data_16379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16379 _Entry.Title ; Solution structure of Interleukin 1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-30 _Entry.Accession_date 2009-06-30 _Entry.Last_release_date 2009-06-30 _Entry.Original_release_date 2009-06-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sepuru Mohan . K. . . 16379 2 Hsuan-Kuo Chang . . . . 16379 3 Yu Chin . . . . 16379 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 16379 '15N chemical shifts' 129 16379 '1H chemical shifts' 759 16379 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-06-30 update BMRB 'complete entry citation' 16379 1 . . 2010-03-10 2009-06-30 original author 'original release' 16379 stop_ save_ ############### # Citations # ############### save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 16379 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20108067 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone and side chain resonance assignments of human interleukin 1alpha. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _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 59 _Citation.Page_last 60 _Citation.Year 2010 _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 Hsuan-Kuo Chang . . . . 16379 1 2 Sepuru Mohan . K. . . 16379 1 3 Yu Chin . . . . 16379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16379 _Assembly.ID 1 _Assembly.Name 'human interleukin 1alpha' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 16379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16379 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human interleukin 1alpha' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NVKYNFMRIIKYEFILNDAL NQSIIRANDQYLTAAALHNL DEAVKFDMGAYKSSKDDAKI TVILRISKTQLYVTAQDEDQ PVLLKEMPEIPKTITGSETN LLFFWETHGTKNYFTSVAHP NLFIATKQDYWVCLAGGPPS ITDFQILENQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17227.705 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 9 ASN . 16379 1 2 10 VAL . 16379 1 3 11 LYS . 16379 1 4 12 TYR . 16379 1 5 13 ASN . 16379 1 6 14 PHE . 16379 1 7 15 MET . 16379 1 8 16 ARG . 16379 1 9 17 ILE . 16379 1 10 18 ILE . 16379 1 11 19 LYS . 16379 1 12 20 TYR . 16379 1 13 21 GLU . 16379 1 14 22 PHE . 16379 1 15 23 ILE . 16379 1 16 24 LEU . 16379 1 17 25 ASN . 16379 1 18 26 ASP . 16379 1 19 27 ALA . 16379 1 20 28 LEU . 16379 1 21 29 ASN . 16379 1 22 30 GLN . 16379 1 23 31 SER . 16379 1 24 32 ILE . 16379 1 25 33 ILE . 16379 1 26 34 ARG . 16379 1 27 35 ALA . 16379 1 28 36 ASN . 16379 1 29 37 ASP . 16379 1 30 38 GLN . 16379 1 31 39 TYR . 16379 1 32 40 LEU . 16379 1 33 41 THR . 16379 1 34 42 ALA . 16379 1 35 43 ALA . 16379 1 36 44 ALA . 16379 1 37 45 LEU . 16379 1 38 46 HIS . 16379 1 39 47 ASN . 16379 1 40 48 LEU . 16379 1 41 49 ASP . 16379 1 42 50 GLU . 16379 1 43 51 ALA . 16379 1 44 52 VAL . 16379 1 45 53 LYS . 16379 1 46 54 PHE . 16379 1 47 55 ASP . 16379 1 48 56 MET . 16379 1 49 57 GLY . 16379 1 50 58 ALA . 16379 1 51 59 TYR . 16379 1 52 60 LYS . 16379 1 53 61 SER . 16379 1 54 62 SER . 16379 1 55 63 LYS . 16379 1 56 64 ASP . 16379 1 57 65 ASP . 16379 1 58 66 ALA . 16379 1 59 67 LYS . 16379 1 60 68 ILE . 16379 1 61 69 THR . 16379 1 62 70 VAL . 16379 1 63 71 ILE . 16379 1 64 72 LEU . 16379 1 65 73 ARG . 16379 1 66 74 ILE . 16379 1 67 75 SER . 16379 1 68 76 LYS . 16379 1 69 77 THR . 16379 1 70 78 GLN . 16379 1 71 79 LEU . 16379 1 72 80 TYR . 16379 1 73 81 VAL . 16379 1 74 82 THR . 16379 1 75 83 ALA . 16379 1 76 84 GLN . 16379 1 77 85 ASP . 16379 1 78 86 GLU . 16379 1 79 87 ASP . 16379 1 80 88 GLN . 16379 1 81 89 PRO . 16379 1 82 90 VAL . 16379 1 83 91 LEU . 16379 1 84 92 LEU . 16379 1 85 93 LYS . 16379 1 86 94 GLU . 16379 1 87 95 MET . 16379 1 88 96 PRO . 16379 1 89 97 GLU . 16379 1 90 98 ILE . 16379 1 91 99 PRO . 16379 1 92 100 LYS . 16379 1 93 101 THR . 16379 1 94 102 ILE . 16379 1 95 103 THR . 16379 1 96 104 GLY . 16379 1 97 105 SER . 16379 1 98 106 GLU . 16379 1 99 107 THR . 16379 1 100 108 ASN . 16379 1 101 109 LEU . 16379 1 102 110 LEU . 16379 1 103 111 PHE . 16379 1 104 112 PHE . 16379 1 105 113 TRP . 16379 1 106 114 GLU . 16379 1 107 115 THR . 16379 1 108 116 HIS . 16379 1 109 117 GLY . 16379 1 110 118 THR . 16379 1 111 119 LYS . 16379 1 112 120 ASN . 16379 1 113 121 TYR . 16379 1 114 122 PHE . 16379 1 115 123 THR . 16379 1 116 124 SER . 16379 1 117 125 VAL . 16379 1 118 126 ALA . 16379 1 119 127 HIS . 16379 1 120 128 PRO . 16379 1 121 129 ASN . 16379 1 122 130 LEU . 16379 1 123 131 PHE . 16379 1 124 132 ILE . 16379 1 125 133 ALA . 16379 1 126 134 THR . 16379 1 127 135 LYS . 16379 1 128 136 GLN . 16379 1 129 137 ASP . 16379 1 130 138 TYR . 16379 1 131 139 TRP . 16379 1 132 140 VAL . 16379 1 133 141 CYS . 16379 1 134 142 LEU . 16379 1 135 143 ALA . 16379 1 136 144 GLY . 16379 1 137 145 GLY . 16379 1 138 146 PRO . 16379 1 139 147 PRO . 16379 1 140 148 SER . 16379 1 141 149 ILE . 16379 1 142 150 THR . 16379 1 143 151 ASP . 16379 1 144 152 PHE . 16379 1 145 153 GLN . 16379 1 146 154 ILE . 16379 1 147 155 LEU . 16379 1 148 156 GLU . 16379 1 149 157 ASN . 16379 1 150 158 GLN . 16379 1 151 159 ALA . 16379 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 . ASN 1 1 16379 1 . VAL 2 2 16379 1 . LYS 3 3 16379 1 . TYR 4 4 16379 1 . ASN 5 5 16379 1 . PHE 6 6 16379 1 . MET 7 7 16379 1 . ARG 8 8 16379 1 . ILE 9 9 16379 1 . ILE 10 10 16379 1 . LYS 11 11 16379 1 . TYR 12 12 16379 1 . GLU 13 13 16379 1 . PHE 14 14 16379 1 . ILE 15 15 16379 1 . LEU 16 16 16379 1 . ASN 17 17 16379 1 . ASP 18 18 16379 1 . ALA 19 19 16379 1 . LEU 20 20 16379 1 . ASN 21 21 16379 1 . GLN 22 22 16379 1 . SER 23 23 16379 1 . ILE 24 24 16379 1 . ILE 25 25 16379 1 . ARG 26 26 16379 1 . ALA 27 27 16379 1 . ASN 28 28 16379 1 . ASP 29 29 16379 1 . GLN 30 30 16379 1 . TYR 31 31 16379 1 . LEU 32 32 16379 1 . THR 33 33 16379 1 . ALA 34 34 16379 1 . ALA 35 35 16379 1 . ALA 36 36 16379 1 . LEU 37 37 16379 1 . HIS 38 38 16379 1 . ASN 39 39 16379 1 . LEU 40 40 16379 1 . ASP 41 41 16379 1 . GLU 42 42 16379 1 . ALA 43 43 16379 1 . VAL 44 44 16379 1 . LYS 45 45 16379 1 . PHE 46 46 16379 1 . ASP 47 47 16379 1 . MET 48 48 16379 1 . GLY 49 49 16379 1 . ALA 50 50 16379 1 . TYR 51 51 16379 1 . LYS 52 52 16379 1 . SER 53 53 16379 1 . SER 54 54 16379 1 . LYS 55 55 16379 1 . ASP 56 56 16379 1 . ASP 57 57 16379 1 . ALA 58 58 16379 1 . LYS 59 59 16379 1 . ILE 60 60 16379 1 . THR 61 61 16379 1 . VAL 62 62 16379 1 . ILE 63 63 16379 1 . LEU 64 64 16379 1 . ARG 65 65 16379 1 . ILE 66 66 16379 1 . SER 67 67 16379 1 . LYS 68 68 16379 1 . THR 69 69 16379 1 . GLN 70 70 16379 1 . LEU 71 71 16379 1 . TYR 72 72 16379 1 . VAL 73 73 16379 1 . THR 74 74 16379 1 . ALA 75 75 16379 1 . GLN 76 76 16379 1 . ASP 77 77 16379 1 . GLU 78 78 16379 1 . ASP 79 79 16379 1 . GLN 80 80 16379 1 . PRO 81 81 16379 1 . VAL 82 82 16379 1 . LEU 83 83 16379 1 . LEU 84 84 16379 1 . LYS 85 85 16379 1 . GLU 86 86 16379 1 . MET 87 87 16379 1 . PRO 88 88 16379 1 . GLU 89 89 16379 1 . ILE 90 90 16379 1 . PRO 91 91 16379 1 . LYS 92 92 16379 1 . THR 93 93 16379 1 . ILE 94 94 16379 1 . THR 95 95 16379 1 . GLY 96 96 16379 1 . SER 97 97 16379 1 . GLU 98 98 16379 1 . THR 99 99 16379 1 . ASN 100 100 16379 1 . LEU 101 101 16379 1 . LEU 102 102 16379 1 . PHE 103 103 16379 1 . PHE 104 104 16379 1 . TRP 105 105 16379 1 . GLU 106 106 16379 1 . THR 107 107 16379 1 . HIS 108 108 16379 1 . GLY 109 109 16379 1 . THR 110 110 16379 1 . LYS 111 111 16379 1 . ASN 112 112 16379 1 . TYR 113 113 16379 1 . PHE 114 114 16379 1 . THR 115 115 16379 1 . SER 116 116 16379 1 . VAL 117 117 16379 1 . ALA 118 118 16379 1 . HIS 119 119 16379 1 . PRO 120 120 16379 1 . ASN 121 121 16379 1 . LEU 122 122 16379 1 . PHE 123 123 16379 1 . ILE 124 124 16379 1 . ALA 125 125 16379 1 . THR 126 126 16379 1 . LYS 127 127 16379 1 . GLN 128 128 16379 1 . ASP 129 129 16379 1 . TYR 130 130 16379 1 . TRP 131 131 16379 1 . VAL 132 132 16379 1 . CYS 133 133 16379 1 . LEU 134 134 16379 1 . ALA 135 135 16379 1 . GLY 136 136 16379 1 . GLY 137 137 16379 1 . PRO 138 138 16379 1 . PRO 139 139 16379 1 . SER 140 140 16379 1 . ILE 141 141 16379 1 . THR 142 142 16379 1 . ASP 143 143 16379 1 . PHE 144 144 16379 1 . GLN 145 145 16379 1 . ILE 146 146 16379 1 . LEU 147 147 16379 1 . GLU 148 148 16379 1 . ASN 149 149 16379 1 . GLN 150 150 16379 1 . ALA 151 151 16379 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 16379 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens BL21DE3 . . . . . . . . . . . . 16379 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 16379 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . pET(20b)+ . . . 16379 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16379 _Sample.ID 1 _Sample.Name . _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 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16379 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16379 1 3 'human interleukin 1alpha' 'natural abundance' . . 1 $entity . . 1.4 . . mM . . . . 16379 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16379 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16379 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 16379 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16379 1 pH 7.5 . pH 16379 1 pressure 1 . atm 16379 1 temperature 298 . K 16379 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 16379 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 1.1 _Software.DOI . _Software.Details 'ARIA 1.1 is using CNS 1.1' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr 16379 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Automated NOE assignment' 16379 1 . 'NMR structure calculation' 16379 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 1 $reference_1 16379 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16379 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details 'For chemical shift assignment and peak picking in 3D NOESY' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16379 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 16379 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16379 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details 'For dihedral angle restrains' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16379 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'dihedral angles' 16379 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16379 _Software.ID 4 _Software.Type . _Software.Name VNMRJ _Software.Version VNMRJ_2.2C _Software.DOI . _Software.Details 'For spectra processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16379 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 16379 4 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 16379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16379 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian VNMRS . 700 . . . 16379 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 16379 _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 . . . . . . . . . . . . . . . . 16379 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16379 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_IL_1a_Chemical_shifts _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode IL_1a_Chemical_shifts _Chem_shift_reference.Entry_ID 16379 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 TSP 'methyl carbon' . . . . ppm 0 internal direct 1.00 . . . . . 16379 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.00 . . . . . 16379 1 N 15 TSP nitrogen . . . . ppm 0 internal direct 1.00 . . . . . 16379 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 16379 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $IL_1a_Chemical_shifts _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 'Derived from the file: /home/hanmin/krishna/ILA/run43/data/15N/15N.ppm' _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' . . . 16379 1 3 '3D HNCA' . . . 16379 1 4 '3D HNCO' . . . 16379 1 5 '3D HN(CO)CA' . . . 16379 1 6 '3D CBCA(CO)NH' . . . 16379 1 7 '3D HBHA(CO)NH' . . . 16379 1 8 '3D H(CCO)NH' . . . 16379 1 9 '3D HCCH-TOCSY' . . . 16379 1 10 '3D C(CO)NH' . . . 16379 1 11 '3D 1H-15N NOESY' . . . 16379 1 12 '3D 1H-13C NOESY' . . . 16379 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.586 0.003 . 1 . . . . . 9 ASN HA . 16379 1 2 . 1 1 1 1 ASN HB2 H 1 2.665 0.003 . 2 . . . . . 9 ASN HB . 16379 1 3 . 1 1 1 1 ASN HB3 H 1 2.665 0.003 . 2 . . . . . 9 ASN HB . 16379 1 4 . 1 1 1 1 ASN C C 13 174.686 0.003 . 1 . . . . . 9 ASN C . 16379 1 5 . 1 1 1 1 ASN CA C 13 53.49 0.003 . 1 . . . . . 9 ASN CA . 16379 1 6 . 1 1 1 1 ASN CB C 13 39.1 0.003 . 1 . . . . . 9 ASN CB . 16379 1 7 . 1 1 2 2 VAL H H 1 7.68 0.003 . 1 . . . . . 10 VAL H . 16379 1 8 . 1 1 2 2 VAL HA H 1 3.603 0.003 . 1 . . . . . 10 VAL HA . 16379 1 9 . 1 1 2 2 VAL HB H 1 1.724 0.003 . 1 . . . . . 10 VAL HB . 16379 1 10 . 1 1 2 2 VAL HG11 H 1 0.5065 0.003 . 2 . . . . . 10 VAL HG1 . 16379 1 11 . 1 1 2 2 VAL HG12 H 1 0.5065 0.003 . 2 . . . . . 10 VAL HG1 . 16379 1 12 . 1 1 2 2 VAL HG13 H 1 0.5065 0.003 . 2 . . . . . 10 VAL HG1 . 16379 1 13 . 1 1 2 2 VAL HG21 H 1 0.7364 0.003 . 2 . . . . . 10 VAL HG2 . 16379 1 14 . 1 1 2 2 VAL HG22 H 1 0.7364 0.003 . 2 . . . . . 10 VAL HG2 . 16379 1 15 . 1 1 2 2 VAL HG23 H 1 0.7364 0.003 . 2 . . . . . 10 VAL HG2 . 16379 1 16 . 1 1 2 2 VAL C C 13 174.644 0.003 . 1 . . . . . 10 VAL C . 16379 1 17 . 1 1 2 2 VAL CA C 13 63.44 0.003 . 1 . . . . . 10 VAL CA . 16379 1 18 . 1 1 2 2 VAL CB C 13 33.14 0.003 . 1 . . . . . 10 VAL CB . 16379 1 19 . 1 1 2 2 VAL CG1 C 13 21.8 0.003 . 2 . . . . . 10 VAL CG1 . 16379 1 20 . 1 1 2 2 VAL CG2 C 13 22.6 0.003 . 2 . . . . . 10 VAL CG2 . 16379 1 21 . 1 1 2 2 VAL N N 15 119.8 0.003 . 1 . . . . . 10 VAL N . 16379 1 22 . 1 1 3 3 LYS H H 1 8.184 0.003 . 1 . . . . . 11 LYS H . 16379 1 23 . 1 1 3 3 LYS HA H 1 4.631 0.003 . 1 . . . . . 11 LYS HA . 16379 1 24 . 1 1 3 3 LYS HB2 H 1 1.486 0.003 . 2 . . . . . 11 LYS HB . 16379 1 25 . 1 1 3 3 LYS HB3 H 1 1.486 0.003 . 2 . . . . . 11 LYS HB . 16379 1 26 . 1 1 3 3 LYS HE2 H 1 2.81 0.003 . 2 . . . . . 11 LYS HE . 16379 1 27 . 1 1 3 3 LYS HE3 H 1 2.81 0.003 . 2 . . . . . 11 LYS HE . 16379 1 28 . 1 1 3 3 LYS HG2 H 1 1.19 0.003 . 2 . . . . . 11 LYS HG . 16379 1 29 . 1 1 3 3 LYS HG3 H 1 1.19 0.003 . 2 . . . . . 11 LYS HG . 16379 1 30 . 1 1 3 3 LYS C C 13 173.812 0.003 . 1 . . . . . 