . 25802 1 361 . 1 1 30 30 ASP CA C 13 57.423 0.046 . 1 . . . . 51 ASP CA . 25802 1 362 . 1 1 30 30 ASP CB C 13 41.683 0.065 . 1 . . . . 51 ASP CB . 25802 1 363 . 1 1 30 30 ASP N N 15 117.532 0.064 . 1 . . . . 51 ASP N . 25802 1 364 . 1 1 31 31 VAL H H 1 7.266 0.005 . 1 . . . . 52 VAL H . 25802 1 365 . 1 1 31 31 VAL HA H 1 3.664 0.005 . 1 . . . . 52 VAL HA . 25802 1 366 . 1 1 31 31 VAL HB H 1 2.391 0.004 . 1 . . . . 52 VAL HB . 25802 1 367 . 1 1 31 31 VAL HG11 H 1 1.025 0.003 . 2 . . . . 52 VAL MG1 . 25802 1 368 . 1 1 31 31 VAL HG12 H 1 1.025 0.003 . 2 . . . . 52 VAL MG1 . 25802 1 369 . 1 1 31 31 VAL HG13 H 1 1.025 0.003 . 2 . . . . 52 VAL MG1 . 25802 1 370 . 1 1 31 31 VAL HG21 H 1 1.120 0.006 . 2 . . . . 52 VAL MG2 . 25802 1 371 . 1 1 31 31 VAL HG22 H 1 1.120 0.006 . 2 . . . . 52 VAL MG2 . 25802 1 372 . 1 1 31 31 VAL HG23 H 1 1.120 0.006 . 2 . . . . 52 VAL MG2 . 25802 1 373 . 1 1 31 31 VAL C C 13 177.803 0.007 . 1 . . . . 52 VAL C . 25802 1 374 . 1 1 31 31 VAL CA C 13 65.884 0.049 . 1 . . . . 52 VAL CA . 25802 1 375 . 1 1 31 31 VAL CB C 13 31.644 0.056 . 1 . . . . 52 VAL CB . 25802 1 376 . 1 1 31 31 VAL CG1 C 13 23.032 0.069 . 2 . . . . 52 VAL CG1 . 25802 1 377 . 1 1 31 31 VAL CG2 C 13 22.693 0.092 . 2 . . . . 52 VAL CG2 . 25802 1 378 . 1 1 31 31 VAL N N 15 119.697 0.069 . 1 . . . . 52 VAL N . 25802 1 379 . 1 1 32 32 ARG H H 1 8.242 0.004 . 1 . . . . 53 ARG H . 25802 1 380 . 1 1 32 32 ARG HA H 1 4.201 0.011 . 1 . . . . 53 ARG HA . 25802 1 381 . 1 1 32 32 ARG HB2 H 1 1.599 0.008 . 1 . . . . 53 ARG HB2 . 25802 1 382 . 1 1 32 32 ARG HB3 H 1 1.599 0.008 . 1 . . . . 53 ARG HB3 . 25802 1 383 . 1 1 32 32 ARG HG2 H 1 1.205 0.008 . 2 . . . . 53 ARG HG2 . 25802 1 384 . 1 1 32 32 ARG HG3 H 1 1.490 0.008 . 2 . . . . 53 ARG HG3 . 25802 1 385 . 1 1 32 32 ARG HD2 H 1 2.661 0.014 . 2 . . . . 53 ARG HD2 . 25802 1 386 . 1 1 32 32 ARG HD3 H 1 3.564 0.010 . 2 . . . . 53 ARG HD3 . 25802 1 387 . 1 1 32 32 ARG HE H 1 8.961 0.005 . 1 . . . . 53 ARG HE . 25802 1 388 . 1 1 32 32 ARG C C 13 179.170 0.009 . 1 . . . . 53 ARG C . 25802 1 389 . 1 1 32 32 ARG CA C 13 60.660 0.023 . 1 . . . . 53 ARG CA . 25802 1 390 . 1 1 32 32 ARG CB C 13 29.402 0.041 . 1 . . . . 53 ARG CB . 25802 1 391 . 1 1 32 32 ARG CG C 13 27.569 0.075 . 1 . . . . 53 ARG CG . 25802 1 392 . 1 1 32 32 ARG CD C 13 43.134 0.042 . 1 . . . . 53 ARG CD . 25802 1 393 . 1 1 32 32 ARG N N 15 120.980 0.076 . 1 . . . . 53 ARG N . 25802 1 394 . 1 1 32 32 ARG NE N 15 87.213 0.051 . 1 . . . . 53 ARG NE . 25802 1 395 . 1 1 33 33 ASN H H 1 8.279 0.006 . 1 . . . . 54 ASN H . 25802 1 396 . 1 1 33 33 ASN HA H 1 4.755 0.008 . 1 . . . . 54 ASN HA . 25802 1 397 . 1 1 33 33 ASN HB2 H 1 2.843 0.002 . 1 . . . . 54 ASN HB2 . 25802 1 398 . 1 1 33 33 ASN HB3 H 1 2.843 0.002 . 1 . . . . 54 ASN HB3 . 25802 1 399 . 1 1 33 33 ASN HD21 H 1 7.614 0.004 . 2 . . . . 54 ASN HD21 . 25802 1 400 . 1 1 33 33 ASN HD22 H 1 6.782 0.002 . 2 . . . . 54 ASN HD22 . 25802 1 401 . 1 1 33 33 ASN C C 13 177.170 0.006 . 1 . . . . 54 ASN C . 25802 1 402 . 1 1 33 33 ASN CA C 13 54.781 0.070 . 1 . . . . 54 ASN CA . 25802 1 403 . 1 1 33 33 ASN CB C 13 38.169 0.066 . 1 . . . . 54 ASN CB . 25802 1 404 . 1 1 33 33 ASN N N 15 116.590 0.063 . 1 . . . . 54 ASN N . 25802 1 405 . 1 1 33 33 ASN ND2 N 15 111.677 0.048 . 1 . . . . 54 ASN ND2 . 25802 1 406 . 1 1 34 34 GLN H H 1 7.535 0.004 . 1 . . . . 55 GLN H . 25802 1 407 . 1 1 34 34 GLN HA H 1 4.187 0.007 . 1 . . . . 55 GLN HA . 25802 1 408 . 1 1 34 34 GLN HB2 H 1 2.163 0.008 . 2 . . . . 55 GLN HB2 . 25802 1 409 . 1 1 34 34 GLN HB3 H 1 2.238 0.009 . 2 . . . . 55 GLN HB3 . 25802 1 410 . 1 1 34 34 GLN HG2 H 1 2.318 0.006 . 2 . . . . 55 GLN HG2 . 25802 1 411 . 1 1 34 34 GLN HG3 H 1 2.502 0.005 . 2 . . . . 55 GLN HG3 . 25802 1 412 . 1 1 34 34 GLN HE21 H 1 7.442 0.008 . 2 . . . . 55 GLN HE21 . 25802 1 413 . 1 1 34 34 GLN HE22 H 1 6.897 0.005 . 2 . . . . 55 GLN HE22 . 25802 1 414 . 1 1 34 34 GLN C C 13 179.019 0.007 . 1 . . . . 55 GLN C . 25802 1 415 . 1 1 34 34 GLN CA C 13 58.970 0.045 . 1 . . . . 55 GLN CA . 25802 1 416 . 1 1 34 34 GLN CB C 13 28.968 0.075 . 1 . . . . 55 GLN CB . 25802 1 417 . 1 1 34 34 GLN CG C 13 34.413 0.105 . 1 . . . . 55 GLN CG . 25802 1 418 . 1 1 34 34 GLN N N 15 117.611 0.053 . 1 . . . . 55 GLN N . 25802 1 419 . 1 1 34 34 GLN NE2 N 15 111.156 0.080 . 1 . . . . 55 GLN NE2 . 25802 1 420 . 1 1 35 35 CYS H H 1 7.395 0.005 . 1 . . . . 56 CYS H . 25802 1 421 . 1 1 35 35 CYS HA H 1 4.666 0.007 . 1 . . . . 56 CYS HA . 25802 1 422 . 1 1 35 35 CYS HB2 H 1 2.485 0.007 . 2 . . . . 56 CYS HB2 . 25802 1 423 . 1 1 35 35 CYS HB3 H 1 2.944 0.008 . 2 . . . . 56 CYS HB3 . 25802 1 424 . 1 1 35 35 CYS C C 13 178.905 0.005 . 1 . . . . 56 CYS C . 25802 1 425 . 1 1 35 35 CYS CA C 13 54.992 0.053 . 1 . . . . 56 CYS CA . 25802 1 426 . 1 1 35 35 CYS CB C 13 35.110 0.074 . 1 . . . . 56 CYS CB . 25802 1 427 . 1 1 35 35 CYS N N 15 113.913 0.088 . 1 . . . . 56 CYS N . 25802 1 428 . 1 1 36 36 THR H H 1 8.902 0.004 . 1 . . . . 57 THR H . 25802 1 429 . 1 1 36 36 THR HA H 1 4.550 0.006 . 1 . . . . 57 THR HA . 25802 1 430 . 1 1 36 36 THR HB H 1 4.382 0.006 . 1 . . . . 57 THR HB . 25802 1 431 . 1 1 36 36 THR HG21 H 1 1.312 0.004 . 1 . . . . 57 THR MG . 25802 1 432 . 1 1 36 36 THR HG22 H 1 1.312 0.004 . 1 . . . . 57 THR MG . 25802 1 433 . 1 1 36 36 THR HG23 H 1 1.312 0.004 . 1 . . . . 57 THR MG . 25802 1 434 . 1 1 36 36 THR C C 13 179.486 0.007 . 1 . . . . 57 THR C . 25802 1 435 . 1 1 36 36 THR CA C 13 66.210 0.071 . 1 . . . . 57 THR CA . 25802 1 436 . 1 1 36 36 THR CB C 13 68.160 0.120 . 1 . . . . 57 THR CB . 25802 1 437 . 1 1 36 36 THR CG2 C 13 21.636 0.090 . 1 . . . . 57 THR CG2 . 25802 1 438 . 1 1 36 36 THR N N 15 119.181 0.056 . 1 . . . . 57 THR N . 25802 1 439 . 1 1 37 37 ASP H H 1 8.466 0.009 . 1 . . . . 58 ASP H . 25802 1 440 . 1 1 37 37 ASP HA H 1 4.511 0.004 . 1 . . . . 58 ASP HA . 25802 1 441 . 1 1 37 37 ASP HB2 H 1 2.447 0.009 . 2 . . . . 58 ASP HB2 . 25802 1 442 . 1 1 37 37 ASP HB3 H 1 2.780 0.005 . 2 . . . . 58 ASP HB3 . 25802 1 443 . 1 1 37 37 ASP C C 13 177.298 0.005 . 1 . . . . 58 ASP C . 25802 1 444 . 1 1 37 37 ASP CA C 13 57.001 0.071 . 1 . . . . 58 ASP CA . 25802 1 445 . 1 1 37 37 ASP CB C 13 40.475 0.088 . 1 . . . . 58 ASP CB . 25802 1 446 . 1 1 37 37 ASP N N 15 124.495 0.072 . 1 . . . . 58 ASP N . 25802 1 447 . 1 1 38 38 HIS H H 1 7.562 0.007 . 1 . . . . 59 HIS H . 25802 1 448 . 1 1 38 38 HIS HA H 1 4.732 0.008 . 1 . . . . 59 HIS HA . 25802 1 449 . 1 1 38 38 HIS HB2 H 1 2.924 0.006 . 2 . . . . 59 HIS HB2 . 25802 1 450 . 1 1 38 38 HIS HB3 H 1 3.796 0.007 . 2 . . . . 59 HIS HB3 . 25802 1 451 . 1 1 38 38 HIS HD2 H 1 7.536 0.005 . 1 . . . . 59 HIS HD2 . 25802 1 452 . 1 1 38 38 HIS HE1 H 1 8.372 0.010 . 1 . . . . 59 HIS HE1 . 25802 1 453 . 1 1 38 38 HIS C C 13 174.618 0.004 . 1 . . . . 59 HIS C . 25802 1 454 . 1 1 38 38 HIS CA C 13 56.144 0.057 . 1 . . . . 59 HIS CA . 25802 1 455 . 1 1 38 38 HIS CB C 13 29.431 0.124 . 1 . . . . 59 HIS CB . 25802 1 456 . 1 1 38 38 HIS CD2 C 13 121.009 0.159 . 1 . . . . 59 HIS CD2 . 25802 1 457 . 1 1 38 38 HIS CE1 C 13 137.712 0.065 . 1 . . . . 59 HIS CE1 . 25802 1 458 . 1 1 38 38 HIS N N 15 115.366 0.085 . 1 . . . . 59 HIS N . 25802 1 459 . 1 1 39 39 GLY H H 1 8.048 0.004 . 1 . . . . 60 GLY H . 25802 1 460 . 1 1 39 39 GLY HA2 H 1 3.957 0.005 . 2 . . . . 60 GLY HA2 . 25802 1 461 . 1 1 39 39 GLY HA3 H 1 4.038 0.005 . 2 . . . . 60 GLY HA3 . 25802 1 462 . 1 1 39 39 GLY C C 13 173.509 0.003 . 1 . . . . 60 GLY C . 25802 1 463 . 1 1 39 39 GLY CA C 13 46.539 0.064 . 1 . . . . 60 GLY CA . 25802 1 464 . 1 1 39 39 GLY N N 15 108.016 0.056 . 1 . . . . 60 GLY N . 25802 1 465 . 1 1 40 40 ALA H H 1 7.778 0.006 . 1 . . . . 61 ALA H . 25802 1 466 . 1 1 40 40 ALA HA H 1 4.963 0.007 . 1 . . . . 61 ALA HA . 25802 1 467 . 1 1 40 40 ALA HB1 H 1 1.447 0.006 . 1 . . . . 61 ALA MB . 25802 1 468 . 1 1 40 40 ALA HB2 H 1 1.447 0.006 . 1 . . . . 61 ALA MB . 25802 1 469 . 1 1 40 40 ALA HB3 H 1 1.447 0.006 . 1 . . . . 61 ALA MB . 25802 1 470 . 1 1 40 40 ALA C C 13 174.027 0.016 . 1 . . . . 61 ALA C . 25802 1 471 . 1 1 40 40 ALA CA C 13 49.914 0.074 . 1 . . . . 61 ALA CA . 25802 1 472 . 1 1 40 40 ALA CB C 13 23.184 0.035 . 1 . . . . 61 ALA CB . 25802 1 473 . 1 1 40 40 ALA N N 15 122.033 0.046 . 1 . . . . 61 ALA N . 25802 1 474 . 1 1 41 41 ASP H H 1 8.447 0.005 . 1 . . . . 62 ASP H . 25802 1 475 . 1 1 41 41 ASP HA H 1 4.882 0.005 . 1 . . . . 62 ASP HA . 25802 1 476 . 1 1 41 41 ASP HB2 H 1 2.515 0.011 . 2 . . . . 62 ASP HB2 . 25802 1 477 . 1 1 41 41 ASP HB3 H 1 3.078 0.011 . 2 . . . . 62 ASP HB3 . 25802 1 478 . 1 1 41 41 ASP C C 13 176.189 0.008 . 1 . . . . 62 ASP C . 25802 1 479 . 1 1 41 41 ASP CA C 13 51.943 0.093 . 1 . . . . 62 ASP CA . 25802 1 480 . 1 1 41 41 ASP CB C 13 44.258 0.111 . 1 . . . . 62 ASP CB . 25802 1 481 . 1 1 41 41 ASP N N 15 117.291 0.053 . 1 . . . . 62 ASP N . 25802 1 482 . 1 1 42 42 MET H H 1 10.654 0.005 . 1 . . . . 63 MET H . 25802 1 483 . 1 1 42 42 MET HA H 1 4.770 0.009 . 1 . . . . 63 MET HA . 25802 1 484 . 1 1 42 42 MET HB2 H 1 1.885 0.008 . 2 . . . . 63 MET HB2 . 25802 1 485 . 1 1 42 42 MET HB3 H 1 2.597 0.008 . 2 . . . . 63 MET HB3 . 25802 1 486 . 1 1 42 42 MET HG2 H 1 2.604 0.008 . 2 . . . . 63 MET HG2 . 25802 1 487 . 1 1 42 42 MET HG3 H 1 3.573 0.004 . 2 . . . . 63 MET HG3 . 25802 1 488 . 1 1 42 42 MET HE1 H 1 2.088 0.005 . 1 . . . . 63 MET ME . 25802 1 489 . 1 1 42 42 MET HE2 H 1 2.088 0.005 . 1 . . . . 63 MET ME . 25802 1 490 . 1 1 42 42 MET HE3 H 1 2.088 0.005 . 1 . . . . 63 MET ME . 25802 1 491 . 1 1 42 42 MET C C 13 177.888 0.005 . 1 . . . . 63 MET C . 25802 1 492 . 1 1 42 42 MET CA C 13 57.664 0.038 . 1 . . . . 63 MET CA . 25802 1 493 . 1 1 42 42 MET CB C 13 37.177 0.068 . 1 . . . . 63 MET CB . 25802 1 494 . 1 1 42 42 MET CG C 13 34.824 0.165 . 1 . . . . 63 MET CG . 25802 1 495 . 1 1 42 42 MET CE C 13 17.751 0.041 . 1 . . . . 63 MET CE . 25802 1 496 . 1 1 42 42 MET N N 15 121.098 0.060 . 1 . . . . 63 MET N . 25802 1 497 . 1 1 43 43 ILE H H 1 8.253 0.004 . 1 . . . . 64 ILE H . 25802 1 498 . 1 1 43 43 ILE HA H 1 3.801 0.006 . 1 . . . . 64 ILE HA . 25802 1 499 . 1 1 43 43 ILE HB H 1 1.757 0.006 . 1 . . . . 64 ILE HB . 25802 1 500 . 1 1 43 43 ILE HG12 H 1 1.282 0.008 . 2 . . . . 64 ILE HG12 . 25802 1 501 . 1 1 43 43 ILE HG13 H 1 1.348 0.006 . 2 . . . . 64 ILE HG13 . 25802 1 502 . 1 1 43 43 ILE HG21 H 1 1.093 0.003 . 1 . . . . 64 ILE MG . 25802 1 503 . 1 1 43 43 ILE HG22 H 1 1.093 0.003 . 1 . . . . 64 ILE MG . 25802 1 504 . 1 1 43 43 ILE HG23 H 1 1.093 0.003 . 1 . . . . 64 ILE MG . 25802 1 505 . 1 1 43 43 ILE HD11 H 1 1.027 0.004 . 1 . . . . 64 ILE MD . 25802 1 506 . 1 1 43 43 ILE HD12 H 1 1.027 0.004 . 1 . . . . 64 ILE MD . 25802 1 507 . 1 1 43 43 ILE HD13 H 1 1.027 0.004 . 1 . . . . 64 ILE MD . 25802 1 508 . 1 1 43 43 ILE C C 13 172.205 0.034 . 1 . . . . 64 ILE C . 25802 1 509 . 1 1 43 43 ILE CA C 13 62.475 0.061 . 1 . . . . 64 ILE CA . 25802 1 510 . 1 1 43 43 ILE CB C 13 39.848 0.077 . 1 . . . . 64 ILE CB . 25802 1 511 . 1 1 43 43 ILE CG1 C 13 27.867 0.066 . 1 . . . . 64 ILE CG1 . 25802 1 512 . 1 1 43 43 ILE CG2 C 13 19.300 0.067 . 1 . . . . 64 ILE CG2 . 25802 1 513 . 1 1 43 43 ILE CD1 C 13 15.501 0.067 . 1 . . . . 64 ILE CD1 . 25802 1 514 . 1 1 43 43 ILE N N 15 119.548 0.055 . 1 . . . . 64 ILE N . 25802 1 515 . 1 1 44 44 SER H H 1 6.318 0.007 . 1 . . . . 65 SER H . 25802 1 516 . 1 1 44 44 SER HA H 1 2.767 0.006 . 1 . . . . 65 SER HA . 25802 1 517 . 1 1 44 44 SER HB2 H 1 3.166 0.005 . 2 . . . . 65 SER HB2 . 25802 1 518 . 1 1 44 44 SER HB3 H 1 1.145 0.006 . 2 . . . . 65 SER HB3 . 25802 1 519 . 1 1 44 44 SER CA C 13 55.267 0.080 . 1 . . . . 65 SER CA . 25802 1 520 . 1 1 44 44 SER CB C 13 64.704 0.083 . 1 . . . . 65 SER CB . 25802 1 521 . 1 1 44 44 SER N N 15 116.040 0.049 . 1 . . . . 65 SER N . 25802 1 522 . 1 1 45 45 ILE H H 1 5.056 0.007 . 1 . . . . 66 ILE H . 25802 1 523 . 1 1 45 45 ILE HA H 1 4.315 0.006 . 1 . . . . 66 ILE HA . 25802 1 524 . 1 1 45 45 ILE HB H 1 1.945 0.008 . 1 . . . . 66 ILE HB . 25802 1 525 . 1 1 45 45 ILE HG12 H 1 0.683 0.008 . 2 . . . . 66 ILE HG12 . 25802 1 526 . 1 1 45 45 ILE HG13 H 1 1.106 0.011 . 2 . . . . 66 ILE HG13 . 25802 1 527 . 1 1 45 45 ILE HG21 H 1 1.299 0.006 . 1 . . . . 66 ILE MG . 25802 1 528 . 1 1 45 45 ILE HG22 H 1 1.299 0.006 . 1 . . . . 66 ILE MG . 25802 1 529 . 1 1 45 45 ILE HG23 H 1 1.299 0.006 . 1 . . . . 66 ILE MG . 25802 1 530 . 1 1 45 45 ILE HD11 H 1 0.859 0.005 . 1 . . . . 66 ILE MD . 25802 1 531 . 1 1 45 45 ILE HD12 H 1 0.859 0.005 . 1 . . . . 66 ILE MD . 25802 1 532 . 1 1 45 45 ILE HD13 H 1 0.859 0.005 . 1 . . . . 66 ILE MD . 25802 1 533 . 1 1 45 45 ILE C C 13 176.738 0.005 . 1 . . . . 66 ILE C . 25802 1 534 . 1 1 45 45 ILE CA C 13 60.531 0.085 . 1 . . . . 66 ILE CA . 25802 1 535 . 1 1 45 45 ILE CB C 13 41.516 0.048 . 1 . . . . 66 ILE CB . 25802 1 536 . 1 1 45 45 ILE CG1 C 13 27.832 0.041 . 1 . . . . 66 ILE CG1 . 25802 1 537 . 1 1 45 45 ILE CG2 C 13 18.643 0.087 . 1 . . . . 66 ILE CG2 . 25802 1 538 . 