11 LYS C . 16379 1 31 . 1 1 3 3 LYS CA C 13 55.55 0.003 . 1 . . . . . 11 LYS CA . 16379 1 32 . 1 1 3 3 LYS CB C 13 35.2 0.003 . 1 . . . . . 11 LYS CB . 16379 1 33 . 1 1 3 3 LYS CD C 13 29.73 0.003 . 1 . . . . . 11 LYS CD . 16379 1 34 . 1 1 3 3 LYS CG C 13 25.17 0.003 . 1 . . . . . 11 LYS CG . 16379 1 35 . 1 1 3 3 LYS N N 15 125.5 0.003 . 1 . . . . . 11 LYS N . 16379 1 36 . 1 1 4 4 TYR H H 1 8.746 0.003 . 1 . . . . . 12 TYR H . 16379 1 37 . 1 1 4 4 TYR HA H 1 4.903 0.003 . 1 . . . . . 12 TYR HA . 16379 1 38 . 1 1 4 4 TYR HB2 H 1 2.535 0.003 . 2 . . . . . 12 TYR HB . 16379 1 39 . 1 1 4 4 TYR HB3 H 1 2.535 0.003 . 2 . . . . . 12 TYR HB . 16379 1 40 . 1 1 4 4 TYR C C 13 175.036 0.003 . 1 . . . . . 12 TYR C . 16379 1 41 . 1 1 4 4 TYR CA C 13 57.46 0.003 . 1 . . . . . 12 TYR CA . 16379 1 42 . 1 1 4 4 TYR CB C 13 41.07 0.003 . 1 . . . . . 12 TYR CB . 16379 1 43 . 1 1 4 4 TYR N N 15 119.6 0.003 . 1 . . . . . 12 TYR N . 16379 1 44 . 1 1 5 5 ASN H H 1 8.963 0.003 . 1 . . . . . 13 ASN H . 16379 1 45 . 1 1 5 5 ASN HA H 1 5.655 0.003 . 1 . . . . . 13 ASN HA . 16379 1 46 . 1 1 5 5 ASN HB2 H 1 2.553 0.003 . 2 . . . . . 13 ASN HB2 . 16379 1 47 . 1 1 5 5 ASN HB3 H 1 2.581 0.003 . 2 . . . . . 13 ASN HB3 . 16379 1 48 . 1 1 5 5 ASN C C 13 174.696 0.003 . 1 . . . . . 13 ASN C . 16379 1 49 . 1 1 5 5 ASN CA C 13 52.77 0.003 . 1 . . . . . 13 ASN CA . 16379 1 50 . 1 1 5 5 ASN CB C 13 42.38 0.003 . 1 . . . . . 13 ASN CB . 16379 1 51 . 1 1 5 5 ASN N N 15 120.0 0.003 . 1 . . . . . 13 ASN N . 16379 1 52 . 1 1 6 6 PHE H H 1 8.815 0.003 . 1 . . . . . 14 PHE H . 16379 1 53 . 1 1 6 6 PHE HA H 1 3.081 0.003 . 1 . . . . . 14 PHE HA . 16379 1 54 . 1 1 6 6 PHE HB2 H 1 2.506 0.003 . 2 . . . . . 14 PHE HB . 16379 1 55 . 1 1 6 6 PHE HB3 H 1 2.506 0.003 . 2 . . . . . 14 PHE HB . 16379 1 56 . 1 1 6 6 PHE C C 13 174.799 0.003 . 1 . . . . . 14 PHE C . 16379 1 57 . 1 1 6 6 PHE CA C 13 59.37 0.003 . 1 . . . . . 14 PHE CA . 16379 1 58 . 1 1 6 6 PHE CB C 13 39.88 0.003 . 1 . . . . . 14 PHE CB . 16379 1 59 . 1 1 6 6 PHE N N 15 124.4 0.003 . 1 . . . . . 14 PHE N . 16379 1 60 . 1 1 7 7 MET H H 1 8.252 0.003 . 1 . . . . . 15 MET H . 16379 1 61 . 1 1 7 7 MET HA H 1 4.129 0.003 . 1 . . . . . 15 MET HA . 16379 1 62 . 1 1 7 7 MET HB2 H 1 1.458 0.003 . 2 . . . . . 15 MET HB2 . 16379 1 63 . 1 1 7 7 MET HB3 H 1 1.697 0.003 . 2 . . . . . 15 MET HB3 . 16379 1 64 . 1 1 7 7 MET HG2 H 1 2.27 0.003 . 2 . . . . . 15 MET HG . 16379 1 65 . 1 1 7 7 MET HG3 H 1 2.27 0.003 . 2 . . . . . 15 MET HG . 16379 1 66 . 1 1 7 7 MET C C 13 173.555 0.003 . 1 . . . . . 15 MET C . 16379 1 67 . 1 1 7 7 MET CA C 13 56.8 0.003 . 1 . . . . . 15 MET CA . 16379 1 68 . 1 1 7 7 MET CB C 13 35.14 0.003 . 1 . . . . . 15 MET CB . 16379 1 69 . 1 1 7 7 MET CG C 13 31.79 0.003 . 1 . . . . . 15 MET CG . 16379 1 70 . 1 1 7 7 MET N N 15 124.8 0.003 . 1 . . . . . 15 MET N . 16379 1 71 . 1 1 8 8 ARG H H 1 6.187 0.003 . 1 . . . . . 16 ARG H . 16379 1 72 . 1 1 8 8 ARG HA H 1 3.99 0.003 . 1 . . . . . 16 ARG HA . 16379 1 73 . 1 1 8 8 ARG HB2 H 1 1.865 0.003 . 2 . . . . . 16 ARG HB2 . 16379 1 74 . 1 1 8 8 ARG HB3 H 1 1.476 0.003 . 2 . . . . . 16 ARG HB3 . 16379 1 75 . 1 1 8 8 ARG HD2 H 1 1.093 0.003 . 1 . . . . . 16 ARG HD1 . 16379 1 76 . 1 1 8 8 ARG HD3 H 1 1.093 0.003 . 2 . . . . . 16 ARG HD2 . 16379 1 77 . 1 1 8 8 ARG HG2 H 1 0.887 0.003 . 1 . . . . . 16 ARG HG1 . 16379 1 78 . 1 1 8 8 ARG HG3 H 1 0.887 0.003 . 2 . . . . . 16 ARG HG2 . 16379 1 79 . 1 1 8 8 ARG C C 13 174.801 0.003 . 1 . . . . . 16 ARG C . 16379 1 80 . 1 1 8 8 ARG CA C 13 55.9 0.003 . 1 . . . . . 16 ARG CA . 16379 1 81 . 1 1 8 8 ARG CB C 13 31.27 0.003 . 1 . . . . . 16 ARG CB . 16379 1 82 . 1 1 8 8 ARG CD C 13 43.49 0.003 . 1 . . . . . 16 ARG CD . 16379 1 83 . 1 1 8 8 ARG CG C 13 25.66 0.003 . 1 . . . . . 16 ARG CG . 16379 1 84 . 1 1 8 8 ARG N N 15 108.4 0.003 . 1 . . . . . 16 ARG N . 16379 1 85 . 1 1 9 9 ILE H H 1 8.793 0.003 . 1 . . . . . 17 ILE H . 16379 1 86 . 1 1 9 9 ILE HA H 1 4.434 0.003 . 1 . . . . . 17 ILE HA . 16379 1 87 . 1 1 9 9 ILE HB H 1 1.093 0.003 . 1 . . . . . 17 ILE HB . 16379 1 88 . 1 1 9 9 ILE HD11 H 1 -0.093 0.003 . 1 . . . . . 17 ILE HD . 16379 1 89 . 1 1 9 9 ILE HD12 H 1 -0.093 0.003 . 1 . . . . . 17 ILE HD . 16379 1 90 . 1 1 9 9 ILE HD13 H 1 -0.093 0.003 . 1 . . . . . 17 ILE HD . 16379 1 91 . 1 1 9 9 ILE HG12 H 1 0.584 0.003 . 1 . . . . . 17 ILE HG11 . 16379 1 92 . 1 1 9 9 ILE HG13 H 1 0.584 0.003 . 2 . . . . . 17 ILE HG12 . 16379 1 93 . 1 1 9 9 ILE CA C 13 60.58 0.003 . 1 . . . . . 17 ILE CA . 16379 1 94 . 1 1 9 9 ILE CB C 13 35.62 0.003 . 1 . . . . . 17 ILE CB . 16379 1 95 . 1 1 9 9 ILE CG1 C 13 28.57 0.003 . 1 . . . . . 17 ILE CG1 . 16379 1 96 . 1 1 9 9 ILE CG2 C 13 18.24 0.003 . 1 . . . . . 17 ILE CG2 . 16379 1 97 . 1 1 9 9 ILE N N 15 120.0 0.003 . 1 . . . . . 17 ILE N . 16379 1 98 . 1 1 10 10 ILE H H 1 8.5428 0.003 . 1 . . . . . 18 ILE H . 16379 1 99 . 1 1 10 10 ILE HA H 1 4.425 0.003 . 1 . . . . . 18 ILE HA . 16379 1 100 . 1 1 10 10 ILE HB H 1 1.907 0.003 . 1 . . . . . 18 ILE HB . 16379 1 101 . 1 1 10 10 ILE HD11 H 1 0.825 0.003 . 1 . . . . . 18 ILE HD . 16379 1 102 . 1 1 10 10 ILE HD12 H 1 0.825 0.003 . 1 . . . . . 18 ILE HD . 16379 1 103 . 1 1 10 10 ILE HD13 H 1 0.825 0.003 . 1 . . . . . 18 ILE HD . 16379 1 104 . 1 1 10 10 ILE C C 13 176.054 0.003 . 1 . . . . . 18 ILE C . 16379 1 105 . 1 1 10 10 ILE CA C 13 62.39 0.003 . 1 . . . . . 18 ILE CA . 16379 1 106 . 1 1 10 10 ILE CB C 13 40.38 0.003 . 1 . . . . . 18 ILE CB . 16379 1 107 . 1 1 10 10 ILE N N 15 118.9 0.003 . 1 . . . . . 18 ILE N . 16379 1 108 . 1 1 11 11 LYS H H 1 7.294 0.003 . 1 . . . . . 19 LYS H . 16379 1 109 . 1 1 11 11 LYS HA H 1 4.423 0.003 . 1 . . . . . 19 LYS HA . 16379 1 110 . 1 1 11 11 LYS HB2 H 1 1.417 0.003 . 2 . . . . . 19 LYS HB . 16379 1 111 . 1 1 11 11 LYS HB3 H 1 1.417 0.003 . 2 . . . . . 19 LYS HB . 16379 1 112 . 1 1 11 11 LYS HE2 H 1 2.791 0.003 . 2 . . . . . 19 LYS HE . 16379 1 113 . 1 1 11 11 LYS HE3 H 1 2.791 0.003 . 2 . . . . . 19 LYS HE . 16379 1 114 . 1 1 11 11 LYS HG2 H 1 1.191 0.003 . 2 . . . . . 19 LYS HG . 16379 1 115 . 1 1 11 11 LYS HG3 H 1 1.191 0.003 . 2 . . . . . 19 LYS HG . 16379 1 116 . 1 1 11 11 LYS C C 13 173.637 0.003 . 1 . . . . . 19 LYS C . 16379 1 117 . 1 1 11 11 LYS CA C 13 57.67 0.003 . 1 . . . . . 19 LYS CA . 16379 1 118 . 1 1 11 11 LYS CB C 13 37.58 0.003 . 1 . . . . . 19 LYS CB . 16379 1 119 . 1 1 11 11 LYS CD C 13 28.79 0.003 . 1 . . . . . 19 LYS CD . 16379 1 120 . 1 1 11 11 LYS CG C 13 25.33 0.003 . 1 . . . . . 19 LYS CG . 16379 1 121 . 1 1 11 11 LYS N N 15 120.2 0.003 . 1 . . . . . 19 LYS N . 16379 1 122 . 1 1 12 12 TYR H H 1 8.997 0.003 . 1 . . . . . 20 TYR H . 16379 1 123 . 1 1 12 12 TYR HA H 1 5.051 0.003 . 1 . . . . . 20 TYR HA . 16379 1 124 . 1 1 12 12 TYR HB2 H 1 2.742 0.003 . 2 . . . . . 20 TYR HB . 16379 1 125 . 1 1 12 12 TYR HB3 H 1 2.742 0.003 . 2 . . . . . 20 TYR HB . 16379 1 126 . 1 1 12 12 TYR C C 13 174.763 0.003 . 1 . . . . . 20 TYR C . 16379 1 127 . 1 1 12 12 TYR CA C 13 58.1 0.003 . 1 . . . . . 20 TYR CA . 16379 1 128 . 1 1 12 12 TYR CB C 13 42.28 0.003 . 1 . . . . . 20 TYR CB . 16379 1 129 . 1 1 12 12 TYR N N 15 121.6 0.003 . 1 . . . . . 20 TYR N . 16379 1 130 . 1 1 13 13 GLU H H 1 8.55 0.003 . 1 . . . . . 21 GLU H . 16379 1 131 . 1 1 13 13 GLU HA H 1 3.634 0.003 . 1 . . . . . 21 GLU HA . 16379 1 132 . 1 1 13 13 GLU HB2 H 1 2.065 0.003 . 2 . . . . . 21 GLU HB2 . 16379 1 133 . 1 1 13 13 GLU HB3 H 1 2.189 0.003 . 2 . . . . . 21 GLU HB3 . 16379 1 134 . 1 1 13 13 GLU HG2 H 1 2.176 0.003 . 2 . . . . . 21 GLU HG . 16379 1 135 . 1 1 13 13 GLU HG3 H 1 2.176 0.003 . 2 . . . . . 21 GLU HG . 16379 1 136 . 1 1 13 13 GLU C C 13 174.209 0.003 . 1 . . . . . 21 GLU C . 16379 1 137 . 1 1 13 13 GLU CA C 13 57.58 0.003 . 1 . . . . . 21 GLU CA . 16379 1 138 . 1 1 13 13 GLU CB C 13 28.88 0.003 . 1 . . . . . 21 GLU CB . 16379 1 139 . 1 1 13 13 GLU CG C 13 37.75 0.003 . 1 . . . . . 21 GLU CG . 16379 1 140 . 1 1 13 13 GLU N N 15 121.2 0.003 . 1 . . . . . 21 GLU N . 16379 1 141 . 1 1 14 14 PHE H H 1 9.13 0.003 . 1 . . . . . 22 PHE H . 16379 1 142 . 1 1 14 14 PHE HA H 1 5.369 0.003 . 1 . . . . . 22 PHE HA . 16379 1 143 . 1 1 14 14 PHE HB2 H 1 2.043 0.003 . 2 . . . . . 22 PHE HB . 16379 1 144 . 1 1 14 14 PHE HB3 H 1 2.043 0.003 . 2 . . . . . 22 PHE HB . 16379 1 145 . 1 1 14 14 PHE CA C 13 55.7 0.003 . 1 . . . . . 22 PHE CA . 16379 1 146 . 1 1 14 14 PHE CB C 13 42.35 0.003 . 1 . . . . . 22 PHE CB . 16379 1 147 . 1 1 14 14 PHE N N 15 116.4 0.003 . 1 . . . . . 22 PHE N . 16379 1 148 . 1 1 15 15 ILE H H 1 8.537 0.003 . 1 . . . . . 23 ILE H . 16379 1 149 . 1 1 15 15 ILE HA H 1 4.555 0.003 . 1 . . . . . 23 ILE HA . 16379 1 150 . 1 1 15 15 ILE HB H 1 1.693 0.003 . 1 . . . . . 23 ILE HB . 16379 1 151 . 1 1 15 15 ILE HD11 H 1 0.723 0.003 . 1 . . . . . 23 ILE HD . 16379 1 152 . 1 1 15 15 ILE HD12 H 1 0.723 0.003 . 1 . . . . . 23 ILE HD . 16379 1 153 . 1 1 15 15 ILE HD13 H 1 0.723 0.003 . 1 . . . . . 23 ILE HD . 16379 1 154 . 1 1 15 15 ILE HG12 H 1 1.46 0.003 . 1 . . . . . 23 ILE HG11 . 16379 1 155 . 1 1 15 15 ILE HG13 H 1 1.46 0.003 . 2 . . . . . 23 ILE HG12 . 16379 1 156 . 1 1 15 15 ILE C C 13 175.382 0.003 . 1 . . . . . 23 ILE C . 16379 1 157 . 1 1 15 15 ILE CA C 13 60.67 0.003 . 1 . . . . . 23 ILE CA . 16379 1 158 . 1 1 15 15 ILE CB C 13 42.43 0.003 . 1 . . . . . 23 ILE CB . 16379 1 159 . 1 1 15 15 ILE CD1 C 13 16.13 0.003 . 1 . . . . . 23 ILE CD . 16379 1 160 . 1 1 15 15 ILE CG2 C 13 17.61 0.003 . 1 . . . . . 23 ILE CG2 . 16379 1 161 . 1 1 15 15 ILE N N 15 119.3 0.003 . 1 . . . . . 23 ILE N . 16379 1 162 . 1 1 16 16 LEU H H 1 8.87 0.003 . 1 . . . . . 24 LEU H . 16379 1 163 . 1 1 16 16 LEU HA H 1 5.203 0.003 . 1 . . . . . 24 LEU HA . 16379 1 164 . 1 1 16 16 LEU HB2 H 1 1.481 0.003 . 2 . . . . . 24 LEU HB . 16379 1 165 . 1 1 16 16 LEU HB3 H 1 1.481 0.003 . 2 . . . . . 24 LEU HB . 16379 1 166 . 1 1 16 16 LEU HD11 H 1 0.5402 0.003 . 2 . . . . . 24 LEU HD1 . 16379 1 167 . 1 1 16 16 LEU HD12 H 1 0.5402 0.003 . 2 . . . . . 24 LEU HD1 . 16379 1 168 . 1 1 16 16 LEU HD13 H 1 0.5402 0.003 . 2 . . . . . 24 LEU HD1 . 16379 1 169 . 1 1 16 16 LEU HD21 H 1 -0.445 0.003 . 2 . . . . . 24 LEU HD2 . 16379 1 170 . 1 1 16 16 LEU HD22 H 1 -0.445 0.003 . 2 . . . . . 24 LEU HD2 . 16379 1 171 . 1 1 16 16 LEU HD23 H 1 -0.445 0.003 . 2 . . . . . 24 LEU HD2 . 16379 1 172 . 1 1 16 16 LEU HG H 1 0.911 0.003 . 1 . . . . . 24 LEU HG . 16379 1 173 . 1 1 16 16 LEU C C 13 174.25 0.003 . 1 . . . . . 24 LEU C . 16379 1 174 . 1 1 16 16 LEU CA C 13 54.07 0.003 . 1 . . . . . 24 LEU CA . 16379 1 175 . 1 1 16 16 LEU CB C 13 46.09 0.003 . 1 . . . . . 24 LEU CB . 16379 1 176 . 1 1 16 16 LEU CG C 13 25.58 0.003 . 1 . . . . . 24 LEU CG . 16379 1 177 . 1 1 16 16 LEU N N 15 124.4 0.003 . 1 . . . . . 24 LEU N . 16379 1 178 . 1 1 17 17 ASN H H 1 8.398 0.003 . 1 . . . . . 25 ASN H . 16379 1 179 . 1 1 17 17 ASN HA H 1 5.856 0.003 . 1 . . . . . 25 ASN HA . 16379 1 180 . 1 1 17 17 ASN HB2 H 1 2.45 0.003 . 2 . . . . . 25 ASN HB . 16379 1 181 . 1 1 17 17 ASN HB3 H 1 2.45 0.003 . 2 . . . . . 25 ASN HB . 16379 1 182 . 1 1 17 17 ASN C C 13 175.824 0.003 . 1 . . . . . 25 ASN C . 16379 1 183 . 1 1 17 17 ASN CA C 13 50.53 0.003 . 1 . . . . . 25 ASN CA . 16379 1 184 . 1 1 17 17 ASN CB C 13 41.98 0.003 . 1 . . . . . 25 ASN CB . 16379 1 185 . 1 1 17 17 ASN N N 15 119.3 0.003 . 1 . . . . . 25 ASN N . 16379 1 186 . 1 1 18 18 ASP H H 1 9.199 0.003 . 1 . . . . . 26 ASP H . 16379 1 187 . 1 1 18 18 ASP HA H 1 4.471 0.003 . 1 . . . . . 26 ASP HA . 16379 1 188 . 1 1 18 18 ASP HB2 H 1 2.622 0.003 . 2 . . . . . 26 ASP HB2 . 16379 1 189 . 1 1 18 18 ASP HB3 H 1 2.451 0.003 . 2 . . . . . 26 ASP HB3 . 16379 1 190 . 1 1 18 18 ASP C C 13 178.903 0.003 . 1 . . . . . 26 ASP C . 16379 1 191 . 1 1 18 18 ASP CA C 13 53.24 0.003 . 1 . . . . . 26 ASP CA . 16379 1 192 . 1 1 18 18 ASP CB C 13 42.27 0.003 . 1 . . . . . 26 ASP CB . 16379 1 193 . 1 1 18 18 ASP N N 15 121.2 0.003 . 1 . . . . . 26 ASP N . 16379 1 194 . 1 1 19 19 ALA H H 1 6.067 0.003 . 1 . . . . . 27 ALA H . 16379 1 195 . 1 1 19 19 ALA HA H 1 3.903 0.003 . 1 . . . . . 27 ALA HA . 16379 1 196 . 1 1 19 19 ALA HB1 H 1 1.31 0.003 . 1 . . . . . 27 ALA HB . 16379 1 197 . 1 1 19 19 ALA HB2 H 1 1.31 0.003 . 1 . . . . . 27 ALA HB . 16379 1 198 . 1 1 19 19 ALA HB3 H 1 1.31 0.003 . 1 . . . . . 27 ALA HB . 16379 1 199 . 1 1 19 19 ALA C C 13 178.268 0.003 . 1 . . . . . 27 ALA C . 16379 1 200 . 1 1 19 19 ALA CA C 13 54.88 0.003 . 1 . . . . . 27 ALA CA . 16379 1 201 . 1 1 19 19 ALA CB C 13 20.49 0.003 . 1 . . . . . 27 ALA CB . 16379 1 202 . 1 1 19 19 ALA N N 15 117.1 0.003 . 1 . . . . . 27 ALA N . 16379 1 203 . 1 1 20 20 LEU H H 1 8.01 0.003 . 1 . . . . . 28 LEU H . 16379 1 204 . 1 1 20 20 LEU HA H 1 4.225 0.003 . 1 . . . . . 28 LEU HA . 16379 1 205 . 1 1 20 20 LEU HB2 H 1 1.482 0.003 . 2 . . . . . 28 LEU HB2 . 16379 1 206 . 1 1 20 20 LEU HB3 H 1 1.627 0.003 . 2 . . . . . 28 LEU HB3 . 16379 1 207 . 1 1 20 20 LEU HD11 H 1 0.6553 0.003 . 1 . . . . . 28 LEU HD . 16379 1 208 . 1 1 20 20 LEU HD12 H 1 0.6553 0.003 . 1 . . . . . 28 LEU HD . 16379 1 209 . 1 1 20 20 LEU HD13 H 1 0.6553 0.003 . 1 . . . . . 28 LEU HD . 16379 1 210 . 1 1 20 20 LEU HD21 H 1 0.6553 0.003 . 1 . . . . . 28 LEU HD . 16379 1 211 . 1 1 20 20 LEU HD22 H 1 0.6553 0.003 . 1 . . . . . 28 LEU HD . 16379 1 212 . 1 1 20 20 LEU HD23 H 1 0.6553 0.003 . 1 . . . . . 28 LEU HD . 16379 1 213 . 1 1 20 20 LEU HG H 1 1.304 0.003 . 1 . . . . . 28 LEU HG . 16379 1 214 . 1 1 20 20 LEU C C 13 176.418 0.003 . 1 . . . . . 28 LEU C . 16379 1 215 . 1 1 20 20 LEU CA C 13 54.38 0.003 . 1 . . . . . 28 LEU CA . 16379 1 216 . 1 1 20 20 LEU CB C 13 41.56 0.003 . 1 . . . . . 28 LEU CB . 16379 1 217 . 1 1 20 20 LEU CD1 C 13 25.56 0.003 . 2 . . . . . 28 LEU CD1 . 16379 1 218 . 1 1 20 20 LEU CD2 C 13 22.72 0.003 . 2 . . . . . 28 LEU CD2 . 16379 1 219 . 1 1 20 20 LEU CG C 13 27.59 0.003 . 1 . . . . . 28 LEU CG . 16379 1 220 . 1 1 20 20 LEU N N 15 117.0 0.003 . 1 . . . . . 28 LEU N . 16379 1 221 . 1 1 21 21 ASN H H 1 8.356 0.003 . 1 . . . . . 29 ASN H . 16379 1 222 . 1 1 21 21 ASN HA H 1 4.048 0.003 . 1 . . . . . 29 ASN HA . 16379 1 223 . 1 1 21 21 ASN HB2 H 1 2.794 0.003 . 2 . . . . . 29 ASN HB2 . 16379 1 224 . 1 1 21 21 ASN HB3 H 1 2.992 0.003 . 2 . . . . . 29 ASN HB3 . 16379 1 225 . 1 1 21 21 ASN C C 13 174.374 0.003 . 1 . . . . . 29 ASN C . 16379 1 226 . 1 1 21 21 ASN CA C 13 55.41 0.003 . 1 . . . . . 29 ASN CA . 16379 1 227 . 1 1 21 21 ASN CB C 13 37.46 0.003 . 1 . . . . . 29 ASN CB . 16379 1 228 . 1 1 21 21 ASN N N 15 112.8 0.003 . 1 . . . . . 29 ASN N . 16379 1 229 . 1 1 22 22 GLN H H 1 8.421 0.003 . 1 . . . . . 30 GLN H . 16379 1 230 . 1 1 22 22 GLN HA H 1 3.877 0.003 . 1 . . . . . 30 GLN HA . 16379 1 231 . 1 1 22 22 GLN HB2 H 1 2.313 0.003 . 2 . . . . . 30 GLN HB . 16379 1 232 . 1 1 22 22 GLN HB3 H 1 2.313 0.003 . 2 . . . . . 30 GLN HB . 16379 1 233 . 1 1 22 22 GLN C C 13 175.267 0.003 . 1 . . . . . 30 GLN C . 16379 1 234 . 1 1 22 22 GLN CA C 13 55.72 0.003 . 1 . . . . . 30 GLN CA . 16379 1 235 . 1 1 22 22 GLN CB C 13 30.45 0.003 . 1 . . . . . 30 GLN CB . 16379 1 236 . 1 1 22 22 GLN CG C 13 36.57 0.003 . 1 . . . . . 30 GLN CG . 16379 1 237 . 1 1 22 22 GLN N N 15 116.5 0.003 . 1 . . . . . 30 GLN N . 16379 1 238 . 1 1 23 23 SER H H 1 8.387 0.003 . 1 . . . . . 31 SER H . 16379 1 239 . 1 1 23 23 SER HA H 1 5.546 0.003 . 1 . . . . . 31 SER HA . 16379 1 240 . 1 1 23 23 SER HB2 H 1 3.874 0.003 . 2 . . . . . 31 SER HB . 16379 1 241 . 1 1 23 23 SER HB3 H 1 3.874 0.003 . 2 . . . . . 31 SER HB . 16379 1 242 . 1 1 23 23 SER C C 13 174.219 0.003 . 1 . . . . . 31 SER C . 16379 1 243 . 1 1 23 23 SER CA C 13 57.98 0.003 . 1 . . . . . 31 SER CA . 16379 1 244 . 1 1 23 23 SER CB C 13 65.81 0.003 . 1 . . . . . 31 SER CB . 16379 1 245 . 1 1 23 23 SER N N 15 119.5 0.003 . 1 . . . . . 31 SER N . 16379 1 246 . 1 1 24 24 ILE H H 1 8.297 0.003 . 1 . . . . . 32 ILE H . 16379 1 247 . 1 1 24 24 ILE HA H 1 4.653 0.003 . 1 . . . . . 32 ILE HA . 16379 1 248 . 1 1 24 24 ILE HB H 1 2.189 0.003 . 1 . . . . . 32 ILE HB . 16379 1 249 . 1 1 24 24 ILE HD11 H 1 0.82 0.003 . 1 . . . . . 32 ILE HD1 . 16379 1 250 . 1 1 24 24 ILE HD12 H 1 0.82 0.003 . 1 . . . . . 32 ILE HD1 . 16379 1 251 . 1 1 24 24 ILE HD13 H 1 0.82 0.003 . 1 . . . . . 32 ILE HD1 . 16379 1 252 . 1 1 24 24 ILE HG12 H 1 0.98 0.003 . 1 . . . . . 32 ILE HG11 . 16379 1 253 . 1 1 24 24 ILE HG13 H 1 0.98 0.003 . 2 . . . . . 32 ILE HG12 . 16379 1 254 . 1 1 24 24 ILE C C 13 176.023 0.003 . 1 . . . . . 32 ILE C . 16379 1 255 . 1 1 24 24 ILE CA C 13 62.92 0.003 . 1 . . . . . 32 ILE CA . 16379 1 256 . 1 1 24 24 ILE CB C 13 36.46 0.003 . 1 . . . . . 32 ILE CB . 16379 1 257 . 1 1 24 24 ILE N N 15 120.7 0.003 . 1 . . . . . 32 ILE N . 16379 1 258 . 1 1 25 25 ILE H H 1 8.84 0.003 . 1 . . . . . 33 ILE H . 16379 1 259 . 1 1 25 25 ILE HA H 1 4.587 0.003 . 1 . . . . . 33 ILE HA . 16379 1 260 . 1 1 25 25 ILE HB H 1 1.81 0.003 . 1 . . . . . 33 ILE HB . 16379 1 261 . 1 1 25 25 ILE C C 13 174.513 0.003 . 1 . . . . . 33 ILE C . 16379 1 262 . 1 1 25 25 ILE CA C 13 60.73 0.003 . 1 . . . . . 33 ILE CA . 16379 1 263 . 1 1 25 25 ILE CB C 13 43.26 0.003 . 1 . . . . . 33 ILE CB . 16379 1 264 . 1 1 25 25 ILE N N 15 121.0 0.003 . 1 . . . . . 33 ILE N . 16379 1 265 . 1 1 26 26 ARG H H 1 8.377 0.003 . 1 . . . . . 34 ARG H . 16379 1 266 . 1 1 26 26 ARG HA H 1 4.621 0.003 . 1 . . . . . 34 ARG HA . 16379 1 267 . 1 1 26 26 ARG HB2 H 1 1.82 0.003 . 2 . . . . . 34 ARG HB . 16379 1 268 . 1 1 26 26 ARG HB3 H 1 1.82 0.003 . 2 . . . . . 34 ARG HB . 16379 1 269 . 1 1 26 26 ARG C C 13 175.694 0.003 . 1 . . . . . 34 ARG C . 16379 1 270 . 1 1 26 26 ARG CA C 13 57.28 0.003 . 1 . . . . . 34 ARG CA . 16379 1 271 . 1 1 26 26 ARG CB C 13 31.01 0.003 . 1 . . . . . 34 ARG CB . 16379 1 272 . 1 1 26 26 ARG N N 15 118.9 0.003 . 1 . . . . . 34 ARG N . 16379 1 273 . 1 1 27 27 ALA H H 1 8.092 0.003 . 1 . . . . . 35 ALA H . 16379 1 274 . 1 1 27 27 ALA HA H 1 4.415 0.003 . 1 . . . . . 35 ALA HA . 16379 1 275 . 1 1 27 27 ALA HB1 H 1 1.244 0.003 . 1 . . . . . 35 ALA HB . 16379 1 276 . 1 1 27 27 ALA HB2 H 1 1.244 0.003 . 1 . . . . . 35 ALA HB . 16379 1 277 . 1 1 27 27 ALA HB3 H 1 1.244 0.003 . 1 . . . . . 35 ALA HB . 16379 1 278 . 1 1 27 27 ALA C C 13 175.491 0.003 . 1 . . . . . 35 ALA C . 16379 1 279 . 1 1 27 27 ALA CA C 13 52.28 0.003 . 1 . . . . . 35 ALA CA . 16379 1 280 . 1 1 27 27 ALA CB C 13 21.71 0.003 . 1 . . . . . 35 ALA CB . 16379 1 281 . 1 1 27 27 ALA N N 15 124.5 0.003 . 1 . . . . . 35 ALA N . 16379 1 282 . 1 1 28 28 ASN H H 1 8.298 0.003 . 1 . . . . . 36 ASN H . 16379 1 283 . 1 1 28 28 ASN HA H 1 4.281 0.003 . 1 . . . . . 36 ASN HA . 16379 1 284 . 1 1 28 28 ASN HB2 H 1 3.05 0.003 . 2 . . . . . 36 ASN HB . 16379 1 285 . 1 1 28 28 ASN HB3 H 1 3.05 0.003 . 2 . . . . . 36 ASN HB . 16379 1 286 . 1 1 28 28 ASN CA C 13 54.09 0.003 . 1 . . . . . 36 ASN CA . 16379 1 287 . 1 1 28 28 ASN CB C 13 48.34 0.003 . 1 . . . . . 36 ASN CB . 16379 1 288 . 1 1 28 28 ASN N N 15 115.2 0.003 . 1 . . . . . 36 ASN N . 16379 1 289 . 1 1 29 29 ASP HA H 1 4.223 0.003 . 1 . . . . . 37 ASP HA . 16379 1 290 . 1 1 29 29 ASP HB2 H 1 2.452 0.003 . 2 . . . . . 37 ASP HB . 16379 1 291 . 1 1 29 29 ASP HB3 H 1 2.452 0.003 . 2 . . . . . 37 ASP HB . 16379 1 292 . 1 1 29 29 ASP C C 13 176.915 0.003 . 1 . . . . . 37 ASP C . 16379 1 293 . 1 1 29 29 ASP CA C 13 57.46 0.003 . 1 . . . . . 37 ASP CA . 16379 1 294 . 1 1 29 29 ASP CB C 13 41.0 0.003 . 1 . . . . . 37 ASP CB . 16379 1 295 . 1 1 30 30 GLN H H 1 7.848 0.003 . 1 . . . . . 38 GLN H . 16379 1 296 . 1 1 30 30 GLN HA H 1 4.364 0.003 . 1 . . . . . 38 GLN HA . 16379 1 297 . 1 1 30 30 GLN HB2 H 1 1.484 0.003 . 2 . . . . . 38 GLN HB2 . 16379 1 298 . 1 1 30 30 GLN HB3 H 1 1.629 0.003 . 2 . . . . . 38 GLN HB3 . 16379 1 299 . 1 1 30 30 GLN C C 13 173.487 0.003 . 1 . . . . . 38 GLN C . 16379 1 300 . 1 1 30 30 GLN CA C 13 56.46 0.003 . 1 . . . . . 38 GLN CA . 16379 1 301 . 1 1 30 30 GLN CB C 13 31.12 0.003 . 1 . . . . . 38 GLN CB . 16379 1 302 . 1 1 30 30 GLN CG C 13 34.38 0.003 . 1 . . . . . 38 GLN CG . 16379 1 303 . 1 1 30 30 GLN N N 15 114.3 0.003 . 1 . . . . . 38 GLN N . 16379 1 304 . 1 1 31 31 TYR H H 1 7.256 0.003 . 1 . . . . . 39 TYR H . 16379 1 305 . 1 1 31 31 TYR HA H 1 5.19 0.003 . 1 . . . . . 39 TYR HA . 16379 1 306 . 1 1 31 31 TYR HB2 H 1 3.172 0.003 . 2 . . . . . 39 TYR HB . 16379 1 307 . 1 1 31 31 TYR HB3 H 1 3.172 0.003 . 2 . . . . . 39 TYR HB . 16379 1 308 . 1 1 31 31 TYR C C 13 175.399 0.003 . 1 . . . . . 39 TYR C . 16379 1 309 . 1 1 31 31 TYR CA C 13 55.01 0.003 . 1 . . . . . 39 TYR CA . 16379 1 310 . 1 1 31 31 TYR CB C 13 42.33 0.003 . 1 . . . . . 39 TYR CB . 16379 1 311 . 1 1 31 31 TYR N N 15 114.6 0.003 . 1 . . . . . 39 TYR N . 16379 1 312 . 1 1 32 32 LEU H H 1 9.72 0.003 . 1 . . . . . 40 LEU H . 16379 1 313 . 1 1 32 32 LEU HA H 1 5.172 0.003 . 1 . . . . . 40 LEU HA . 16379 1 314 . 1 1 32 32 LEU HB2 H 1 1.52 0.003 . 2 . . . . . 40 LEU HB . 16379 1 315 . 1 1 32 32 LEU HB3 H 1 1.52 0.003 . 2 . . . . . 40 LEU HB . 16379 1 316 . 1 1 32 32 LEU HD11 H 1 0.634 0.003 . 2 . . . . . 40 LEU HD1 . 16379 1 317 . 1 1 32 32 LEU HD12 H 1 0.634 0.003 . 2 . . . . . 40 LEU HD1 . 16379 1 318 . 1 1 32 32 LEU HD13 H 1 0.634 0.003 . 2 . . . . . 40 LEU HD1 . 16379 1 319 . 1 1 32 32 LEU HG H 1 1.236 0.003 . 1 . . . . . 40 LEU HG . 16379 1 320 . 1 1 32 32 LEU C C 13 176.431 0.003 . 1 . . . . . 40 LEU C . 16379 1 321 . 1 1 32 32 LEU CA C 13 53.95 0.003 . 1 . . . . . 40 LEU CA . 16379 1 322 . 1 1 32 32 LEU CB C 13 45.59 0.003 . 1 . . . . . 40 LEU CB . 16379 1 323 . 1 1 32 32 LEU CG C 13 25.97 0.003 . 1 . . . . . 40 LEU CG . 16379 1 324 . 1 1 32 32 LEU N N 15 119.3 0.003 . 1 . . . . . 40 LEU N . 16379 1 325 . 1 1 33 33 THR H H 1 9.074 0.003 . 1 . . . . . 41 THR H . 16379 1 326 . 1 1 33 33 THR HA H 1 4.676 0.003 . 1 . . . . . 41 THR HA . 16379 1 327 . 1 1 33 33 THR HB H 1 3.986 0.003 . 1 . . . . . 41 THR HB . 16379 1 328 . 1 1 33 33 THR HG21 H 1 0.616 0.003 . 1 . . . . . 41 THR HG . 16379 1 329 . 1 1 33 33 THR HG22 H 1 0.616 0.003 . 1 . . . . . 41 THR HG . 16379 1 330 . 1 1 33 33 THR HG23 H 1 0.616 0.003 . 1 . . . . . 41 THR HG . 16379 1 331 . 1 1 33 33 THR C C 13 170.358 0.003 . 1 . . . . . 41 THR C . 16379 1 332 . 1 1 33 33 THR CA C 13 60.92 0.003 . 1 . . . . . 41 THR CA . 16379 1 333 . 1 1 33 33 THR CB C 13 70.44 0.003 . 1 . . . . . 41 THR CB . 16379 1 334 . 1 1 33 33 THR N N 15 115.3 0.003 . 1 . . . . . 41 THR N . 16379 1 335 . 1 1 34 34 ALA H H 1 8.27 0.003 . 1 . . . . . 42 ALA H . 16379 1 336 . 1 1 34 34 ALA HA H 1 5.441 0.003 . 1 . . . . . 42 ALA HA . 16379 1 337 . 1 1 34 34 ALA HB1 H 1 1.062 0.003 . 1 . . . . . 42 ALA HB . 16379 1 338 . 1 1 34 34 ALA HB2 H 1 1.062 0.003 . 1 . . . . . 42 ALA HB . 16379 1 339 . 1 1 34 34 ALA HB3 H 1 1.062 0.003 . 1 . . . . . 42 ALA HB . 16379 1 340 . 1 1 34 34 ALA C C 13 175.917 0.003 . 1 . . . . . 42 ALA C . 16379 1 341 . 1 1 34 34 ALA CA C 13 51.3 0.003 . 1 . . . . . 42 ALA CA . 16379 1 342 . 1 1 34 34 ALA CB C 13 22.42 0.003 . 1 . . . . . 42 ALA CB . 16379 1 343 . 1 1 34 34 ALA N N 15 122.9 0.003 . 1 . . . . . 42 ALA N . 16379 1 344 . 1 1 35 35 ALA H H 1 8.717 0.003 . 1 . . . . . 43 ALA H . 16379 1 345 . 1 1 35 35 ALA HA H 1 4.455 0.003 . 1 . . . . . 43 ALA HA . 16379 1 346 . 1 1 35 35 ALA HB1 H 1 1.169 0.003 . 1 . . . . . 43 ALA HB . 16379 1 347 . 1 1 35 35 ALA HB2 H 1 1.169 0.003 . 1 . . . . . 43 ALA HB . 16379 1 348 . 1 1 35 35 ALA HB3 H 1 1.169 0.003 . 1 . . . . . 43 ALA HB . 16379 1 349 . 1 1 35 35 ALA C C 13 176.333 0.003 . 1 . . . . . 43 ALA C . 16379 1 350 . 1 1 35 35 ALA CA C 13 51.83 0.003 . 1 . . . . . 43 ALA CA . 16379 1 351 . 1 1 35 35 ALA CB C 13 23.64 0.003 . 1 . . . . . 43 ALA CB . 16379 1 352 . 1 1 35 35 ALA N N 15 122.1 0.003 . 1 . . . . . 43 ALA N . 16379 1 353 . 1 1 36 36 ALA H H 1 8.767 0.003 . 1 . . . . . 44 ALA H . 16379 1 354 . 1 1 36 36 ALA HA H 1 4.448 0.003 . 1 . . . . . 44 ALA HA . 16379 1 355 . 1 1 36 36 ALA HB1 H 1 1.195 0.003 . 1 . . . . . 44 ALA HB . 16379 1 356 . 1 1 36 36 ALA HB2 H 1 1.195 0.003 . 1 . . . . . 44 ALA HB . 16379 1 357 . 1 1 36 36 ALA HB3 H 1 1.195 0.003 . 1 . . . . . 44 ALA HB . 16379 1 358 . 1 1 36 36 ALA C C 13 176.661 0.003 . 1 . . . . . 44 ALA C . 16379 1 359 . 1 1 36 36 ALA CA C 13 53.02 0.003 . 1 . . . . . 44 ALA CA . 16379 1 360 . 1 1 36 36 ALA CB C 13 18.2 0.003 . 1 . . . . . 44 ALA CB . 16379 1 361 . 1 1 36 36 ALA N N 15 124.3 0.003 . 1 . . . . . 44 ALA N . 16379 1 362 . 1 1 37 37 LEU H H 1 8.567 0.003 . 1 . . . . . 45 LEU H . 16379 1 363 . 1 1 37 37 LEU HA H 1 4.423 0.003 . 1 . . . . . 45 LEU HA . 16379 1 364 . 1 1 37 37 LEU HB2 H 1 1.234 0.003 . 2 . . . . . 45 LEU HB . 16379 1 365 . 1 1 37 37 LEU HB3 H 1 1.234 0.003 . 2 . . . . . 45 LEU HB . 16379 1 366 . 1 1 37 37 LEU HD11 H 1 0.708 0.003 . 1 . . . . . 45 LEU HD . 16379 1 367 . 1 1 37 37 LEU HD12 H 1 0.708 0.003 . 1 . . . . . 45 LEU HD . 16379 1 368 . 1 1 37 37 LEU HD13 H 1 0.708 0.003 . 1 . . . . . 45 LEU HD . 16379 1 369 . 1 1 37 37 LEU HD21 H 1 0.708 0.003 . 1 . . . . . 45 LEU HD . 16379 1 370 . 1 1 37 37 LEU HD22 H 1 0.708 0.003 . 1 . . . . . 45 LEU HD . 16379 1 371 . 1 1 37 37 LEU HD23 H 1 0.708 0.003 . 1 . . . . . 45 LEU HD . 16379 1 372 . 1 1 37 37 LEU CA C 13 54.33 0.003 . 1 . . . . . 45 LEU CA . 16379 1 373 . 1 1 37 37 LEU CB C 13 44.49 0.003 . 1 . . . . . 45 LEU CB . 16379 1 374 . 1 1 37 37 LEU N N 15 123.8 0.003 . 1 . . . . . 45 LEU N . 16379 1 375 . 1 1 39 39 ASN HA H 1 4.668 0.003 . 1 . . . . . 47 ASN HA . 16379 1 376 . 1 1 39 39 ASN HB2 H 1 2.568 0.003 . 2 . . . . . 47 ASN HB2 . 16379 1 377 . 1 1 39 39 ASN HB3 H 1 2.81 0.003 . 2 . . . . . 47 ASN HB3 . 16379 1 378 . 1 1 39 39 ASN C C 13 175.314 0.003 . 1 . . . . . 47 ASN C . 16379 1 379 . 1 1 39 39 ASN CA C 13 52.3 0.003 . 1 . . . . . 47 ASN CA . 16379 1 380 . 1 1 39 39 ASN CB C 13 39.7 0.003 . 1 . . . . . 47 ASN CB . 16379 1 381 . 1 1 40 40 LEU H H 1 8.673 0.003 . 1 . . . . . 48 LEU H . 16379 1 382 . 1 1 40 40 LEU HA H 1 3.915 0.003 . 1 . . . . . 48 LEU HA . 16379 1 383 . 1 1 40 40 LEU HB2 H 1 1.543 0.003 . 2 . . . . . 48 LEU HB . 16379 1 384 . 1 1 40 40 LEU HB3 H 1 1.543 0.003 . 2 . . . . . 48 LEU HB . 16379 1 385 . 1 1 40 40 LEU HD11 H 1 0.7373 0.003 . 1 . . . . . 48 LEU HD . 16379 1 386 . 1 1 40 40 LEU HD12 H 1 0.7373 0.003 . 1 . . . . . 48 LEU HD . 16379 1 387 . 1 1 40 40 LEU HD13 H 1 0.7373 0.003 . 1 . . . . . 48 LEU HD . 16379 1 388 . 1 1 40 40 LEU HD21 H 1 0.7373 0.003 . 1 . . . . . 48 LEU HD . 16379 1 389 . 1 1 40 40 LEU HD22 H 1 0.7373 0.003 . 1 . . . . . 48 LEU HD . 16379 1 390 . 1 1 40 40 LEU HD23 H 1 0.7373 0.003 . 1 . . . . . 48 LEU HD . 16379 1 391 . 1 1 40 40 LEU HG H 1 0.7379 0.003 . 1 . . . . . 48 LEU HG . 16379 1 392 . 1 1 40 40 LEU C C 13 177.858 0.003 . 1 . . . . . 48 LEU C . 16379 1 393 . 1 1 40 40 LEU CA C 13 57.34 0.003 . 1 . . . . . 48 LEU CA . 16379 1 394 . 1 1 40 40 LEU CB C 13 41.65 0.003 . 1 . . . . . 48 LEU CB . 16379 1 395 . 1 1 40 40 LEU CD1 C 13 24.04 0.003 . 1 . . . . . 48 LEU CD . 16379 1 396 . 1 1 40 40 LEU CD2 C 13 24.04 0.003 . 1 . . . . . 48 LEU CD . 16379 1 397 . 1 1 40 40 LEU CG C 13 25.75 0.003 . 1 . . . . . 48 LEU CG . 16379 1 398 . 1 1 40 40 LEU N N 15 122.9 0.003 . 1 . . . . . 48 LEU N . 16379 1 399 . 1 1 41 41 ASP H H 1 8.185 0.003 . 1 . . . . . 49 ASP H . 16379 1 400 . 1 1 41 41 ASP HA H 1 4.198 0.003 . 1 . . . . . 49 ASP HA . 16379 1 401 . 1 1 41 41 ASP HB2 H 1 2.493 0.003 . 2 . . . . . 49 ASP HB . 16379 1 402 . 1 1 41 41 ASP HB3 H 1 2.493 0.003 . 2 . . . . . 49 ASP HB . 16379 1 403 . 1 1 41 41 ASP C C 13 177.103 0.003 . 1 . . . . . 49 ASP C . 16379 1 404 . 1 1 41 41 ASP CA C 13 57.32 0.003 . 1 . . . . . 49 ASP CA . 16379 1 405 . 1 1 41 41 ASP CB C 13 40.65 0.003 . 1 . . . . . 49 ASP CB . 16379 1 406 . 1 1 41 41 ASP N N 15 117.8 0.003 . 1 . . . . . 49 ASP N . 16379 1 407 . 1 1 42 42 GLU H H 1 7.504 0.003 . 1 . . . . . 50 GLU H . 16379 1 408 . 1 1 42 42 GLU HA H 1 4.009 0.003 . 1 . . . . . 50 GLU HA . 16379 1 409 . 1 1 42 42 GLU HB2 H 1 1.983 0.003 . 2 . . . . . 50 GLU HB . 16379 1 410 . 1 1 42 42 GLU HB3 H 1 1.983 0.003 . 2 . . . . . 50 GLU HB . 16379 1 411 . 1 1 42 42 GLU HG2 H 1 2.13 0.003 . 2 . . . . . 50 GLU HG . 16379 1 412 . 1 1 42 42 GLU HG3 H 1 2.13 0.003 . 2 . . . . . 50 GLU HG . 16379 1 413 . 1 1 42 42 GLU C C 13 176.054 0.003 . 1 . . . . . 50 GLU C . 16379 1 414 . 1 1 42 42 GLU CA C 13 57.09 0.003 . 1 . . . . . 50 GLU CA . 16379 1 415 . 1 1 42 42 GLU CB C 13 30.56 0.003 . 1 . . . . . 50 GLU CB . 16379 1 416 . 1 1 42 42 GLU CG C 13 37.31 0.003 . 1 . . . . . 50 GLU CG . 16379 1 417 . 1 1 42 42 GLU N N 15 113.9 0.003 . 1 . . . . . 50 GLU N . 16379 1 418 . 1 1 43 43 ALA H H 1 7.284 0.003 . 