1 1 45 45 ILE CD1 C 13 14.410 0.068 . 1 . . . . 66 ILE CD1 . 25802 1 539 . 1 1 45 45 ILE N N 15 117.995 0.070 . 1 . . . . 66 ILE N . 25802 1 540 . 1 1 46 46 HIS H H 1 9.228 0.008 . 1 . . . . 67 HIS H . 25802 1 541 . 1 1 46 46 HIS HA H 1 4.951 0.006 . 1 . . . . 67 HIS HA . 25802 1 542 . 1 1 46 46 HIS HB2 H 1 2.971 0.010 . 2 . . . . 67 HIS HB2 . 25802 1 543 . 1 1 46 46 HIS HB3 H 1 3.672 0.008 . 2 . . . . 67 HIS HB3 . 25802 1 544 . 1 1 46 46 HIS HD2 H 1 7.356 0.010 . 1 . . . . 67 HIS HD2 . 25802 1 545 . 1 1 46 46 HIS HE1 H 1 8.658 0.007 . 1 . . . . 67 HIS HE1 . 25802 1 546 . 1 1 46 46 HIS C C 13 172.572 0.010 . 1 . . . . 67 HIS C . 25802 1 547 . 1 1 46 46 HIS CA C 13 57.044 0.096 . 1 . . . . 67 HIS CA . 25802 1 548 . 1 1 46 46 HIS CB C 13 31.326 0.095 . 1 . . . . 67 HIS CB . 25802 1 549 . 1 1 46 46 HIS CD2 C 13 118.932 0.096 . 1 . . . . 67 HIS CD2 . 25802 1 550 . 1 1 46 46 HIS CE1 C 13 138.177 0.073 . 1 . . . . 67 HIS CE1 . 25802 1 551 . 1 1 46 46 HIS N N 15 121.697 0.086 . 1 . . . . 67 HIS N . 25802 1 552 . 1 1 47 47 ASN H H 1 7.125 0.003 . 1 . . . . 68 ASN H . 25802 1 553 . 1 1 47 47 ASN HA H 1 3.564 0.006 . 1 . . . . 68 ASN HA . 25802 1 554 . 1 1 47 47 ASN HB2 H 1 2.848 0.007 . 2 . . . . 68 ASN HB2 . 25802 1 555 . 1 1 47 47 ASN HB3 H 1 3.218 0.005 . 2 . . . . 68 ASN HB3 . 25802 1 556 . 1 1 47 47 ASN HD21 H 1 7.410 0.006 . 2 . . . . 68 ASN HD21 . 25802 1 557 . 1 1 47 47 ASN HD22 H 1 7.121 0.002 . 2 . . . . 68 ASN HD22 . 25802 1 558 . 1 1 47 47 ASN C C 13 173.604 0.003 . 1 . . . . 68 ASN C . 25802 1 559 . 1 1 47 47 ASN CA C 13 52.279 0.061 . 1 . . . . 68 ASN CA . 25802 1 560 . 1 1 47 47 ASN CB C 13 39.887 0.051 . 1 . . . . 68 ASN CB . 25802 1 561 . 1 1 47 47 ASN N N 15 112.028 0.061 . 1 . . . . 68 ASN N . 25802 1 562 . 1 1 47 47 ASN ND2 N 15 115.198 0.123 . 1 . . . . 68 ASN ND2 . 25802 1 563 . 1 1 48 48 GLU H H 1 8.599 0.004 . 1 . . . . 69 GLU H . 25802 1 564 . 1 1 48 48 GLU HA H 1 3.807 0.005 . 1 . . . . 69 GLU HA . 25802 1 565 . 1 1 48 48 GLU HB2 H 1 1.906 0.007 . 2 . . . . 69 GLU HB2 . 25802 1 566 . 1 1 48 48 GLU HB3 H 1 2.158 0.006 . 2 . . . . 69 GLU HB3 . 25802 1 567 . 1 1 48 48 GLU HG2 H 1 2.317 0.006 . 2 . . . . 69 GLU HG2 . 25802 1 568 . 1 1 48 48 GLU HG3 H 1 2.489 0.007 . 2 . . . . 69 GLU HG3 . 25802 1 569 . 1 1 48 48 GLU C C 13 177.639 0.002 . 1 . . . . 69 GLU C . 25802 1 570 . 1 1 48 48 GLU CA C 13 58.569 0.051 . 1 . . . . 69 GLU CA . 25802 1 571 . 1 1 48 48 GLU CB C 13 29.485 0.100 . 1 . . . . 69 GLU CB . 25802 1 572 . 1 1 48 48 GLU CG C 13 34.902 0.083 . 1 . . . . 69 GLU CG . 25802 1 573 . 1 1 48 48 GLU N N 15 120.495 0.079 . 1 . . . . 69 GLU N . 25802 1 574 . 1 1 49 49 GLU H H 1 8.613 0.005 . 1 . . . . 70 GLU H . 25802 1 575 . 1 1 49 49 GLU HA H 1 4.067 0.004 . 1 . . . . 70 GLU HA . 25802 1 576 . 1 1 49 49 GLU HB2 H 1 2.092 0.010 . 2 . . . . 70 GLU HB2 . 25802 1 577 . 1 1 49 49 GLU HB3 H 1 2.254 0.006 . 2 . . . . 70 GLU HB3 . 25802 1 578 . 1 1 49 49 GLU HG2 H 1 2.368 0.005 . 2 . . . . 70 GLU HG2 . 25802 1 579 . 1 1 49 49 GLU HG3 H 1 2.503 0.004 . 2 . . . . 70 GLU HG3 . 25802 1 580 . 1 1 49 49 GLU C C 13 179.533 0.005 . 1 . . . . 70 GLU C . 25802 1 581 . 1 1 49 49 GLU CA C 13 60.724 0.074 . 1 . . . . 70 GLU CA . 25802 1 582 . 1 1 49 49 GLU CB C 13 28.653 0.071 . 1 . . . . 70 GLU CB . 25802 1 583 . 1 1 49 49 GLU CG C 13 37.821 0.096 . 1 . . . . 70 GLU CG . 25802 1 584 . 1 1 49 49 GLU N N 15 120.070 0.071 . 1 . . . . 70 GLU N . 25802 1 585 . 1 1 50 50 GLU H H 1 8.779 0.005 . 1 . . . . 71 GLU H . 25802 1 586 . 1 1 50 50 GLU HA H 1 3.931 0.008 . 1 . . . . 71 GLU HA . 25802 1 587 . 1 1 50 50 GLU HB2 H 1 2.180 0.009 . 1 . . . . 71 GLU HB2 . 25802 1 588 . 1 1 50 50 GLU HB3 H 1 2.180 0.009 . 1 . . . . 71 GLU HB3 . 25802 1 589 . 1 1 50 50 GLU HG2 H 1 2.345 0.008 . 2 . . . . 71 GLU HG2 . 25802 1 590 . 1 1 50 50 GLU HG3 H 1 2.525 0.005 . 2 . . . . 71 GLU HG3 . 25802 1 591 . 1 1 50 50 GLU C C 13 177.519 0.006 . 1 . . . . 71 GLU C . 25802 1 592 . 1 1 50 50 GLU CA C 13 59.586 0.074 . 1 . . . . 71 GLU CA . 25802 1 593 . 1 1 50 50 GLU CB C 13 30.214 0.081 . 1 . . . . 71 GLU CB . 25802 1 594 . 1 1 50 50 GLU CG C 13 36.247 0.069 . 1 . . . . 71 GLU CG . 25802 1 595 . 1 1 50 50 GLU N N 15 122.998 0.079 . 1 . . . . 71 GLU N . 25802 1 596 . 1 1 51 51 ASN H H 1 7.729 0.004 . 1 . . . . 72 ASN H . 25802 1 597 . 1 1 51 51 ASN HA H 1 4.095 0.010 . 1 . . . . 72 ASN HA . 25802 1 598 . 1 1 51 51 ASN HB2 H 1 2.515 0.007 . 2 . . . . 72 ASN HB2 . 25802 1 599 . 1 1 51 51 ASN HB3 H 1 3.153 0.008 . 2 . . . . 72 ASN HB3 . 25802 1 600 . 1 1 51 51 ASN HD21 H 1 8.125 0.007 . 2 . . . . 72 ASN HD21 . 25802 1 601 . 1 1 51 51 ASN HD22 H 1 6.769 0.006 . 2 . . . . 72 ASN HD22 . 25802 1 602 . 1 1 51 51 ASN C C 13 176.473 0.009 . 1 . . . . 72 ASN C . 25802 1 603 . 1 1 51 51 ASN CA C 13 58.641 0.058 . 1 . . . . 72 ASN CA . 25802 1 604 . 1 1 51 51 ASN CB C 13 41.061 0.086 . 1 . . . . 72 ASN CB . 25802 1 605 . 1 1 51 51 ASN N N 15 120.264 0.076 . 1 . . . . 72 ASN N . 25802 1 606 . 1 1 51 51 ASN ND2 N 15 112.809 0.118 . 1 . . . . 72 ASN ND2 . 25802 1 607 . 1 1 52 52 ALA H H 1 8.661 0.003 . 1 . . . . 73 ALA H . 25802 1 608 . 1 1 52 52 ALA HA H 1 4.028 0.005 . 1 . . . . 73 ALA HA . 25802 1 609 . 1 1 52 52 ALA HB1 H 1 1.525 0.006 . 1 . . . . 73 ALA MB . 25802 1 610 . 1 1 52 52 ALA HB2 H 1 1.525 0.006 . 1 . . . . 73 ALA MB . 25802 1 611 . 1 1 52 52 ALA HB3 H 1 1.525 0.006 . 1 . . . . 73 ALA MB . 25802 1 612 . 1 1 52 52 ALA C C 13 180.121 0.009 . 1 . . . . 73 ALA C . 25802 1 613 . 1 1 52 52 ALA CA C 13 55.228 0.163 . 1 . . . . 73 ALA CA . 25802 1 614 . 1 1 52 52 ALA CB C 13 18.429 0.079 . 1 . . . . 73 ALA CB . 25802 1 615 . 1 1 52 52 ALA N N 15 118.255 0.080 . 1 . . . . 73 ALA N . 25802 1 616 . 1 1 53 53 PHE H H 1 8.049 0.004 . 1 . . . . 74 PHE H . 25802 1 617 . 1 1 53 53 PHE HA H 1 4.061 0.010 . 1 . . . . 74 PHE HA . 25802 1 618 . 1 1 53 53 PHE HB2 H 1 2.308 0.006 . 2 . . . . 74 PHE HB2 . 25802 1 619 . 1 1 53 53 PHE HB3 H 1 2.369 0.005 . 2 . . . . 74 PHE HB3 . 25802 1 620 . 1 1 53 53 PHE HD1 H 1 6.498 0.007 . 1 . . . . 74 PHE HD1 . 25802 1 621 . 1 1 53 53 PHE HD2 H 1 6.498 0.007 . 1 . . . . 74 PHE HD2 . 25802 1 622 . 1 1 53 53 PHE HE1 H 1 6.382 0.011 . 3 . . . . 74 PHE HE1 . 25802 1 623 . 1 1 53 53 PHE HE2 H 1 6.501 0.006 . 3 . . . . 74 PHE HE2 . 25802 1 624 . 1 1 53 53 PHE HZ H 1 6.651 0.009 . 1 . . . . 74 PHE HZ . 25802 1 625 . 1 1 53 53 PHE C C 13 178.324 0.009 . 1 . . . . 74 PHE C . 25802 1 626 . 1 1 53 53 PHE CA C 13 60.419 0.109 . 1 . . . . 74 PHE CA . 25802 1 627 . 1 1 53 53 PHE CB C 13 38.529 0.087 . 1 . . . . 74 PHE CB . 25802 1 628 . 1 1 53 53 PHE CD1 C 13 131.671 0.095 . 1 . . . . 74 PHE CD1 . 25802 1 629 . 1 1 53 53 PHE CD2 C 13 131.671 0.095 . 1 . . . . 74 PHE CD2 . 25802 1 630 . 1 1 53 53 PHE CE1 C 13 130.866 0.168 . 1 . . . . 74 PHE CE1 . 25802 1 631 . 1 1 53 53 PHE CE2 C 13 130.866 0.168 . 1 . . . . 74 PHE CE2 . 25802 1 632 . 1 1 53 53 PHE CZ C 13 128.711 0.052 . 1 . . . . 74 PHE CZ . 25802 1 633 . 1 1 53 53 PHE N N 15 121.319 0.085 . 1 . . . . 74 PHE N . 25802 1 634 . 1 1 54 54 ILE H H 1 8.063 0.003 . 1 . . . . 75 ILE H . 25802 1 635 . 1 1 54 54 ILE HA H 1 2.897 0.007 . 1 . . . . 75 ILE HA . 25802 1 636 . 1 1 54 54 ILE HB H 1 1.960 0.005 . 1 . . . . 75 ILE HB . 25802 1 637 . 1 1 54 54 ILE HG12 H 1 1.159 0.007 . 2 . . . . 75 ILE HG12 . 25802 1 638 . 1 1 54 54 ILE HG13 H 1 1.551 0.004 . 2 . . . . 75 ILE HG13 . 25802 1 639 . 1 1 54 54 ILE HG21 H 1 0.624 0.003 . 1 . . . . 75 ILE MG . 25802 1 640 . 1 1 54 54 ILE HG22 H 1 0.624 0.003 . 1 . . . . 75 ILE MG . 25802 1 641 . 1 1 54 54 ILE HG23 H 1 0.624 0.003 . 1 . . . . 75 ILE MG . 25802 1 642 . 1 1 54 54 ILE HD11 H 1 0.721 0.005 . 1 . . . . 75 ILE MD . 25802 1 643 . 1 1 54 54 ILE HD12 H 1 0.721 0.005 . 1 . . . . 75 ILE MD . 25802 1 644 . 1 1 54 54 ILE HD13 H 1 0.721 0.005 . 1 . . . . 75 ILE MD . 25802 1 645 . 1 1 54 54 ILE C C 13 177.322 0.004 . 1 . . . . 75 ILE C . 25802 1 646 . 1 1 54 54 ILE CA C 13 64.038 0.072 . 1 . . . . 75 ILE CA . 25802 1 647 . 1 1 54 54 ILE CB C 13 36.629 0.089 . 1 . . . . 75 ILE CB . 25802 1 648 . 1 1 54 54 ILE CG1 C 13 28.516 0.080 . 1 . . . . 75 ILE CG1 . 25802 1 649 . 1 1 54 54 ILE CG2 C 13 17.994 0.058 . 1 . . . . 75 ILE CG2 . 25802 1 650 . 1 1 54 54 ILE CD1 C 13 13.166 0.053 . 1 . . . . 75 ILE CD1 . 25802 1 651 . 1 1 54 54 ILE N N 15 123.794 0.087 . 1 . . . . 75 ILE N . 25802 1 652 . 1 1 55 55 LEU H H 1 7.871 0.007 . 1 . . . . 76 LEU H . 25802 1 653 . 1 1 55 55 LEU HA H 1 3.758 0.008 . 1 . . . . 76 LEU HA . 25802 1 654 . 1 1 55 55 LEU HB2 H 1 1.565 0.005 . 2 . . . . 76 LEU HB2 . 25802 1 655 . 1 1 55 55 LEU HB3 H 1 1.801 0.005 . 2 . . . . 76 LEU HB3 . 25802 1 656 . 1 1 55 55 LEU HG H 1 1.860 0.008 . 1 . . . . 76 LEU HG . 25802 1 657 . 1 1 55 55 LEU HD11 H 1 0.898 0.008 . 2 . . . . 76 LEU MD1 . 25802 1 658 . 1 1 55 55 LEU HD12 H 1 0.898 0.008 . 2 . . . . 76 LEU MD1 . 25802 1 659 . 1 1 55 55 LEU HD13 H 1 0.898 0.008 . 2 . . . . 76 LEU MD1 . 25802 1 660 . 1 1 55 55 LEU HD21 H 1 0.953 0.005 . 2 . . . . 76 LEU MD2 . 25802 1 661 . 1 1 55 55 LEU HD22 H 1 0.953 0.005 . 2 . . . . 76 LEU MD2 . 25802 1 662 . 1 1 55 55 LEU HD23 H 1 0.953 0.005 . 2 . . . . 76 LEU MD2 . 25802 1 663 . 1 1 55 55 LEU C C 13 178.425 0.045 . 1 . . . . 76 LEU C . 25802 1 664 . 1 1 55 55 LEU CA C 13 58.600 0.063 . 1 . . . . 76 LEU CA . 25802 1 665 . 1 1 55 55 LEU CB C 13 42.385 0.067 . 1 . . . . 76 LEU CB . 25802 1 666 . 1 1 55 55 LEU CG C 13 26.965 0.087 . 1 . . . . 76 LEU CG . 25802 1 667 . 1 1 55 55 LEU CD1 C 13 24.808 0.070 . 2 . . . . 76 LEU CD1 . 25802 1 668 . 1 1 55 55 LEU CD2 C 13 25.962 0.096 . 2 . . . . 76 LEU CD2 . 25802 1 669 . 1 1 55 55 LEU N N 15 119.247 0.093 . 1 . . . . 76 LEU N . 25802 1 670 . 1 1 56 56 ASP H H 1 8.152 0.005 . 1 . . . . 77 ASP H . 25802 1 671 . 1 1 56 56 ASP HA H 1 4.169 0.007 . 1 . . . . 77 ASP HA . 25802 1 672 . 1 1 56 56 ASP HB2 H 1 2.416 0.004 . 2 . . . . 77 ASP HB2 . 25802 1 673 . 1 1 56 56 ASP HB3 H 1 2.612 0.007 . 2 . . . . 77 ASP HB3 . 25802 1 674 . 1 1 56 56 ASP C C 13 178.528 0.004 . 1 . . . . 77 ASP C . 25802 1 675 . 1 1 56 56 ASP CA C 13 57.546 0.121 . 1 . . . . 77 ASP CA . 25802 1 676 . 1 1 56 56 ASP CB C 13 41.657 0.062 . 1 . . . . 77 ASP CB . 25802 1 677 . 1 1 56 56 ASP N N 15 117.939 0.053 . 1 . . . . 77 ASP N . 25802 1 678 . 1 1 57 57 THR H H 1 7.725 0.003 . 1 . . . . 78 THR H . 25802 1 679 . 1 1 57 57 THR HA H 1 3.439 0.007 . 1 . . . . 78 THR HA . 25802 1 680 . 1 1 57 57 THR HB H 1 3.263 0.008 . 1 . . . . 78 THR HB . 25802 1 681 . 1 1 57 57 THR HG21 H 1 -0.025 0.005 . 1 . . . . 78 THR MG . 25802 1 682 . 1 1 57 57 THR HG22 H 1 -0.025 0.005 . 1 . . . . 78 THR MG . 25802 1 683 . 1 1 57 57 THR HG23 H 1 -0.025 0.005 . 1 . . . . 78 THR MG . 25802 1 684 . 1 1 57 57 THR C C 13 177.248 0.009 . 1 . . . . 78 THR C . 25802 1 685 . 1 1 57 57 THR CA C 13 66.679 0.084 . 1 . . . . 78 THR CA . 25802 1 686 . 1 1 57 57 THR CB C 13 67.965 0.126 . 1 . . . . 78 THR CB . 25802 1 687 . 1 1 57 57 THR CG2 C 13 20.526 0.047 . 1 . . . . 78 THR CG2 . 25802 1 688 . 1 1 57 57 THR N N 15 115.942 0.070 . 1 . . . . 78 THR N . 25802 1 689 . 1 1 58 58 LEU H H 1 8.261 0.004 . 1 . . . . 79 LEU H . 25802 1 690 . 1 1 58 58 LEU HA H 1 3.994 0.004 . 1 . . . . 79 LEU HA . 25802 1 691 . 1 1 58 58 LEU HB2 H 1 1.302 0.008 . 2 . . . . 79 LEU HB2 . 25802 1 692 . 1 1 58 58 LEU HB3 H 1 1.898 0.011 . 2 . . . . 79 LEU HB3 . 25802 1 693 . 1 1 58 58 LEU HG H 1 1.725 0.008 . 1 . . . . 79 LEU HG . 25802 1 694 . 1 1 58 58 LEU HD11 H 1 0.503 0.006 . 2 . . . . 79 LEU MD1 . 25802 1 695 . 1 1 58 58 LEU HD12 H 1 0.503 0.006 . 2 . . . . 79 LEU MD1 . 25802 1 696 . 1 1 58 58 LEU HD13 H 1 0.503 0.006 . 2 . . . . 79 LEU MD1 . 25802 1 697 . 1 1 58 58 LEU HD21 H 1 0.650 0.008 . 2 . . . . 79 LEU MD2 . 25802 1 698 . 1 1 58 58 LEU HD22 H 1 0.650 0.008 . 2 . . . . 79 LEU MD2 . 25802 1 699 . 1 1 58 58 LEU HD23 H 1 0.650 0.008 . 2 . . . . 79 LEU MD2 . 25802 1 700 . 1 1 58 58 LEU C C 13 177.962 0.008 . 1 . . . . 79 LEU C . 25802 1 701 . 1 1 58 58 LEU CA C 13 57.840 0.070 . 1 . . . . 79 LEU CA . 25802 1 702 . 1 1 58 58 LEU CB C 13 41.719 0.058 . 1 . . . . 79 LEU CB . 25802 1 703 . 1 1 58 58 LEU CG C 13 27.165 0.075 . 1 . . . . 79 LEU CG . 25802 1 704 . 1 1 58 58 LEU CD1 C 13 23.416 0.036 . 2 . . . . 79 LEU CD1 . 25802 1 705 . 1 1 58 58 LEU CD2 C 13 27.189 0.069 . 2 . . . . 79 LEU CD2 . 25802 1 706 . 1 1 58 58 LEU N N 15 122.778 0.101 . 1 . . . . 79 LEU N . 25802 1 707 . 1 1 59 59 LYS H H 1 7.710 0.007 . 1 . . . . 80 LYS H . 25802 1 708 . 1 1 59 59 LYS HA H 1 4.056 0.004 . 1 . . . . 80 LYS HA . 25802 1 709 . 1 1 59 59 LYS HB2 H 1 1.834 0.008 . 2 . . . . 80 LYS HB2 . 25802 1 710 . 1 1 59 59 LYS HB3 H 1 1.805 0.008 . 2 . . . . 80 LYS HB3 . 25802 1 711 . 1 1 59 59 LYS HG2 H 1 1.326 0.004 . 2 . . . . 80 LYS HG2 . 25802 1 712 . 1 1 59 59 LYS HG3 H 1 1.579 0.007 . 2 . . . . 80 LYS HG3 . 25802 1 713 . 1 1 59 59 LYS HD2 H 1 1.603 0.009 . 1 . . . . 80 LYS HD2 . 25802 1 714 . 1 1 59 59 LYS HD3 H 1 1.603 0.009 . 1 . . . . 