1 . . . . . 51 ALA H . 16379 1 419 . 1 1 43 43 ALA HA H 1 4.063 0.003 . 1 . . . . . 51 ALA HA . 16379 1 420 . 1 1 43 43 ALA HB1 H 1 1.405 0.003 . 1 . . . . . 51 ALA HB . 16379 1 421 . 1 1 43 43 ALA HB2 H 1 1.405 0.003 . 1 . . . . . 51 ALA HB . 16379 1 422 . 1 1 43 43 ALA HB3 H 1 1.405 0.003 . 1 . . . . . 51 ALA HB . 16379 1 423 . 1 1 43 43 ALA C C 13 177.776 0.003 . 1 . . . . . 51 ALA C . 16379 1 424 . 1 1 43 43 ALA CA C 13 52.8 0.003 . 1 . . . . . 51 ALA CA . 16379 1 425 . 1 1 43 43 ALA CB C 13 20.28 0.003 . 1 . . . . . 51 ALA CB . 16379 1 426 . 1 1 43 43 ALA N N 15 120.2 0.003 . 1 . . . . . 51 ALA N . 16379 1 427 . 1 1 44 44 VAL H H 1 8.15 0.003 . 1 . . . . . 52 VAL H . 16379 1 428 . 1 1 44 44 VAL HA H 1 3.47 0.003 . 1 . . . . . 52 VAL HA . 16379 1 429 . 1 1 44 44 VAL HB H 1 1.393 0.003 . 1 . . . . . 52 VAL HB . 16379 1 430 . 1 1 44 44 VAL HG11 H 1 0.6553 0.003 . 2 . . . . . 52 VAL HG1 . 16379 1 431 . 1 1 44 44 VAL HG12 H 1 0.6553 0.003 . 2 . . . . . 52 VAL HG1 . 16379 1 432 . 1 1 44 44 VAL HG13 H 1 0.6553 0.003 . 2 . . . . . 52 VAL HG1 . 16379 1 433 . 1 1 44 44 VAL HG21 H 1 -0.266 0.003 . 2 . . . . . 52 VAL HG2 . 16379 1 434 . 1 1 44 44 VAL HG22 H 1 -0.266 0.003 . 2 . . . . . 52 VAL HG2 . 16379 1 435 . 1 1 44 44 VAL HG23 H 1 -0.266 0.003 . 2 . . . . . 52 VAL HG2 . 16379 1 436 . 1 1 44 44 VAL C C 13 173.747 0.003 . 1 . . . . . 52 VAL C . 16379 1 437 . 1 1 44 44 VAL CA C 13 63.33 0.003 . 1 . . . . . 52 VAL CA . 16379 1 438 . 1 1 44 44 VAL CB C 13 32.31 0.003 . 1 . . . . . 52 VAL CB . 16379 1 439 . 1 1 44 44 VAL CG1 C 13 25.25 0.003 . 2 . . . . . 52 VAL CG1 . 16379 1 440 . 1 1 44 44 VAL CG2 C 13 22.89 0.003 . 2 . . . . . 52 VAL CG2 . 16379 1 441 . 1 1 44 44 VAL N N 15 121.5 0.003 . 1 . . . . . 52 VAL N . 16379 1 442 . 1 1 45 45 LYS H H 1 7.45 0.003 . 1 . . . . . 53 LYS H . 16379 1 443 . 1 1 45 45 LYS HA H 1 4.461 0.003 . 1 . . . . . 53 LYS HA . 16379 1 444 . 1 1 45 45 LYS HB2 H 1 1.06 0.003 . 2 . . . . . 53 LYS HB . 16379 1 445 . 1 1 45 45 LYS HB3 H 1 1.06 0.003 . 2 . . . . . 53 LYS HB . 16379 1 446 . 1 1 45 45 LYS HG2 H 1 1.332 0.003 . 2 . . . . . 53 LYS HG . 16379 1 447 . 1 1 45 45 LYS HG3 H 1 1.332 0.003 . 2 . . . . . 53 LYS HG . 16379 1 448 . 1 1 45 45 LYS C C 13 174.864 0.003 . 1 . . . . . 53 LYS C . 16379 1 449 . 1 1 45 45 LYS CA C 13 54.61 0.003 . 1 . . . . . 53 LYS CA . 16379 1 450 . 1 1 45 45 LYS CB C 13 32.91 0.003 . 1 . . . . . 53 LYS CB . 16379 1 451 . 1 1 45 45 LYS CD C 13 28.93 0.003 . 1 . . . . . 53 LYS CD . 16379 1 452 . 1 1 45 45 LYS CG C 13 26.79 0.003 . 1 . . . . . 53 LYS CG . 16379 1 453 . 1 1 45 45 LYS N N 15 123.3 0.003 . 1 . . . . . 53 LYS N . 16379 1 454 . 1 1 46 46 PHE H H 1 9.016 0.003 . 1 . . . . . 54 PHE H . 16379 1 455 . 1 1 46 46 PHE HA H 1 4.94 0.003 . 1 . . . . . 54 PHE HA . 16379 1 456 . 1 1 46 46 PHE HB2 H 1 2.012 0.003 . 2 . . . . . 54 PHE HB . 16379 1 457 . 1 1 46 46 PHE HB3 H 1 2.012 0.003 . 2 . . . . . 54 PHE HB . 16379 1 458 . 1 1 46 46 PHE C C 13 174.874 0.003 . 1 . . . . . 54 PHE C . 16379 1 459 . 1 1 46 46 PHE CA C 13 57.05 0.003 . 1 . . . . . 54 PHE CA . 16379 1 460 . 1 1 46 46 PHE CB C 13 43.32 0.003 . 1 . . . . . 54 PHE CB . 16379 1 461 . 1 1 46 46 PHE N N 15 119.4 0.003 . 1 . . . . . 54 PHE N . 16379 1 462 . 1 1 47 47 ASP H H 1 9.005 0.003 . 1 . . . . . 55 ASP H . 16379 1 463 . 1 1 47 47 ASP HA H 1 5.243 0.003 . 1 . . . . . 55 ASP HA . 16379 1 464 . 1 1 47 47 ASP HB2 H 1 2.559 0.003 . 2 . . . . . 55 ASP HB . 16379 1 465 . 1 1 47 47 ASP HB3 H 1 2.559 0.003 . 2 . . . . . 55 ASP HB . 16379 1 466 . 1 1 47 47 ASP C C 13 175.076 0.003 . 1 . . . . . 55 ASP C . 16379 1 467 . 1 1 47 47 ASP CA C 13 52.55 0.003 . 1 . . . . . 55 ASP CA . 16379 1 468 . 1 1 47 47 ASP CB C 13 44.42 0.003 . 1 . . . . . 55 ASP CB . 16379 1 469 . 1 1 47 47 ASP N N 15 112.1 0.003 . 1 . . . . . 55 ASP N . 16379 1 470 . 1 1 48 48 MET H H 1 8.686 0.003 . 1 . . . . . 56 MET H . 16379 1 471 . 1 1 48 48 MET HA H 1 5.602 0.003 . 1 . . . . . 56 MET HA . 16379 1 472 . 1 1 48 48 MET HB2 H 1 1.8 0.003 . 2 . . . . . 56 MET HB . 16379 1 473 . 1 1 48 48 MET HB3 H 1 1.8 0.003 . 2 . . . . . 56 MET HB . 16379 1 474 . 1 1 48 48 MET HG2 H 1 2.116 0.003 . 2 . . . . . 56 MET HG . 16379 1 475 . 1 1 48 48 MET HG3 H 1 2.116 0.003 . 2 . . . . . 56 MET HG . 16379 1 476 . 1 1 48 48 MET C C 13 175.427 0.003 . 1 . . . . . 56 MET C . 16379 1 477 . 1 1 48 48 MET CA C 13 54.44 0.003 . 1 . . . . . 56 MET CA . 16379 1 478 . 1 1 48 48 MET CB C 13 39.1 0.003 . 1 . . . . . 56 MET CB . 16379 1 479 . 1 1 48 48 MET CG C 13 31.58 0.003 . 1 . . . . . 56 MET CG . 16379 1 480 . 1 1 48 48 MET N N 15 117.1 0.003 . 1 . . . . . 56 MET N . 16379 1 481 . 1 1 49 49 GLY H H 1 9.129 0.003 . 1 . . . . . 57 GLY H . 16379 1 482 . 1 1 49 49 GLY HA2 H 1 3.461 0.003 . 1 . . . . . 57 GLY HA1 . 16379 1 483 . 1 1 49 49 GLY HA3 H 1 5.071 0.003 . 2 . . . . . 57 GLY HA2 . 16379 1 484 . 1 1 49 49 GLY C C 13 170.586 0.003 . 1 . . . . . 57 GLY C . 16379 1 485 . 1 1 49 49 GLY CA C 13 45.13 0.003 . 1 . . . . . 57 GLY CA . 16379 1 486 . 1 1 49 49 GLY N N 15 111.8 0.003 . 1 . . . . . 57 GLY N . 16379 1 487 . 1 1 50 50 ALA H H 1 8.678 0.003 . 1 . . . . . 58 ALA H . 16379 1 488 . 1 1 50 50 ALA HA H 1 5.464 0.003 . 1 . . . . . 58 ALA HA . 16379 1 489 . 1 1 50 50 ALA HB1 H 1 1.39 0.003 . 1 . . . . . 58 ALA HB . 16379 1 490 . 1 1 50 50 ALA HB2 H 1 1.39 0.003 . 1 . . . . . 58 ALA HB . 16379 1 491 . 1 1 50 50 ALA HB3 H 1 1.39 0.003 . 1 . . . . . 58 ALA HB . 16379 1 492 . 1 1 50 50 ALA C C 13 175.586 0.003 . 1 . . . . . 58 ALA C . 16379 1 493 . 1 1 50 50 ALA CA C 13 52.06 0.003 . 1 . . . . . 58 ALA CA . 16379 1 494 . 1 1 50 50 ALA CB C 13 22.53 0.003 . 1 . . . . . 58 ALA CB . 16379 1 495 . 1 1 50 50 ALA N N 15 123.8 0.003 . 1 . . . . . 58 ALA N . 16379 1 496 . 1 1 51 51 TYR H H 1 9.238 0.003 . 1 . . . . . 59 TYR H . 16379 1 497 . 1 1 51 51 TYR HA H 1 4.844 0.003 . 1 . . . . . 59 TYR HA . 16379 1 498 . 1 1 51 51 TYR HB2 H 1 2.49 0.003 . 1 . . . . . 59 TYR HB1 . 16379 1 499 . 1 1 51 51 TYR HB3 H 1 2.638 0.003 . 2 . . . . . 59 TYR HB2 . 16379 1 500 . 1 1 51 51 TYR C C 13 174.672 0.003 . 1 . . . . . 59 TYR C . 16379 1 501 . 1 1 51 51 TYR CA C 13 57.71 0.003 . 1 . . . . . 59 TYR CA . 16379 1 502 . 1 1 51 51 TYR CB C 13 43.39 0.003 . 1 . . . . . 59 TYR CB . 16379 1 503 . 1 1 51 51 TYR N N 15 119.4 0.003 . 1 . . . . . 59 TYR N . 16379 1 504 . 1 1 52 52 LYS H H 1 9.121 0.003 . 1 . . . . . 60 LYS H . 16379 1 505 . 1 1 52 52 LYS HA H 1 4.924 0.003 . 1 . . . . . 60 LYS HA . 16379 1 506 . 1 1 52 52 LYS HB2 H 1 1.974 0.003 . 2 . . . . . 60 LYS HB2 . 16379 1 507 . 1 1 52 52 LYS HB3 H 1 1.875 0.003 . 2 . . . . . 60 LYS HB3 . 16379 1 508 . 1 1 52 52 LYS HD2 H 1 1.697 0.003 . 2 . . . . . 60 LYS HD . 16379 1 509 . 1 1 52 52 LYS HD3 H 1 1.697 0.003 . 2 . . . . . 60 LYS HD . 16379 1 510 . 1 1 52 52 LYS HE2 H 1 2.88 0.003 . 2 . . . . . 60 LYS HE . 16379 1 511 . 1 1 52 52 LYS HE3 H 1 2.88 0.003 . 2 . . . . . 60 LYS HE . 16379 1 512 . 1 1 52 52 LYS HG2 H 1 1.446 0.003 . 2 . . . . . 60 LYS HG . 16379 1 513 . 1 1 52 52 LYS HG3 H 1 1.446 0.003 . 2 . . . . . 60 LYS HG . 16379 1 514 . 1 1 52 52 LYS C C 13 176.572 0.003 . 1 . . . . . 60 LYS C . 16379 1 515 . 1 1 52 52 LYS CA C 13 55.14 0.003 . 1 . . . . . 60 LYS CA . 16379 1 516 . 1 1 52 52 LYS CB C 13 35.94 0.003 . 1 . . . . . 60 LYS CB . 16379 1 517 . 1 1 52 52 LYS CD C 13 29.51 0.003 . 1 . . . . . 60 LYS CD . 16379 1 518 . 1 1 52 52 LYS CG C 13 25.17 0.003 . 1 . . . . . 60 LYS CG . 16379 1 519 . 1 1 52 52 LYS N N 15 119.4 0.003 . 1 . . . . . 60 LYS N . 16379 1 520 . 1 1 53 53 SER H H 1 9.293 0.003 . 1 . . . . . 61 SER H . 16379 1 521 . 1 1 53 53 SER HA H 1 4.482 0.003 . 1 . . . . . 61 SER HA . 16379 1 522 . 1 1 53 53 SER HB2 H 1 3.735 0.003 . 2 . . . . . 61 SER HB . 16379 1 523 . 1 1 53 53 SER HB3 H 1 3.735 0.003 . 2 . . . . . 61 SER HB . 16379 1 524 . 1 1 53 53 SER C C 13 175.148 0.003 . 1 . . . . . 61 SER C . 16379 1 525 . 1 1 53 53 SER CA C 13 57.71 0.003 . 1 . . . . . 61 SER CA . 16379 1 526 . 1 1 53 53 SER CB C 13 64.78 0.003 . 1 . . . . . 61 SER CB . 16379 1 527 . 1 1 53 53 SER N N 15 121.2 0.003 . 1 . . . . . 61 SER N . 16379 1 528 . 1 1 54 54 SER H H 1 8.31 0.003 . 1 . . . . . 62 SER H . 16379 1 529 . 1 1 54 54 SER HA H 1 4.172 0.003 . 1 . . . . . 62 SER HA . 16379 1 530 . 1 1 54 54 SER HB2 H 1 3.973 0.003 . 2 . . . . . 62 SER HB . 16379 1 531 . 1 1 54 54 SER HB3 H 1 3.973 0.003 . 2 . . . . . 62 SER HB . 16379 1 532 . 1 1 54 54 SER CA C 13 60.13 0.003 . 1 . . . . . 62 SER CA . 16379 1 533 . 1 1 54 54 SER N N 15 117.8 0.003 . 1 . . . . . 62 SER N . 16379 1 534 . 1 1 56 56 ASP HA H 1 4.452 0.003 . 1 . . . . . 64 ASP HA . 16379 1 535 . 1 1 56 56 ASP HB2 H 1 2.453 0.003 . 2 . . . . . 64 ASP HB2 . 16379 1 536 . 1 1 56 56 ASP HB3 H 1 2.618 0.003 . 2 . . . . . 64 ASP HB3 . 16379 1 537 . 1 1 56 56 ASP C C 13 175.313 0.003 . 1 . . . . . 64 ASP C . 16379 1 538 . 1 1 56 56 ASP CA C 13 55.12 0.003 . 1 . . . . . 64 ASP CA . 16379 1 539 . 1 1 56 56 ASP CB C 13 41.39 0.003 . 1 . . . . . 64 ASP CB . 16379 1 540 . 1 1 57 57 ASP H H 1 7.987 0.003 . 1 . . . . . 65 ASP H . 16379 1 541 . 1 1 57 57 ASP HA H 1 4.474 0.003 . 1 . . . . . 65 ASP HA . 16379 1 542 . 1 1 57 57 ASP HB2 H 1 2.614 0.003 . 2 . . . . . 65 ASP HB . 16379 1 543 . 1 1 57 57 ASP HB3 H 1 2.614 0.003 . 2 . . . . . 65 ASP HB . 16379 1 544 . 1 1 57 57 ASP C C 13 175.843 0.003 . 1 . . . . . 65 ASP C . 16379 1 545 . 1 1 57 57 ASP CA C 13 54.97 0.003 . 1 . . . . . 65 ASP CA . 16379 1 546 . 1 1 57 57 ASP CB C 13 42.02 0.003 . 1 . . . . . 65 ASP CB . 16379 1 547 . 1 1 57 57 ASP N N 15 120.0 0.003 . 1 . . . . . 65 ASP N . 16379 1 548 . 1 1 58 58 ALA H H 1 8.247 0.003 . 1 . . . . . 66 ALA H . 16379 1 549 . 1 1 58 58 ALA HA H 1 4.199 0.003 . 1 . . . . . 66 ALA HA . 16379 1 550 . 1 1 58 58 ALA HB1 H 1 1.301 0.003 . 1 . . . . . 66 ALA HB . 16379 1 551 . 1 1 58 58 ALA HB2 H 1 1.301 0.003 . 1 . . . . . 66 ALA HB . 16379 1 552 . 1 1 58 58 ALA HB3 H 1 1.301 0.003 . 1 . . . . . 66 ALA HB . 16379 1 553 . 1 1 58 58 ALA C C 13 177.772 0.003 . 1 . . . . . 66 ALA C . 16379 1 554 . 1 1 58 58 ALA CA C 13 53.48 0.003 . 1 . . . . . 66 ALA CA . 16379 1 555 . 1 1 58 58 ALA CB C 13 19.79 0.003 . 1 . . . . . 66 ALA CB . 16379 1 556 . 1 1 58 58 ALA N N 15 121.6 0.003 . 1 . . . . . 66 ALA N . 16379 1 557 . 1 1 59 59 LYS H H 1 7.717 0.003 . 1 . . . . . 67 LYS H . 16379 1 558 . 1 1 59 59 LYS HA H 1 4.22 0.003 . 1 . . . . . 67 LYS HA . 16379 1 559 . 1 1 59 59 LYS HB2 H 1 1.599 0.003 . 2 . . . . . 67 LYS HB . 16379 1 560 . 1 1 59 59 LYS HB3 H 1 1.599 0.003 . 2 . . . . . 67 LYS HB . 16379 1 561 . 1 1 59 59 LYS HD2 H 1 1.298 0.003 . 2 . . . . . 67 LYS HD . 16379 1 562 . 1 1 59 59 LYS HD3 H 1 1.298 0.003 . 2 . . . . . 67 LYS HD . 16379 1 563 . 1 1 59 59 LYS HE2 H 1 2.617 0.003 . 2 . . . . . 67 LYS HE . 16379 1 564 . 1 1 59 59 LYS HE3 H 1 2.617 0.003 . 2 . . . . . 67 LYS HE . 16379 1 565 . 1 1 59 59 LYS HG2 H 1 1.142 0.003 . 2 . . . . . 67 LYS HG . 16379 1 566 . 1 1 59 59 LYS HG3 H 1 1.142 0.003 . 2 . . . . . 67 LYS HG . 16379 1 567 . 1 1 59 59 LYS C C 13 175.474 0.003 . 1 . . . . . 67 LYS C . 16379 1 568 . 1 1 59 59 LYS CA C 13 56.5 0.003 . 1 . . . . . 67 LYS CA . 16379 1 569 . 1 1 59 59 LYS CB C 13 34.23 0.003 . 1 . . . . . 67 LYS CB . 16379 1 570 . 1 1 59 59 LYS CD C 13 29.17 0.003 . 1 . . . . . 67 LYS CD . 16379 1 571 . 1 1 59 59 LYS CE C 13 42.14 0.003 . 1 . . . . . 67 LYS CE . 16379 1 572 . 1 1 59 59 LYS CG C 13 25.49 0.003 . 1 . . . . . 67 LYS CG . 16379 1 573 . 1 1 59 59 LYS N N 15 117.5 0.003 . 1 . . . . . 67 LYS N . 16379 1 574 . 1 1 60 60 ILE H H 1 8.777 0.003 . 1 . . . . . 68 ILE H . 16379 1 575 . 1 1 60 60 ILE HA H 1 4.44 0.003 . 1 . . . . . 68 ILE HA . 16379 1 576 . 1 1 60 60 ILE HB H 1 2.193 0.003 . 1 . . . . . 68 ILE HB . 16379 1 577 . 1 1 60 60 ILE HG12 H 1 0.9355 0.003 . 2 . . . . . 68 ILE HG1 . 16379 1 578 . 1 1 60 60 ILE HG13 H 1 0.9355 0.003 . 2 . . . . . 68 ILE HG1 . 16379 1 579 . 1 1 60 60 ILE HG21 H 1 0.7202 0.003 . 1 . . . . . 68 ILE HG2 . 16379 1 580 . 1 1 60 60 ILE HG22 H 1 0.7202 0.003 . 1 . . . . . 68 ILE HG2 . 16379 1 581 . 1 1 60 60 ILE HG23 H 1 0.7202 0.003 . 1 . . . . . 68 ILE HG2 . 16379 1 582 . 1 1 60 60 ILE C C 13 175.636 0.003 . 1 . . . . . 68 ILE C . 16379 1 583 . 1 1 60 60 ILE CA C 13 62.08 0.003 . 1 . . . . . 68 ILE CA . 16379 1 584 . 1 1 60 60 ILE CB C 13 38.42 0.003 . 1 . . . . . 68 ILE CB . 16379 1 585 . 1 1 60 60 ILE CG2 C 13 18.49 0.003 . 1 . . . . . 68 ILE CG2 . 16379 1 586 . 1 1 60 60 ILE N N 15 124.4 0.003 . 1 . . . . . 68 ILE N . 16379 1 587 . 1 1 61 61 THR H H 1 8.579 0.003 . 1 . . . . . 69 THR H . 16379 1 588 . 1 1 61 61 THR HA H 1 5.044 0.003 . 1 . . . . . 69 THR HA . 16379 1 589 . 1 1 61 61 THR HB H 1 3.889 0.003 . 1 . . . . . 69 THR HB . 16379 1 590 . 1 1 61 61 THR HG21 H 1 0.6907 0.003 . 1 . . . . . 69 THR HG . 16379 1 591 . 1 1 61 61 THR HG22 H 1 0.6907 0.003 . 1 . . . . . 69 THR HG . 16379 1 592 . 1 1 61 61 THR HG23 H 1 0.6907 0.003 . 1 . . . . . 69 THR HG . 16379 1 593 . 1 1 61 61 THR C C 13 174.509 0.003 . 1 . . . . . 69 THR C . 16379 1 594 . 1 1 61 61 THR CA C 13 62.05 0.003 . 1 . . . . . 69 THR CA . 16379 1 595 . 1 1 61 61 THR CB C 13 70.58 0.003 . 1 . . . . . 69 THR CB . 16379 1 596 . 1 1 61 61 THR N N 15 121.8 0.003 . 1 . . . . . 69 THR N . 16379 1 597 . 1 1 62 62 VAL H H 1 9.968 0.003 . 1 . . . . . 70 VAL H . 16379 1 598 . 1 1 62 62 VAL HA H 1 6.154 0.003 . 1 . . . . . 70 VAL HA . 16379 1 599 . 1 1 62 62 VAL HB H 1 2.287 0.003 . 1 . . . . . 70 VAL HB . 16379 1 600 . 1 1 62 62 VAL HG11 H 1 1.118 0.003 . 2 . . . . . 70 VAL HG1 . 16379 1 601 . 1 1 62 62 VAL HG12 H 1 1.118 0.003 . 2 . . . . . 70 VAL HG1 . 16379 1 602 . 1 1 62 62 VAL HG13 H 1 1.118 0.003 . 2 . . . . . 70 VAL HG1 . 16379 1 603 . 1 1 62 62 VAL HG21 H 1 0.8647 0.003 . 2 . . . . . 70 VAL HG2 . 16379 1 604 . 1 1 62 62 VAL HG22 H 1 0.8647 0.003 . 2 . . . . . 70 VAL HG2 . 16379 1 605 . 1 1 62 62 VAL HG23 H 1 0.8647 0.003 . 2 . . . . . 70 VAL HG2 . 16379 1 606 . 1 1 62 62 VAL C C 13 173.929 0.003 . 1 . . . . . 70 VAL C . 16379 1 607 . 1 1 62 62 VAL CA C 13 58.65 0.003 . 1 . . . . . 70 VAL CA . 16379 1 608 . 1 1 62 62 VAL CB C 13 37.26 0.003 . 1 . . . . . 70 VAL CB . 16379 1 609 . 1 1 62 62 VAL CG1 C 13 22.11 0.003 . 2 . . . . . 70 VAL CG1 . 16379 1 610 . 1 1 62 62 VAL CG2 C 13 17.76 0.003 . 2 . . . . . 70 VAL CG2 . 16379 1 611 . 1 1 62 62 VAL N N 15 115.9 0.003 . 1 . . . . . 70 VAL N . 16379 1 612 . 1 1 63 63 ILE H H 1 8.839 0.003 . 1 . . . . . 71 ILE H . 16379 1 613 . 1 1 63 63 ILE HA H 1 4.967 0.003 . 1 . . . . . 71 ILE HA . 16379 1 614 . 1 1 63 63 ILE HB H 1 1.732 0.003 . 1 . . . . . 71 ILE HB . 16379 1 615 . 1 1 63 63 ILE HD11 H 1 -0.315 0.003 . 1 . . . . . 71 ILE HD . 16379 1 616 . 1 1 63 63 ILE HD12 H 1 -0.315 0.003 . 1 . . . . . 71 ILE HD . 16379 1 617 . 1 1 63 63 ILE HD13 H 1 -0.315 0.003 . 1 . . . . . 71 ILE HD . 16379 1 618 . 1 1 63 63 ILE HG12 H 1 0.9503 0.003 . 2 . . . . . 71 ILE HG11 . 16379 1 619 . 1 1 63 63 ILE HG13 H 1 0.9503 0.003 . 2 . . . . . 71 ILE HG12 . 16379 1 620 . 1 1 63 63 ILE C C 13 173.762 0.003 . 1 . . . . . 71 ILE C . 16379 1 621 . 1 1 63 63 ILE CA C 13 58.96 0.003 . 1 . . . . . 71 ILE CA . 16379 1 622 . 1 1 63 63 ILE CG1 C 13 18.38 0.003 . 1 . . . . . 71 ILE CG1 . 16379 1 623 . 1 1 63 63 ILE N N 15 117.1 0.003 . 1 . . . . . 71 ILE N . 16379 1 624 . 1 1 64 64 LEU H H 1 10.42 0.003 . 1 . . . . . 72 LEU H . 16379 1 625 . 1 1 64 64 LEU HA H 1 5.089 0.003 . 1 . . . . . 72 LEU HA . 16379 1 626 . 1 1 64 64 LEU HB2 H 1 1.372 0.003 . 2 . . . . . 72 LEU HB . 16379 1 627 . 1 1 64 64 LEU HB3 H 1 1.372 0.003 . 2 . . . . . 72 LEU HB . 16379 1 628 . 1 1 64 64 LEU HD11 H 1 0.136 0.003 . 1 . . . . . 72 LEU HD . 16379 1 629 . 1 1 64 64 LEU HD12 H 1 0.136 0.003 . 1 . . . . . 72 LEU HD . 16379 1 630 . 1 1 64 64 LEU HD13 H 1 0.136 0.003 . 1 . . . . . 72 LEU HD . 16379 1 631 . 1 1 64 64 LEU HD21 H 1 0.136 0.003 . 1 . . . . . 72 LEU HD . 16379 1 632 . 1 1 64 64 LEU HD22 H 1 0.136 0.003 . 1 . . . . . 72 LEU HD . 16379 1 633 . 1 1 64 64 LEU HD23 H 1 0.136 0.003 . 1 . . . . . 72 LEU HD . 16379 1 634 . 1 1 64 64 LEU HG H 1 0.67 0.003 . 1 . . . . . 72 LEU HG . 16379 1 635 . 1 1 64 64 LEU C C 13 174.254 0.003 . 1 . . . . . 72 LEU C . 16379 1 636 . 1 1 64 64 LEU CA C 13 54.3 0.003 . 1 . . . . . 72 LEU CA . 16379 1 637 . 1 1 64 64 LEU CB C 13 44.91 0.003 . 1 . . . . . 72 LEU CB . 16379 1 638 . 1 1 64 64 LEU CG C 13 24.03 0.003 . 1 . . . . . 72 LEU CG . 16379 1 639 . 1 1 64 64 LEU N N 15 126.0 0.003 . 1 . . . . . 72 LEU N . 16379 1 640 . 1 1 65 65 ARG H H 1 8.408 0.003 . 1 . . . . . 73 ARG H . 16379 1 641 . 1 1 65 65 ARG HA H 1 4.836 0.003 . 1 . . . . . 73 ARG HA . 16379 1 642 . 1 1 65 65 ARG HB2 H 1 2.021 0.003 . 1 . . . . . 73 ARG HB1 . 16379 1 643 . 1 1 65 65 ARG HB3 H 1 2.221 0.003 . 2 . . . . . 73 ARG HB2 . 16379 1 644 . 1 1 65 65 ARG HD2 H 1 2.57 0.003 . 2 . . . . . 73 ARG HD . 16379 1 645 . 1 1 65 65 ARG HD3 H 1 2.57 0.003 . 2 . . . . . 73 ARG HD . 16379 1 646 . 1 1 65 65 ARG HG2 H 1 0.968 0.003 . 1 . . . . . 73 ARG HG1 . 16379 1 647 . 1 1 65 65 ARG HG3 H 1 1.092 0.003 . 2 . . . . . 73 ARG HG2 . 16379 1 648 . 1 1 65 65 ARG C C 13 175.13 0.003 . 1 . . . . . 73 ARG C . 16379 1 649 . 1 1 65 65 ARG CA C 13 52.99 0.003 . 1 . . . . . 73 ARG CA . 16379 1 650 . 1 1 65 65 ARG CB C 13 35.33 0.003 . 1 . . . . . 73 ARG CB . 16379 1 651 . 1 1 65 65 ARG N N 15 120.1 0.003 . 1 . . . . . 73 ARG N . 16379 1 652 . 1 1 66 66 ILE H H 1 8.052 0.003 . 1 . . . . . 74 ILE H . 16379 1 653 . 1 1 66 66 ILE HA H 1 3.72 0.003 . 1 . . . . . 74 ILE HA . 16379 1 654 . 1 1 66 66 ILE HB H 1 1.829 0.003 . 1 . . . . . 74 ILE HB . 16379 1 655 . 1 1 66 66 ILE HG21 H 1 0.581 0.003 . 1 . . . . . 74 ILE HG2 . 16379 1 656 . 1 1 66 66 ILE HG22 H 1 0.581 0.003 . 1 . . . . . 74 ILE HG2 . 16379 1 657 . 1 1 66 66 ILE HG23 H 1 0.581 0.003 . 1 . . . . . 74 ILE HG2 . 16379 1 658 . 1 1 66 66 ILE C C 13 176.563 0.003 . 1 . . . . . 74 ILE C . 16379 1 659 . 1 1 66 66 ILE CA C 13 61.82 0.003 . 1 . . . . . 74 ILE CA . 16379 1 660 . 1 1 66 66 ILE CB C 13 34.67 0.003 . 1 . . . . . 74 ILE CB . 16379 1 661 . 1 1 66 66 ILE CG2 C 13 17.28 0.003 . 1 . . . . . 74 ILE CG2 . 16379 1 662 . 1 1 66 66 ILE N N 15 122.6 0.003 . 1 . . . . . 74 ILE N . 16379 1 663 . 1 1 67 67 SER H H 1 9.157 0.003 . 1 . . . . . 75 SER H . 16379 1 664 . 1 1 67 67 SER HA H 1 3.921 0.003 . 1 . . . . . 75 SER HA . 16379 1 665 . 1 1 67 67 SER HB2 H 1 3.72 0.003 . 2 . . . . . 75 SER HB . 16379 1 666 . 1 1 67 67 SER HB3 H 1 3.72 0.003 . 2 . . . . . 75 SER HB . 16379 1 667 . 1 1 67 67 SER C C 13 174.364 0.003 . 1 . . . . . 75 SER C . 16379 1 668 . 1 1 67 67 SER CA C 13 61.89 0.003 . 1 . . . . . 75 SER CA . 16379 1 669 . 1 1 67 67 SER CB C 13 63.17 0.003 . 1 . . . . . 75 SER CB . 16379 1 670 . 1 1 67 67 SER N N 15 128.2 0.003 . 1 . . . . . 75 SER N . 16379 1 671 . 1 1 68 68 LYS H H 1 9.142 0.003 . 1 . . . . . 76 LYS H . 16379 1 672 . 1 1 68 68 LYS HA H 1 3.655 0.003 . 1 . . . . . 76 LYS HA . 16379 1 673 . 1 1 68 68 LYS HB2 H 1 1.824 0.003 . 2 . . . . . 76 LYS HB2 . 16379 1 674 . 1 1 68 68 LYS HB3 H 1 1.986 0.003 . 2 . . . . . 76 LYS HB3 . 16379 1 675 . 1 1 68 68 LYS HG2 H 1 1.16 0.003 . 2 . . . . . 76 LYS HG . 16379 1 676 . 1 1 68 68 LYS HG3 H 1 1.16 0.003 . 2 . . . . . 76 LYS HG . 16379 1 677 . 1 1 68 68 LYS C C 13 175.33 0.003 . 1 . . . . . 76 LYS C . 16379 1 678 . 1 1 68 68 LYS CA C 13 58.24 0.003 . 1 . . . . . 76 LYS CA . 16379 1 679 . 1 1 68 68 LYS CB C 13 29.81 0.003 . 1 . . . . . 76 LYS CB . 16379 1 680 . 1 1 68 68 LYS CE C 13 42.73 0.003 . 1 . . . . . 76 LYS CE . 16379 1 681 . 1 1 68 68 LYS CG C 13 26.14 0.003 . 1 . . . . . 76 LYS CG . 16379 1 682 . 1 1 68 68 LYS N N 15 113.9 0.003 . 1 . . . . . 76 LYS N . 16379 1 683 . 1 1 69 69 THR H H 1 7.708 0.003 . 1 . . . . . 77 THR H . 16379 1 684 . 1 1 69 69 THR HA H 1 4.964 0.003 . 1 . . . . . 77 THR HA . 16379 1 685 . 1 1 69 69 THR HB H 1 3.435 0.003 . 1 . . . . . 77 THR HB . 16379 1 686 . 1 1 69 69 THR HG21 H 1 0.9279 0.003 . 1 . . . . . 77 THR HG . 16379 1 687 . 1 1 69 69 THR HG22 H 1 0.9279 0.003 . 1 . . . . . 77 THR HG . 16379 1 688 . 1 1 69 69 THR HG23 H 1 0.9279 0.003 . 1 . . . . . 77 THR HG . 16379 1 689 . 1 1 69 69 THR C C 13 173.721 0.003 . 1 . . . . . 77 THR C . 16379 1 690 . 1 1 69 69 THR CA C 13 60.7 0.003 . 1 . . . . . 77 THR CA . 16379 1 691 . 1 1 69 69 THR CB C 13 71.75 0.003 . 1 . . . . . 77 THR CB . 16379 1 692 . 1 1 69 69 THR N N 15 108.6 0.003 . 1 . . . . . 77 THR N . 16379 1 693 . 1 1 70 70 GLN H H 1 8.84 0.003 . 1 . . . . . 78 GLN H . 16379 1 694 . 1 1 70 70 GLN CA C 13 55.14 0.003 . 1 . . . . . 78 GLN CA . 16379 1 695 . 1 1 70 70 GLN CB C 13 32.23 0.003 . 1 . . . . . 78 GLN CB . 16379 1 696 . 1 1 70 70 GLN N N 15 123.7 0.003 . 1 . . . . . 78 GLN N . 16379 1 697 . 1 1 71 71 LEU HA H 1 4.482 0.003 . 1 . . . . . 79 LEU HA . 16379 1 698 . 1 1 71 71 LEU HB2 H 1 0.702 0.003 . 2 . . . . . 79 LEU HB . 16379 1 699 . 1 1 71 71 LEU HB3 H 1 0.702 0.003 . 2 . . . . . 79 LEU HB . 16379 1 700 . 1 1 71 71 LEU C C 13 175.122 0.003 . 1 . . . . . 79 LEU C . 16379 1 701 . 1 1 71 71 LEU CA C 13 54.33 0.003 . 1 . . . . . 79 LEU CA . 16379 1 702 . 1 1 71 71 LEU CB C 13 44.12 0.003 . 1 . . . . . 79 LEU CB . 16379 1 703 . 1 1 71 71 LEU CG C 13 26.42 0.003 . 1 . . . . . 79 LEU CG . 16379 1 704 . 1 1 72 72 TYR H H 1 8.716 0.003 . 1 . . . . . 80 TYR H . 16379 1 705 . 1 1 72 72 TYR HA H 1 4.841 0.003 . 1 . . . . . 80 TYR HA . 16379 1 706 . 1 1 72 72 TYR HB2 H 1 2.506 0.003 . 2 . . . . . 80 TYR HB . 16379 1 707 . 1 1 72 72 TYR HB3 H 1 2.506 0.003 . 2 . . . . . 80 TYR HB . 16379 1 708 . 1 1 72 72 TYR C C 13 176.174 0.003 . 1 . . . . . 80 TYR C . 16379 1 709 . 1 1 72 72 TYR CA C 13 57.22 0.003 . 1 . . . . . 80 TYR CA . 16379 1 710 . 1 1 72 72 TYR CB C 13 41.35 0.003 . 1 . . . . . 80 TYR CB . 16379 1 711 . 1 1 72 72 TYR N N 15 118.5 0.003 . 1 . . . . . 80 TYR N . 16379 1 712 . 1 1 73 73 VAL H H 1 8.442 0.003 . 1 . . . . . 81 VAL H . 16379 1 713 . 1 1 73 73 VAL HA H 1 3.629 0.003 . 1 . . . . . 81 VAL HA . 16379 1 714 . 1 1 73 73 VAL HB H 1 1.741 0.003 . 1 . . . . . 81 VAL HB . 16379 1 715 . 1 1 73 73 VAL HG11 H 1 0.6789 0.003 . 2 . . . . . 81 VAL HG1 . 16379 1 716 . 1 1 73 73 VAL HG12 H 1 0.6789 0.003 . 2 . . . . . 81 VAL HG1 . 16379 1 717 . 1 1 73 73 VAL HG13 H 1 0.6789 0.003 . 2 . . . . . 81 VAL HG1 . 16379 1 718 . 1 1 73 73 VAL HG21 H 1 0.5402 0.003 . 2 . . . . . 81 VAL HG2 . 16379 1 719 . 1 1 73 73 VAL HG22 H 1 0.5402 0.003 . 2 . . . . . 81 VAL HG2 . 16379 1 720 . 1 1 73 73 VAL HG23 H 1 0.5402 0.003 . 2 . . . . . 81 VAL HG2 . 16379 1 721 . 1 1 73 73 VAL C C 13 174.977 0.003 . 1 . . . . . 81 VAL C . 16379 1 722 . 1 1 73 73 VAL CA C 13 64.73 0.003 . 1 . . . . . 81 VAL CA . 16379 1 723 . 1 1 73 73 VAL CB C 13 32.0 0.003 . 1 . . . . . 81 VAL CB . 16379 1 724 . 1 1 73 73 VAL N N 15 120.8 0.003 . 1 . . . . . 81 VAL N . 16379 1 725 . 1 1 74 74 THR H H 1 8.721 0.003 . 1 . . . . . 82 THR H . 16379 1 726 . 1 1 74 74 THR HA H 1 4.797 0.003 . 1 . . . . . 82 THR HA . 16379 1 727 . 1 1 74 74 THR HB H 1 3.708 0.003 . 1 . . . . . 82 THR HB . 16379 1 728 . 1 1 74 74 THR C C 13 173.603 0.003 . 1 . . . . . 82 THR C . 16379 1 729 . 1 1 74 74 THR CA C 13 60.92 0.003 . 1 . . . . . 82 THR CA . 16379 1 730 . 1 1 74 74 THR CB C 13 71.78 0.003 . 1 . . . . . 82 THR CB . 16379 1 731 . 1 1 74 74 THR N N 15 117.1 0.003 . 1 . . . . . 82 THR N . 16379 1 732 . 1 1 75 75 ALA H H 1 8.356 0.003 . 1 . . . . . 83 ALA H . 16379 1 733 . 1 1 75 75 ALA HA H 1 4.167 0.003 . 1 . . . . . 83 ALA HA . 16379 1 734 . 1 1 75 75 ALA HB1 H 1 1.475 0.003 . 1 . . . . . 83 ALA HB . 16379 1 735 . 1 1 75 75 ALA HB2 H 1 1.475 0.003 . 1 . . . . . 83 ALA HB . 16379 1 736 . 1 1 75 75 ALA HB3 H 1 1.475 0.003 . 1 . . . . . 83 ALA HB . 16379 1 737 . 1 1 75 75 ALA C C 13 177.696 0.003 . 1 . . . . . 83 ALA C . 16379 1 738 . 1 1 75 75 ALA CA C 13 53.3 0.003 . 1 . . . . . 83 ALA CA . 16379 1 739 . 1 1 75 75 ALA CB C 13 21.84 0.003 . 1 . . . . . 83 ALA CB . 16379 1 740 . 1 1 75 75 ALA N N 15 124.0 0.003 . 1 . . . . . 83 ALA N . 16379 1 741 . 1 1 76 76 GLN H H 1 7.978 0.003 . 1 . . . . . 84 GLN H . 16379 1 742 . 1 1 76 76 GLN HA H 1 4.471 0.003 . 1 . . . . . 84 GLN HA . 16379 1 743 . 1 1 76 76 GLN HB2 H 1 2.074 0.003 . 2 . . . . . 84 GLN HB . 16379 1 744 . 1 1 76 76 GLN HB3 H 1 2.074 0.003 . 2 . . . . . 84 GLN HB . 16379 1 745 . 1 1 76 76 GLN HG2 H 1 2.464 0.003 . 2 . . . . . 84 GLN HG . 16379 1 746 . 1 1 76 76 GLN HG3 H 1 2.464 0.003 . 2 . . . . . 84 GLN HG . 16379 1 747 . 1 1 76 76 GLN C C 13 172.876 0.003 . 1 . . . . . 84 GLN C . 16379 1 748 . 1 1 76 76 GLN CA C 13 56.97 0.003 . 1 . . . . . 84 GLN CA . 16379 1 749 . 1 1 76 76 GLN CB C 13 30.33 0.003 . 1 . . . . . 84 GLN CB . 16379 1 750 . 1 1 76 76 GLN CG C 13 36.64 0.003 . 1 . . . . . 84 GLN CG . 16379 1 751 . 1 1 76 76 GLN N N 15 120.3 0.003 . 1 . . . . . 84 GLN N . 16379 1 752 . 1 1 77 77 ASP H H 1 7.49 0.003 . 1 . . . . . 85 ASP H . 16379 1 753 . 1 1 77 77 ASP HA H 1 4.331 0.003 . 1 . . . . . 85 ASP HA . 16379 1 754 . 1 1 77 77 ASP HB2 H 1 2.242 0.003 . 2 . . . . . 85 ASP HB2 . 16379 1 755 . 1 1 77 77 ASP HB3 H 1 2.602 0.003 . 2 . . . . . 85 ASP HB3 . 16379 1 756 . 1 1 77 77 ASP C C 13 176.198 0.003 . 1 . . . . . 85 ASP C . 16379 1 757 . 1 1 77 77 ASP CA C 13 52.58 0.003 . 1 . . . . . 85 ASP CA . 16379 1 758 . 1 1 77 77 ASP CB C 13 43.63 0.003 . 1 . . . . . 85 ASP CB . 16379 1 759 . 1 1 77 77 ASP N N 15 117.1 0.003 . 1 . . . . . 85 ASP N . 16379 1 760 . 1 1 78 78 GLU H H 1 9.054 0.003 . 1 . . . . . 86 GLU H . 16379 1 761 . 1 1 78 78 GLU HA H 1 3.315 0.003 . 1 . . . . . 86 GLU HA . 16379 1 762 . 1 1 78 78 GLU HB2 H 1 1.868 0.003 . 2 . . . . . 86 GLU HB2 . 16379 1 763 . 1 1 78 78 GLU HB3 H 1 2.172 0.003 . 2 . . . . . 86 GLU HB3 . 16379 1 764 . 1 1 78 78 GLU C C 13 175.488 0.003 . 1 . . . . . 86 GLU C . 16379 1 765 . 1 1 78 78 GLU CA C 13 59.49 0.003 . 1 . . . . . 86 GLU CA . 16379 1 766 . 1 1 78 78 GLU CB C 13 29.67 0.003 . 1 . . . . . 86 GLU CB . 16379 1 767 . 1 1 78 78 GLU N N 15 120.4 0.003 . 1 . . . . . 86 GLU N . 16379 1 768 . 1 1 79 79 ASP H H 1 9.032 0.003 . 1 . . . . . 87 ASP H . 16379 1 769 . 1 1 79 79 ASP HA H 1 4.402 0.003 . 1 . . . . . 87 ASP HA . 16379 1 770 . 1 1 79 79 ASP HB2 H 1 2.862 0.003 . 2 . . . . . 87 ASP HB . 16379 1 771 . 1 1 79 79 ASP HB3 H 1 2.862 0.003 . 2 . . . . . 87 ASP HB . 16379 1 772 . 1 1 79 79 ASP C C 13 174.507 0.003 . 1 . . . . . 87 ASP C . 16379 1 773 . 1 1 79 79 ASP CA C 13 57.24 0.003 . 1 . . . . . 87 ASP CA . 16379 1 774 . 1 1 79 79 ASP CB C 13 39.75 0.003 . 1 . . . . . 87 ASP CB . 16379 1 775 . 1 1 79 79 ASP N N 15 118.6 0.003 . 1 . . . . . 87 ASP N . 16379 1 776 . 1 1 80 80 GLN H H 1 7.69 0.003 . 1 . . . . . 88 GLN H . 16379 1 777 . 1 1 80 80 GLN HA H 1 4.414 0.003 . 1 . . . . . 88 GLN HA . 16379 1 778 . 1 1 80 80 GLN HB2 H 1 1.921 0.003 . 2 . . . . . 88 GLN HB . 16379 1 779 . 1 1 80 80 GLN HB3 H 1 1.921 0.003 . 2 . . . . . 88 GLN HB . 16379 1 780 . 1 1 80 80 GLN CA C 13 53.6 0.003 . 1 . . . . . 88 GLN CA . 16379 1 781 . 1 1 80 80 GLN CB C 13 29.96 0.003 . 1 . . . . . 88 GLN CB . 16379 1 782 . 1 1 80 80 GLN N N 15 115.7 0.003 . 1 . . . . . 88 GLN N . 16379 1 783 . 1 1 81 81 PRO HA H 1 4.826 0.003 . 1 . . . . . 89 PRO HA . 16379 1 784 . 1 1 81 81 PRO HB2 H 1 2.196 0.003 . 2 . . . . . 89 PRO HB . 16379 1 785 . 1 1 81 81 PRO HB3 H 1 2.196 0.003 . 2 . . . . . 89 PRO HB . 16379 1 786 . 1 1 81 81 PRO C C 13 178.589 0.003 . 1 . . . . . 89 PRO C . 16379 1 787 . 1 1 81 81 PRO CA C 13 62.96 0.003 . 1 . . . . . 89 PRO CA . 16379 1 788 . 1 1 81 81 PRO CB C 13 32.64 0.003 . 1 . . . . . 89 PRO CB . 16379 1 789 . 1 1 82 82 VAL H H 1 8.007 0.003 . 1 . . . . . 90 VAL H . 16379 1 790 . 1 1 82 82 VAL HA H 1 4.505 0.003 . 1 . . . . . 90 VAL HA . 16379 1 791 . 1 1 82 82 VAL HB H 1 2.709 0.003 . 1 . . . . . 90 VAL HB . 16379 1 792 . 1 1 82 82 VAL HG11 H 1 0.7379 0.003 . 2 . . . . . 90 VAL HG1 . 16379 1 793 . 1 1 82 82 VAL HG12 H 1 0.7379 0.003 . 2 . . . . . 90 VAL HG1 . 16379 1 794 . 1 1 82 82 VAL HG13 H 1 0.7379 0.003 . 2 . . . . . 90 VAL HG1 . 16379 1 795 . 1 1 82 82 VAL HG21 H 1 0.614 0.003 . 2 . . . . . 90 VAL HG2 . 16379 1 796 . 1 1 82 82 VAL HG22 H 1 0.614 0.003 . 2 . . . . . 90 VAL HG2 . 16379 1 797 . 1 1 82 82 VAL HG23 H 1 0.614 0.003 . 2 . . . . . 90 VAL HG2 . 16379 1 798 . 1 1 82 82 VAL C C 13 174.309 0.003 . 1 . . . . . 90 VAL C . 16379 1 799 . 1 1 82 82 VAL CA C 13 62.39 0.003 . 1 . . . . . 90 VAL CA . 16379 1 800 . 1 1 82 82 VAL CB C 13 31.34 0.003 . 1 . . . . . 90 VAL CB . 16379 1 801 . 1 1 82 82 VAL CG1 C 13 21.95 0.003 . 2 . . . . . 90 VAL CG1 . 16379 1 802 . 1 1 82 82 VAL CG2 C 13 20.25 0.003 . 2 . . . . . 