80 LYS HD3 . 25802 1 715 . 1 1 59 59 LYS HE2 H 1 2.851 0.007 . 1 . . . . 80 LYS HE2 . 25802 1 716 . 1 1 59 59 LYS HE3 H 1 2.851 0.007 . 1 . . . . 80 LYS HE3 . 25802 1 717 . 1 1 59 59 LYS C C 13 178.059 0.009 . 1 . . . . 80 LYS C . 25802 1 718 . 1 1 59 59 LYS CA C 13 58.702 0.085 . 1 . . . . 80 LYS CA . 25802 1 719 . 1 1 59 59 LYS CB C 13 32.905 0.095 . 1 . . . . 80 LYS CB . 25802 1 720 . 1 1 59 59 LYS CG C 13 25.690 0.099 . 1 . . . . 80 LYS CG . 25802 1 721 . 1 1 59 59 LYS CD C 13 29.502 0.102 . 1 . . . . 80 LYS CD . 25802 1 722 . 1 1 59 59 LYS CE C 13 42.259 0.069 . 1 . . . . 80 LYS CE . 25802 1 723 . 1 1 59 59 LYS N N 15 116.989 0.120 . 1 . . . . 80 LYS N . 25802 1 724 . 1 1 60 60 LYS H H 1 7.528 0.005 . 1 . . . . 81 LYS H . 25802 1 725 . 1 1 60 60 LYS HA H 1 4.235 0.008 . 1 . . . . 81 LYS HA . 25802 1 726 . 1 1 60 60 LYS HB2 H 1 1.729 0.009 . 2 . . . . 81 LYS HB2 . 25802 1 727 . 1 1 60 60 LYS HB3 H 1 1.785 0.007 . 2 . . . . 81 LYS HB3 . 25802 1 728 . 1 1 60 60 LYS HG2 H 1 1.315 0.007 . 2 . . . . 81 LYS HG2 . 25802 1 729 . 1 1 60 60 LYS HG3 H 1 1.420 0.015 . 2 . . . . 81 LYS HG3 . 25802 1 730 . 1 1 60 60 LYS HD2 H 1 1.584 0.009 . 1 . . . . 81 LYS HD2 . 25802 1 731 . 1 1 60 60 LYS HD3 H 1 1.584 0.009 . 1 . . . . 81 LYS HD3 . 25802 1 732 . 1 1 60 60 LYS HE2 H 1 2.896 0.006 . 1 . . . . 81 LYS HE2 . 25802 1 733 . 1 1 60 60 LYS HE3 H 1 2.896 0.006 . 1 . . . . 81 LYS HE3 . 25802 1 734 . 1 1 60 60 LYS C C 13 176.984 0.004 . 1 . . . . 81 LYS C . 25802 1 735 . 1 1 60 60 LYS CA C 13 57.864 0.089 . 1 . . . . 81 LYS CA . 25802 1 736 . 1 1 60 60 LYS CB C 13 33.890 0.040 . 1 . . . . 81 LYS CB . 25802 1 737 . 1 1 60 60 LYS CG C 13 25.435 0.109 . 1 . . . . 81 LYS CG . 25802 1 738 . 1 1 60 60 LYS CD C 13 29.144 0.080 . 1 . . . . 81 LYS CD . 25802 1 739 . 1 1 60 60 LYS CE C 13 42.205 0.106 . 1 . . . . 81 LYS CE . 25802 1 740 . 1 1 60 60 LYS N N 15 117.210 0.039 . 1 . . . . 81 LYS N . 25802 1 741 . 1 1 61 61 GLN H H 1 7.973 0.006 . 1 . . . . 82 GLN H . 25802 1 742 . 1 1 61 61 GLN HA H 1 4.328 0.010 . 1 . . . . 82 GLN HA . 25802 1 743 . 1 1 61 61 GLN HB2 H 1 1.595 0.004 . 2 . . . . 82 GLN HB2 . 25802 1 744 . 1 1 61 61 GLN HB3 H 1 1.748 0.005 . 2 . . . . 82 GLN HB3 . 25802 1 745 . 1 1 61 61 GLN HG2 H 1 2.026 0.007 . 2 . . . . 82 GLN HG2 . 25802 1 746 . 1 1 61 61 GLN HG3 H 1 2.087 0.006 . 2 . . . . 82 GLN HG3 . 25802 1 747 . 1 1 61 61 GLN HE21 H 1 7.277 0.005 . 2 . . . . 82 GLN HE21 . 25802 1 748 . 1 1 61 61 GLN HE22 H 1 6.647 0.007 . 2 . . . . 82 GLN HE22 . 25802 1 749 . 1 1 61 61 GLN C C 13 176.174 0.006 . 1 . . . . 82 GLN C . 25802 1 750 . 1 1 61 61 GLN CA C 13 57.458 0.063 . 1 . . . . 82 GLN CA . 25802 1 751 . 1 1 61 61 GLN CB C 13 29.955 0.068 . 1 . . . . 82 GLN CB . 25802 1 752 . 1 1 61 61 GLN CG C 13 33.460 0.108 . 1 . . . . 82 GLN CG . 25802 1 753 . 1 1 61 61 GLN N N 15 117.770 0.077 . 1 . . . . 82 GLN N . 25802 1 754 . 1 1 61 61 GLN NE2 N 15 110.723 0.134 . 1 . . . . 82 GLN NE2 . 25802 1 755 . 1 1 62 62 TRP H H 1 8.015 0.009 . 1 . . . . 83 TRP H . 25802 1 756 . 1 1 62 62 TRP HA H 1 4.793 0.008 . 1 . . . . 83 TRP HA . 25802 1 757 . 1 1 62 62 TRP HB2 H 1 2.821 0.007 . 1 . . . . 83 TRP HB2 . 25802 1 758 . 1 1 62 62 TRP HB3 H 1 2.821 0.007 . 1 . . . . 83 TRP HB3 . 25802 1 759 . 1 1 62 62 TRP HD1 H 1 6.993 0.005 . 1 . . . . 83 TRP HD1 . 25802 1 760 . 1 1 62 62 TRP HE1 H 1 10.419 0.023 . 1 . . . . 83 TRP HE1 . 25802 1 761 . 1 1 62 62 TRP HE3 H 1 7.071 0.006 . 1 . . . . 83 TRP HE3 . 25802 1 762 . 1 1 62 62 TRP HZ2 H 1 7.382 0.006 . 1 . . . . 83 TRP HZ2 . 25802 1 763 . 1 1 62 62 TRP HZ3 H 1 6.762 0.005 . 1 . . . . 83 TRP HZ3 . 25802 1 764 . 1 1 62 62 TRP HH2 H 1 7.173 0.006 . 1 . . . . 83 TRP HH2 . 25802 1 765 . 1 1 62 62 TRP C C 13 174.955 0.000 . 1 . . . . 83 TRP C . 25802 1 766 . 1 1 62 62 TRP CA C 13 56.253 0.118 . 1 . . . . 83 TRP CA . 25802 1 767 . 1 1 62 62 TRP CB C 13 30.082 0.092 . 1 . . . . 83 TRP CB . 25802 1 768 . 1 1 62 62 TRP CD1 C 13 124.089 0.113 . 1 . . . . 83 TRP CD1 . 25802 1 769 . 1 1 62 62 TRP CE3 C 13 120.477 0.166 . 1 . . . . 83 TRP CE3 . 25802 1 770 . 1 1 62 62 TRP CZ2 C 13 114.564 0.126 . 1 . . . . 83 TRP CZ2 . 25802 1 771 . 1 1 62 62 TRP CZ3 C 13 121.208 0.136 . 1 . . . . 83 TRP CZ3 . 25802 1 772 . 1 1 62 62 TRP CH2 C 13 125.860 0.150 . 1 . . . . 83 TRP CH2 . 25802 1 773 . 1 1 62 62 TRP N N 15 120.070 0.134 . 1 . . . . 83 TRP N . 25802 1 774 . 1 1 62 62 TRP NE1 N 15 129.886 0.096 . 1 . . . . 83 TRP NE1 . 25802 1 775 . 1 1 63 63 LYS H H 1 7.859 0.006 . 1 . . . . 84 LYS H . 25802 1 776 . 1 1 63 63 LYS HA H 1 4.189 0.005 . 1 . . . . 84 LYS HA . 25802 1 777 . 1 1 63 63 LYS HB2 H 1 1.711 0.004 . 2 . . . . 84 LYS HB2 . 25802 1 778 . 1 1 63 63 LYS HB3 H 1 1.744 0.008 . 2 . . . . 84 LYS HB3 . 25802 1 779 . 1 1 63 63 LYS HG2 H 1 1.284 0.013 . 1 . . . . 84 LYS HG2 . 25802 1 780 . 1 1 63 63 LYS HG3 H 1 1.284 0.013 . 1 . . . . 84 LYS HG3 . 25802 1 781 . 1 1 63 63 LYS HD2 H 1 1.616 0.008 . 1 . . . . 84 LYS HD2 . 25802 1 782 . 1 1 63 63 LYS HD3 H 1 1.616 0.008 . 1 . . . . 84 LYS HD3 . 25802 1 783 . 1 1 63 63 LYS HE2 H 1 2.951 0.009 . 1 . . . . 84 LYS HE2 . 25802 1 784 . 1 1 63 63 LYS HE3 H 1 2.951 0.009 . 1 . . . . 84 LYS HE3 . 25802 1 785 . 1 1 63 63 LYS C C 13 176.450 0.004 . 1 . . . . 84 LYS C . 25802 1 786 . 1 1 63 63 LYS CA C 13 56.015 0.068 . 1 . . . . 84 LYS CA . 25802 1 787 . 1 1 63 63 LYS CB C 13 31.254 0.069 . 1 . . . . 84 LYS CB . 25802 1 788 . 1 1 63 63 LYS CG C 13 24.490 0.090 . 1 . . . . 84 LYS CG . 25802 1 789 . 1 1 63 63 LYS CD C 13 29.012 0.058 . 1 . . . . 84 LYS CD . 25802 1 790 . 1 1 63 63 LYS CE C 13 42.301 0.058 . 1 . . . . 84 LYS CE . 25802 1 791 . 1 1 63 63 LYS N N 15 120.105 0.091 . 1 . . . . 84 LYS N . 25802 1 792 . 1 1 64 64 GLY H H 1 7.675 0.015 . 1 . . . . 85 GLY H . 25802 1 793 . 1 1 64 64 GLY HA2 H 1 3.554 0.008 . 2 . . . . 85 GLY HA2 . 25802 1 794 . 1 1 64 64 GLY HA3 H 1 4.035 0.013 . 2 . . . . 85 GLY HA3 . 25802 1 795 . 1 1 64 64 GLY C C 13 171.536 0.000 . 1 . . . . 85 GLY C . 25802 1 796 . 1 1 64 64 GLY CA C 13 45.341 0.077 . 1 . . . . 85 GLY CA . 25802 1 797 . 1 1 64 64 GLY N N 15 107.891 0.066 . 1 . . . . 85 GLY N . 25802 1 798 . 1 1 65 65 PRO HA H 1 4.632 0.007 . 1 . . . . 86 PRO HA . 25802 1 799 . 1 1 65 65 PRO HB2 H 1 2.239 0.006 . 2 . . . . 86 PRO HB2 . 25802 1 800 . 1 1 65 65 PRO HB3 H 1 2.399 0.005 . 2 . . . . 86 PRO HB3 . 25802 1 801 . 1 1 65 65 PRO HG2 H 1 2.017 0.006 . 2 . . . . 86 PRO HG2 . 25802 1 802 . 1 1 65 65 PRO HG3 H 1 2.155 0.005 . 2 . . . . 86 PRO HG3 . 25802 1 803 . 1 1 65 65 PRO HD2 H 1 3.559 0.005 . 2 . . . . 86 PRO HD2 . 25802 1 804 . 1 1 65 65 PRO HD3 H 1 3.686 0.005 . 2 . . . . 86 PRO HD3 . 25802 1 805 . 1 1 65 65 PRO C C 13 175.197 0.004 . 1 . . . . 86 PRO C . 25802 1 806 . 1 1 65 65 PRO CA C 13 62.845 0.041 . 1 . . . . 86 PRO CA . 25802 1 807 . 1 1 65 65 PRO CB C 13 32.802 0.041 . 1 . . . . 86 PRO CB . 25802 1 808 . 1 1 65 65 PRO CG C 13 27.097 0.091 . 1 . . . . 86 PRO CG . 25802 1 809 . 1 1 65 65 PRO CD C 13 50.049 0.055 . 1 . . . . 86 PRO CD . 25802 1 810 . 1 1 66 66 ASP H H 1 8.298 0.004 . 1 . . . . 87 ASP H . 25802 1 811 . 1 1 66 66 ASP HA H 1 4.500 0.008 . 1 . . . . 87 ASP HA . 25802 1 812 . 1 1 66 66 ASP HB2 H 1 2.632 0.007 . 1 . . . . 87 ASP HB2 . 25802 1 813 . 1 1 66 66 ASP HB3 H 1 2.632 0.007 . 1 . . . . 87 ASP HB3 . 25802 1 814 . 1 1 66 66 ASP C C 13 175.965 0.008 . 1 . . . . 87 ASP C . 25802 1 815 . 1 1 66 66 ASP CA C 13 56.028 0.096 . 1 . . . . 87 ASP CA . 25802 1 816 . 1 1 66 66 ASP CB C 13 41.813 0.114 . 1 . . . . 87 ASP CB . 25802 1 817 . 1 1 66 66 ASP N N 15 116.689 0.051 . 1 . . . . 87 ASP N . 25802 1 818 . 1 1 67 67 ASP H H 1 7.672 0.006 . 1 . . . . 88 ASP H . 25802 1 819 . 1 1 67 67 ASP HA H 1 5.745 0.008 . 1 . . . . 88 ASP HA . 25802 1 820 . 1 1 67 67 ASP HB2 H 1 2.375 0.008 . 1 . . . . 88 ASP HB2 . 25802 1 821 . 1 1 67 67 ASP HB3 H 1 2.375 0.008 . 1 . . . . 88 ASP HB3 . 25802 1 822 . 1 1 67 67 ASP C C 13 174.993 0.007 . 1 . . . . 88 ASP C . 25802 1 823 . 1 1 67 67 ASP CA C 13 53.548 0.061 . 1 . . . . 88 ASP CA . 25802 1 824 . 1 1 67 67 ASP CB C 13 44.240 0.095 . 1 . . . . 88 ASP CB . 25802 1 825 . 1 1 67 67 ASP N N 15 117.232 0.066 . 1 . . . . 88 ASP N . 25802 1 826 . 1 1 68 68 ILE H H 1 8.631 0.008 . 1 . . . . 89 ILE H . 25802 1 827 . 1 1 68 68 ILE HA H 1 4.836 0.009 . 1 . . . . 89 ILE HA . 25802 1 828 . 1 1 68 68 ILE HB H 1 1.822 0.004 . 1 . . . . 89 ILE HB . 25802 1 829 . 1 1 68 68 ILE HG12 H 1 1.135 0.008 . 2 . . . . 89 ILE HG12 . 25802 1 830 . 1 1 68 68 ILE HG13 H 1 1.459 0.005 . 2 . . . . 89 ILE HG13 . 25802 1 831 . 1 1 68 68 ILE HG21 H 1 0.879 0.005 . 1 . . . . 89 ILE MG . 25802 1 832 . 1 1 68 68 ILE HG22 H 1 0.879 0.005 . 1 . . . . 89 ILE MG . 25802 1 833 . 1 1 68 68 ILE HG23 H 1 0.879 0.005 . 1 . . . . 89 ILE MG . 25802 1 834 . 1 1 68 68 ILE HD11 H 1 0.690 0.005 . 1 . . . . 89 ILE MD . 25802 1 835 . 1 1 68 68 ILE HD12 H 1 0.690 0.005 . 1 . . . . 89 ILE MD . 25802 1 836 . 1 1 68 68 ILE HD13 H 1 0.690 0.005 . 1 . . . . 89 ILE MD . 25802 1 837 . 1 1 68 68 ILE C C 13 174.982 0.001 . 1 . . . . 89 ILE C . 25802 1 838 . 1 1 68 68 ILE CA C 13 58.455 0.073 . 1 . . . . 89 ILE CA . 25802 1 839 . 1 1 68 68 ILE CB C 13 41.387 0.064 . 1 . . . . 89 ILE CB . 25802 1 840 . 1 1 68 68 ILE CG1 C 13 27.546 0.070 . 1 . . . . 89 ILE CG1 . 25802 1 841 . 1 1 68 68 ILE CG2 C 13 18.118 0.064 . 1 . . . . 89 ILE CG2 . 25802 1 842 . 1 1 68 68 ILE CD1 C 13 13.884 0.087 . 1 . . . . 89 ILE CD1 . 25802 1 843 . 1 1 68 68 ILE N N 15 118.656 0.072 . 1 . . . . 89 ILE N . 25802 1 844 . 1 1 69 69 LEU H H 1 8.705 0.004 . 1 . . . . 90 LEU H . 25802 1 845 . 1 1 69 69 LEU HA H 1 3.967 0.004 . 1 . . . . 90 LEU HA . 25802 1 846 . 1 1 69 69 LEU HB2 H 1 1.523 0.005 . 2 . . . . 90 LEU HB2 . 25802 1 847 . 1 1 69 69 LEU HB3 H 1 1.613 0.007 . 2 . . . . 90 LEU HB3 . 25802 1 848 . 1 1 69 69 LEU HG H 1 1.620 0.002 . 1 . . . . 90 LEU HG . 25802 1 849 . 1 1 69 69 LEU HD11 H 1 0.836 0.004 . 2 . . . . 90 LEU MD1 . 25802 1 850 . 1 1 69 69 LEU HD12 H 1 0.836 0.004 . 2 . . . . 90 LEU MD1 . 25802 1 851 . 1 1 69 69 LEU HD13 H 1 0.836 0.004 . 2 . . . . 90 LEU MD1 . 25802 1 852 . 1 1 69 69 LEU HD21 H 1 0.677 0.003 . 2 . . . . 90 LEU MD2 . 25802 1 853 . 1 1 69 69 LEU HD22 H 1 0.677 0.003 . 2 . . . . 90 LEU MD2 . 25802 1 854 . 1 1 69 69 LEU HD23 H 1 0.677 0.003 . 2 . . . . 90 LEU MD2 . 25802 1 855 . 1 1 69 69 LEU C C 13 176.381 0.008 . 1 . . . . 90 LEU C . 25802 1 856 . 1 1 69 69 LEU CA C 13 56.117 0.088 . 1 . . . . 90 LEU CA . 25802 1 857 . 1 1 69 69 LEU CB C 13 43.766 0.089 . 1 . . . . 90 LEU CB . 25802 1 858 . 1 1 69 69 LEU CG C 13 27.116 0.105 . 1 . . . . 90 LEU CG . 25802 1 859 . 1 1 69 69 LEU CD1 C 13 25.205 0.057 . 2 . . . . 90 LEU CD1 . 25802 1 860 . 1 1 69 69 LEU CD2 C 13 26.234 0.072 . 2 . . . . 90 LEU CD2 . 25802 1 861 . 1 1 69 69 LEU N N 15 127.871 0.093 . 1 . . . . 90 LEU N . 25802 1 862 . 1 1 70 70 LEU H H 1 8.533 0.004 . 1 . . . . 91 LEU H . 25802 1 863 . 1 1 70 70 LEU HA H 1 4.397 0.013 . 1 . . . . 91 LEU HA . 25802 1 864 . 1 1 70 70 LEU HB2 H 1 1.095 0.004 . 2 . . . . 91 LEU HB2 . 25802 1 865 . 1 1 70 70 LEU HB3 H 1 1.482 0.006 . 2 . . . . 91 LEU HB3 . 25802 1 866 . 1 1 70 70 LEU HG H 1 1.346 0.004 . 1 . . . . 91 LEU HG . 25802 1 867 . 1 1 70 70 LEU HD11 H 1 0.420 0.006 . 2 . . . . 91 LEU MD1 . 25802 1 868 . 1 1 70 70 LEU HD12 H 1 0.420 0.006 . 2 . . . . 91 LEU MD1 . 25802 1 869 . 1 1 70 70 LEU HD13 H 1 0.420 0.006 . 2 . . . . 91 LEU MD1 . 25802 1 870 . 1 1 70 70 LEU HD21 H 1 -0.522 0.005 . 2 . . . . 91 LEU MD2 . 25802 1 871 . 1 1 70 70 LEU HD22 H 1 -0.522 0.005 . 2 . . . . 91 LEU MD2 . 25802 1 872 . 1 1 70 70 LEU HD23 H 1 -0.522 0.005 . 2 . . . . 91 LEU MD2 . 25802 1 873 . 1 1 70 70 LEU C C 13 178.541 0.009 . 1 . . . . 91 LEU C . 25802 1 874 . 1 1 70 70 LEU CA C 13 52.802 0.117 . 1 . . . . 91 LEU CA . 25802 1 875 . 1 1 70 70 LEU CB C 13 44.517 0.160 . 1 . . . . 91 LEU CB . 25802 1 876 . 1 1 70 70 LEU CG C 13 26.416 0.068 . 1 . . . . 91 LEU CG . 25802 1 877 . 1 1 70 70 LEU CD1 C 13 23.465 0.063 . 2 . . . . 91 LEU CD1 . 25802 1 878 . 1 1 70 70 LEU CD2 C 13 23.568 0.046 . 2 . . . . 91 LEU CD2 . 25802 1 879 . 1 1 70 70 LEU N N 15 121.608 0.065 . 1 . . . . 91 LEU N . 25802 1 880 . 1 1 71 71 GLY H H 1 8.246 0.004 . 1 . . . . 92 GLY H . 25802 1 881 . 1 1 71 71 GLY HA2 H 1 3.697 0.008 . 2 . . . . 92 GLY HA2 . 25802 1 882 . 1 1 71 71 GLY HA3 H 1 4.934 0.009 . 2 . . . . 92 GLY HA3 . 25802 1 883 . 1 1 71 71 GLY C C 13 174.305 0.012 . 1 . . . . 92 GLY C . 25802 1 884 . 1 1 71 71 GLY CA C 13 50.639 0.059 . 1 . . . . 92 GLY CA . 25802 1 885 . 1 1 71 71 GLY N N 15 109.161 0.063 . 1 . . . . 92 GLY N . 25802 1 886 . 1 1 72 72 MET H H 1 8.232 0.005 . 1 . . . . 93 MET H . 25802 1 887 . 1 1 72 72 MET HA H 1 5.295 0.006 . 1 . . . . 93 MET HA . 25802 1 888 . 1 1 72 72 MET HB2 H 1 1.519 0.005 . 2 . . . . 93 MET HB2 . 25802 1 889 . 1 1 72 72 MET HB3 H 1 1.622 0.004 . 2 . . . . 93 MET HB3 . 25802 1 890 . 1 1 72 72 MET HG2 H 1 1.763 0.005 . 1 . . . . 93 MET HG2 . 25802 1 891 . 1 1 72 72 MET HG3 H 1 1.763 0.005 . 