90 VAL CG2 . 16379 1 803 . 1 1 82 82 VAL N N 15 113.6 0.003 . 1 . . . . . 90 VAL N . 16379 1 804 . 1 1 83 83 LEU H H 1 8.613 0.003 . 1 . . . . . 91 LEU H . 16379 1 805 . 1 1 83 83 LEU HA H 1 5.019 0.003 . 1 . . . . . 91 LEU HA . 16379 1 806 . 1 1 83 83 LEU HB2 H 1 1.251 0.003 . 2 . . . . . 91 LEU HB . 16379 1 807 . 1 1 83 83 LEU HB3 H 1 1.251 0.003 . 2 . . . . . 91 LEU HB . 16379 1 808 . 1 1 83 83 LEU HG H 1 0.614 0.003 . 1 . . . . . 91 LEU HG . 16379 1 809 . 1 1 83 83 LEU C C 13 176.824 0.003 . 1 . . . . . 91 LEU C . 16379 1 810 . 1 1 83 83 LEU CA C 13 53.46 0.003 . 1 . . . . . 91 LEU CA . 16379 1 811 . 1 1 83 83 LEU CB C 13 47.13 0.003 . 1 . . . . . 91 LEU CB . 16379 1 812 . 1 1 83 83 LEU CG C 13 25.33 0.003 . 1 . . . . . 91 LEU CG . 16379 1 813 . 1 1 83 83 LEU N N 15 119.9 0.003 . 1 . . . . . 91 LEU N . 16379 1 814 . 1 1 84 84 LEU H H 1 8.459 0.003 . 1 . . . . . 92 LEU H . 16379 1 815 . 1 1 84 84 LEU HA H 1 4.768 0.003 . 1 . . . . . 92 LEU HA . 16379 1 816 . 1 1 84 84 LEU HB2 H 1 1.573 0.003 . 2 . . . . . 92 LEU HB . 16379 1 817 . 1 1 84 84 LEU HB3 H 1 1.573 0.003 . 2 . . . . . 92 LEU HB . 16379 1 818 . 1 1 84 84 LEU HG H 1 0.605 0.003 . 1 . . . . . 92 LEU HG . 16379 1 819 . 1 1 84 84 LEU C C 13 175.826 0.003 . 1 . . . . . 92 LEU C . 16379 1 820 . 1 1 84 84 LEU CA C 13 53.96 0.003 . 1 . . . . . 92 LEU CA . 16379 1 821 . 1 1 84 84 LEU CB C 13 42.78 0.003 . 1 . . . . . 92 LEU CB . 16379 1 822 . 1 1 84 84 LEU CG C 13 25.86 0.003 . 1 . . . . . 92 LEU CG . 16379 1 823 . 1 1 84 84 LEU N N 15 122.1 0.003 . 1 . . . . . 92 LEU N . 16379 1 824 . 1 1 85 85 LYS H H 1 9.082 0.003 . 1 . . . . . 93 LYS H . 16379 1 825 . 1 1 85 85 LYS HA H 1 4.467 0.003 . 1 . . . . . 93 LYS HA . 16379 1 826 . 1 1 85 85 LYS HB2 H 1 1.458 0.003 . 2 . . . . . 93 LYS HB2 . 16379 1 827 . 1 1 85 85 LYS HB3 H 1 1.606 0.003 . 2 . . . . . 93 LYS HB3 . 16379 1 828 . 1 1 85 85 LYS HD2 H 1 1.529 0.003 . 2 . . . . . 93 LYS HD . 16379 1 829 . 1 1 85 85 LYS HD3 H 1 1.529 0.003 . 2 . . . . . 93 LYS HD . 16379 1 830 . 1 1 85 85 LYS HG2 H 1 0.504 0.003 . 1 . . . . . 93 LYS HG1 . 16379 1 831 . 1 1 85 85 LYS HG3 H 1 0.693 0.003 . 2 . . . . . 93 LYS HG2 . 16379 1 832 . 1 1 85 85 LYS C C 13 174.976 0.003 . 1 . . . . . 93 LYS C . 16379 1 833 . 1 1 85 85 LYS CA C 13 55.12 0.003 . 1 . . . . . 93 LYS CA . 16379 1 834 . 1 1 85 85 LYS CB C 13 36.95 0.003 . 1 . . . . . 93 LYS CB . 16379 1 835 . 1 1 85 85 LYS CD C 13 29.94 0.003 . 1 . . . . . 93 LYS CD . 16379 1 836 . 1 1 85 85 LYS CG C 13 25.49 0.003 . 1 . . . . . 93 LYS CG . 16379 1 837 . 1 1 85 85 LYS N N 15 124.1 0.003 . 1 . . . . . 93 LYS N . 16379 1 838 . 1 1 86 86 GLU H H 1 8.59 0.003 . 1 . . . . . 94 GLU H . 16379 1 839 . 1 1 86 86 GLU HA H 1 5.121 0.003 . 1 . . . . . 94 GLU HA . 16379 1 840 . 1 1 86 86 GLU HB2 H 1 1.685 0.003 . 2 . . . . . 94 GLU HB2 . 16379 1 841 . 1 1 86 86 GLU HB3 H 1 1.788 0.003 . 2 . . . . . 94 GLU HB3 . 16379 1 842 . 1 1 86 86 GLU HG2 H 1 1.971 0.003 . 2 . . . . . 94 GLU HG . 16379 1 843 . 1 1 86 86 GLU HG3 H 1 1.971 0.003 . 2 . . . . . 94 GLU HG . 16379 1 844 . 1 1 86 86 GLU C C 13 176.939 0.003 . 1 . . . . . 94 GLU C . 16379 1 845 . 1 1 86 86 GLU CA C 13 56.11 0.003 . 1 . . . . . 94 GLU CA . 16379 1 846 . 1 1 86 86 GLU CB C 13 31.09 0.003 . 1 . . . . . 94 GLU CB . 16379 1 847 . 1 1 86 86 GLU CG C 13 37.3 0.003 . 1 . . . . . 94 GLU CG . 16379 1 848 . 1 1 86 86 GLU N N 15 125.7 0.003 . 1 . . . . . 94 GLU N . 16379 1 849 . 1 1 87 87 MET H H 1 8.812 0.003 . 1 . . . . . 95 MET H . 16379 1 850 . 1 1 87 87 MET HA H 1 4.962 0.003 . 1 . . . . . 95 MET HA . 16379 1 851 . 1 1 87 87 MET HB2 H 1 1.977 0.003 . 2 . . . . . 95 MET HB2 . 16379 1 852 . 1 1 87 87 MET HB3 H 1 2.29 0.003 . 2 . . . . . 95 MET HB3 . 16379 1 853 . 1 1 87 87 MET CA C 13 53.26 0.003 . 1 . . . . . 95 MET CA . 16379 1 854 . 1 1 87 87 MET CB C 13 35.17 0.003 . 1 . . . . . 95 MET CB . 16379 1 855 . 1 1 87 87 MET N N 15 122.9 0.003 . 1 . . . . . 95 MET N . 16379 1 856 . 1 1 88 88 PRO HA H 1 4.173 0.003 . 1 . . . . . 96 PRO HA . 16379 1 857 . 1 1 88 88 PRO HB2 H 1 1.643 0.003 . 2 . . . . . 96 PRO HB2 . 16379 1 858 . 1 1 88 88 PRO HB3 H 1 2.181 0.003 . 2 . . . . . 96 PRO HB3 . 16379 1 859 . 1 1 88 88 PRO C C 13 175.648 0.003 . 1 . . . . . 96 PRO C . 16379 1 860 . 1 1 88 88 PRO CA C 13 63.1 0.003 . 1 . . . . . 96 PRO CA . 16379 1 861 . 1 1 88 88 PRO CB C 13 32.5 0.003 . 1 . . . . . 96 PRO CB . 16379 1 862 . 1 1 88 88 PRO CG C 13 27.89 0.003 . 1 . . . . . 96 PRO CG . 16379 1 863 . 1 1 89 89 GLU H H 1 6.928 0.003 . 1 . . . . . 97 GLU H . 16379 1 864 . 1 1 89 89 GLU HA H 1 4.296 0.003 . 1 . . . . . 97 GLU HA . 16379 1 865 . 1 1 89 89 GLU HB2 H 1 1.508 0.003 . 2 . . . . . 97 GLU HB2 . 16379 1 866 . 1 1 89 89 GLU HB3 H 1 1.906 0.003 . 2 . . . . . 97 GLU HB3 . 16379 1 867 . 1 1 89 89 GLU C C 13 174.385 0.003 . 1 . . . . . 97 GLU C . 16379 1 868 . 1 1 89 89 GLU CA C 13 54.3 0.003 . 1 . . . . . 97 GLU CA . 16379 1 869 . 1 1 89 89 GLU CB C 13 32.69 0.003 . 1 . . . . . 97 GLU CB . 16379 1 870 . 1 1 89 89 GLU CG C 13 35.27 0.003 . 1 . . . . . 97 GLU CG . 16379 1 871 . 1 1 89 89 GLU N N 15 110.6 0.003 . 1 . . . . . 97 GLU N . 16379 1 872 . 1 1 90 90 ILE H H 1 8.223 0.003 . 1 . . . . . 98 ILE H . 16379 1 873 . 1 1 90 90 ILE CA C 13 60.05 0.003 . 1 . . . . . 98 ILE CA . 16379 1 874 . 1 1 90 90 ILE CB C 13 39.66 0.003 . 1 . . . . . 98 ILE CB . 16379 1 875 . 1 1 90 90 ILE N N 15 123.5 0.003 . 1 . . . . . 98 ILE N . 16379 1 876 . 1 1 91 91 PRO HA H 1 4.137 0.003 . 1 . . . . . 99 PRO HA . 16379 1 877 . 1 1 91 91 PRO HB2 H 1 1.583 0.003 . 2 . . . . . 99 PRO HB . 16379 1 878 . 1 1 91 91 PRO HB3 H 1 1.583 0.003 . 2 . . . . . 99 PRO HB . 16379 1 879 . 1 1 91 91 PRO C C 13 178.045 0.003 . 1 . . . . . 99 PRO C . 16379 1 880 . 1 1 91 91 PRO CA C 13 63.1 0.003 . 1 . . . . . 99 PRO CA . 16379 1 881 . 1 1 91 91 PRO CB C 13 31.99 0.003 . 1 . . . . . 99 PRO CB . 16379 1 882 . 1 1 91 91 PRO CG C 13 28.44 0.003 . 1 . . . . . 99 PRO CG . 16379 1 883 . 1 1 92 92 LYS H H 1 8.67 0.003 . 1 . . . . . 100 LYS H . 16379 1 884 . 1 1 92 92 LYS HA H 1 4.029 0.003 . 1 . . . . . 100 LYS HA . 16379 1 885 . 1 1 92 92 LYS HB2 H 1 1.862 0.003 . 2 . . . . . 100 LYS HB . 16379 1 886 . 1 1 92 92 LYS HB3 H 1 1.862 0.003 . 2 . . . . . 100 LYS HB . 16379 1 887 . 1 1 92 92 LYS HD2 H 1 1.564 0.003 . 2 . . . . . 100 LYS HD . 16379 1 888 . 1 1 92 92 LYS HD3 H 1 1.564 0.003 . 2 . . . . . 100 LYS HD . 16379 1 889 . 1 1 92 92 LYS HE2 H 1 2.9 0.003 . 2 . . . . . 100 LYS HE . 16379 1 890 . 1 1 92 92 LYS HE3 H 1 2.9 0.003 . 2 . . . . . 100 LYS HE . 16379 1 891 . 1 1 92 92 LYS C C 13 177.612 0.003 . 1 . . . . . 100 LYS C . 16379 1 892 . 1 1 92 92 LYS CA C 13 59.24 0.003 . 1 . . . . . 100 LYS CA . 16379 1 893 . 1 1 92 92 LYS CB C 13 32.72 0.003 . 1 . . . . . 100 LYS CB . 16379 1 894 . 1 1 92 92 LYS CD C 13 29.1 0.003 . 1 . . . . . 100 LYS CD . 16379 1 895 . 1 1 92 92 LYS CG C 13 25.86 0.003 . 1 . . . . . 100 LYS CG . 16379 1 896 . 1 1 92 92 LYS N N 15 124.1 0.003 . 1 . . . . . 100 LYS N . 16379 1 897 . 1 1 93 93 THR H H 1 7.622 0.003 . 1 . . . . . 101 THR H . 16379 1 898 . 1 1 93 93 THR HA H 1 5.331 0.003 . 1 . . . . . 101 THR HA . 16379 1 899 . 1 1 93 93 THR HB H 1 3.735 0.003 . 1 . . . . . 101 THR HB . 16379 1 900 . 1 1 93 93 THR C C 13 172.858 0.003 . 1 . . . . . 101 THR C . 16379 1 901 . 1 1 93 93 THR CA C 13 61.23 0.003 . 1 . . . . . 101 THR CA . 16379 1 902 . 1 1 93 93 THR CB C 13 72.34 0.003 . 1 . . . . . 101 THR CB . 16379 1 903 . 1 1 93 93 THR N N 15 111.4 0.003 . 1 . . . . . 101 THR N . 16379 1 904 . 1 1 94 94 ILE H H 1 9.147 0.003 . 1 . . . . . 102 ILE H . 16379 1 905 . 1 1 94 94 ILE HA H 1 4.284 0.003 . 1 . . . . . 102 ILE HA . 16379 1 906 . 1 1 94 94 ILE HB H 1 1.139 0.003 . 1 . . . . . 102 ILE HB . 16379 1 907 . 1 1 94 94 ILE CA C 13 61.05 0.003 . 1 . . . . . 102 ILE CA . 16379 1 908 . 1 1 94 94 ILE CB C 13 42.39 0.003 . 1 . . . . . 102 ILE CB . 16379 1 909 . 1 1 94 94 ILE N N 15 125.2 0.003 . 1 . . . . . 102 ILE N . 16379 1 910 . 1 1 95 95 THR HA H 1 4.525 0.003 . 1 . . . . . 103 THR HA . 16379 1 911 . 1 1 95 95 THR HB H 1 4.092 0.003 . 1 . . . . . 103 THR HB . 16379 1 912 . 1 1 95 95 THR C C 13 173.711 0.003 . 1 . . . . . 103 THR C . 16379 1 913 . 1 1 95 95 THR CA C 13 60.92 0.003 . 1 . . . . . 103 THR CA . 16379 1 914 . 1 1 95 95 THR CB C 13 71.18 0.003 . 1 . . . . . 103 THR CB . 16379 1 915 . 1 1 96 96 GLY H H 1 8.465 0.003 . 1 . . . . . 104 GLY H . 16379 1 916 . 1 1 96 96 GLY HA2 H 1 4.63 0.003 . 2 . . . . . 104 GLY HA . 16379 1 917 . 1 1 96 96 GLY HA3 H 1 4.63 0.003 . 2 . . . . . 104 GLY HA . 16379 1 918 . 1 1 96 96 GLY CA C 13 47.48 0.003 . 1 . . . . . 104 GLY CA . 16379 1 919 . 1 1 96 96 GLY N N 15 108.1 0.003 . 1 . . . . . 104 GLY N . 16379 1 920 . 1 1 97 97 SER HA H 1 4.034 0.003 . 1 . . . . . 105 SER HA . 16379 1 921 . 1 1 97 97 SER HB2 H 1 3.769 0.003 . 2 . . . . . 105 SER HB . 16379 1 922 . 1 1 97 97 SER HB3 H 1 3.769 0.003 . 2 . . . . . 105 SER HB . 16379 1 923 . 1 1 97 97 SER C C 13 175.401 0.003 . 1 . . . . . 105 SER C . 16379 1 924 . 1 1 97 97 SER CA C 13 60.92 0.003 . 1 . . . . . 105 SER CA . 16379 1 925 . 1 1 97 97 SER CB C 13 63.2 0.003 . 1 . . . . . 105 SER CB . 16379 1 926 . 1 1 98 98 GLU H H 1 7.631 0.003 . 1 . . . . . 106 GLU H . 16379 1 927 . 1 1 98 98 GLU HA H 1 4.243 0.003 . 1 . . . . . 106 GLU HA . 16379 1 928 . 1 1 98 98 GLU HB2 H 1 2.045 0.003 . 2 . . . . . 106 GLU HB . 16379 1 929 . 1 1 98 98 GLU HB3 H 1 2.045 0.003 . 2 . . . . . 106 GLU HB . 16379 1 930 . 1 1 98 98 GLU HG2 H 1 2.156 0.003 . 2 . . . . . 106 GLU HG . 16379 1 931 . 1 1 98 98 GLU HG3 H 1 2.156 0.003 . 2 . . . . . 106 GLU HG . 16379 1 932 . 1 1 98 98 GLU C C 13 175.961 0.003 . 1 . . . . . 106 GLU C . 16379 1 933 . 1 1 98 98 GLU CA C 13 57.94 0.003 . 1 . . . . . 106 GLU CA . 16379 1 934 . 1 1 98 98 GLU CB C 13 30.08 0.003 . 1 . . . . . 106 GLU CB . 16379 1 935 . 1 1 98 98 GLU CG C 13 37.78 0.003 . 1 . . . . . 106 GLU CG . 16379 1 936 . 1 1 98 98 GLU N N 15 117.9 0.003 . 1 . . . . . 106 GLU N . 16379 1 937 . 1 1 99 99 THR H H 1 7.434 0.003 . 1 . . . . . 107 THR H . 16379 1 938 . 1 1 99 99 THR HA H 1 3.19 0.003 . 1 . . . . . 107 THR HA . 16379 1 939 . 1 1 99 99 THR HB H 1 3.82 0.003 . 1 . . . . . 107 THR HB . 16379 1 940 . 1 1 99 99 THR C C 13 174.596 0.003 . 1 . . . . . 107 THR C . 16379 1 941 . 1 1 99 99 THR CA C 13 64.95 0.003 . 1 . . . . . 107 THR CA . 16379 1 942 . 1 1 99 99 THR CB C 13 69.1 0.003 . 1 . . . . . 107 THR CB . 16379 1 943 . 1 1 99 99 THR N N 15 107.9 0.003 . 1 . . . . . 107 THR N . 16379 1 944 . 1 1 100 100 ASN H H 1 7.486 0.003 . 1 . . . . . 108 ASN H . 16379 1 945 . 1 1 100 100 ASN HA H 1 4.148 0.003 . 1 . . . . . 108 ASN HA . 16379 1 946 . 1 1 100 100 ASN HB2 H 1 2.676 0.003 . 2 . . . . . 108 ASN HB2 . 16379 1 947 . 1 1 100 100 ASN HB3 H 1 3.04 0.003 . 2 . . . . . 108 ASN HB3 . 16379 1 948 . 1 1 100 100 ASN C C 13 176.63 0.003 . 1 . . . . . 108 ASN C . 16379 1 949 . 1 1 100 100 ASN CA C 13 55.84 0.003 . 1 . . . . . 108 ASN CA . 16379 1 950 . 1 1 100 100 ASN CB C 13 36.63 0.003 . 1 . . . . . 108 ASN CB . 16379 1 951 . 1 1 100 100 ASN N N 15 117.5 0.003 . 1 . . . . . 108 ASN N . 16379 1 952 . 1 1 101 101 LEU H H 1 7.458 0.003 . 1 . . . . . 109 LEU H . 16379 1 953 . 1 1 101 101 LEU HA H 1 4.396 0.003 . 1 . . . . . 109 LEU HA . 16379 1 954 . 1 1 101 101 LEU HB2 H 1 1.526 0.003 . 2 . . . . . 109 LEU HB . 16379 1 955 . 1 1 101 101 LEU HB3 H 1 1.526 0.003 . 2 . . . . . 109 LEU HB . 16379 1 956 . 1 1 101 101 LEU HD11 H 1 0.6641 0.003 . 1 . . . . . 109 LEU HD . 16379 1 957 . 1 1 101 101 LEU HD12 H 1 0.6641 0.003 . 1 . . . . . 109 LEU HD . 16379 1 958 . 1 1 101 101 LEU HD13 H 1 0.6641 0.003 . 1 . . . . . 109 LEU HD . 16379 1 959 . 1 1 101 101 LEU HD21 H 1 0.6641 0.003 . 1 . . . . . 109 LEU HD . 16379 1 960 . 1 1 101 101 LEU HD22 H 1 0.6641 0.003 . 1 . . . . . 109 LEU HD . 16379 1 961 . 1 1 101 101 LEU HD23 H 1 0.6641 0.003 . 1 . . . . . 109 LEU HD . 16379 1 962 . 1 1 101 101 LEU HG H 1 1.396 0.003 . 1 . . . . . 109 LEU HG . 16379 1 963 . 1 1 101 101 LEU C C 13 175.282 0.003 . 1 . . . . . 109 LEU C . 16379 1 964 . 1 1 101 101 LEU CA C 13 56.64 0.003 . 1 . . . . . 109 LEU CA . 16379 1 965 . 1 1 101 101 LEU CB C 13 44.89 0.003 . 1 . . . . . 109 LEU CB . 16379 1 966 . 1 1 101 101 LEU CD1 C 13 25.38 0.003 . 1 . . . . . 109 LEU CD . 16379 1 967 . 1 1 101 101 LEU CD2 C 13 25.38 0.003 . 1 . . . . . 109 LEU CD . 16379 1 968 . 1 1 101 101 LEU CG C 13 26.37 0.003 . 1 . . . . . 109 LEU CG . 16379 1 969 . 1 1 101 101 LEU N N 15 120.2 0.003 . 1 . . . . . 109 LEU N . 16379 1 970 . 1 1 102 102 LEU H H 1 6.837 0.003 . 1 . . . . . 110 LEU H . 16379 1 971 . 1 1 102 102 LEU HA H 1 4.892 0.003 . 1 . . . . . 110 LEU HA . 16379 1 972 . 1 1 102 102 LEU HB2 H 1 0.935 0.003 . 2 . . . . . 110 LEU HB . 16379 1 973 . 1 1 102 102 LEU HB3 H 1 0.935 0.003 . 2 . . . . . 110 LEU HB . 16379 1 974 . 1 1 102 102 LEU HD11 H 1 -0.312 0.003 . 2 . . . . . 110 LEU HD1 . 16379 1 975 . 1 1 102 102 LEU HD12 H 1 -0.312 0.003 . 2 . . . . . 110 LEU HD1 . 16379 1 976 . 1 1 102 102 LEU HD13 H 1 -0.312 0.003 . 2 . . . . . 110 LEU HD1 . 16379 1 977 . 1 1 102 102 LEU HD21 H 1 -0.474 0.003 . 2 . . . . . 110 LEU HD2 . 16379 1 978 . 1 1 102 102 LEU HD22 H 1 -0.474 0.003 . 2 . . . . . 110 LEU HD2 . 16379 1 979 . 1 1 102 102 LEU HD23 H 1 -0.474 0.003 . 2 . . . . . 110 LEU HD2 . 16379 1 980 . 1 1 102 102 LEU HG H 1 0.354 0.003 . 1 . . . . . 110 LEU HG . 16379 1 981 . 1 1 102 102 LEU C C 13 176.656 0.003 . 1 . . . . . 110 LEU C . 16379 1 982 . 1 1 102 102 LEU CA C 13 53.29 0.003 . 1 . . . . . 110 LEU CA . 16379 1 983 . 1 1 102 102 LEU CB C 13 45.39 0.003 . 1 . . . . . 110 LEU CB . 16379 1 984 . 1 1 102 102 LEU CG C 13 26.29 0.003 . 1 . . . . . 110 LEU CG . 16379 1 985 . 1 1 102 102 LEU N N 15 112.1 0.003 . 1 . . . . . 110 LEU N . 16379 1 986 . 1 1 103 103 PHE H H 1 9.371 0.003 . 1 . . . . . 111 PHE H . 16379 1 987 . 1 1 103 103 PHE HA H 1 5.027 0.003 . 1 . . . . . 111 PHE HA . 16379 1 988 . 1 1 103 103 PHE HB2 H 1 2.852 0.003 . 2 . . . . . 111 PHE HB . 16379 1 989 . 1 1 103 103 PHE HB3 H 1 2.852 0.003 . 2 . . . . . 111 PHE HB . 16379 1 990 . 1 1 103 103 PHE C C 13 175.194 0.003 . 1 . . . . . 111 PHE C . 16379 1 991 . 1 1 103 103 PHE CA C 13 56.99 0.003 . 1 . . . . . 111 PHE CA . 16379 1 992 . 1 1 103 103 PHE CB C 13 43.3 0.003 . 