1 . . . . 93 MET HG3 . 25802 1 892 . 1 1 72 72 MET HE1 H 1 1.544 0.009 . 1 . . . . 93 MET ME . 25802 1 893 . 1 1 72 72 MET HE2 H 1 1.544 0.009 . 1 . . . . 93 MET ME . 25802 1 894 . 1 1 72 72 MET HE3 H 1 1.544 0.009 . 1 . . . . 93 MET ME . 25802 1 895 . 1 1 72 72 MET C C 13 172.877 0.005 . 1 . . . . 93 MET C . 25802 1 896 . 1 1 72 72 MET CA C 13 53.763 0.046 . 1 . . . . 93 MET CA . 25802 1 897 . 1 1 72 72 MET CB C 13 39.381 0.068 . 1 . . . . 93 MET CB . 25802 1 898 . 1 1 72 72 MET CG C 13 30.827 0.119 . 1 . . . . 93 MET CG . 25802 1 899 . 1 1 72 72 MET CE C 13 19.408 0.130 . 1 . . . . 93 MET CE . 25802 1 900 . 1 1 72 72 MET N N 15 124.962 0.106 . 1 . . . . 93 MET N . 25802 1 901 . 1 1 73 73 PHE H H 1 8.760 0.004 . 1 . . . . 94 PHE H . 25802 1 902 . 1 1 73 73 PHE HA H 1 5.202 0.009 . 1 . . . . 94 PHE HA . 25802 1 903 . 1 1 73 73 PHE HB2 H 1 2.707 0.008 . 2 . . . . 94 PHE HB2 . 25802 1 904 . 1 1 73 73 PHE HB3 H 1 3.094 0.008 . 2 . . . . 94 PHE HB3 . 25802 1 905 . 1 1 73 73 PHE HD1 H 1 6.453 0.009 . 1 . . . . 94 PHE HD1 . 25802 1 906 . 1 1 73 73 PHE HD2 H 1 6.453 0.009 . 1 . . . . 94 PHE HD2 . 25802 1 907 . 1 1 73 73 PHE HE1 H 1 7.104 0.003 . 1 . . . . 94 PHE HE1 . 25802 1 908 . 1 1 73 73 PHE HE2 H 1 7.104 0.003 . 1 . . . . 94 PHE HE2 . 25802 1 909 . 1 1 73 73 PHE HZ H 1 7.300 0.008 . 1 . . . . 94 PHE HZ . 25802 1 910 . 1 1 73 73 PHE C C 13 171.775 0.003 . 1 . . . . 94 PHE C . 25802 1 911 . 1 1 73 73 PHE CA C 13 54.973 0.055 . 1 . . . . 94 PHE CA . 25802 1 912 . 1 1 73 73 PHE CB C 13 42.262 0.085 . 1 . . . . 94 PHE CB . 25802 1 913 . 1 1 73 73 PHE CD1 C 13 132.837 0.090 . 1 . . . . 94 PHE CD1 . 25802 1 914 . 1 1 73 73 PHE CD2 C 13 132.837 0.090 . 1 . . . . 94 PHE CD2 . 25802 1 915 . 1 1 73 73 PHE CE1 C 13 130.568 0.122 . 1 . . . . 94 PHE CE1 . 25802 1 916 . 1 1 73 73 PHE CE2 C 13 130.568 0.122 . 1 . . . . 94 PHE CE2 . 25802 1 917 . 1 1 73 73 PHE CZ C 13 130.401 0.092 . 1 . . . . 94 PHE CZ . 25802 1 918 . 1 1 73 73 PHE N N 15 118.962 0.096 . 1 . . . . 94 PHE N . 25802 1 919 . 1 1 74 74 TYR H H 1 9.228 0.006 . 1 . . . . 95 TYR H . 25802 1 920 . 1 1 74 74 TYR HA H 1 3.910 0.007 . 1 . . . . 95 TYR HA . 25802 1 921 . 1 1 74 74 TYR HB2 H 1 2.252 0.004 . 2 . . . . 95 TYR HB2 . 25802 1 922 . 1 1 74 74 TYR HB3 H 1 2.791 0.007 . 2 . . . . 95 TYR HB3 . 25802 1 923 . 1 1 74 74 TYR HD1 H 1 5.715 0.006 . 1 . . . . 95 TYR HD1 . 25802 1 924 . 1 1 74 74 TYR HD2 H 1 5.715 0.006 . 1 . . . . 95 TYR HD2 . 25802 1 925 . 1 1 74 74 TYR HE1 H 1 6.222 0.014 . 1 . . . . 95 TYR HE1 . 25802 1 926 . 1 1 74 74 TYR HE2 H 1 6.222 0.014 . 1 . . . . 95 TYR HE2 . 25802 1 927 . 1 1 74 74 TYR C C 13 173.780 0.007 . 1 . . . . 95 TYR C . 25802 1 928 . 1 1 74 74 TYR CA C 13 57.942 0.078 . 1 . . . . 95 TYR CA . 25802 1 929 . 1 1 74 74 TYR CB C 13 39.217 0.077 . 1 . . . . 95 TYR CB . 25802 1 930 . 1 1 74 74 TYR CD1 C 13 132.525 0.087 . 1 . . . . 95 TYR CD1 . 25802 1 931 . 1 1 74 74 TYR CD2 C 13 132.525 0.087 . 1 . . . . 95 TYR CD2 . 25802 1 932 . 1 1 74 74 TYR CE1 C 13 116.995 0.101 . 1 . . . . 95 TYR CE1 . 25802 1 933 . 1 1 74 74 TYR CE2 C 13 116.995 0.101 . 1 . . . . 95 TYR CE2 . 25802 1 934 . 1 1 74 74 TYR N N 15 122.512 0.074 . 1 . . . . 95 TYR N . 25802 1 935 . 1 1 75 75 ASP H H 1 8.085 0.003 . 1 . . . . 96 ASP H . 25802 1 936 . 1 1 75 75 ASP HA H 1 4.725 0.012 . 1 . . . . 96 ASP HA . 25802 1 937 . 1 1 75 75 ASP HB2 H 1 2.092 0.006 . 2 . . . . 96 ASP HB2 . 25802 1 938 . 1 1 75 75 ASP HB3 H 1 2.983 0.009 . 2 . . . . 96 ASP HB3 . 25802 1 939 . 1 1 75 75 ASP C C 13 176.130 0.003 . 1 . . . . 96 ASP C . 25802 1 940 . 1 1 75 75 ASP CA C 13 52.362 0.054 . 1 . . . . 96 ASP CA . 25802 1 941 . 1 1 75 75 ASP CB C 13 42.254 0.075 . 1 . . . . 96 ASP CB . 25802 1 942 . 1 1 75 75 ASP N N 15 130.029 0.071 . 1 . . . . 96 ASP N . 25802 1 943 . 1 1 76 76 THR H H 1 8.262 0.002 . 1 . . . . 97 THR H . 25802 1 944 . 1 1 76 76 THR HA H 1 3.767 0.009 . 1 . . . . 97 THR HA . 25802 1 945 . 1 1 76 76 THR HB H 1 4.340 0.007 . 1 . . . . 97 THR HB . 25802 1 946 . 1 1 76 76 THR HG21 H 1 1.434 0.009 . 1 . . . . 97 THR MG . 25802 1 947 . 1 1 76 76 THR HG22 H 1 1.434 0.009 . 1 . . . . 97 THR MG . 25802 1 948 . 1 1 76 76 THR HG23 H 1 1.434 0.009 . 1 . . . . 97 THR MG . 25802 1 949 . 1 1 76 76 THR C C 13 176.515 0.009 . 1 . . . . 97 THR C . 25802 1 950 . 1 1 76 76 THR CA C 13 64.429 0.082 . 1 . . . . 97 THR CA . 25802 1 951 . 1 1 76 76 THR CB C 13 68.737 0.079 . 1 . . . . 97 THR CB . 25802 1 952 . 1 1 76 76 THR CG2 C 13 22.386 0.049 . 1 . . . . 97 THR CG2 . 25802 1 953 . 1 1 76 76 THR N N 15 117.210 0.075 . 1 . . . . 97 THR N . 25802 1 954 . 1 1 77 77 ASP H H 1 8.374 0.003 . 1 . . . . 98 ASP H . 25802 1 955 . 1 1 77 77 ASP HA H 1 4.474 0.002 . 1 . . . . 98 ASP HA . 25802 1 956 . 1 1 77 77 ASP HB2 H 1 2.606 0.004 . 2 . . . . 98 ASP HB2 . 25802 1 957 . 1 1 77 77 ASP HB3 H 1 2.812 0.004 . 2 . . . . 98 ASP HB3 . 25802 1 958 . 1 1 77 77 ASP C C 13 177.185 0.006 . 1 . . . . 98 ASP C . 25802 1 959 . 1 1 77 77 ASP CA C 13 57.341 0.057 . 1 . . . . 98 ASP CA . 25802 1 960 . 1 1 77 77 ASP CB C 13 40.609 0.064 . 1 . . . . 98 ASP CB . 25802 1 961 . 1 1 77 77 ASP N N 15 122.662 0.113 . 1 . . . . 98 ASP N . 25802 1 962 . 1 1 78 78 ASP H H 1 7.343 0.004 . 1 . . . . 99 ASP H . 25802 1 963 . 1 1 78 78 ASP HA H 1 4.580 0.009 . 1 . . . . 99 ASP HA . 25802 1 964 . 1 1 78 78 ASP HB2 H 1 2.404 0.013 . 2 . . . . 99 ASP HB2 . 25802 1 965 . 1 1 78 78 ASP HB3 H 1 2.617 0.014 . 2 . . . . 99 ASP HB3 . 25802 1 966 . 1 1 78 78 ASP C C 13 175.236 0.019 . 1 . . . . 99 ASP C . 25802 1 967 . 1 1 78 78 ASP CA C 13 53.456 0.030 . 1 . . . . 99 ASP CA . 25802 1 968 . 1 1 78 78 ASP CB C 13 41.227 0.140 . 1 . . . . 99 ASP CB . 25802 1 969 . 1 1 78 78 ASP N N 15 117.032 0.035 . 1 . . . . 99 ASP N . 25802 1 970 . 1 1 79 79 ALA H H 1 7.780 0.002 . 1 . . . . 100 ALA H . 25802 1 971 . 1 1 79 79 ALA HA H 1 3.650 0.004 . 1 . . . . 100 ALA HA . 25802 1 972 . 1 1 79 79 ALA HB1 H 1 1.314 0.004 . 1 . . . . 100 ALA MB . 25802 1 973 . 1 1 79 79 ALA HB2 H 1 1.314 0.004 . 1 . . . . 100 ALA MB . 25802 1 974 . 1 1 79 79 ALA HB3 H 1 1.314 0.004 . 1 . . . . 100 ALA MB . 25802 1 975 . 1 1 79 79 ALA C C 13 175.434 0.001 . 1 . . . . 100 ALA C . 25802 1 976 . 1 1 79 79 ALA CA C 13 52.501 0.098 . 1 . . . . 100 ALA CA . 25802 1 977 . 1 1 79 79 ALA CB C 13 16.546 0.106 . 1 . . . . 100 ALA CB . 25802 1 978 . 1 1 79 79 ALA N N 15 123.663 0.035 . 1 . . . . 100 ALA N . 25802 1 979 . 1 1 80 80 SER H H 1 7.042 0.003 . 1 . . . . 101 SER H . 25802 1 980 . 1 1 80 80 SER HA H 1 4.603 0.005 . 1 . . . . 101 SER HA . 25802 1 981 . 1 1 80 80 SER HB2 H 1 3.578 0.005 . 2 . . . . 101 SER HB2 . 25802 1 982 . 1 1 80 80 SER HB3 H 1 3.610 0.008 . 2 . . . . 101 SER HB3 . 25802 1 983 . 1 1 80 80 SER C C 13 172.552 0.001 . 1 . . . . 101 SER C . 25802 1 984 . 1 1 80 80 SER CA C 13 57.020 0.107 . 1 . . . . 101 SER CA . 25802 1 985 . 1 1 80 80 SER CB C 13 66.437 0.047 . 1 . . . . 101 SER CB . 25802 1 986 . 1 1 80 80 SER N N 15 109.766 0.041 . 1 . . . . 101 SER N . 25802 1 987 . 1 1 81 81 PHE H H 1 8.502 0.003 . 1 . . . . 102 PHE H . 25802 1 988 . 1 1 81 81 PHE HA H 1 4.823 0.008 . 1 . . . . 102 PHE HA . 25802 1 989 . 1 1 81 81 PHE HB2 H 1 2.813 0.009 . 2 . . . . 102 PHE HB2 . 25802 1 990 . 1 1 81 81 PHE HB3 H 1 2.979 0.007 . 2 . . . . 102 PHE HB3 . 25802 1 991 . 1 1 81 81 PHE HD1 H 1 7.027 0.006 . 1 . . . . 102 PHE HD1 . 25802 1 992 . 1 1 81 81 PHE HD2 H 1 7.027 0.006 . 1 . . . . 102 PHE HD2 . 25802 1 993 . 1 1 81 81 PHE HE1 H 1 6.985 0.007 . 1 . . . . 102 PHE HE1 . 25802 1 994 . 1 1 81 81 PHE HE2 H 1 6.985 0.007 . 1 . . . . 102 PHE HE2 . 25802 1 995 . 1 1 81 81 PHE HZ H 1 6.782 0.005 . 1 . . . . 102 PHE HZ . 25802 1 996 . 1 1 81 81 PHE C C 13 175.698 0.005 . 1 . . . . 102 PHE C . 25802 1 997 . 1 1 81 81 PHE CA C 13 59.033 0.071 . 1 . . . . 102 PHE CA . 25802 1 998 . 1 1 81 81 PHE CB C 13 41.344 0.080 . 1 . . . . 102 PHE CB . 25802 1 999 . 1 1 81 81 PHE CD1 C 13 132.139 0.203 . 1 . . . . 102 PHE CD1 . 25802 1 1000 . 1 1 81 81 PHE CD2 C 13 132.139 0.203 . 1 . . . . 102 PHE CD2 . 25802 1 1001 . 1 1 81 81 PHE CE1 C 13 131.056 0.131 . 1 . . . . 102 PHE CE1 . 25802 1 1002 . 1 1 81 81 PHE CE2 C 13 131.056 0.131 . 1 . . . . 102 PHE CE2 . 25802 1 1003 . 1 1 81 81 PHE CZ C 13 129.161 0.065 . 1 . . . . 102 PHE CZ . 25802 1 1004 . 1 1 81 81 PHE N N 15 121.019 0.060 . 1 . . . . 102 PHE N . 25802 1 1005 . 1 1 82 82 LYS H H 1 8.493 0.004 . 1 . . . . 103 LYS H . 25802 1 1006 . 1 1 82 82 LYS HA H 1 4.320 0.005 . 1 . . . . 103 LYS HA . 25802 1 1007 . 1 1 82 82 LYS HB2 H 1 0.508 0.007 . 2 . . . . 103 LYS HB2 . 25802 1 1008 . 1 1 82 82 LYS HB3 H 1 1.536 0.004 . 2 . . . . 103 LYS HB3 . 25802 1 1009 . 1 1 82 82 LYS HG2 H 1 1.038 0.005 . 1 . . . . 103 LYS HG2 . 25802 1 1010 . 1 1 82 82 LYS HG3 H 1 1.038 0.005 . 1 . . . . 103 LYS HG3 . 25802 1 1011 . 1 1 82 82 LYS HD2 H 1 1.496 0.009 . 2 . . . . 103 LYS HD2 . 25802 1 1012 . 1 1 82 82 LYS HD3 H 1 1.720 0.006 . 2 . . . . 103 LYS HD3 . 25802 1 1013 . 1 1 82 82 LYS HE2 H 1 2.768 0.003 . 2 . . . . 103 LYS HE2 . 25802 1 1014 . 1 1 82 82 LYS HE3 H 1 2.914 0.005 . 2 . . . . 103 LYS HE3 . 25802 1 1015 . 1 1 82 82 LYS C C 13 175.022 0.004 . 1 . . . . 103 LYS C . 25802 1 1016 . 1 1 82 82 LYS CA C 13 54.132 0.108 . 1 . . . . 103 LYS CA . 25802 1 1017 . 1 1 82 82 LYS CB C 13 36.825 0.077 . 1 . . . . 103 LYS CB . 25802 1 1018 . 1 1 82 82 LYS CG C 13 25.575 0.099 . 1 . . . . 103 LYS CG . 25802 1 1019 . 1 1 82 82 LYS CD C 13 29.422 0.043 . 1 . . . . 103 LYS CD . 25802 1 1020 . 1 1 82 82 LYS CE C 13 42.576 0.114 . 1 . . . . 103 LYS CE . 25802 1 1021 . 1 1 82 82 LYS N N 15 119.330 0.062 . 1 . . . . 103 LYS N . 25802 1 1022 . 1 1 83 83 TRP H H 1 8.593 0.007 . 1 . . . . 104 TRP H . 25802 1 1023 . 1 1 83 83 TRP HA H 1 5.242 0.011 . 1 . . . . 104 TRP HA . 25802 1 1024 . 1 1 83 83 TRP HB2 H 1 3.207 0.010 . 2 . . . . 104 TRP HB2 . 25802 1 1025 . 1 1 83 83 TRP HB3 H 1 3.602 0.010 . 2 . . . . 104 TRP HB3 . 25802 1 1026 . 1 1 83 83 TRP HD1 H 1 7.343 0.005 . 1 . . . . 104 TRP HD1 . 25802 1 1027 . 1 1 83 83 TRP HE1 H 1 10.475 0.008 . 1 . . . . 104 TRP HE1 . 25802 1 1028 . 1 1 83 83 TRP HE3 H 1 7.957 0.007 . 1 . . . . 104 TRP HE3 . 25802 1 1029 . 1 1 83 83 TRP HZ2 H 1 8.042 0.005 . 1 . . . . 104 TRP HZ2 . 25802 1 1030 . 1 1 83 83 TRP HZ3 H 1 6.740 0.009 . 1 . . . . 104 TRP HZ3 . 25802 1 1031 . 1 1 83 83 TRP HH2 H 1 6.200 0.007 . 1 . . . . 104 TRP HH2 . 25802 1 1032 . 1 1 83 83 TRP C C 13 180.169 0.009 . 1 . . . . 104 TRP C . 25802 1 1033 . 1 1 83 83 TRP CA C 13 55.759 0.077 . 1 . . . . 104 TRP CA . 25802 1 1034 . 1 1 83 83 TRP CB C 13 31.667 0.111 . 1 . . . . 104 TRP CB . 25802 1 1035 . 1 1 83 83 TRP CD1 C 13 130.942 0.152 . 1 . . . . 104 TRP CD1 . 25802 1 1036 . 1 1 83 83 TRP CE3 C 13 122.539 0.189 . 1 . . . . 104 TRP CE3 . 25802 1 1037 . 1 1 83 83 TRP CZ2 C 13 114.959 0.125 . 1 . . . . 104 TRP CZ2 . 25802 1 1038 . 1 1 83 83 TRP CZ3 C 13 122.370 0.205 . 1 . . . . 104 TRP CZ3 . 25802 1 1039 . 1 1 83 83 TRP CH2 C 13 122.677 0.171 . 1 . . . . 104 TRP CH2 . 25802 1 1040 . 1 1 83 83 TRP N N 15 119.800 0.069 . 1 . . . . 104 TRP N . 25802 1 1041 . 1 1 83 83 TRP NE1 N 15 130.152 0.085 . 1 . . . . 104 TRP NE1 . 25802 1 1042 . 1 1 84 84 PHE H H 1 9.150 0.005 . 1 . . . . 105 PHE H . 25802 1 1043 . 1 1 84 84 PHE HA H 1 4.651 0.006 . 1 . . . . 105 PHE HA . 25802 1 1044 . 1 1 84 84 PHE HB2 H 1 3.024 0.007 . 2 . . . . 105 PHE HB2 . 25802 1 1045 . 1 1 84 84 PHE HB3 H 1 3.510 0.015 . 2 . . . . 105 PHE HB3 . 25802 1 1046 . 1 1 84 84 PHE HD1 H 1 7.181 0.004 . 1 . . . . 105 PHE HD1 . 25802 1 1047 . 1 1 84 84 PHE HD2 H 1 7.181 0.004 . 1 . . . . 105 PHE HD2 . 25802 1 1048 . 1 1 84 84 PHE HE1 H 1 7.317 0.004 . 1 . . . . 105 PHE HE1 . 25802 1 1049 . 1 1 84 84 PHE HE2 H 1 7.317 0.004 . 1 . . . . 105 PHE HE2 . 25802 1 1050 . 1 1 84 84 PHE HZ H 1 7.304 0.004 . 1 . . . . 105 PHE HZ . 25802 1 1051 . 1 1 84 84 PHE C C 13 176.864 0.005 . 1 . . . . 105 PHE C . 25802 1 1052 . 1 1 84 84 PHE CA C 13 62.177 0.087 . 1 . . . . 105 PHE CA . 25802 1 1053 . 1 1 84 84 PHE CB C 13 39.257 0.113 . 1 . . . . 105 PHE CB . 25802 1 1054 . 1 1 84 84 PHE CD1 C 13 131.207 0.203 . 1 . . . . 105 PHE CD1 . 25802 1 1055 . 1 1 84 84 PHE CD2 C 13 131.207 0.203 . 1 . . . . 105 PHE CD2 . 25802 1 1056 . 1 1 84 84 PHE CE1 C 13 132.129 0.103 . 1 . . . . 105 PHE CE1 . 25802 1 1057 . 1 1 84 84 PHE CE2 C 13 132.129 0.103 . 1 . . . . 105 PHE CE2 . 25802 1 1058 . 1 1 84 84 PHE CZ C 13 129.687 0.129 . 1 . . . . 105 PHE CZ . 25802 1 1059 . 1 1 84 84 PHE N N 15 124.276 0.050 . 1 . . . . 105 PHE N . 25802 1 1060 . 1 1 85 85 ASP H H 1 8.425 0.006 . 1 . . . . 106 ASP H . 25802 1 1061 . 1 1 85 85 ASP HA H 1 4.456 0.003 . 1 . . . . 106 ASP HA . 25802 1 1062 . 1 1 85 85 ASP HB2 H 1 2.578 0.009 . 2 . . . . 106 ASP HB2 . 25802 1 1063 . 1 1 85 85 ASP HB3 H 1 3.220 0.006 . 2 . . . . 106 ASP HB3 . 25802 1 1064 . 1 1 85 85 ASP C C 13 177.210 0.006 . 1 . . . . 106 ASP C . 25802 1 1065 . 1 1 85 85 ASP CA C 13 54.236 0.092 . 1 . . . . 106 ASP CA . 25802 1 1066 . 1 1 85 85 ASP CB C 13 39.495 0.099 . 1 . . . . 106 ASP CB . 25802 1 1067 . 1 1 85 85 ASP N N 15 114.713 0.031 . 1 . . . . 106 ASP N . 25802 1 1068 . 1 1 86 86 ASN H H 1 8.181 0.004 . 1 . . . . 107 ASN H . 25802 1 1069 . 1 1 86 86 ASN HA H 1 4.788 0.006 . 1 . . . . 107 ASN HA . 25802 1 1070 . 1 1 86 86 ASN HB2 H 1 3.114 0.005 . 2 . . . . 107 ASN HB2 . 25802 1 1071 . 1 1 86 86 ASN HB3 H 1 3.244 0.007 . 2 . . . . 107 ASN HB3 . 25802 1 1072 . 1 1 86 86 ASN HD21 H 1 7.581 0.003 . 2 . . . . 107 ASN HD21 . 25802 1 1073 . 1 1 86 86 ASN HD22 H 1 6.913 0.003 . 2 . . . . 107 ASN HD22 . 25802 1 1074 . 1 1 86 86 ASN C C 13 174.822 0.007 . 1 . . . . 107 ASN C . 25802 1 1075 . 1 1 86 86 ASN CA C 13 55.197 0.094 . 1 . . . . 107 ASN CA . 25802 1 1076 . 1 1 86 86 ASN CB C 13 37.856 0.074 . 1 . . . . 107 ASN CB . 25802 1 1077 . 1 1 86 86 ASN N N 15 112.518 0.079 . 1 . . . . 107 ASN N . 25802 1 1078 . 1 1 86 86 ASN ND2 N 15 112.474 0.086 . 1 . . . . 107 ASN ND2 . 25802 1 1079 . 1 1 87 87 SER H H 1 8.540 0.004 . 1 . . . . 108 SER H . 25802 1 1080 . 1 1 87 87 SER HA H 1 4.462 0.006 . 1 . . . . 108 SER HA . 25802 1 1081 . 1 1 87 87 SER HB2 H 1 3.827 0.004 . 2 . . . . 108 SER HB2 . 25802 1 1082 . 1 1 87 87 SER HB3 H 1 3.969 0.005 . 2 . . . . 108 SER HB3 . 25802 1 1083 . 1 1 87 87 SER C C 13 173.899 0.009 . 1 . . . . 108 SER C . 25802 1 1084 . 1 1 87 87 SER CA C 13 58.669 0.053 . 1 . . . . 108 SER CA . 25802 1 1085 . 1 1 87 87 SER CB C 13 63.855 0.093 . 1 . . . . 108 SER CB . 25802 1 1086 . 1 1 87 87 SER N N 15 116.257 0.047 . 1 . . . . 108 SER N . 25802 1 1087 . 1 1 88 88 ASN H H 1 8.703 0.004 . 1 . . . . 109 ASN H . 25802 1 1088 . 1 1 88 88 ASN HA H 1 4.839 0.005 . 1 . . . . 109 ASN HA . 25802 1 1089 . 1 1 88 88 ASN HB2 H 1 2.902 0.003 . 1 . . . . 109 ASN HB2 . 25802 1 1090 . 1 1 88 88 ASN HB3 H 1 2.902 0.003 . 1 . . . . 109 ASN HB3 . 25802 1 1091 . 1 1 88 88 ASN HD21 H 1 7.643 0.001 . 2 . . . . 109 ASN HD21 . 25802 1 1092 . 1 1 88 88 ASN HD22 H 1 7.065 0.003 . 2 . . . . 109 ASN HD22 . 25802 1 1093 . 1 1 88 88 ASN C C 13 175.654 0.032 . 1 . . . . 109 ASN C . 25802 1 1094 . 1 1 88 88 ASN CA C 13 53.981 0.035 . 1 . . . . 109 ASN CA . 25802 1 1095 . 1 1 88 88 ASN CB C 13 39.497 0.052 . 1 . . . . 109 ASN CB . 25802 1 1096 . 1 1 88 88 ASN N N 15 117.757 0.061 . 1 . . . . 109 ASN N . 25802 1 1097 . 1 1 88 88 ASN ND2 N 15 112.940 0.064 . 1 . . . . 109 ASN ND2 . 25802 1 1098 . 1 1 89 89 MET H H 1 9.041 0.007 . 1 . . . . 110 MET H . 25802 1 1099 . 1 1 89 89 MET HA H 1 5.510 0.003 . 1 . . . . 110 MET HA . 25802 1 1100 . 1 1 89 89 MET HB2 H 1 1.994 0.006 . 2 . . . . 110 MET HB2 . 25802 1 1101 . 1 1 89 89 MET HB3 H 1 2.429 0.008 . 2 . . . . 110 MET HB3 . 25802 1 1102 . 1 1 89 89 MET HG2 H 1 2.614 0.009 . 2 . . . . 110 MET HG2 . 25802 1 1103 . 1 1 89 89 MET HG3 H 1 2.738 0.008 . 2 . . . . 110 MET HG3 . 25802 1 1104 . 1 1 89 89 MET HE1 H 1 2.043 0.015 . 1 . . . . 110 MET ME . 25802 1 1105 . 1 1 89 89 MET HE2 H 1 2.043 0.015 . 1 . . . . 110 MET ME . 25802 1 1106 . 1 1 89 89 MET HE3 H 1 2.043 0.015 . 1 . . . . 110 MET ME . 25802 1 1107 . 1 1 89 89 MET CA C 13 54.006 0.075 . 1 . . . . 110 MET CA . 25802 1 1108 . 1 1 89 89 MET CB C 13 30.508 0.107 . 1 . . . . 110 MET CB . 25802 1 1109 . 1 1 89 89 MET CG C 13 31.987 0.085 . 1 . . . . 110 MET CG . 25802 1 1110 . 1 1 89 89 MET CE C 13 16.930 0.098 . 1 . . . . 110 MET CE . 25802 1 1111 . 1 1 89 89 MET N N 15 124.162 0.061 . 1 . . . . 110 MET N . 25802 1 1112 . 1 1 90 90 THR HA H 1 4.699 0.009 . 1 . . . . 111 THR HA . 25802 1 1113 . 1 1 90 90 THR HB H 1 4.583 0.002 . 1 . . . . 111 THR HB . 25802 1 1114 . 1 1 90 90 THR HG21 H 1 1.336 0.003 . 1 . . . . 111 THR MG . 25802 1 1115 . 1 1 90 90 THR HG22 H 1 1.336 0.003 . 1 . . . . 111 THR MG . 25802 1 1116 . 1 1 90 90 THR HG23 H 1 1.336 0.003 . 1 . . . . 111 THR MG . 25802 1 1117 . 1 1 90 90 THR C C 13 173.731 0.000 . 1 . . . . 111 THR C . 25802 1 1118 . 1 1 90 90 THR CA C 13 62.192 0.079 . 1 . . . . 111 THR CA . 25802 1 1119 . 1 1 90 90 THR CB C 13 69.726 0.149 . 1 . . . . 111 THR CB . 25802 1 1120 . 1 1 90 90 THR CG2 C 13 22.602 0.089 . 1 . . . . 111 THR CG2 . 25802 1 1121 . 1 1 91 91 PHE H H 1 8.118 0.006 . 1 . . . . 112 PHE H . 25802 1 1122 . 1 1 91 91 PHE HA H 1 4.712 0.008 . 1 . . . . 112 PHE HA . 25802 1 1123 . 1 1 91 91 PHE HB2 H 1 2.676 0.007 . 2 . . . . 112 PHE HB2 . 25802 1 1124 . 1 1 91 91 PHE HB3 H 1 3.307 0.006 . 2 . . . . 112 PHE HB3 . 25802 1 1125 . 1 1 91 91 PHE HD1 H 1 7.103 0.007 . 1 . . . . 112 PHE HD1 . 25802 1 1126 . 1 1 91 91 PHE HD2 H 1 7.103 0.007 . 1 . . . . 112 PHE HD2 . 25802 1 1127 . 1 1 91 91 PHE HE1 H 1 6.987 0.009 . 1 . . . . 112 PHE HE1 . 25802 1 1128 . 1 1 91 91 PHE HE2 H 1 6.987 0.009 . 1 . . . . 112 PHE HE2 . 25802 1 1129 . 1 1 91 91 PHE C C 13 172.784 0.004 . 1 . . . . 112 PHE C . 25802 1 1130 . 1 1 91 91 PHE CA C 13 57.415 0.034 . 1 . . . . 112 PHE CA . 25802 1 1131 . 1 1 91 91 PHE CB C 13 43.580 0.040 . 1 . . . . 112 PHE CB . 25802 1 1132 . 1 1 91 91 PHE CD1 C 13 131.285 0.089 . 1 . . . . 112 PHE CD1 . 25802 1 1133 . 1 1 91 91 PHE CD2 C 13 131.285 0.089 . 1 . . . . 112 PHE CD2 . 25802 1 1134 . 1 1 91 91 PHE CE1 C 13 128.736 0.106 . 1 . . . . 112 PHE CE1 . 25802 1 1135 . 1 1 91 91 PHE CE2 C 13 128.736 0.106 . 1 . . . . 112 PHE CE2 . 25802 1 1136 . 1 1 91 91 PHE N N 15 123.975 0.088 . 1 . . . . 112 PHE N . 25802 1 1137 . 1 1 92 92 ASP H H 1 6.775 0.004 . 1 . . . . 113 ASP H . 25802 1 1138 . 1 1 92 92 ASP HA H 1 3.336 0.007 . 1 . . . . 113 ASP HA . 25802 1 1139 . 1 1 92 92 ASP HB2 H 1 1.260 0.008 . 2 . . . . 113 ASP HB2 . 25802 1 1140 . 1 1 92 92 ASP HB3 H 1 2.308 0.006 . 2 . . . . 113 ASP HB3 . 25802 1 1141 . 1 1 92 92 ASP C C 13 172.230 0.004 . 1 . . . . 113 ASP C . 25802 1 1142 . 1 1 92 92 ASP CA C 13 52.412 0.036 . 1 . . . . 113 ASP CA . 25802 1 1143 . 1 1 92 92 ASP CB C 13 44.591 0.080 . 1 . . . . 113 ASP CB . 25802 1 1144 . 1 1 92 92 ASP N N 15 120.156 0.049 . 1 . . . . 113 ASP N . 25802 1 1145 . 1 1 93 93 LYS H H 1 2.740 0.006 . 1 . . . . 114 LYS H . 25802 1 1146 . 1 1 93 93 LYS HA H 1 3.812 0.003 . 1 . . . . 114 LYS HA . 25802 1 1147 . 1 1 93 93 LYS HB2 H 1 -0.336 0.006 . 2 . . . . 114 LYS HB2 . 25802 1 1148 . 1 1 93 93 LYS HB3 H 1 1.031 0.004 . 2 . . . . 114 LYS HB3 . 25802 1 1149 . 1 1 93 93 LYS HG2 H 1 0.739 0.004 . 2 . . . . 114 LYS HG2 . 25802 1 1150 . 1 1 93 93 LYS HG3 H 1 0.817 0.009 . 2 . . . . 114 LYS HG3 . 25802 1 1151 . 1 1 93 93 LYS HD2 H 1 1.522 0.004 . 2 . . . . 114 LYS HD2 . 25802 1 1152 . 1 1 93 93 LYS HD3 H 1 1.592 0.006 . 2 . . . . 114 LYS HD3 . 25802 1 1153 . 1 1 93 93 LYS HE2 H 1 2.780 0.006 . 2 . . . . 114 LYS HE2 . 25802 1 1154 . 1 1 93 93 LYS HE3 H 1 2.916 0.006 . 2 . . . . 114 LYS HE3 . 25802 1 1155 . 1 1 93 93 LYS C C 13 175.884 0.000 . 1 . . . . 114 LYS C . 25802 1 1156 . 1 1 93 93 LYS CA C 13 52.919 0.059 . 1 . . . . 114 LYS CA . 25802 1 1157 . 1 1 93 93 LYS CB C 13 30.853 0.073 . 1 . . . . 114 LYS CB . 25802 1 1158 . 1 1 93 93 LYS CG C 13 24.371 0.087 . 1 . . . . 114 LYS CG . 25802 1 1159 . 1 1 93 93 LYS CD C 13 28.523 0.098 . 1 . . . . 114 LYS CD . 25802 1 1160 . 1 1 93 93 LYS CE C 13 41.779 0.079 . 1 . . . . 114 LYS CE . 25802 1 1161 . 1 1 93 93 LYS N N 15 115.787 0.032 . 1 . . . . 114 LYS N . 25802 1 1162 . 1 1 94 94 TRP H H 1 8.247 0.003 . 1 . . . . 115 TRP H . 25802 1 1163 . 1 1 94 94 TRP HA H 1 4.940 0.007 . 1 . . . . 115 TRP HA . 25802 1 1164 . 1 1 94 94 TRP HB2 H 1 2.891 0.006 . 2 . . . . 115 TRP HB2 . 25802 1 1165 . 1 1 94 94 TRP HB3 H 1 3.329 0.007 . 2 . . . . 115 TRP HB3 . 25802 1 1166 . 1 1 94 94 TRP HD1 H 1 7.000 0.006 . 1 . . . . 115 TRP HD1 . 25802 1 1167 . 1 1 94 94 TRP HE1 H 1 10.011 0.015 . 1 . . . . 115 TRP HE1 . 25802 1 1168 . 1 1 94 94 TRP HE3 H 1 7.680 0.007 . 1 . . . . 115 TRP HE3 . 25802 1 1169 . 1 1 94 94 TRP HZ2 H 1 6.623 0.006 . 1 . . . . 115 TRP HZ2 . 25802 1 1170 . 1 1 94 94 TRP HZ3 H 1 6.617 0.009 . 1 . . . . 115 TRP HZ3 . 25802 1 1171 . 1 1 94 94 TRP HH2 H 1 6.388 0.008 . 1 . . . . 115 TRP HH2 . 25802 1 1172 . 1 1 94 94 TRP C C 13 178.457 0.007 . 1 . . . . 115 TRP C . 25802 1 1173 . 1 1 94 94 TRP CA C 13 57.574 0.087 . 1 . . . . 115 TRP CA . 25802 1 1174 . 1 1 94 94 TRP CB C 13 30.217 0.086 . 1 . . . . 115 TRP CB . 25802 1 1175 . 1 1 94 94 TRP CD1 C 13 128.594 0.099 . 1 . . . . 115 TRP CD1 . 25802 1 1176 . 1 1 94 94 TRP CE3 C 13 121.359 0.141 . 1 . . . . 115 TRP CE3 . 25802 1 1177 . 1 1 94 94 TRP CZ2 C 13 114.134 0.068 . 1 . . . . 115 TRP CZ2 . 25802 1 1178 . 1 1 94 94 TRP CZ3 C 13 121.623 0.196 . 1 . . . . 115 TRP CZ3 . 25802 1 1179 . 1 1 94 94 TRP CH2 C 13 124.719 0.104 . 1 . . . . 115 TRP CH2 . 25802 1 1180 . 1 1 94 94 TRP N N 15 121.829 0.096 . 1 . . . . 115 TRP N . 25802 1 1181 . 1 1 94 94 TRP NE1 N 15 127.904 0.061 . 1 . . . . 115 TRP NE1 . 25802 1 1182 . 1 1 95 95 THR H H 1 8.869 0.005 . 1 . . . . 116 THR H . 25802 1 1183 . 1 1 95 95 THR HA H 1 4.456 0.003 . 1 . . . . 116 THR HA . 25802 1 1184 . 1 1 95 95 THR HB H 1 4.238 0.005 . 1 . . . . 116 THR HB . 25802 1 1185 . 1 1 95 95 THR HG21 H 1 1.308 0.011 . 1 . . . . 116 THR MG . 25802 1 1186 . 1 1 95 95 THR HG22 H 1 1.308 0.011 . 1 . . . . 116 THR MG . 25802 1 1187 . 1 1 95 95 THR HG23 H 1 1.308 0.011 . 1 . . . . 116 THR MG . 25802 1 1188 . 1 1 95 95 THR C C 13 174.199 0.005 . 1 . . . . 116 THR C . 25802 1 1189 . 1 1 95 95 THR CA C 13 61.543 0.063 . 1 . . . . 116 THR CA . 25802 1 1190 . 1 1 95 95 THR CB C 13 70.226 0.101 . 1 . . . . 116 THR CB . 25802 1 1191 . 1 1 95 95 THR CG2 C 13 21.128 0.067 . 1 . . . . 116 THR CG2 . 25802 1 1192 . 1 1 95 95 THR N N 15 116.497 0.058 . 1 . . . . 116 THR N . 25802 1 1193 . 1 1 96 96 ASP H H 1 8.384 0.003 . 1 . . . . 117 ASP H . 25802 1 1194 . 1 1 96 96 ASP HA H 1 4.637 0.009 . 1 . . . . 117 ASP HA . 25802 1 1195 . 1 1 96 96 ASP HB2 H 1 2.682 0.011 . 1 . . . . 117 ASP HB2 . 25802 1 1196 . 1 1 96 96 ASP HB3 H 1 2.682 0.011 . 1 . . . . 117 ASP HB3 . 25802 1 1197 . 1 1 96 96 ASP C C 13 175.923 0.003 . 1 . . . . 117 ASP C . 25802 1 1198 . 1 1 96 96 ASP CA C 13 54.715 0.050 . 1 . . . . 117 ASP CA . 25802 1 1199 . 1 1 96 96 ASP CB C 13 40.825 0.134 . 1 . . . . 117 ASP CB . 25802 1 1200 . 1 1 96 96 ASP N N 15 123.390 0.071 . 1 . . . . 117 ASP N . 25802 1 1201 . 1 1 97 97 GLN H H 1 8.225 0.004 . 1 . . . . 118 GLN H . 25802 1 1202 . 1 1 97 97 GLN HA H 1 4.416 0.005 . 1 . . . . 118 GLN HA . 25802 1 1203 . 1 1 97 97 GLN HB2 H 1 1.958 0.005 . 2 . . . . 118 GLN HB2 . 25802 1 1204 . 1 1 97 97 GLN HB3 H 1 2.125 0.010 . 2 . . . . 118 GLN HB3 . 25802 1 1205 . 1 1 97 97 GLN HG2 H 1 2.324 0.007 . 1 . . . . 118 GLN HG2 . 25802 1 1206 . 1 1 97 97 GLN HG3 H 1 2.324 0.007 . 1 . . . . 118 GLN HG3 . 25802 1 1207 . 1 1 97 97 GLN HE21 H 1 7.720 0.002 . 2 . . . . 118 GLN HE21 . 25802 1 1208 . 1 1 97 97 GLN HE22 H 1 7.010 0.004 . 2 . . . . 118 GLN HE22 . 25802 1 1209 . 1 1 97 97 GLN C C 13 175.204 0.013 . 1 . . . . 118 GLN C . 25802 1 1210 . 1 1 97 97 GLN CA C 13 55.592 0.046 . 1 . . . . 118 GLN CA . 25802 1 1211 . 1 1 97 97 GLN CB C 13 30.669 0.072 . 1 . . . . 118 GLN CB . 25802 1 1212 . 1 1 97 97 GLN CG C 13 34.148 0.106 . 1 . . . . 118 GLN CG . 25802 1 1213 . 1 1 97 97 GLN N N 15 121.491 0.076 . 1 . . . . 118 GLN N . 25802 1 1214 . 1 1 97 97 GLN NE2 N 15 112.547 0.088 . 1 . . . . 118 GLN NE2 . 25802 1 1215 . 1 1 98 98 ASP H H 1 8.335 0.004 . 1 . . . . 119 ASP H . 25802 1 1216 . 1 1 98 98 ASP HA H 1 4.620 0.007 . 1 . . . . 119 ASP HA . 25802 1 1217 . 1 1 98 98 ASP HB2 H 1 2.575 0.004 . 2 . . . . 119 ASP HB2 . 25802 1 1218 . 1 1 98 98 ASP HB3 H 1 2.677 0.011 . 2 . . . . 119 ASP HB3 . 25802 1 1219 . 1 1 98 98 ASP C C 13 175.927 0.002 . 1 . . . . 119 ASP C . 25802 1 1220 . 1 1 98 98 ASP CA C 13 54.456 0.071 . 1 . . . . 119 ASP CA . 25802 1 1221 . 1 1 98 98 ASP CB C 13 41.433 0.072 . 1 . . . . 119 ASP CB . 25802 1 1222 . 1 1 98 98 ASP N N 15 122.053 0.073 . 1 . . . . 119 ASP N . 25802 1 1223 . 1 1 99 99 ASP H H 1 8.330 0.006 . 1 . . . . 120 ASP H . 25802 1 1224 . 1 1 99 99 ASP HA H 1 4.586 0.004 . 1 . . . . 120 ASP HA . 25802 1 1225 . 1 1 99 99 ASP HB2 H 1 2.626 0.011 . 1 . . . . 120 ASP HB2 . 25802 1 1226 . 1 1 99 99 ASP HB3 H 1 2.626 0.011 . 1 . . . . 120 ASP HB3 . 25802 1 1227 . 1 1 99 99 ASP C C 13 175.937 0.012 . 1 . . . . 120 ASP C . 25802 1 1228 . 1 1 99 99 ASP CA C 13 54.367 0.048 . 1 . . . . 120 ASP CA . 25802 1 1229 . 1 1 99 99 ASP CB C 13 41.430 0.119 . 1 . . . . 120 ASP CB . 25802 1 1230 . 1 1 99 99 ASP N N 15 120.903 0.103 . 1 . . . . 120 ASP N . 25802 1 1231 . 1 1 100 100 ASP H H 1 8.260 0.003 . 1 . . . . 121 ASP H . 25802 1 1232 . 1 1 100 100 ASP HA H 1 4.553 0.007 . 1 . . . . 121 ASP HA . 25802 1 1233 . 1 1 100 100 ASP HB2 H 1 2.579 0.014 . 1 . . . . 121 ASP HB2 . 25802 1 1234 . 1 1 100 100 ASP HB3 H 1 2.579 0.014 . 1 . . . . 121 ASP HB3 . 25802 1 1235 . 1 1 100 100 ASP C C 13 176.110 0.010 . 1 . . . . 121 ASP C . 25802 1 1236 . 1 1 100 100 ASP CA C 13 54.249 0.035 . 1 . . . . 121 ASP CA . 25802 1 1237 . 1 1 100 100 ASP CB C 13 41.282 0.125 . 1 . . . . 121 ASP CB . 