1 . . . . . 111 PHE CB . 16379 1 993 . 1 1 103 103 PHE N N 15 118.5 0.003 . 1 . . . . . 111 PHE N . 16379 1 994 . 1 1 104 104 PHE H H 1 9.971 0.003 . 1 . . . . . 112 PHE H . 16379 1 995 . 1 1 104 104 PHE HA H 1 5.512 0.003 . 1 . . . . . 112 PHE HA . 16379 1 996 . 1 1 104 104 PHE HB2 H 1 2.933 0.003 . 2 . . . . . 112 PHE HB . 16379 1 997 . 1 1 104 104 PHE HB3 H 1 2.933 0.003 . 2 . . . . . 112 PHE HB . 16379 1 998 . 1 1 104 104 PHE C C 13 176.088 0.003 . 1 . . . . . 112 PHE C . 16379 1 999 . 1 1 104 104 PHE CA C 13 57.01 0.003 . 1 . . . . . 112 PHE CA . 16379 1 1000 . 1 1 104 104 PHE CB C 13 39.15 0.003 . 1 . . . . . 112 PHE CB . 16379 1 1001 . 1 1 104 104 PHE N N 15 121.2 0.003 . 1 . . . . . 112 PHE N . 16379 1 1002 . 1 1 105 105 TRP H H 1 8.895 0.003 . 1 . . . . . 113 TRP H . 16379 1 1003 . 1 1 105 105 TRP HA H 1 5.517 0.003 . 1 . . . . . 113 TRP HA . 16379 1 1004 . 1 1 105 105 TRP HB2 H 1 3.198 0.003 . 2 . . . . . 113 TRP HB . 16379 1 1005 . 1 1 105 105 TRP HB3 H 1 3.198 0.003 . 2 . . . . . 113 TRP HB . 16379 1 1006 . 1 1 105 105 TRP C C 13 175.056 0.003 . 1 . . . . . 113 TRP C . 16379 1 1007 . 1 1 105 105 TRP CA C 13 54.64 0.003 . 1 . . . . . 113 TRP CA . 16379 1 1008 . 1 1 105 105 TRP CB C 13 31.11 0.003 . 1 . . . . . 113 TRP CB . 16379 1 1009 . 1 1 105 105 TRP N N 15 125.2 0.003 . 1 . . . . . 113 TRP N . 16379 1 1010 . 1 1 106 106 GLU H H 1 8.824 0.003 . 1 . . . . . 114 GLU H . 16379 1 1011 . 1 1 106 106 GLU HA H 1 4.349 0.003 . 1 . . . . . 114 GLU HA . 16379 1 1012 . 1 1 106 106 GLU HB2 H 1 1.717 0.003 . 2 . . . . . 114 GLU HB . 16379 1 1013 . 1 1 106 106 GLU HB3 H 1 1.717 0.003 . 2 . . . . . 114 GLU HB . 16379 1 1014 . 1 1 106 106 GLU HG2 H 1 2.052 0.003 . 2 . . . . . 114 GLU HG . 16379 1 1015 . 1 1 106 106 GLU HG3 H 1 2.052 0.003 . 2 . . . . . 114 GLU HG . 16379 1 1016 . 1 1 106 106 GLU C C 13 174.063 0.003 . 1 . . . . . 114 GLU C . 16379 1 1017 . 1 1 106 106 GLU CA C 13 54.96 0.003 . 1 . . . . . 114 GLU CA . 16379 1 1018 . 1 1 106 106 GLU CB C 13 34.45 0.003 . 1 . . . . . 114 GLU CB . 16379 1 1019 . 1 1 106 106 GLU CG C 13 37.24 0.003 . 1 . . . . . 114 GLU CG . 16379 1 1020 . 1 1 106 106 GLU N N 15 127.7 0.003 . 1 . . . . . 114 GLU N . 16379 1 1021 . 1 1 107 107 THR H H 1 7.911 0.003 . 1 . . . . . 115 THR H . 16379 1 1022 . 1 1 107 107 THR HA H 1 4.977 0.003 . 1 . . . . . 115 THR HA . 16379 1 1023 . 1 1 107 107 THR HB H 1 4.34 0.003 . 1 . . . . . 115 THR HB . 16379 1 1024 . 1 1 107 107 THR C C 13 173.557 0.003 . 1 . . . . . 115 THR C . 16379 1 1025 . 1 1 107 107 THR CA C 13 60.67 0.003 . 1 . . . . . 115 THR CA . 16379 1 1026 . 1 1 107 107 THR CB C 13 72.85 0.003 . 1 . . . . . 115 THR CB . 16379 1 1027 . 1 1 107 107 THR N N 15 114.6 0.003 . 1 . . . . . 115 THR N . 16379 1 1028 . 1 1 108 108 HIS H H 1 8.168 0.003 . 1 . . . . . 116 HIS H . 16379 1 1029 . 1 1 108 108 HIS CA C 13 54.65 0.003 . 1 . . . . . 116 HIS CA . 16379 1 1030 . 1 1 108 108 HIS N N 15 115.6 0.003 . 1 . . . . . 116 HIS N . 16379 1 1031 . 1 1 110 110 THR HA H 1 4.197 0.003 . 1 . . . . . 118 THR HA . 16379 1 1032 . 1 1 110 110 THR HB H 1 4.42 0.003 . 1 . . . . . 118 THR HB . 16379 1 1033 . 1 1 110 110 THR C C 13 174.226 0.003 . 1 . . . . . 118 THR C . 16379 1 1034 . 1 1 110 110 THR CA C 13 62.63 0.003 . 1 . . . . . 118 THR CA . 16379 1 1035 . 1 1 110 110 THR CB C 13 69.43 0.003 . 1 . . . . . 118 THR CB . 16379 1 1036 . 1 1 111 111 LYS H H 1 7.843 0.003 . 1 . . . . . 119 LYS H . 16379 1 1037 . 1 1 111 111 LYS HA H 1 4.225 0.003 . 1 . . . . . 119 LYS HA . 16379 1 1038 . 1 1 111 111 LYS HB2 H 1 1.293 0.003 . 2 . . . . . 119 LYS HB . 16379 1 1039 . 1 1 111 111 LYS HB3 H 1 1.293 0.003 . 2 . . . . . 119 LYS HB . 16379 1 1040 . 1 1 111 111 LYS HD2 H 1 1.537 0.003 . 2 . . . . . 119 LYS HD . 16379 1 1041 . 1 1 111 111 LYS HD3 H 1 1.537 0.003 . 2 . . . . . 119 LYS HD . 16379 1 1042 . 1 1 111 111 LYS HE2 H 1 2.06 0.003 . 2 . . . . . 119 LYS HE . 16379 1 1043 . 1 1 111 111 LYS HE3 H 1 2.06 0.003 . 2 . . . . . 119 LYS HE . 16379 1 1044 . 1 1 111 111 LYS C C 13 174.943 0.003 . 1 . . . . . 119 LYS C . 16379 1 1045 . 1 1 111 111 LYS CA C 13 57.06 0.003 . 1 . . . . . 119 LYS CA . 16379 1 1046 . 1 1 111 111 LYS CB C 13 34.95 0.003 . 1 . . . . . 119 LYS CB . 16379 1 1047 . 1 1 111 111 LYS CD C 13 29.72 0.003 . 1 . . . . . 119 LYS CD . 16379 1 1048 . 1 1 111 111 LYS CG C 13 26.04 0.003 . 1 . . . . . 119 LYS CG . 16379 1 1049 . 1 1 111 111 LYS N N 15 119.9 0.003 . 1 . . . . . 119 LYS N . 16379 1 1050 . 1 1 112 112 ASN H H 1 8.7 0.003 . 1 . . . . . 120 ASN H . 16379 1 1051 . 1 1 112 112 ASN HA H 1 5.351 0.003 . 1 . . . . . 120 ASN HA . 16379 1 1052 . 1 1 112 112 ASN HB2 H 1 2.676 0.003 . 2 . . . . . 120 ASN HB . 16379 1 1053 . 1 1 112 112 ASN HB3 H 1 2.676 0.003 . 2 . . . . . 120 ASN HB . 16379 1 1054 . 1 1 112 112 ASN C C 13 172.175 0.003 . 1 . . . . . 120 ASN C . 16379 1 1055 . 1 1 112 112 ASN CA C 13 53.36 0.003 . 1 . . . . . 120 ASN CA . 16379 1 1056 . 1 1 112 112 ASN CB C 13 43.09 0.003 . 1 . . . . . 120 ASN CB . 16379 1 1057 . 1 1 112 112 ASN N N 15 118.1 0.003 . 1 . . . . . 120 ASN N . 16379 1 1058 . 1 1 113 113 TYR HA H 1 5.022 0.003 . 1 . . . . . 121 TYR HA . 16379 1 1059 . 1 1 113 113 TYR HB2 H 1 3.197 0.003 . 2 . . . . . 121 TYR HB . 16379 1 1060 . 1 1 113 113 TYR HB3 H 1 3.197 0.003 . 2 . . . . . 121 TYR HB . 16379 1 1061 . 1 1 113 113 TYR C C 13 174.611 0.003 . 1 . . . . . 121 TYR C . 16379 1 1062 . 1 1 113 113 TYR CA C 13 56.84 0.003 . 1 . . . . . 121 TYR CA . 16379 1 1063 . 1 1 113 113 TYR CB C 13 42.75 0.003 . 1 . . . . . 121 TYR CB . 16379 1 1064 . 1 1 114 114 PHE H H 1 10.33 0.003 . 1 . . . . . 122 PHE H . 16379 1 1065 . 1 1 114 114 PHE HA H 1 5.827 0.003 . 1 . . . . . 122 PHE HA . 16379 1 1066 . 1 1 114 114 PHE HB2 H 1 2.402 0.003 . 2 . . . . . 122 PHE HB2 . 16379 1 1067 . 1 1 114 114 PHE HB3 H 1 2.582 0.003 . 2 . . . . . 122 PHE HB3 . 16379 1 1068 . 1 1 114 114 PHE C C 13 175.251 0.003 . 1 . . . . . 122 PHE C . 16379 1 1069 . 1 1 114 114 PHE CA C 13 56.69 0.003 . 1 . . . . . 122 PHE CA . 16379 1 1070 . 1 1 114 114 PHE CB C 13 42.19 0.003 . 1 . . . . . 122 PHE CB . 16379 1 1071 . 1 1 114 114 PHE N N 15 121.5 0.003 . 1 . . . . . 122 PHE N . 16379 1 1072 . 1 1 115 115 THR H H 1 9.085 0.003 . 1 . . . . . 123 THR H . 16379 1 1073 . 1 1 115 115 THR HA H 1 5.207 0.003 . 1 . . . . . 123 THR HA . 16379 1 1074 . 1 1 115 115 THR HB H 1 3.98 0.003 . 1 . . . . . 123 THR HB . 16379 1 1075 . 1 1 115 115 THR C C 13 175.495 0.003 . 1 . . . . . 123 THR C . 16379 1 1076 . 1 1 115 115 THR CA C 13 59.99 0.003 . 1 . . . . . 123 THR CA . 16379 1 1077 . 1 1 115 115 THR CB C 13 71.36 0.003 . 1 . . . . . 123 THR CB . 16379 1 1078 . 1 1 115 115 THR N N 15 115.6 0.003 . 1 . . . . . 123 THR N . 16379 1 1079 . 1 1 116 116 SER H H 1 8.128 0.003 . 1 . . . . . 124 SER H . 16379 1 1080 . 1 1 116 116 SER HA H 1 3.959 0.003 . 1 . . . . . 124 SER HA . 16379 1 1081 . 1 1 116 116 SER HB2 H 1 3.673 0.003 . 2 . . . . . 124 SER HB . 16379 1 1082 . 1 1 116 116 SER HB3 H 1 3.673 0.003 . 2 . . . . . 124 SER HB . 16379 1 1083 . 1 1 116 116 SER C C 13 174.774 0.003 . 1 . . . . . 124 SER C . 16379 1 1084 . 1 1 116 116 SER CA C 13 58.51 0.003 . 1 . . . . . 124 SER CA . 16379 1 1085 . 1 1 116 116 SER CB C 13 64.19 0.003 . 1 . . . . . 124 SER CB . 16379 1 1086 . 1 1 116 116 SER N N 15 116.7 0.003 . 1 . . . . . 124 SER N . 16379 1 1087 . 1 1 117 117 VAL H H 1 7.653 0.003 . 1 . . . . . 125 VAL H . 16379 1 1088 . 1 1 117 117 VAL HA H 1 3.073 0.003 . 1 . . . . . 125 VAL HA . 16379 1 1089 . 1 1 117 117 VAL HB H 1 1.223 0.003 . 1 . . . . . 125 VAL HB . 16379 1 1090 . 1 1 117 117 VAL HG11 H 1 0.3382 0.003 . 2 . . . . . 125 VAL HG1 . 16379 1 1091 . 1 1 117 117 VAL HG12 H 1 0.3382 0.003 . 2 . . . . . 125 VAL HG1 . 16379 1 1092 . 1 1 117 117 VAL HG13 H 1 0.3382 0.003 . 2 . . . . . 125 VAL HG1 . 16379 1 1093 . 1 1 117 117 VAL C C 13 177.127 0.003 . 1 . . . . . 125 VAL C . 16379 1 1094 . 1 1 117 117 VAL CA C 13 65.7 0.003 . 1 . . . . . 125 VAL CA . 16379 1 1095 . 1 1 117 117 VAL CB C 13 31.06 0.003 . 1 . . . . . 125 VAL CB . 16379 1 1096 . 1 1 117 117 VAL N N 15 126.6 0.003 . 1 . . . . . 125 VAL N . 16379 1 1097 . 1 1 118 118 ALA H H 1 6.187 0.003 . 1 . . . . . 126 ALA H . 16379 1 1098 . 1 1 118 118 ALA HA H 1 3.607 0.003 . 1 . . . . . 126 ALA HA . 16379 1 1099 . 1 1 118 118 ALA HB1 H 1 0.589 0.003 . 1 . . . . . 126 ALA HB . 16379 1 1100 . 1 1 118 118 ALA HB2 H 1 0.589 0.003 . 1 . . . . . 126 ALA HB . 16379 1 1101 . 1 1 118 118 ALA HB3 H 1 0.589 0.003 . 1 . . . . . 126 ALA HB . 16379 1 1102 . 1 1 118 118 ALA C C 13 177.223 0.003 . 1 . . . . . 126 ALA C . 16379 1 1103 . 1 1 118 118 ALA CA C 13 54.01 0.003 . 1 . . . . . 126 ALA CA . 16379 1 1104 . 1 1 118 118 ALA CB C 13 18.77 0.003 . 1 . . . . . 126 ALA CB . 16379 1 1105 . 1 1 118 118 ALA N N 15 117.1 0.003 . 1 . . . . . 126 ALA N . 16379 1 1106 . 1 1 119 119 HIS H H 1 6.881 0.003 . 1 . . . . . 127 HIS H . 16379 1 1107 . 1 1 119 119 HIS HA H 1 4.871 0.003 . 1 . . . . . 127 HIS HA . 16379 1 1108 . 1 1 119 119 HIS HB2 H 1 2.821 0.003 . 2 . . . . . 127 HIS HB . 16379 1 1109 . 1 1 119 119 HIS HB3 H 1 2.821 0.003 . 2 . . . . . 127 HIS HB . 16379 1 1110 . 1 1 119 119 HIS CA C 13 54.65 0.003 . 1 . . . . . 127 HIS CA . 16379 1 1111 . 1 1 119 119 HIS N N 15 112.1 0.003 . 1 . . . . . 127 HIS N . 16379 1 1112 . 1 1 120 120 PRO HA H 1 4.837 0.003 . 1 . . . . . 128 PRO HA . 16379 1 1113 . 1 1 120 120 PRO HB2 H 1 1.906 0.003 . 2 . . . . . 128 PRO HB2 . 16379 1 1114 . 1 1 120 120 PRO HB3 H 1 2.179 0.003 . 2 . . . . . 128 PRO HB3 . 16379 1 1115 . 1 1 120 120 PRO C C 13 175.967 0.003 . 1 . . . . . 128 PRO C . 16379 1 1116 . 1 1 120 120 PRO CA C 13 65.57 0.003 . 1 . . . . . 128 PRO CA . 16379 1 1117 . 1 1 120 120 PRO CB C 13 32.14 0.003 . 1 . . . . . 128 PRO CB . 16379 1 1118 . 1 1 120 120 PRO CG C 13 27.61 0.003 . 1 . . . . . 128 PRO CG . 16379 1 1119 . 1 1 121 121 ASN H H 1 8.334 0.003 . 1 . . . . . 129 ASN H . 16379 1 1120 . 1 1 121 121 ASN HA H 1 4.465 0.003 . 1 . . . . . 129 ASN HA . 16379 1 1121 . 1 1 121 121 ASN HB2 H 1 2.796 0.003 . 2 . . . . . 129 ASN HB2 . 16379 1 1122 . 1 1 121 121 ASN HB3 H 1 2.642 0.003 . 2 . . . . . 129 ASN HB3 . 16379 1 1123 . 1 1 121 121 ASN C C 13 173.122 0.003 . 1 . . . . . 129 ASN C . 16379 1 1124 . 1 1 121 121 ASN CA C 13 53.96 0.003 . 1 . . . . . 129 ASN CA . 16379 1 1125 . 1 1 121 121 ASN CB C 13 38.08 0.003 . 1 . . . . . 129 ASN CB . 16379 1 1126 . 1 1 121 121 ASN N N 15 113.1 0.003 . 1 . . . . . 129 ASN N . 16379 1 1127 . 1 1 122 122 LEU H H 1 8.375 0.003 . 1 . . . . . 130 LEU H . 16379 1 1128 . 1 1 122 122 LEU HA H 1 4.651 0.003 . 1 . . . . . 130 LEU HA . 16379 1 1129 . 1 1 122 122 LEU HB2 H 1 1.459 0.003 . 2 . . . . . 130 LEU HB . 16379 1 1130 . 1 1 122 122 LEU HB3 H 1 1.459 0.003 . 2 . . . . . 130 LEU HB . 16379 1 1131 . 1 1 122 122 LEU HD11 H 1 0.559 0.003 . 2 . . . . . 130 LEU HD1 . 16379 1 1132 . 1 1 122 122 LEU HD12 H 1 0.559 0.003 . 2 . . . . . 130 LEU HD1 . 16379 1 1133 . 1 1 122 122 LEU HD13 H 1 0.559 0.003 . 2 . . . . . 130 LEU HD1 . 16379 1 1134 . 1 1 122 122 LEU HG H 1 0.777 0.003 . 1 . . . . . 130 LEU HG . 16379 1 1135 . 1 1 122 122 LEU C C 13 174.122 0.003 . 1 . . . . . 130 LEU C . 16379 1 1136 . 1 1 122 122 LEU CA C 13 54.06 0.003 . 1 . . . . . 130 LEU CA . 16379 1 1137 . 1 1 122 122 LEU CB C 13 45.77 0.003 . 1 . . . . . 130 LEU CB . 16379 1 1138 . 1 1 122 122 LEU CG C 13 26.79 0.003 . 1 . . . . . 130 LEU CG . 16379 1 1139 . 1 1 122 122 LEU N N 15 118.1 0.003 . 1 . . . . . 130 LEU N . 16379 1 1140 . 1 1 123 123 PHE H H 1 8.81 0.003 . 1 . . . . . 131 PHE H . 16379 1 1141 . 1 1 123 123 PHE HA H 1 5.548 0.003 . 1 . . . . . 131 PHE HA . 16379 1 1142 . 1 1 123 123 PHE HB2 H 1 2.813 0.003 . 1 . . . . . 131 PHE HB1 . 16379 1 1143 . 1 1 123 123 PHE HB3 H 1 3.716 0.003 . 2 . . . . . 131 PHE HB2 . 16379 1 1144 . 1 1 123 123 PHE C C 13 178.336 0.003 . 1 . . . . . 131 PHE C . 16379 1 1145 . 1 1 123 123 PHE CA C 13 56.54 0.003 . 1 . . . . . 131 PHE CA . 16379 1 1146 . 1 1 123 123 PHE CB C 13 42.49 0.003 . 1 . . . . . 131 PHE CB . 16379 1 1147 . 1 1 123 123 PHE N N 15 117.6 0.003 . 1 . . . . . 131 PHE N . 16379 1 1148 . 1 1 124 124 ILE H H 1 8.621 0.003 . 1 . . . . . 132 ILE H . 16379 1 1149 . 1 1 124 124 ILE HA H 1 3.973 0.003 . 1 . . . . . 132 ILE HA . 16379 1 1150 . 1 1 124 124 ILE HB H 1 1.5 0.003 . 1 . . . . . 132 ILE HB . 16379 1 1151 . 1 1 124 124 ILE HD11 H 1 0.3087 0.003 . 1 . . . . . 132 ILE HD . 16379 1 1152 . 1 1 124 124 ILE HD12 H 1 0.3087 0.003 . 1 . . . . . 132 ILE HD . 16379 1 1153 . 1 1 124 124 ILE HD13 H 1 0.3087 0.003 . 1 . . . . . 132 ILE HD . 16379 1 1154 . 1 1 124 124 ILE HG12 H 1 1.232 0.003 . 1 . . . . . 132 ILE HG11 . 16379 1 1155 . 1 1 124 124 ILE HG13 H 1 1.232 0.003 . 2 . . . . . 132 ILE HG12 . 16379 1 1156 . 1 1 124 124 ILE C C 13 176.178 0.003 . 1 . . . . . 132 ILE C . 16379 1 1157 . 1 1 124 124 ILE CA C 13 65.641 0.003 . 1 . . . . . 132 ILE CA . 16379 1 1158 . 1 1 124 124 ILE CB C 13 37.71 0.003 . 1 . . . . . 132 ILE CB . 16379 1 1159 . 1 1 124 124 ILE CG2 C 13 17.28 0.003 . 1 . . . . . 132 ILE CG2 . 16379 1 1160 . 1 1 124 124 ILE N N 15 119.4 0.003 . 1 . . . . . 132 ILE N . 16379 1 1161 . 1 1 125 125 ALA H H 1 8.926 0.003 . 1 . . . . . 133 ALA H . 16379 1 1162 . 1 1 125 125 ALA HA H 1 5.669 0.003 . 1 . . . . . 133 ALA HA . 16379 1 1163 . 1 1 125 125 ALA HB1 H 1 1.197 0.003 . 1 . . . . . 133 ALA HB . 16379 1 1164 . 1 1 125 125 ALA HB2 H 1 1.197 0.003 . 1 . . . . . 133 ALA HB . 16379 1 1165 . 1 1 125 125 ALA HB3 H 1 1.197 0.003 . 1 . . . . . 133 ALA HB . 16379 1 1166 . 1 1 125 125 ALA C C 13 177.101 0.003 . 1 . . . . . 133 ALA C . 16379 1 1167 . 1 1 125 125 ALA CA C 13 51.77 0.003 . 1 . . . . . 133 ALA CA . 16379 1 1168 . 1 1 125 125 ALA CB C 13 26.35 0.003 . 1 . . . . . 133 ALA CB . 16379 1 1169 . 1 1 125 125 ALA N N 15 127.1 0.003 . 1 . . . . . 133 ALA N . 16379 1 1170 . 1 1 126 126 THR H H 1 8.937 0.003 . 1 . . . . . 134 THR H . 16379 1 1171 . 1 1 126 126 THR HA H 1 4.827 0.003 . 1 . . . . . 134 THR HA . 16379 1 1172 . 1 1 126 126 THR HB H 1 4.153 0.003 . 1 . . . . . 134 THR HB . 16379 1 1173 . 1 1 126 126 THR C C 13 173.536 0.003 . 1 . . . . . 134 THR C . 16379 1 1174 . 1 1 126 126 THR CA C 13 59.93 0.003 . 1 . . . . . 134 THR CA . 16379 1 1175 . 1 1 126 126 THR CB C 13 70.55 0.003 . 