25802 1 1238 . 1 1 100 100 ASP N N 15 120.782 0.087 . 1 . . . . 121 ASP N . 25802 1 1239 . 1 1 101 101 GLU H H 1 8.176 0.007 . 1 . . . . 122 GLU H . 25802 1 1240 . 1 1 101 101 GLU HA H 1 4.174 0.003 . 1 . . . . 122 GLU HA . 25802 1 1241 . 1 1 101 101 GLU HB2 H 1 1.867 0.007 . 2 . . . . 122 GLU HB2 . 25802 1 1242 . 1 1 101 101 GLU HB3 H 1 1.968 0.006 . 2 . . . . 122 GLU HB3 . 25802 1 1243 . 1 1 101 101 GLU HG2 H 1 2.176 0.008 . 2 . . . . 122 GLU HG2 . 25802 1 1244 . 1 1 101 101 GLU HG3 H 1 2.222 0.003 . 2 . . . . 122 GLU HG3 . 25802 1 1245 . 1 1 101 101 GLU C C 13 175.937 0.000 . 1 . . . . 122 GLU C . 25802 1 1246 . 1 1 101 101 GLU CA C 13 56.692 0.053 . 1 . . . . 122 GLU CA . 25802 1 1247 . 1 1 101 101 GLU CB C 13 30.587 0.090 . 1 . . . . 122 GLU CB . 25802 1 1248 . 1 1 101 101 GLU CG C 13 36.129 0.031 . 1 . . . . 122 GLU CG . 25802 1 1249 . 1 1 101 101 GLU N N 15 120.784 0.058 . 1 . . . . 122 GLU N . 25802 1 1250 . 1 1 102 102 ASP H H 1 8.272 0.004 . 1 . . . . 123 ASP H . 25802 1 1251 . 1 1 102 102 ASP HA H 1 4.514 0.009 . 1 . . . . 123 ASP HA . 25802 1 1252 . 1 1 102 102 ASP HB2 H 1 2.486 0.018 . 1 . . . . 123 ASP HB2 . 25802 1 1253 . 1 1 102 102 ASP HB3 H 1 2.486 0.018 . 1 . . . . 123 ASP HB3 . 25802 1 1254 . 1 1 102 102 ASP C C 13 175.748 0.005 . 1 . . . . 123 ASP C . 25802 1 1255 . 1 1 102 102 ASP CA C 13 54.183 0.054 . 1 . . . . 123 ASP CA . 25802 1 1256 . 1 1 102 102 ASP CB C 13 40.856 0.135 . 1 . . . . 123 ASP CB . 25802 1 1257 . 1 1 102 102 ASP N N 15 121.186 0.044 . 1 . . . . 123 ASP N . 25802 1 1258 . 1 1 103 103 LEU H H 1 7.854 0.005 . 1 . . . . 124 LEU H . 25802 1 1259 . 1 1 103 103 LEU HA H 1 4.166 0.004 . 1 . . . . 124 LEU HA . 25802 1 1260 . 1 1 103 103 LEU HB2 H 1 1.071 0.007 . 2 . . . . 124 LEU HB2 . 25802 1 1261 . 1 1 103 103 LEU HB3 H 1 1.156 0.009 . 2 . . . . 124 LEU HB3 . 25802 1 1262 . 1 1 103 103 LEU HG H 1 1.371 0.012 . 1 . . . . 124 LEU HG . 25802 1 1263 . 1 1 103 103 LEU HD11 H 1 0.678 0.005 . 2 . . . . 124 LEU MD1 . 25802 1 1264 . 1 1 103 103 LEU HD12 H 1 0.678 0.005 . 2 . . . . 124 LEU MD1 . 25802 1 1265 . 1 1 103 103 LEU HD13 H 1 0.678 0.005 . 2 . . . . 124 LEU MD1 . 25802 1 1266 . 1 1 103 103 LEU HD21 H 1 0.702 0.006 . 2 . . . . 124 LEU MD2 . 25802 1 1267 . 1 1 103 103 LEU HD22 H 1 0.702 0.006 . 2 . . . . 124 LEU MD2 . 25802 1 1268 . 1 1 103 103 LEU HD23 H 1 0.702 0.006 . 2 . . . . 124 LEU MD2 . 25802 1 1269 . 1 1 103 103 LEU C C 13 177.059 0.006 . 1 . . . . 124 LEU C . 25802 1 1270 . 1 1 103 103 LEU CA C 13 54.947 0.070 . 1 . . . . 124 LEU CA . 25802 1 1271 . 1 1 103 103 LEU CB C 13 42.081 0.050 . 1 . . . . 124 LEU CB . 25802 1 1272 . 1 1 103 103 LEU CG C 13 26.604 0.063 . 1 . . . . 124 LEU CG . 25802 1 1273 . 1 1 103 103 LEU CD1 C 13 23.187 0.042 . 2 . . . . 124 LEU CD1 . 25802 1 1274 . 1 1 103 103 LEU CD2 C 13 25.339 0.086 . 2 . . . . 124 LEU CD2 . 25802 1 1275 . 1 1 103 103 LEU N N 15 122.747 0.088 . 1 . . . . 124 LEU N . 25802 1 1276 . 1 1 104 104 VAL H H 1 7.967 0.004 . 1 . . . . 125 VAL H . 25802 1 1277 . 1 1 104 104 VAL HA H 1 3.895 0.005 . 1 . . . . 125 VAL HA . 25802 1 1278 . 1 1 104 104 VAL HB H 1 2.059 0.007 . 1 . . . . 125 VAL HB . 25802 1 1279 . 1 1 104 104 VAL HG11 H 1 0.947 0.008 . 2 . . . . 125 VAL MG1 . 25802 1 1280 . 1 1 104 104 VAL HG12 H 1 0.947 0.008 . 2 . . . . 125 VAL MG1 . 25802 1 1281 . 1 1 104 104 VAL HG13 H 1 0.947 0.008 . 2 . . . . 125 VAL MG1 . 25802 1 1282 . 1 1 104 104 VAL HG21 H 1 0.996 0.006 . 2 . . . . 125 VAL MG2 . 25802 1 1283 . 1 1 104 104 VAL HG22 H 1 0.996 0.006 . 2 . . . . 125 VAL MG2 . 25802 1 1284 . 1 1 104 104 VAL HG23 H 1 0.996 0.006 . 2 . . . . 125 VAL MG2 . 25802 1 1285 . 1 1 104 104 VAL C C 13 176.036 0.006 . 1 . . . . 125 VAL C . 25802 1 1286 . 1 1 104 104 VAL CA C 13 63.990 0.104 . 1 . . . . 125 VAL CA . 25802 1 1287 . 1 1 104 104 VAL CB C 13 32.215 0.143 . 1 . . . . 125 VAL CB . 25802 1 1288 . 1 1 104 104 VAL CG1 C 13 20.995 0.086 . 2 . . . . 125 VAL CG1 . 25802 1 1289 . 1 1 104 104 VAL CG2 C 13 21.233 0.069 . 2 . . . . 125 VAL CG2 . 25802 1 1290 . 1 1 104 104 VAL N N 15 119.413 0.103 . 1 . . . . 125 VAL N . 25802 1 1291 . 1 1 105 105 ASP H H 1 8.196 0.008 . 1 . . . . 126 ASP H . 25802 1 1292 . 1 1 105 105 ASP HA H 1 4.787 0.004 . 1 . . . . 126 ASP HA . 25802 1 1293 . 1 1 105 105 ASP HB2 H 1 2.680 0.006 . 2 . . . . 126 ASP HB2 . 25802 1 1294 . 1 1 105 105 ASP HB3 H 1 2.839 0.006 . 2 . . . . 126 ASP HB3 . 25802 1 1295 . 1 1 105 105 ASP C C 13 175.098 0.004 . 1 . . . . 126 ASP C . 25802 1 1296 . 1 1 105 105 ASP CA C 13 54.262 0.079 . 1 . . . . 126 ASP CA . 25802 1 1297 . 1 1 105 105 ASP CB C 13 40.883 0.186 . 1 . . . . 126 ASP CB . 25802 1 1298 . 1 1 105 105 ASP N N 15 121.368 0.072 . 1 . . . . 126 ASP N . 25802 1 1299 . 1 1 106 106 THR H H 1 7.793 0.004 . 1 . . . . 127 THR H . 25802 1 1300 . 1 1 106 106 THR HA H 1 4.524 0.004 . 1 . . . . 127 THR HA . 25802 1 1301 . 1 1 106 106 THR HB H 1 4.144 0.006 . 1 . . . . 127 THR HB . 25802 1 1302 . 1 1 106 106 THR HG21 H 1 1.121 0.004 . 1 . . . . 127 THR MG . 25802 1 1303 . 1 1 106 106 THR HG22 H 1 1.121 0.004 . 1 . . . . 127 THR MG . 25802 1 1304 . 1 1 106 106 THR HG23 H 1 1.121 0.004 . 1 . . . . 127 THR MG . 25802 1 1305 . 1 1 106 106 THR C C 13 173.621 0.009 . 1 . . . . 127 THR C . 25802 1 1306 . 1 1 106 106 THR CA C 13 63.230 0.061 . 1 . . . . 127 THR CA . 25802 1 1307 . 1 1 106 106 THR CB C 13 69.915 0.094 . 1 . . . . 127 THR CB . 25802 1 1308 . 1 1 106 106 THR CG2 C 13 22.218 0.108 . 1 . . . . 127 THR CG2 . 25802 1 1309 . 1 1 106 106 THR N N 15 113.621 0.058 . 1 . . . . 127 THR N . 25802 1 1310 . 1 1 107 107 CYS H H 1 8.948 0.010 . 1 . . . . 128 CYS H . 25802 1 1311 . 1 1 107 107 CYS HA H 1 5.003 0.009 . 1 . . . . 128 CYS HA . 25802 1 1312 . 1 1 107 107 CYS HB2 H 1 2.751 0.006 . 1 . . . . 128 CYS HB2 . 25802 1 1313 . 1 1 107 107 CYS HB3 H 1 2.751 0.006 . 1 . . . . 128 CYS HB3 . 25802 1 1314 . 1 1 107 107 CYS C C 13 171.253 0.006 . 1 . . . . 128 CYS C . 25802 1 1315 . 1 1 107 107 CYS CA C 13 59.652 0.045 . 1 . . . . 128 CYS CA . 25802 1 1316 . 1 1 107 107 CYS CB C 13 43.916 0.044 . 1 . . . . 128 CYS CB . 25802 1 1317 . 1 1 107 107 CYS N N 15 123.527 0.074 . 1 . . . . 128 CYS N . 25802 1 1318 . 1 1 108 108 ALA H H 1 9.183 0.006 . 1 . . . . 129 ALA H . 25802 1 1319 . 1 1 108 108 ALA HA H 1 5.319 0.008 . 1 . . . . 129 ALA HA . 25802 1 1320 . 1 1 108 108 ALA HB1 H 1 1.168 0.004 . 1 . . . . 129 ALA MB . 25802 1 1321 . 1 1 108 108 ALA HB2 H 1 1.168 0.004 . 1 . . . . 129 ALA MB . 25802 1 1322 . 1 1 108 108 ALA HB3 H 1 1.168 0.004 . 1 . . . . 129 ALA MB . 25802 1 1323 . 1 1 108 108 ALA C C 13 175.134 0.005 . 1 . . . . 129 ALA C . 25802 1 1324 . 1 1 108 108 ALA CA C 13 50.487 0.088 . 1 . . . . 129 ALA CA . 25802 1 1325 . 1 1 108 108 ALA CB C 13 24.392 0.074 . 1 . . . . 129 ALA CB . 25802 1 1326 . 1 1 108 108 ALA N N 15 122.907 0.063 . 1 . . . . 129 ALA N . 25802 1 1327 . 1 1 109 109 PHE H H 1 9.281 0.007 . 1 . . . . 130 PHE H . 25802 1 1328 . 1 1 109 109 PHE HA H 1 5.191 0.008 . 1 . . . . 130 PHE HA . 25802 1 1329 . 1 1 109 109 PHE HB2 H 1 2.689 0.012 . 1 . . . . 130 PHE HB2 . 25802 1 1330 . 1 1 109 109 PHE HB3 H 1 2.689 0.012 . 1 . . . . 130 PHE HB3 . 25802 1 1331 . 1 1 109 109 PHE HD1 H 1 6.873 0.007 . 1 . . . . 130 PHE HD1 . 25802 1 1332 . 1 1 109 109 PHE HD2 H 1 6.873 0.007 . 1 . . . . 130 PHE HD2 . 25802 1 1333 . 1 1 109 109 PHE HE1 H 1 7.109 0.009 . 1 . . . . 130 PHE HE1 . 25802 1 1334 . 1 1 109 109 PHE HE2 H 1 7.109 0.009 . 1 . . . . 130 PHE HE2 . 25802 1 1335 . 1 1 109 109 PHE HZ H 1 7.392 0.006 . 1 . . . . 130 PHE HZ . 25802 1 1336 . 1 1 109 109 PHE C C 13 174.902 0.003 . 1 . . . . 130 PHE C . 25802 1 1337 . 1 1 109 109 PHE CA C 13 55.946 0.086 . 1 . . . . 130 PHE CA . 25802 1 1338 . 1 1 109 109 PHE CB C 13 42.981 0.092 . 1 . . . . 130 PHE CB . 25802 1 1339 . 1 1 109 109 PHE CD1 C 13 131.514 0.106 . 1 . . . . 130 PHE CD1 . 25802 1 1340 . 1 1 109 109 PHE CD2 C 13 131.514 0.106 . 1 . . . . 130 PHE CD2 . 25802 1 1341 . 1 1 109 109 PHE CE1 C 13 131.491 0.067 . 1 . . . . 130 PHE CE1 . 25802 1 1342 . 1 1 109 109 PHE CE2 C 13 131.491 0.067 . 1 . . . . 130 PHE CE2 . 25802 1 1343 . 1 1 109 109 PHE CZ C 13 130.760 0.157 . 1 . . . . 130 PHE CZ . 25802 1 1344 . 1 1 109 109 PHE N N 15 117.735 0.056 . 1 . . . . 130 PHE N . 25802 1 1345 . 1 1 110 110 LEU H H 1 9.311 0.007 . 1 . . . . 131 LEU H . 25802 1 1346 . 1 1 110 110 LEU HA H 1 4.668 0.008 . 1 . . . . 131 LEU HA . 25802 1 1347 . 1 1 110 110 LEU HB2 H 1 1.057 0.005 . 2 . . . . 131 LEU HB2 . 25802 1 1348 . 1 1 110 110 LEU HB3 H 1 1.701 0.008 . 2 . . . . 131 LEU HB3 . 25802 1 1349 . 1 1 110 110 LEU HG H 1 1.312 0.007 . 1 . . . . 131 LEU HG . 25802 1 1350 . 1 1 110 110 LEU HD11 H 1 0.932 0.007 . 2 . . . . 131 LEU MD1 . 25802 1 1351 . 1 1 110 110 LEU HD12 H 1 0.932 0.007 . 2 . . . . 131 LEU MD1 . 25802 1 1352 . 1 1 110 110 LEU HD13 H 1 0.932 0.007 . 2 . . . . 131 LEU MD1 . 25802 1 1353 . 1 1 110 110 LEU HD21 H 1 0.645 0.007 . 2 . . . . 131 LEU MD2 . 25802 1 1354 . 1 1 110 110 LEU HD22 H 1 0.645 0.007 . 2 . . . . 131 LEU MD2 . 25802 1 1355 . 1 1 110 110 LEU HD23 H 1 0.645 0.007 . 2 . . . . 131 LEU MD2 . 25802 1 1356 . 1 1 110 110 LEU C C 13 174.490 0.007 . 1 . . . . 131 LEU C . 25802 1 1357 . 1 1 110 110 LEU CA C 13 54.308 0.058 . 1 . . . . 131 LEU CA . 25802 1 1358 . 1 1 110 110 LEU CB C 13 44.108 0.074 . 1 . . . . 131 LEU CB . 25802 1 1359 . 1 1 110 110 LEU CG C 13 27.816 0.057 . 1 . . . . 131 LEU CG . 25802 1 1360 . 1 1 110 110 LEU CD1 C 13 24.795 0.048 . 2 . . . . 131 LEU CD1 . 25802 1 1361 . 1 1 110 110 LEU CD2 C 13 26.028 0.054 . 2 . . . . 131 LEU CD2 . 25802 1 1362 . 1 1 110 110 LEU N N 15 123.964 0.096 . 1 . . . . 131 LEU N . 25802 1 1363 . 1 1 111 111 HIS H H 1 9.248 0.006 . 1 . . . . 132 HIS H . 25802 1 1364 . 1 1 111 111 HIS HA H 1 5.519 0.008 . 1 . . . . 132 HIS HA . 25802 1 1365 . 1 1 111 111 HIS HB2 H 1 2.771 0.005 . 2 . . . . 132 HIS HB2 . 25802 1 1366 . 1 1 111 111 HIS HB3 H 1 3.642 0.006 . 2 . . . . 132 HIS HB3 . 25802 1 1367 . 1 1 111 111 HIS HD2 H 1 7.476 0.012 . 1 . . . . 132 HIS HD2 . 25802 1 1368 . 1 1 111 111 HIS HE1 H 1 8.305 0.012 . 1 . . . . 132 HIS HE1 . 25802 1 1369 . 1 1 111 111 HIS C C 13 175.982 0.009 . 1 . . . . 132 HIS C . 25802 1 1370 . 1 1 111 111 HIS CA C 13 54.862 0.094 . 1 . . . . 132 HIS CA . 25802 1 1371 . 1 1 111 111 HIS CB C 13 29.640 0.083 . 1 . . . . 132 HIS CB . 25802 1 1372 . 1 1 111 111 HIS CD2 C 13 121.503 0.110 . 1 . . . . 132 HIS CD2 . 25802 1 1373 . 1 1 111 111 HIS CE1 C 13 138.743 0.044 . 1 . . . . 132 HIS CE1 . 25802 1 1374 . 1 1 111 111 HIS N N 15 128.841 0.070 . 1 . . . . 132 HIS N . 25802 1 1375 . 1 1 112 112 ILE H H 1 8.340 0.010 . 1 . . . . 133 ILE H . 25802 1 1376 . 1 1 112 112 ILE HA H 1 3.530 0.008 . 1 . . . . 133 ILE HA . 25802 1 1377 . 1 1 112 112 ILE HB H 1 1.838 0.005 . 1 . . . . 133 ILE HB . 25802 1 1378 . 1 1 112 112 ILE HG12 H 1 1.240 0.006 . 2 . . . . 133 ILE HG12 . 25802 1 1379 . 1 1 112 112 ILE HG13 H 1 1.363 0.005 . 2 . . . . 133 ILE HG13 . 25802 1 1380 . 1 1 112 112 ILE HG21 H 1 0.776 0.006 . 1 . . . . 133 ILE MG . 25802 1 1381 . 1 1 112 112 ILE HG22 H 1 0.776 0.006 . 1 . . . . 133 ILE MG . 25802 1 1382 . 1 1 112 112 ILE HG23 H 1 0.776 0.006 . 1 . . . . 133 ILE MG . 25802 1 1383 . 1 1 112 112 ILE HD11 H 1 0.686 0.002 . 1 . . . . 133 ILE MD . 25802 1 1384 . 1 1 112 112 ILE HD12 H 1 0.686 0.002 . 1 . . . . 133 ILE MD . 25802 1 1385 . 1 1 112 112 ILE HD13 H 1 0.686 0.002 . 1 . . . . 133 ILE MD . 25802 1 1386 . 1 1 112 112 ILE C C 13 176.377 0.000 . 1 . . . . 133 ILE C . 25802 1 1387 . 1 1 112 112 ILE CA C 13 64.491 0.093 . 1 . . . . 133 ILE CA . 25802 1 1388 . 1 1 112 112 ILE CB C 13 37.181 0.055 . 1 . . . . 133 ILE CB . 25802 1 1389 . 1 1 112 112 ILE CG1 C 13 28.973 0.054 . 1 . . . . 133 ILE CG1 . 25802 1 1390 . 1 1 112 112 ILE CG2 C 13 18.274 0.074 . 1 . . . . 133 ILE CG2 . 25802 1 1391 . 1 1 112 112 ILE CD1 C 13 13.736 0.069 . 1 . . . . 133 ILE CD1 . 25802 1 1392 . 1 1 112 112 ILE N N 15 127.885 0.093 . 1 . . . . 133 ILE N . 25802 1 1393 . 1 1 113 113 LYS H H 1 7.951 0.021 . 1 . . . . 134 LYS H . 25802 1 1394 . 1 1 113 113 LYS HA H 1 3.948 0.004 . 1 . . . . 134 LYS HA . 25802 1 1395 . 1 1 113 113 LYS HB2 H 1 1.666 0.005 . 1 . . . . 134 LYS HB2 . 25802 1 1396 . 1 1 113 113 LYS HB3 H 1 1.666 0.005 . 1 . . . . 134 LYS HB3 . 25802 1 1397 . 1 1 113 113 LYS HG2 H 1 1.359 0.004 . 2 . . . . 134 LYS HG2 . 25802 1 1398 . 1 1 113 113 LYS HG3 H 1 1.430 0.007 . 2 . . . . 134 LYS HG3 . 25802 1 1399 . 1 1 113 113 LYS HE2 H 1 2.996 0.006 . 1 . . . . 134 LYS HE2 . 25802 1 1400 . 1 1 113 113 LYS HE3 H 1 2.996 0.006 . 1 . . . . 134 LYS HE3 . 25802 1 1401 . 1 1 113 113 LYS C C 13 177.765 0.001 . 1 . . . . 134 LYS C . 25802 1 1402 . 1 1 113 113 LYS CA C 13 59.104 0.072 . 1 . . . . 134 LYS CA . 25802 1 1403 . 1 1 113 113 LYS CB C 13 32.833 0.057 . 1 . . . . 134 LYS CB . 25802 1 1404 . 1 1 113 113 LYS CG C 13 25.630 0.106 . 1 . . . . 134 LYS CG . 25802 1 1405 . 1 1 113 113 LYS CD C 13 28.961 0.000 . 1 . . . . 134 LYS CD . 25802 1 1406 . 1 1 113 113 LYS CE C 13 42.133 0.075 . 1 . . . . 134 LYS CE . 25802 1 1407 . 1 1 113 113 LYS N N 15 115.896 0.146 . 1 . . . . 134 LYS N . 25802 1 1408 . 1 1 114 114 THR H H 1 6.965 0.007 . 1 . . . . 135 THR H . 25802 1 1409 . 1 1 114 114 THR HA H 1 4.644 0.009 . 1 . . . . 135 THR HA . 25802 1 1410 . 1 1 114 114 THR HB H 1 4.406 0.004 . 1 . . . . 135 THR HB . 25802 1 1411 . 1 1 114 114 THR HG21 H 1 1.280 0.003 . 1 . . . . 135 THR MG . 25802 1 1412 . 1 1 114 114 THR HG22 H 1 1.280 0.003 . 1 . . . . 135 THR MG . 25802 1 1413 . 1 1 114 114 THR HG23 H 1 1.280 0.003 . 1 . . . . 135 THR MG . 25802 1 1414 . 1 1 114 114 THR C C 13 176.142 0.009 . 1 . . . . 135 THR C . 25802 1 1415 . 1 1 114 114 THR CA C 13 60.854 0.071 . 1 . . . . 135 THR CA . 25802 1 1416 . 1 1 114 114 THR CB C 13 71.440 0.103 . 1 . . . . 135 THR CB . 25802 1 1417 . 1 1 114 114 THR CG2 C 13 22.234 0.050 . 1 . . . . 135 THR CG2 . 25802 1 1418 . 1 1 114 114 THR N N 15 101.852 0.084 . 1 . . . . 135 THR N . 25802 1 1419 . 1 1 115 115 GLY H H 1 8.817 0.009 . 1 . . . . 136 GLY H . 25802 1 1420 . 1 1 115 115 GLY HA2 H 1 3.565 0.009 . 2 . . . . 136 GLY HA2 . 25802 1 1421 . 1 1 115 115 GLY HA3 H 1 4.162 0.006 . 2 . . . . 136 GLY HA3 . 25802 1 1422 . 1 1 115 115 GLY C C 13 172.121 0.005 . 1 . . . . 136 GLY C . 25802 1 1423 . 1 1 115 115 GLY CA C 13 46.996 0.087 . 1 . . . . 136 GLY CA . 25802 1 1424 . 1 1 115 115 GLY N N 15 112.055 0.071 . 1 . . . . 136 GLY N . 25802 1 1425 . 1 1 116 116 GLU H H 1 7.558 0.007 . 1 . . . . 137 GLU H . 25802 1 1426 . 1 1 116 116 GLU HA H 1 4.407 0.011 . 1 . . . . 137 GLU HA . 25802 1 1427 . 1 1 116 116 GLU HB2 H 1 2.200 0.010 . 2 . . . . 137 GLU HB2 . 25802 1 1428 . 1 1 116 116 GLU HB3 H 1 1.971 0.007 . 2 . . . . 137 GLU HB3 . 25802 1 1429 . 1 1 116 116 GLU HG2 H 1 2.159 0.009 . 2 . . . . 137 GLU HG2 . 25802 1 1430 . 1 1 116 116 GLU HG3 H 1 2.216 0.003 . 2 . . . . 137 GLU HG3 . 25802 1 1431 . 1 1 116 116 GLU C C 13 174.691 0.015 . 1 . . . . 137 GLU C . 25802 1 1432 . 1 1 116 116 GLU CA C 13 55.409 0.067 . 1 . . . . 137 GLU CA . 25802 1 1433 . 1 1 116 116 GLU CB C 13 32.248 0.084 . 1 . . . . 137 GLU CB . 25802 1 1434 . 1 1 116 116 GLU CG C 13 37.021 0.046 . 1 . . . . 137 GLU CG . 25802 1 1435 . 1 1 116 116 GLU N N 15 115.601 0.051 . 1 . . . . 137 GLU N . 25802 1 1436 . 1 1 117 117 TRP H H 1 8.389 0.006 . 1 . . . . 138 TRP H . 25802 1 1437 . 1 1 117 117 TRP HA H 1 6.038 0.009 . 1 . . . . 138 TRP HA . 25802 1 1438 . 1 1 117 117 TRP HB2 H 1 2.354 0.008 . 2 . . . . 138 TRP HB2 . 25802 1 1439 . 1 1 117 117 TRP HB3 H 1 2.413 0.009 . 2 . . . . 138 TRP HB3 . 25802 1 1440 . 1 1 117 117 TRP HD1 H 1 6.891 0.008 . 1 . . . . 138 TRP HD1 . 25802 1 1441 . 1 1 117 117 TRP HE1 H 1 10.483 0.010 . 1 . . . . 138 TRP HE1 . 25802 1 1442 . 1 1 117 117 TRP HE3 H 1 5.262 0.006 . 1 . . . . 138 TRP HE3 . 25802 1 1443 . 1 1 117 117 TRP HZ2 H 1 7.334 0.008 . 1 . . . . 138 TRP HZ2 . 25802 1 1444 . 1 1 117 117 TRP HZ3 H 1 6.507 0.008 . 1 . . . . 138 TRP HZ3 . 25802 1 1445 . 1 1 117 117 TRP HH2 H 1 7.499 0.007 . 1 . . . . 138 TRP HH2 . 25802 1 1446 . 1 1 117 117 TRP C C 13 175.697 0.002 . 1 . . . . 138 TRP C . 25802 1 1447 . 1 1 117 117 TRP CA C 13 52.766 0.049 . 1 . . . . 138 TRP CA . 25802 1 1448 . 1 1 117 117 TRP CB C 13 30.661 0.092 . 1 . . . . 138 TRP CB . 25802 1 1449 . 1 1 117 117 TRP CD1 C 13 124.099 0.115 . 1 . . . . 138 TRP CD1 . 25802 1 1450 . 1 1 117 117 TRP CE3 C 13 118.580 0.152 . 1 . . . . 138 TRP CE3 . 25802 1 1451 . 1 1 117 117 TRP CZ2 C 13 114.445 0.088 . 1 . . . . 138 TRP CZ2 . 25802 1 1452 . 1 1 117 117 TRP CZ3 C 13 121.878 0.097 . 1 . . . . 138 TRP CZ3 . 25802 1 1453 . 1 1 117 117 TRP CH2 C 13 125.188 0.091 . 1 . . . . 138 TRP CH2 . 25802 1 1454 . 1 1 117 117 TRP N N 15 120.435 0.107 . 1 . . . . 138 TRP N . 25802 1 1455 . 1 1 117 117 TRP NE1 N 15 128.341 0.062 . 1 . . . . 138 TRP NE1 . 25802 1 1456 . 1 1 118 118 LYS H H 1 9.619 0.004 . 1 . . . . 139 LYS H . 25802 1 1457 . 1 1 118 118 LYS HA H 1 5.194 0.004 . 1 . . . . 139 LYS HA . 25802 1 1458 . 1 1 118 118 LYS HB2 H 1 1.766 0.006 . 2 . . . . 139 LYS HB2 . 25802 1 1459 . 1 1 118 118 LYS HB3 H 1 1.868 0.006 . 2 . . . . 139 LYS HB3 . 25802 1 1460 . 1 1 118 118 LYS HG2 H 1 1.339 0.008 . 2 . . . . 139 LYS HG2 . 25802 1 1461 . 1 1 118 118 LYS HG3 H 1 1.453 0.009 . 2 . . . . 139 LYS HG3 . 25802 1 1462 . 1 1 118 118 LYS HD2 H 1 1.494 0.017 . 1 . . . . 139 LYS HD2 . 25802 1 1463 . 1 1 118 118 LYS HD3 H 1 1.494 0.017 . 1 . . . . 139 LYS HD3 . 25802 1 1464 . 1 1 118 118 LYS HE2 H 1 2.652 0.009 . 2 . . . . 139 LYS HE2 . 25802 1 1465 . 1 1 118 118 LYS HE3 H 1 2.712 0.009 . 2 . . . . 139 LYS HE3 . 25802 1 1466 . 1 1 118 118 LYS C C 13 175.533 0.002 . 1 . . . . 139 LYS C . 25802 1 1467 . 1 1 118 118 LYS CA C 13 54.504 0.060 . 1 . . . . 139 LYS CA . 25802 1 1468 . 1 1 118 118 LYS CB C 13 36.387 0.078 . 1 . . . . 139 LYS CB . 25802 1 1469 . 1 1 118 118 LYS CG C 13 24.648 0.035 . 1 . . . . 139 LYS CG . 25802 1 1470 . 1 1 118 118 LYS CD C 13 29.168 0.083 . 1 . . . . 139 LYS CD . 25802 1 1471 . 1 1 118 118 LYS CE C 13 41.904 0.070 . 1 . . . . 139 LYS CE . 25802 1 1472 . 1 1 118 118 LYS N N 15 121.237 0.082 . 1 . . . . 139 LYS N . 25802 1 1473 . 1 1 119 119 LYS H H 1 9.136 0.006 . 1 . . . . 140 LYS H . 25802 1 1474 . 1 1 119 119 LYS HA H 1 5.375 0.010 . 1 . . . . 140 LYS HA . 25802 1 1475 . 1 1 119 119 LYS HB2 H 1 1.662 0.008 . 2 . . . . 140 LYS HB2 . 25802 1 1476 . 1 1 119 119 LYS HB3 H 1 1.787 0.007 . 2 . . . . 140 LYS HB3 . 25802 1 1477 . 1 1 119 119 LYS HG2 H 1 1.025 0.010 . 2 . . . . 140 LYS HG2 . 25802 1 1478 . 1 1 119 119 LYS HG3 H 1 1.227 0.007 . 2 . . . . 140 LYS HG3 . 25802 1 1479 . 1 1 119 119 LYS HD2 H 1 1.325 0.006 . 1 . . . . 140 LYS HD2 . 25802 1 1480 . 1 1 119 119 LYS HD3 H 1 1.325 0.006 . 1 . . . . 140 LYS HD3 . 25802 1 1481 . 1 1 119 119 LYS HE2 H 1 2.062 0.008 . 2 . . . . 140 LYS HE2 . 25802 1 1482 . 1 1 119 119 LYS HE3 H 1 1.521 0.007 . 2 . . . . 140 LYS HE3 . 25802 1 1483 . 1 1 119 119 LYS C C 13 177.427 0.003 . 1 . . . . 140 LYS C . 25802 1 1484 . 1 1 119 119 LYS CA C 13 55.853 0.066 . 1 . . . . 140 LYS CA . 25802 1 1485 . 1 1 119 119 LYS CB C 13 34.048 0.079 . 1 . . . . 140 LYS CB . 25802 1 1486 . 1 1 119 119 LYS CG C 13 26.350 0.088 . 1 . . . . 140 LYS CG . 25802 1 1487 . 1 1 119 119 LYS CD C 13 29.722 0.083 . 1 . . . . 140 LYS CD . 25802 1 1488 . 1 1 119 119 LYS CE C 13 41.422 0.110 . 1 . . . . 140 LYS CE . 25802 1 1489 . 1 1 119 119 LYS N N 15 123.008 0.072 . 1 . . . . 140 LYS N . 25802 1 1490 . 1 1 120 120 GLY H H 1 9.027 0.007 . 1 . . . . 141 GLY H . 25802 1 1491 . 1 1 120 120 GLY HA2 H 1 3.942 0.013 . 2 . . . . 141 GLY HA2 . 25802 1 1492 . 1 1 120 120 GLY HA3 H 1 4.415 0.011 . 2 . . . . 141 GLY HA3 . 25802 1 1493 . 1 1 120 120 GLY C C 13 171.611 0.006 . 1 . . . . 141 GLY C . 25802 1 1494 . 1 1 120 120 GLY CA C 13 45.386 0.066 . 1 . . . . 141 GLY CA . 25802 1 1495 . 1 1 120 120 GLY N N 15 108.720 0.065 . 1 . . . . 141 GLY N . 25802 1 1496 . 1 1 121 121 ASN H H 1 8.577 0.004 . 1 . . . . 142 ASN H . 25802 1 1497 . 1 1 121 121 ASN HA H 1 5.030 0.012 . 1 . . . . 142 ASN HA . 25802 1 1498 . 1 1 121 121 ASN HB2 H 1 2.902 0.005 . 1 . . . . 142 ASN HB2 . 25802 1 1499 . 1 1 121 121 ASN HB3 H 1 2.902 0.005 . 1 . . . . 142 ASN HB3 . 25802 1 1500 . 1 1 121 121 ASN HD21 H 1 7.749 0.007 . 2 . . . . 142 ASN HD21 . 25802 1 1501 . 1 1 121 121 ASN HD22 H 1 7.065 0.006 . 2 . . . . 142 ASN HD22 . 25802 1 1502 . 1 1 121 121 ASN C C 13 176.875 0.009 . 1 . . . . 142 ASN C . 25802 1 1503 . 1 1 121 121 ASN CA C 13 54.002 0.095 . 1 . . . . 142 ASN CA . 25802 1 1504 . 1 1 121 121 ASN CB C 13 39.335 0.086 . 1 . . . . 142 ASN CB . 25802 1 1505 . 1 1 121 121 ASN N N 15 119.095 0.061 . 1 . . . . 142 ASN N . 25802 1 1506 . 1 1 121 121 ASN ND2 N 15 113.194 0.117 . 1 . . . . 142 ASN ND2 . 25802 1 1507 . 1 1 122 122 CYS H H 1 8.878 0.004 . 1 . . . . 143 CYS H . 25802 1 1508 . 1 1 122 122 CYS HA H 1 4.637 0.009 . 1 . . . . 143 CYS HA . 25802 1 1509 . 1 1 122 122 CYS HB2 H 1 3.052 0.009 . 2 . . . . 143 CYS HB2 . 25802 1 1510 . 1 1 122 122 CYS HB3 H 1 3.262 0.004 . 2 . . . . 143 CYS HB3 . 25802 1 1511 . 1 1 122 122 CYS C C 13 175.047 0.010 . 1 . . . . 143 CYS C . 25802 1 1512 . 1 1 122 122 CYS CA C 13 55.800 0.059 . 1 . . . . 143 CYS CA . 25802 1 1513 . 1 1 122 122 CYS CB C 13 42.697 0.072 . 1 . . . . 143 CYS CB . 25802 1 1514 . 1 1 122 122 CYS N N 15 119.578 0.054 . 1 . . . . 143 CYS N . 25802 1 1515 . 1 1 123 123 GLU H H 1 8.265 0.004 . 1 . . . . 144 GLU H . 25802 1 1516 . 1 1 123 123 GLU HA H 1 4.423 0.006 . 1 . . . . 144 GLU HA . 25802 1 1517 . 1 1 123 123 GLU HB2 H 1 1.989 0.008 . 2 . . . . 144 GLU HB2 . 25802 1 1518 . 1 1 123 123 GLU HB3 H 1 2.114 0.006 . 2 . . . . 144 GLU HB3 . 25802 1 1519 . 1 1 123 123 GLU HG2 H 1 2.282 0.008 . 1 . . . . 144 GLU HG2 . 25802 1 1520 . 1 1 123 123 GLU HG3 H 1 2.282 0.008 . 1 . . . . 144 GLU HG3 . 25802 1 1521 . 1 1 123 123 GLU C C 13 176.624 0.009 . 1 . . . . 144 GLU C . 25802 1 1522 . 1 1 123 123 GLU CA C 13 56.241 0.068 . 1 . . . . 144 GLU CA . 25802 1 1523 . 1 1 123 123 GLU CB C 13 28.660 0.099 . 1 . . . . 144 GLU CB . 25802 1 1524 . 1 1 123 123 GLU CG C 13 36.297 0.070 . 1 . . . . 144 GLU CG . 25802 1 1525 . 1 1 123 123 GLU N N 15 122.091 0.100 . 1 . . . . 144 GLU N . 25802 1 1526 . 1 1 124 124 VAL H H 1 8.081 0.006 . 1 . . . . 145 VAL H . 25802 1 1527 . 1 1 124 124 VAL HA H 1 4.313 0.007 . 1 . . . . 145 VAL HA . 25802 1 1528 . 1 1 124 124 VAL HB H 1 2.222 0.002 . 1 . . . . 145 VAL HB . 25802 1 1529 . 1 1 124 124 VAL HG11 H 1 0.807 0.005 . 2 . . . . 145 VAL MG1 . 25802 1 1530 . 1 1 124 124 VAL HG12 H 1 0.807 0.005 . 2 . . . . 145 VAL MG1 . 25802 1 1531 . 1 1 124 124 VAL HG13 H 1 0.807 0.005 . 2 . . . . 145 VAL MG1 . 25802 1 1532 . 1 1 124 124 VAL HG21 H 1 0.969 0.005 . 2 . . . . 145 VAL MG2 . 25802 1 1533 . 1 1 124 124 VAL HG22 H 1 0.969 0.005 . 2 . . . . 145 VAL MG2 . 25802 1 1534 . 1 1 124 124 VAL HG23 H 1 0.969 0.005 . 2 . . . . 145 VAL MG2 . 25802 1 1535 . 1 1 124 124 VAL C C 13 176.154 0.011 . 1 . . . . 145 VAL C . 25802 1 1536 . 1 1 124 124 VAL CA C 13 62.090 0.082 . 1 . . . . 145 VAL CA . 25802 1 1537 . 1 1 124 124 VAL CB C 13 32.756 0.049 . 1 . . . . 145 VAL CB . 25802 1 1538 . 1 1 124 124 VAL CG1 C 13 19.172 0.087 . 2 . . . . 145 VAL CG1 . 25802 1 1539 . 1 1 124 124 VAL CG2 C 13 21.781 0.053 . 2 . . . . 145 VAL CG2 . 25802 1 1540 . 1 1 124 124 VAL N N 15 119.025 0.057 . 1 . . . . 145 VAL N . 25802 1 1541 . 1 1 125 125 SER H H 1 8.507 0.005 . 1 . . . . 146 SER H . 25802 1 1542 . 1 1 125 125 SER HA H 1 4.534 0.008 . 1 . . . . 146 SER HA . 25802 1 1543 . 1 1 125 125 SER HB2 H 1 4.002 0.013 . 2 . . . . 146 SER HB2 . 25802 1 1544 . 1 1 125 125 SER HB3 H 1 4.063 0.009 . 2 . . . . 146 SER HB3 . 25802 1 1545 . 1 1 125 125 SER C C 13 175.322 0.006 . 1 . . . . 146 SER C . 25802 1 1546 . 1 1 125 125 SER CA C 13 60.396 0.078 . 1 . . . . 146 SER CA . 25802 1 1547 . 1 1 125 125 SER CB C 13 63.527 0.075 . 1 . . . . 146 SER CB . 25802 1 1548 . 1 1 125 125 SER N N 15 115.815 0.046 . 1 . . . . 146 SER N . 25802 1 1549 . 1 1 126 126 SER H H 1 8.285 0.005 . 1 . . . . 147 SER H . 25802 1 1550 . 1 1 126 126 SER HA H 1 4.864 0.008 . 1 . . . . 147 SER HA . 25802 1 1551 . 1 1 126 126 SER HB2 H 1 3.899 0.010 . 1 . . . . 147 SER HB2 . 25802 1 1552 . 1 1 126 126 SER HB3 H 1 3.899 0.010 . 1 . . . . 147 SER HB3 . 25802 1 1553 . 1 1 126 126 SER C C 13 173.912 0.005 . 1 . . . . 147 SER C . 25802 1 1554 . 1 1 126 126 SER CA C 13 58.062 0.096 . 1 . . . . 147 SER CA . 25802 1 1555 . 1 1 126 126 SER CB C 13 64.268 0.074 . 1 . . . . 147 SER CB . 25802 1 1556 . 1 1 126 126 SER N N 15 116.529 0.083 . 1 . . . . 147 SER N . 25802 1 1557 . 1 1 127 127 VAL H H 1 8.062 0.008 . 1 . . . . 148 VAL H . 25802 1 1558 . 1 1 127 127 VAL HA H 1 4.404 0.004 . 1 . . . . 148 VAL HA . 25802 1 1559 . 1 1 127 127 VAL HB H 1 2.256 0.006 . 1 . . . . 148 VAL HB . 25802 1 1560 . 1 1 127 127 VAL HG11 H 1 0.996 0.007 . 2 . . . . 148 VAL MG1 . 25802 1 1561 . 1 1 127 127 VAL HG12 H 1 0.996 0.007 . 2 . . . . 148 VAL MG1 . 25802 1 1562 . 1 1 127 127 VAL HG13 H 1 0.996 0.007 . 2 . . . . 148 VAL MG1 . 25802 1 1563 . 1 1 127 127 VAL HG21 H 1 1.063 0.006 . 2 . . . . 148 VAL MG2 . 25802 1 1564 . 1 1 127 127 VAL HG22 H 1 1.063 0.006 . 2 . . . . 148 VAL MG2 . 25802 1 1565 . 1 1 127 127 VAL HG23 H 1 1.063 0.006 . 2 . . . . 148 VAL MG2 . 25802 1 1566 . 1 1 127 127 VAL C C 13 175.790 0.001 . 1 . . . . 148 VAL C . 25802 1 1567 . 1 1 127 127 VAL CA C 13 62.028 0.091 . 1 . . . . 148 VAL CA . 25802 1 1568 . 1 1 127 127 VAL CB C 13 33.863 0.067 . 1 . . . . 148 VAL CB . 25802 1 1569 . 1 1 127 127 VAL CG1 C 13 21.009 0.081 . 2 . . . . 148 VAL CG1 . 25802 1 1570 . 1 1 127 127 VAL CG2 C 13 22.160 0.023 . 2 . . . . 148 VAL CG2 . 25802 1 1571 . 1 1 127 127 VAL N N 15 119.219 0.063 . 1 . . . . 148 VAL N . 25802 1 1572 . 1 1 128 128 GLU H H 1 8.750 0.004 . 1 . . . . 149 GLU H . 25802 1 1573 . 1 1 128 128 GLU HA H 1 4.338 0.007 . 1 . . . . 149 GLU HA . 25802 1 1574 . 1 1 128 128 GLU HB2 H 1 1.872 0.008 . 2 . . . . 149 GLU HB2 . 25802 1 1575 . 1 1 128 128 GLU HB3 H 1 2.136 0.010 . 2 . . . . 149 GLU HB3 . 25802 1 1576 . 1 1 128 128 GLU HG2 H 1 2.198 0.006 . 2 . . . . 149 GLU HG2 . 25802 1 1577 . 1 1 128 128 GLU HG3 H 1 2.257 0.020 . 2 . . . . 149 GLU HG3 . 25802 1 1578 . 1 1 128 128 GLU C C 13 175.602 0.001 . 1 . . . . 149 GLU C . 25802 1 1579 . 1 1 128 128 GLU CA C 13 56.660 0.072 . 1 . . . . 149 GLU CA . 25802 1 1580 . 1 1 128 128 GLU CB C 13 30.601 0.092 . 1 . . . . 149 GLU CB . 25802 1 1581 . 1 1 128 128 GLU CG C 13 36.574 0.070 . 1 . . . . 149 GLU CG . 25802 1 1582 . 1 1 128 128 GLU N N 15 124.048 0.054 . 1 . . . . 149 GLU N . 25802 1 1583 . 1 1 129 129 GLY H H 1 7.529 0.003 . 1 . . . . 150 GLY H . 25802 1 1584 . 1 1 129 129 GLY HA2 H 1 3.832 0.008 . 2 . . . . 150 GLY HA2 . 25802 1 1585 . 1 1 129 129 GLY HA3 H 1 3.888 0.004 . 2 . . . . 150 GLY HA3 . 25802 1 1586 . 1 1 129 129 GLY C C 13 172.115 0.005 . 1 . . . . 150 GLY C . 25802 1 1587 . 1 1 129 129 GLY CA C 13 45.842 0.055 . 1 . . . . 150 GLY CA . 25802 1 1588 . 1 1 129 129 GLY N N 15 107.813 0.054 . 1 . . . . 150 GLY N . 25802 1 1589 . 1 1 130 130 THR H H 1 7.976 0.004 . 1 . . . . 151 THR H . 25802 1 1590 . 1 1 130 130 THR HA H 1 4.455 0.004 . 1 . . . . 151 THR HA . 25802 1 1591 . 1 1 130 130 THR HB H 1 3.623 0.005 . 1 . . . . 151 THR HB . 25802 1 1592 . 1 1 130 130 THR HG21 H 1 1.054 0.008 . 1 . . . . 151 THR MG . 25802 1 1593 . 1 1 130 130 THR HG22 H 1 1.054 0.008 . 1 . . . . 151 THR MG . 25802 1 1594 . 1 1 130 130 THR HG23 H 1 1.054 0.008 . 1 . . . . 151 THR MG . 25802 1 1595 . 1 1 130 130 THR C C 13 171.470 0.005 . 1 . . . . 151 THR C . 25802 1 1596 . 1 1 130 130 THR CA C 13 61.899 0.068 . 1 . . . . 151 THR CA . 25802 1 1597 . 1 1 130 130 THR CB C 13 72.125 0.150 . 1 . . . . 151 THR CB . 25802 1 1598 . 1 1 130 130 THR CG2 C 13 22.072 0.044 . 1 . . . . 151 THR CG2 . 25802 1 1599 . 1 1 130 130 THR N N 15 118.111 0.046 . 1 . . . . 151 THR N . 25802 1 1600 . 1 1 131 131 LEU H H 1 8.746 0.006 . 1 . . . . 152 LEU H . 25802 1 1601 . 1 1 131 131 LEU HA H 1 5.127 0.007 . 1 . . . . 152 LEU HA . 25802 1 1602 . 1 1 131 131 LEU HB2 H 1 1.413 0.006 . 2 . . . . 152 LEU HB2 . 25802 1 1603 . 1 1 131 131 LEU HB3 H 1 1.729 0.003 . 2 . . . . 152 LEU HB3 . 25802 1 1604 . 1 1 131 131 LEU HG H 1 1.576 0.008 . 1 . . . . 152 LEU HG . 25802 1 1605 . 1 1 131 131 LEU HD11 H 1 0.761 0.005 . 2 . . . . 152 LEU MD1 . 25802 1 1606 . 1 1 131 131 LEU HD12 H 1 0.761 0.005 . 2 . . . . 152 LEU MD1 . 25802 1 1607 . 1 1 131 131 LEU HD13 H 1 0.761 0.005 . 2 . . . . 152 LEU MD1 . 25802 1 1608 . 1 1 131 131 LEU HD21 H 1 0.764 0.005 . 2 . . . . 152 LEU MD2 . 25802 1 1609 . 1 1 131 131 LEU HD22 H 1 0.764 0.005 . 2 . . . . 152 LEU MD2 . 25802 1 1610 . 1 1 131 131 LEU HD23 H 1 0.764 0.005 . 2 . . . . 152 LEU MD2 . 25802 1 1611 . 1 1 131 131 LEU C C 13 175.229 0.005 . 1 . . . . 152 LEU C . 25802 1 1612 . 1 1 131 131 LEU CA C 13 53.771 0.105 . 1 . . . . 152 LEU CA . 25802 1 1613 . 1 1 131 131 LEU CB C 13 44.715 0.101 . 1 . . . . 152 LEU CB . 25802 1 1614 . 1 1 131 131 LEU CG C 13 27.763 0.088 . 1 . . . . 152 LEU CG . 25802 1 1615 . 1 1 131 131 LEU CD1 C 13 25.086 0.054 . 2 . . . . 152 LEU CD1 . 25802 1 1616 . 1 1 131 131 LEU CD2 C 13 26.518 0.079 . 2 . . . . 152 LEU CD2 . 25802 1 1617 . 1 1 131 131 LEU N N 15 128.051 0.056 . 1 . . . . 152 LEU N . 25802 1 1618 . 1 1 132 132 CYS H H 1 8.766 0.005 . 1 . . . . 153 CYS H . 25802 1 1619 . 1 1 132 132 CYS HA H 1 5.448 0.009 . 1 . . . . 153 CYS HA . 25802 1 1620 . 1 1 132 132 CYS HB2 H 1 2.230 0.007 . 2 . . . . 153 CYS HB2 . 25802 1 1621 . 1 1 132 132 CYS HB3 H 1 2.972 0.006 . 2 . . . . 153 CYS HB3 . 25802 1 1622 . 1 1 132 132 CYS C C 13 172.919 0.008 . 1 . . . . 153 CYS C . 25802 1 1623 . 1 1 132 132 CYS CA C 13 52.119 0.066 . 1 . . . . 153 CYS CA . 25802 1 1624 . 1 1 132 132 CYS CB C 13 40.116 0.089 . 1 . . . . 153 CYS CB . 25802 1 1625 . 1 1 132 132 CYS N N 15 121.008 0.073 . 1 . . . . 153 CYS N . 25802 1 1626 . 1 1 133 133 LYS H H 1 9.216 0.004 . 1 . . . . 154 LYS H . 25802 1 1627 . 1 1 133 133 LYS HA H 1 5.599 0.013 . 1 . . . . 154 LYS HA . 25802 1 1628 . 1 1 133 133 LYS HB2 H 1 1.506 0.007 . 2 . . . . 154 LYS HB2 . 25802 1 1629 . 1 1 133 133 LYS HB3 H 1 1.694 0.009 . 2 . . . . 154 LYS HB3 . 25802 1 1630 . 1 1 133 133 LYS HG2 H 1 0.826 0.009 . 2 . . . . 154 LYS HG2 . 25802 1 1631 . 1 1 133 133 LYS HG3 H 1 1.042 0.009 . 2 . . . . 154 LYS HG3 . 25802 1 1632 . 1 1 133 133 LYS HD2 H 1 1.761 0.006 . 1 . . . . 154 LYS HD2 . 25802 1 1633 . 1 1 133 133 LYS HD3 H 1 1.761 0.006 . 1 . . . . 154 LYS HD3 . 25802 1 1634 . 1 1 133 133 LYS HE2 H 1 2.939 0.007 . 1 . . . . 154 LYS HE2 . 25802 1 1635 . 1 1 133 133 LYS HE3 H 1 2.939 0.007 . 1 . . . . 154 LYS HE3 . 25802 1 1636 . 1 1 133 133 LYS C C 13 175.108 0.012 . 1 . . . . 154 LYS C . 25802 1 1637 . 1 1 133 133 LYS CA C 13 54.879 0.070 . 1 . . . . 154 LYS CA . 25802 1 1638 . 1 1 133 133 LYS CB C 13 38.682 0.069 . 1 . . . . 154 LYS CB . 25802 1 1639 . 1 1 133 133 LYS CG C 13 25.015 0.124 . 1 . . . . 154 LYS CG . 25802 1 1640 . 1 1 133 133 LYS CD C 13 31.154 0.087 . 1 . . . . 154 LYS CD . 25802 1 1641 . 1 1 133 133 LYS CE C 13 42.222 0.038 . 1 . . . . 154 LYS CE . 25802 1 1642 . 1 1 133 133 LYS N N 15 121.674 0.090 . 1 . . . . 154 LYS N . 25802 1 1643 . 1 1 134 134 THR H H 1 9.070 0.005 . 1 . . . . 155 THR H . 25802 1 1644 . 1 1 134 134 THR HA H 1 4.727 0.008 . 1 . . . . 155 THR HA . 25802 1 1645 . 1 1 134 134 THR HB H 1 4.048 0.004 . 1 . . . . 155 THR HB . 25802 1 1646 . 1 1 134 134 THR HG21 H 1 0.813 0.005 . 1 . . . . 155 THR MG . 25802 1 1647 . 1 1 134 134 THR HG22 H 1 0.813 0.005 . 1 . . . . 155 THR MG . 25802 1 1648 . 1 1 134 134 THR HG23 H 1 0.813 0.005 . 1 . . . . 155 THR MG . 25802 1 1649 . 1 1 134 134 THR C C 13 171.535 0.008 . 1 . . . . 155 THR C . 25802 1 1650 . 1 1 134 134 THR CA C 13 60.608 0.111 . 1 . . . . 155 THR CA . 25802 1 1651 . 1 1 134 134 THR CB C 13 70.966 0.104 . 1 . . . . 155 THR CB . 25802 1 1652 . 1 1 134 134 THR CG2 C 13 19.706 0.113 . 1 . . . . 155 THR CG2 . 25802 1 1653 . 1 1 134 134 THR N N 15 120.290 0.070 . 1 . . . . 155 THR N . 25802 1 1654 . 1 1 135 135 ALA H H 1 8.137 0.004 . 1 . . . . 156 ALA H . 25802 1 1655 . 1 1 135 135 ALA HA H 1 4.666 0.011 . 1 . . . . 156 ALA HA . 25802 1 1656 . 1 1 135 135 ALA HB1 H 1 1.371 0.006 . 1 . . . . 156 ALA MB . 25802 1 1657 . 1 1 135 135 ALA HB2 H 1 1.371 0.006 . 1 . . . . 156 ALA MB . 25802 1 1658 . 1 1 135 135 ALA HB3 H 1 1.371 0.006 . 1 . . . . 156 ALA MB . 25802 1 1659 . 1 1 135 135 ALA C C 13 177.887 0.007 . 1 . . . . 156 ALA C . 25802 1 1660 . 1 1 135 135 ALA CA C 13 52.143 0.092 . 1 . . . . 156 ALA CA . 25802 1 1661 . 1 1 135 135 ALA CB C 13 20.066 0.040 . 1 . . . . 156 ALA CB . 25802 1 1662 . 1 1 135 135 ALA N N 15 128.000 0.090 . 1 . . . . 156 ALA N . 25802 1 1663 . 1 1 136 136 ILE H H 1 7.952 0.006 . 1 . . . . 157 ILE H . 25802 1 1664 . 1 1 136 136 ILE HA H 1 4.179 0.005 . 1 . . . . 157 ILE HA . 25802 1 1665 . 1 1 136 136 ILE HB H 1 1.604 0.004 . 1 . . . . 157 ILE HB . 25802 1 1666 . 1 1 136 136 ILE HG12 H 1 0.940 0.008 . 2 . . . . 157 ILE HG12 . 25802 1 1667 . 1 1 136 136 ILE HG13 H 1 1.355 0.003 . 2 . . . . 157 ILE HG13 . 25802 1 1668 . 1 1 136 136 ILE HG21 H 1 0.715 0.005 . 1 . . . . 157 ILE MG . 25802 1 1669 . 1 1 136 136 ILE HG22 H 1 0.715 0.005 . 1 . . . . 157 ILE MG . 25802 1 1670 . 1 1 136 136 ILE HG23 H 1 0.715 0.005 . 1 . . . . 157 ILE MG . 25802 1 1671 . 1 1 136 136 ILE HD11 H 1 0.734 0.006 . 1 . . . . 157 ILE MD . 25802 1 1672 . 1 1 136 136 ILE HD12 H 1 0.734 0.006 . 1 . . . . 157 ILE MD . 25802 1 1673 . 1 1 136 136 ILE HD13 H 1 0.734 0.006 . 1 . . . . 157 ILE MD . 25802 1 1674 . 1 1 136 136 ILE CA C 13 59.805 0.112 . 1 . . . . 157 ILE CA . 25802 1 1675 . 1 1 136 136 ILE CB C 13 38.613 0.037 . 1 . . . . 157 ILE CB . 25802 1 1676 . 1 1 136 136 ILE CG1 C 13 27.956 0.105 . 1 . . . . 157 ILE CG1 . 25802 1 1677 . 1 1 136 136 ILE CG2 C 13 17.296 0.081 . 1 . . . . 157 ILE CG2 . 25802 1 1678 . 1 1 136 136 ILE CD1 C 13 13.946 0.030 . 1 . . . . 157 ILE CD1 . 25802 1 1679 . 1 1 136 136 ILE N N 15 121.557 0.155 . 1 . . . . 157 ILE N . 25802 1 1680 . 1 1 137 137 PRO HA H 1 4.331 0.005 . 1 . . . . 158 PRO HA . 25802 1 1681 . 1 1 137 137 PRO HB2 H 1 1.799 0.008 . 2 . . . . 158 PRO HB2 . 25802 1 1682 . 1 1 137 137 PRO HB3 H 1 2.118 0.005 . 2 . . . . 158 PRO HB3 . 25802 1 1683 . 1 1 137 137 PRO HG2 H 1 1.873 0.005 . 1 . . . . 158 PRO HG2 . 25802 1 1684 . 1 1 137 137 PRO HG3 H 1 1.873 0.005 . 1 . . . . 158 PRO HG3 . 25802 1 1685 . 1 1 137 137 PRO HD2 H 1 3.618 0.005 . 2 . . . . 158 PRO HD2 . 25802 1 1686 . 1 1 137 137 PRO HD3 H 1 3.794 0.007 . 2 . . . . 158 PRO HD3 . 25802 1 1687 . 1 1 137 137 PRO C C 13 176.206 0.001 . 1 . . . . 158 PRO C . 25802 1 1688 . 1 1 137 137 PRO CA C 13 63.301 0.043 . 1 . . . . 158 PRO CA . 25802 1 1689 . 1 1 137 137 PRO CB C 13 31.632 0.060 . 1 . . . . 158 PRO CB . 25802 1 1690 . 1 1 137 137 PRO CG C 13 27.329 0.054 . 1 . . . . 158 PRO CG . 25802 1 1691 . 1 1 137 137 PRO CD C 13 51.045 0.055 . 1 . . . . 158 PRO CD . 25802 1 1692 . 1 1 138 138 TYR H H 1 7.827 0.003 . 1 . . . . 159 TYR H . 25802 1 1693 . 1 1 138 138 TYR HA H 1 4.476 0.003 . 1 . . . . 159 TYR HA . 25802 1 1694 . 1 1 138 138 TYR HB2 H 1 2.945 0.005 . 1 . . . . 159 TYR HB2 . 25802 1 1695 . 1 1 138 138 TYR HB3 H 1 2.945 0.005 . 1 . . . . 159 TYR HB3 . 25802 1 1696 . 1 1 138 138 TYR HD1 H 1 7.071 0.005 . 1 . . . . 159 TYR HD1 . 25802 1 1697 . 1 1 138 138 TYR HD2 H 1 7.071 0.005 . 1 . . . . 159 TYR HD2 . 25802 1 1698 . 1 1 138 138 TYR HE1 H 1 6.779 0.008 . 1 . . . . 159 TYR HE1 . 25802 1 1699 . 1 1 138 138 TYR HE2 H 1 6.779 0.008 . 1 . . . . 159 TYR HE2 . 25802 1 1700 . 1 1 138 138 TYR C C 13 175.331 0.005 . 1 . . . . 159 TYR C . 25802 1 1701 . 1 1 138 138 TYR CA C 13 57.815 0.059 . 1 . . . . 159 TYR CA . 25802 1 1702 . 1 1 138 138 TYR CB C 13 38.787 0.092 . 1 . . . . 159 TYR CB . 25802 1 1703 . 1 1 138 138 TYR CD1 C 13 133.191 0.127 . 1 . . . . 159 TYR CD1 . 25802 1 1704 . 1 1 138 138 TYR CD2 C 13 133.191 0.127 . 1 . . . . 159 TYR CD2 . 25802 1 1705 . 1 1 138 138 TYR CE1 C 13 118.263 0.109 . 1 . . . . 159 TYR CE1 . 25802 1 1706 . 1 1 138 138 TYR CE2 C 13 118.263 0.109 . 1 . . . . 159 TYR CE2 . 25802 1 1707 . 1 1 138 138 TYR N N 15 120.116 0.083 . 1 . . . . 159 TYR N . 25802 1 1708 . 1 1 139 139 LYS H H 1 8.029 0.003 . 1 . . . . 160 LYS H . 25802 1 1709 . 1 1 139 139 LYS HA H 1 4.268 0.004 . 1 . . . . 160 LYS HA . 25802 1 1710 . 1 1 139 139 LYS HB2 H 1 1.644 0.008 . 2 . . . . 160 LYS HB2 . 25802 1 1711 . 1 1 139 139 LYS HB3 H 1 1.770 0.004 . 2 . . . . 160 LYS HB3 . 25802 1 1712 . 1 1 139 139 LYS HG2 H 1 1.329 0.007 . 1 . . . . 160 LYS HG2 . 25802 1 1713 . 1 1 139 139 LYS HG3 H 1 1.329 0.007 . 1 . . . . 160 LYS HG3 . 25802 1 1714 . 1 1 139 139 LYS HD2 H 1 1.627 0.004 . 1 . . . . 160 LYS HD2 . 25802 1 1715 . 1 1 139 139 LYS HD3 H 1 1.627 0.004 . 1 . . . . 160 LYS HD3 . 25802 1 1716 . 1 1 139 139 LYS HE2 H 1 2.947 0.009 . 1 . . . . 160 LYS HE2 . 25802 1 1717 . 1 1 139 139 LYS HE3 H 1 2.947 0.009 . 1 . . . . 160 LYS HE3 . 25802 1 1718 . 1 1 139 139 LYS C C 13 174.995 0.007 . 1 . . . . 160 LYS C . 25802 1 1719 . 1 1 139 139 LYS CA C 13 56.050 0.062 . 1 . . . . 160 LYS CA . 25802 1 1720 . 1 1 139 139 LYS CB C 13 33.084 0.055 . 1 . . . . 160 LYS CB . 25802 1 1721 . 1 1 139 139 LYS CG C 13 24.543 0.061 . 1 . . . . 160 LYS CG . 25802 1 1722 . 1 1 139 139 LYS CD C 13 28.967 0.065 . 1 . . . . 160 LYS CD . 25802 1 1723 . 1 1 139 139 LYS CE C 13 42.153 0.060 . 1 . . . . 160 LYS CE . 25802 1 1724 . 1 1 139 139 LYS N N 15 123.949 0.061 . 1 . . . . 160 LYS N . 25802 1 1725 . 1 1 140 140 ARG H H 1 7.852 0.004 . 1 . . . . 161 ARG H . 25802 1 1726 . 1 1 140 140 ARG HA H 1 4.117 0.004 . 1 . . . . 161 ARG HA . 25802 1 1727 . 1 1 140 140 ARG HB2 H 1 1.670 0.008 . 2 . . . . 161 ARG HB2 . 25802 1 1728 . 1 1 140 140 ARG HB3 H 1 1.811 0.005 . 2 . . . . 161 ARG HB3 . 25802 1 1729 . 1 1 140 140 ARG HG2 H 1 1.564 0.005 . 1 . . . . 161 ARG HG2 . 25802 1 1730 . 1 1 140 140 ARG HG3 H 1 1.564 0.005 . 1 . . . . 161 ARG HG3 . 25802 1 1731 . 1 1 140 140 ARG HD2 H 1 3.158 0.007 . 1 . . . . 161 ARG HD2 . 25802 1 1732 . 1 1 140 140 ARG HD3 H 1 3.158 0.007 . 1 . . . . 161 ARG HD3 . 25802 1 1733 . 1 1 140 140 ARG HE H 1 7.150 0.003 . 1 . . . . 161 ARG HE . 25802 1 1734 . 1 1 140 140 ARG C C 13 180.952 0.000 . 1 . . . . 161 ARG C . 25802 1 1735 . 1 1 140 140 ARG CA C 13 57.503 0.046 . 1 . . . . 161 ARG CA . 25802 1 1736 . 1 1 140 140 ARG CB C 13 31.563 0.051 . 1 . . . . 161 ARG CB . 25802 1 1737 . 1 1 140 140 ARG CG C 13 27.307 0.064 . 1 . . . . 161 ARG CG . 25802 1 1738 . 1 1 140 140 ARG CD C 13 43.632 0.085 . 1 . . . . 161 ARG CD . 25802 1 1739 . 1 1 140 140 ARG N N 15 128.524 0.058 . 1 . . . . 161 ARG N . 25802 1 1740 . 1 1 140 140 ARG NE N 15 85.265 0.164 . 1 . . . . 161 ARG NE . 25802 1 stop_ save_