1 . . . . . 134 THR CB . 16379 1 1176 . 1 1 126 126 THR N N 15 109.2 0.003 . 1 . . . . . 134 THR N . 16379 1 1177 . 1 1 127 127 LYS H H 1 8.152 0.003 . 1 . . . . . 135 LYS H . 16379 1 1178 . 1 1 127 127 LYS HA H 1 4.374 0.003 . 1 . . . . . 135 LYS HA . 16379 1 1179 . 1 1 127 127 LYS HB2 H 1 1.577 0.003 . 2 . . . . . 135 LYS HB . 16379 1 1180 . 1 1 127 127 LYS HB3 H 1 1.577 0.003 . 2 . . . . . 135 LYS HB . 16379 1 1181 . 1 1 127 127 LYS HD2 H 1 1.825 0.003 . 2 . . . . . 135 LYS HD . 16379 1 1182 . 1 1 127 127 LYS HD3 H 1 1.825 0.003 . 2 . . . . . 135 LYS HD . 16379 1 1183 . 1 1 127 127 LYS HE2 H 1 2.645 0.003 . 2 . . . . . 135 LYS HE . 16379 1 1184 . 1 1 127 127 LYS HE3 H 1 2.645 0.003 . 2 . . . . . 135 LYS HE . 16379 1 1185 . 1 1 127 127 LYS HG2 H 1 1.203 0.003 . 2 . . . . . 135 LYS HG . 16379 1 1186 . 1 1 127 127 LYS HG3 H 1 1.203 0.003 . 2 . . . . . 135 LYS HG . 16379 1 1187 . 1 1 127 127 LYS C C 13 175.545 0.003 . 1 . . . . . 135 LYS C . 16379 1 1188 . 1 1 127 127 LYS CA C 13 56.29 0.003 . 1 . . . . . 135 LYS CA . 16379 1 1189 . 1 1 127 127 LYS CB C 13 36.97 0.003 . 1 . . . . . 135 LYS CB . 16379 1 1190 . 1 1 127 127 LYS CD C 13 30.17 0.003 . 1 . . . . . 135 LYS CD . 16379 1 1191 . 1 1 127 127 LYS CG C 13 25.83 0.003 . 1 . . . . . 135 LYS CG . 16379 1 1192 . 1 1 127 127 LYS N N 15 117.5 0.003 . 1 . . . . . 135 LYS N . 16379 1 1193 . 1 1 128 128 GLN H H 1 8.187 0.003 . 1 . . . . . 136 GLN H . 16379 1 1194 . 1 1 128 128 GLN HA H 1 3.905 0.003 . 1 . . . . . 136 GLN HA . 16379 1 1195 . 1 1 128 128 GLN HB2 H 1 1.81 0.003 . 2 . . . . . 136 GLN HB . 16379 1 1196 . 1 1 128 128 GLN HB3 H 1 1.81 0.003 . 2 . . . . . 136 GLN HB . 16379 1 1197 . 1 1 128 128 GLN HG2 H 1 2.173 0.003 . 2 . . . . . 136 GLN HG . 16379 1 1198 . 1 1 128 128 GLN HG3 H 1 2.173 0.003 . 2 . . . . . 136 GLN HG . 16379 1 1199 . 1 1 128 128 GLN C C 13 175.871 0.003 . 1 . . . . . 136 GLN C . 16379 1 1200 . 1 1 128 128 GLN CA C 13 57.95 0.003 . 1 . . . . . 136 GLN CA . 16379 1 1201 . 1 1 128 128 GLN CB C 13 29.01 0.003 . 1 . . . . . 136 GLN CB . 16379 1 1202 . 1 1 128 128 GLN CG C 13 34.01 0.003 . 1 . . . . . 136 GLN CG . 16379 1 1203 . 1 1 128 128 GLN N N 15 122.7 0.003 . 1 . . . . . 136 GLN N . 16379 1 1204 . 1 1 129 129 ASP H H 1 9.043 0.003 . 1 . . . . . 137 ASP H . 16379 1 1205 . 1 1 129 129 ASP HA H 1 4.235 0.003 . 1 . . . . . 137 ASP HA . 16379 1 1206 . 1 1 129 129 ASP HB2 H 1 2.598 0.003 . 2 . . . . . 137 ASP HB2 . 16379 1 1207 . 1 1 129 129 ASP HB3 H 1 2.731 0.003 . 2 . . . . . 137 ASP HB3 . 16379 1 1208 . 1 1 129 129 ASP C C 13 174.314 0.003 . 1 . . . . . 137 ASP C . 16379 1 1209 . 1 1 129 129 ASP CA C 13 55.92 0.003 . 1 . . . . . 137 ASP CA . 16379 1 1210 . 1 1 129 129 ASP CB C 13 40.07 0.003 . 1 . . . . . 137 ASP CB . 16379 1 1211 . 1 1 129 129 ASP N N 15 120.2 0.003 . 1 . . . . . 137 ASP N . 16379 1 1212 . 1 1 130 130 TYR H H 1 7.695 0.003 . 1 . . . . . 138 TYR H . 16379 1 1213 . 1 1 130 130 TYR CA C 13 57.35 0.003 . 1 . . . . . 138 TYR CA . 16379 1 1214 . 1 1 130 130 TYR CB C 13 42.67 0.003 . 1 . . . . . 138 TYR CB . 16379 1 1215 . 1 1 130 130 TYR N N 15 117.0 0.003 . 1 . . . . . 138 TYR N . 16379 1 1216 . 1 1 134 134 LEU HA H 1 5.557 0.003 . 1 . . . . . 142 LEU HA . 16379 1 1217 . 1 1 134 134 LEU HB2 H 1 1.638 0.003 . 2 . . . . . 142 LEU HB . 16379 1 1218 . 1 1 134 134 LEU HB3 H 1 1.638 0.003 . 2 . . . . . 142 LEU HB . 16379 1 1219 . 1 1 134 134 LEU HD11 H 1 0.751 0.003 . 1 . . . . . 142 LEU HD . 16379 1 1220 . 1 1 134 134 LEU HD12 H 1 0.751 0.003 . 1 . . . . . 142 LEU HD . 16379 1 1221 . 1 1 134 134 LEU HD13 H 1 0.751 0.003 . 1 . . . . . 142 LEU HD . 16379 1 1222 . 1 1 134 134 LEU HD21 H 1 0.751 0.003 . 1 . . . . . 142 LEU HD . 16379 1 1223 . 1 1 134 134 LEU HD22 H 1 0.751 0.003 . 1 . . . . . 142 LEU HD . 16379 1 1224 . 1 1 134 134 LEU HD23 H 1 0.751 0.003 . 1 . . . . . 142 LEU HD . 16379 1 1225 . 1 1 134 134 LEU HG H 1 1.255 0.003 . 1 . . . . . 142 LEU HG . 16379 1 1226 . 1 1 134 134 LEU C C 13 177.36 0.003 . 1 . . . . . 142 LEU C . 16379 1 1227 . 1 1 134 134 LEU CA C 13 53.95 0.003 . 1 . . . . . 142 LEU CA . 16379 1 1228 . 1 1 134 134 LEU CB C 13 44.34 0.003 . 1 . . . . . 142 LEU CB . 16379 1 1229 . 1 1 134 134 LEU CD1 C 13 26.87 0.003 . 1 . . . . . 142 LEU CD . 16379 1 1230 . 1 1 134 134 LEU CD2 C 13 26.87 0.003 . 1 . . . . . 142 LEU CD . 16379 1 1231 . 1 1 134 134 LEU CG C 13 24.55 0.003 . 1 . . . . . 142 LEU CG . 16379 1 1232 . 1 1 135 135 ALA H H 1 9.517 0.003 . 1 . . . . . 143 ALA H . 16379 1 1233 . 1 1 135 135 ALA HA H 1 4.912 0.003 . 1 . . . . . 143 ALA HA . 16379 1 1234 . 1 1 135 135 ALA HB1 H 1 1.411 0.003 . 1 . . . . . 143 ALA HB . 16379 1 1235 . 1 1 135 135 ALA HB2 H 1 1.411 0.003 . 1 . . . . . 143 ALA HB . 16379 1 1236 . 1 1 135 135 ALA HB3 H 1 1.411 0.003 . 1 . . . . . 143 ALA HB . 16379 1 1237 . 1 1 135 135 ALA C C 13 177.76 0.003 . 1 . . . . . 143 ALA C . 16379 1 1238 . 1 1 135 135 ALA CA C 13 51.8 0.003 . 1 . . . . . 143 ALA CA . 16379 1 1239 . 1 1 135 135 ALA CB C 13 24.98 0.003 . 1 . . . . . 143 ALA CB . 16379 1 1240 . 1 1 135 135 ALA N N 15 121.9 0.003 . 1 . . . . . 143 ALA N . 16379 1 1241 . 1 1 136 136 GLY H H 1 9.222 0.003 . 1 . . . . . 144 GLY H . 16379 1 1242 . 1 1 136 136 GLY HA2 H 1 3.827 0.003 . 1 . . . . . 144 GLY HA1 . 16379 1 1243 . 1 1 136 136 GLY HA3 H 1 4.552 0.003 . 2 . . . . . 144 GLY HA2 . 16379 1 1244 . 1 1 136 136 GLY C C 13 174.477 0.003 . 1 . . . . . 144 GLY C . 16379 1 1245 . 1 1 136 136 GLY CA C 13 46.27 0.003 . 1 . . . . . 144 GLY CA . 16379 1 1246 . 1 1 136 136 GLY N N 15 105.2 0.003 . 1 . . . . . 144 GLY N . 16379 1 1247 . 1 1 137 137 GLY H H 1 7.075 0.003 . 1 . . . . . 145 GLY H . 16379 1 1248 . 1 1 137 137 GLY HA2 H 1 3.553 0.003 . 1 . . . . . 145 GLY HA1 . 16379 1 1249 . 1 1 137 137 GLY HA3 H 1 4.308 0.003 . 2 . . . . . 145 GLY HA2 . 16379 1 1250 . 1 1 137 137 GLY CA C 13 45.64 0.003 . 1 . . . . . 145 GLY CA . 16379 1 1251 . 1 1 137 137 GLY N N 15 103.1 0.003 . 1 . . . . . 145 GLY N . 16379 1 1252 . 1 1 139 139 PRO HA H 1 4.337 0.003 . 1 . . . . . 147 PRO HA . 16379 1 1253 . 1 1 139 139 PRO HB2 H 1 1.832 0.003 . 1 . . . . . 147 PRO HB1 . 16379 1 1254 . 1 1 139 139 PRO HB3 H 1 2.153 0.003 . 2 . . . . . 147 PRO HB2 . 16379 1 1255 . 1 1 139 139 PRO HD2 H 1 3.118 0.003 . 2 . . . . . 147 PRO HD . 16379 1 1256 . 1 1 139 139 PRO HD3 H 1 3.118 0.003 . 2 . . . . . 147 PRO HD . 16379 1 1257 . 1 1 139 139 PRO HG2 H 1 1.562 0.003 . 2 . . . . . 147 PRO HG . 16379 1 1258 . 1 1 139 139 PRO HG3 H 1 1.562 0.003 . 2 . . . . . 147 PRO HG . 16379 1 1259 . 1 1 139 139 PRO C C 13 177.241 0.003 . 1 . . . . . 147 PRO C . 16379 1 1260 . 1 1 139 139 PRO CA C 13 64.27 0.003 . 1 . . . . . 147 PRO CA . 16379 1 1261 . 1 1 139 139 PRO CB C 13 34.39 0.003 . 1 . . . . . 147 PRO CB . 16379 1 1262 . 1 1 139 139 PRO CG C 13 25.25 0.003 . 1 . . . . . 147 PRO CG . 16379 1 1263 . 1 1 140 140 SER H H 1 7.919 0.003 . 1 . . . . . 148 SER H . 16379 1 1264 . 1 1 140 140 SER HA H 1 4.505 0.003 . 1 . . . . . 148 SER HA . 16379 1 1265 . 1 1 140 140 SER HB2 H 1 3.436 0.003 . 2 . . . . . 148 SER HB . 16379 1 1266 . 1 1 140 140 SER HB3 H 1 3.436 0.003 . 2 . . . . . 148 SER HB . 16379 1 1267 . 1 1 140 140 SER C C 13 171.747 0.003 . 1 . . . . . 148 SER C . 16379 1 1268 . 1 1 140 140 SER CA C 13 61.33 0.003 . 1 . . . . . 148 SER CA . 16379 1 1269 . 1 1 140 140 SER CB C 13 63.49 0.003 . 1 . . . . . 148 SER CB . 16379 1 1270 . 1 1 140 140 SER N N 15 121.9 0.003 . 1 . . . . . 148 SER N . 16379 1 1271 . 1 1 141 141 ILE H H 1 9.033 0.003 . 1 . . . . . 149 ILE H . 16379 1 1272 . 1 1 141 141 ILE HA H 1 3.973 0.003 . 1 . . . . . 149 ILE HA . 16379 1 1273 . 1 1 141 141 ILE HB H 1 2.38 0.003 . 1 . . . . . 149 ILE HB . 16379 1 1274 . 1 1 141 141 ILE HG12 H 1 1.155 0.003 . 2 . . . . . 149 ILE HG1 . 16379 1 1275 . 1 1 141 141 ILE HG13 H 1 1.155 0.003 . 2 . . . . . 149 ILE HG1 . 16379 1 1276 . 1 1 141 141 ILE HG21 H 1 0.7158 0.003 . 1 . . . . . 149 ILE HG2 . 16379 1 1277 . 1 1 141 141 ILE HG22 H 1 0.7158 0.003 . 1 . . . . . 149 ILE HG2 . 16379 1 1278 . 1 1 141 141 ILE HG23 H 1 0.7158 0.003 . 1 . . . . . 149 ILE HG2 . 16379 1 1279 . 1 1 141 141 ILE C C 13 175.824 0.003 . 1 . . . . . 149 ILE C . 16379 1 1280 . 1 1 141 141 ILE CA C 13 60.75 0.003 . 1 . . . . . 149 ILE CA . 16379 1 1281 . 1 1 141 141 ILE CB C 13 35.96 0.003 . 1 . . . . . 149 ILE CB . 16379 1 1282 . 1 1 141 141 ILE CG1 C 13 27.45 0.003 . 1 . . . . . 149 ILE CG1 . 16379 1 1283 . 1 1 141 141 ILE CG2 C 13 20.3 0.003 . 1 . . . . . 149 ILE CG2 . 16379 1 1284 . 1 1 141 141 ILE N N 15 123.7 0.003 . 1 . . . . . 149 ILE N . 16379 1 1285 . 1 1 142 142 THR H H 1 7.692 0.003 . 1 . . . . . 150 THR H . 16379 1 1286 . 1 1 142 142 THR HA H 1 4.83 0.003 . 1 . . . . . 150 THR HA . 16379 1 1287 . 1 1 142 142 THR HB H 1 4.301 0.003 . 1 . . . . . 150 THR HB . 16379 1 1288 . 1 1 142 142 THR C C 13 171.579 0.003 . 1 . . . . . 150 THR C . 16379 1 1289 . 1 1 142 142 THR CA C 13 61.0 0.003 . 1 . . . . . 150 THR CA . 16379 1 1290 . 1 1 142 142 THR CB C 13 70.64 0.003 . 1 . . . . . 150 THR CB . 16379 1 1291 . 1 1 142 142 THR N N 15 110.6 0.003 . 1 . . . . . 150 THR N . 16379 1 1292 . 1 1 143 143 ASP H H 1 7.608 0.003 . 1 . . . . . 151 ASP H . 16379 1 1293 . 1 1 143 143 ASP HA H 1 4.593 0.003 . 1 . . . . . 151 ASP HA . 16379 1 1294 . 1 1 143 143 ASP HB2 H 1 1.796 0.003 . 2 . . . . . 151 ASP HB2 . 16379 1 1295 . 1 1 143 143 ASP HB3 H 1 2.072 0.003 . 2 . . . . . 151 ASP HB3 . 16379 1 1296 . 1 1 143 143 ASP C C 13 174.718 0.003 . 1 . . . . . 151 ASP C . 16379 1 1297 . 1 1 143 143 ASP CA C 13 52.3 0.003 . 1 . . . . . 151 ASP CA . 16379 1 1298 . 1 1 143 143 ASP CB C 13 43.51 0.003 . 1 . . . . . 151 ASP CB . 16379 1 1299 . 1 1 143 143 ASP N N 15 114.5 0.003 . 1 . . . . . 151 ASP N . 16379 1 1300 . 1 1 144 144 PHE H H 1 8.769 0.003 . 1 . . . . . 152 PHE H . 16379 1 1301 . 1 1 144 144 PHE HA H 1 5.055 0.003 . 1 . . . . . 152 PHE HA . 16379 1 1302 . 1 1 144 144 PHE HB2 H 1 2.447 0.003 . 2 . . . . . 152 PHE HB2 . 16379 1 1303 . 1 1 144 144 PHE HB3 H 1 2.905 0.003 . 2 . . . . . 152 PHE HB3 . 16379 1 1304 . 1 1 144 144 PHE C C 13 176.688 0.003 . 1 . . . . . 152 PHE C . 16379 1 1305 . 1 1 144 144 PHE CA C 13 57.52 0.003 . 1 . . . . . 152 PHE CA . 16379 1 1306 . 1 1 144 144 PHE CB C 13 44.67 0.003 . 1 . . . . . 152 PHE CB . 16379 1 1307 . 1 1 144 144 PHE N N 15 115.3 0.003 . 1 . . . . . 152 PHE N . 16379 1 1308 . 1 1 145 145 GLN H H 1 10.08 0.003 . 1 . . . . . 153 GLN H . 16379 1 1309 . 1 1 145 145 GLN HA H 1 4.518 0.003 . 1 . . . . . 153 GLN HA . 16379 1 1310 . 1 1 145 145 GLN HB2 H 1 1.778 0.003 . 2 . . . . . 153 GLN HB2 . 16379 1 1311 . 1 1 145 145 GLN HB3 H 1 2.155 0.003 . 2 . . . . . 153 GLN HB3 . 16379 1 1312 . 1 1 145 145 GLN HG2 H 1 2.294 0.003 . 2 . . . . . 153 GLN HG2 . 16379 1 1313 . 1 1 145 145 GLN C C 13 174.604 0.003 . 1 . . . . . 153 GLN C . 16379 1 1314 . 1 1 145 145 GLN CA C 13 55.24 0.003 . 1 . . . . . 153 GLN CA . 16379 1 1315 . 1 1 145 145 GLN CB C 13 32.4 0.003 . 1 . . . . . 153 GLN CB . 16379 1 1316 . 1 1 145 145 GLN CG C 13 34.83 0.003 . 1 . . . . . 153 GLN CG . 16379 1 1317 . 1 1 145 145 GLN N N 15 121.2 0.003 . 1 . . . . . 153 GLN N . 16379 1 1318 . 1 1 146 146 ILE H H 1 8.195 0.003 . 1 . . . . . 154 ILE H . 16379 1 1319 . 1 1 146 146 ILE HA H 1 4.554 0.003 . 1 . . . . . 154 ILE HA . 16379 1 1320 . 1 1 146 146 ILE HB H 1 1.524 0.003 . 1 . . . . . 154 ILE HB . 16379 1 1321 . 1 1 146 146 ILE HG12 H 1 0.3265 0.003 . 1 . . . . . 154 ILE HG11 . 16379 1 1322 . 1 1 146 146 ILE HG13 H 1 0.3265 0.003 . 2 . . . . . 154 ILE HG12 . 16379 1 1323 . 1 1 146 146 ILE HG21 H 1 0.232 0.003 . 1 . . . . . 154 ILE HG2 . 16379 1 1324 . 1 1 146 146 ILE HG22 H 1 0.232 0.003 . 1 . . . . . 154 ILE HG2 . 16379 1 1325 . 1 1 146 146 ILE HG23 H 1 0.232 0.003 . 1 . . . . . 154 ILE HG2 . 16379 1 1326 . 1 1 146 146 ILE C C 13 175.521 0.003 . 1 . . . . . 154 ILE C . 16379 1 1327 . 1 1 146 146 ILE CA C 13 61.67 0.003 . 1 . . . . . 154 ILE CA . 16379 1 1328 . 1 1 146 146 ILE CB C 13 39.64 0.003 . 1 . . . . . 154 ILE CB . 16379 1 1329 . 1 1 146 146 ILE CG2 C 13 17.5 0.003 . 1 . . . . . 154 ILE CG2 . 16379 1 1330 . 1 1 146 146 ILE N N 15 121.5 0.003 . 1 . . . . . 154 ILE N . 16379 1 1331 . 1 1 147 147 LEU H H 1 9.238 0.003 . 1 . . . . . 155 LEU H . 16379 1 1332 . 1 1 147 147 LEU HA H 1 4.692 0.003 . 1 . . . . . 155 LEU HA . 16379 1 1333 . 1 1 147 147 LEU HB2 H 1 1.477 0.003 . 2 . . . . . 155 LEU HB . 16379 1 1334 . 1 1 147 147 LEU HB3 H 1 1.477 0.003 . 2 . . . . . 155 LEU HB . 16379 1 1335 . 1 1 147 147 LEU HG H 1 0.7069 0.003 . 1 . . . . . 155 LEU HG . 16379 1 1336 . 1 1 147 147 LEU C C 13 176.063 0.003 . 1 . . . . . 155 LEU C . 16379 1 1337 . 1 1 147 147 LEU CA C 13 55.11 0.003 . 1 . . . . . 155 LEU CA . 16379 1 1338 . 1 1 147 147 LEU CB C 13 42.8 0.003 . 1 . . . . . 155 LEU CB . 16379 1 1339 . 1 1 147 147 LEU CD1 C 13 28.69 0.003 . 1 . . . . . 155 LEU CD . 16379 1 1340 . 1 1 147 147 LEU CD2 C 13 28.69 0.003 . 1 . . . . . 155 LEU CD . 16379 1 1341 . 1 1 147 147 LEU CG C 13 25.39 0.003 . 1 . . . . . 155 LEU CG . 16379 1 1342 . 1 1 147 147 LEU N N 15 131.0 0.003 . 1 . . . . . 155 LEU N . 16379 1 1343 . 1 1 148 148 GLU H H 1 8.598 0.003 . 1 . . . . . 156 GLU H . 16379 1 1344 . 1 1 148 148 GLU HA H 1 4.453 0.003 . 1 . . . . . 156 GLU HA . 16379 1 1345 . 1 1 148 148 GLU HB2 H 1 1.834 0.003 . 2 . . . . . 156 GLU HB2 . 16379 1 1346 . 1 1 148 148 GLU HB3 H 1 2.052 0.003 . 2 . . . . . 156 GLU HB3 . 16379 1 1347 . 1 1 148 148 GLU HG2 H 1 2.167 0.003 . 2 . . . . . 156 GLU HG . 16379 1 1348 . 1 1 148 148 GLU HG3 H 1 2.167 0.003 . 2 . . . . . 156 GLU HG . 16379 1 1349 . 1 1 148 148 GLU C C 13 176.203 0.003 . 1 . . . . . 156 GLU C . 16379 1 1350 . 1 1 148 148 GLU CA C 13 56.21 0.003 . 1 . . . . . 156 GLU CA . 16379 1 1351 . 1 1 148 148 GLU CB C 13 31.87 0.003 . 1 . . . . . 156 GLU CB . 16379 1 1352 . 1 1 148 148 GLU CG C 13 37.47 0.003 . 1 . . . . . 156 GLU CG . 16379 1 1353 . 1 1 148 148 GLU N N 15 122.1 0.003 . 1 . . . . . 156 GLU N . 16379 1 1354 . 1 1 149 149 ASN H H 1 9.105 0.003 . 1 . . . . . 157 ASN H . 16379 1 1355 . 1 1 149 149 ASN HA H 1 4.506 0.003 . 1 . . . . . 157 ASN HA . 16379 1 1356 . 1 1 149 149 ASN HB2 H 1 2.826 0.003 . 2 . . . . . 157 ASN HB . 16379 1 1357 . 1 1 149 149 ASN HB3 H 1 2.826 0.003 . 2 . . . . . 157 ASN HB . 16379 1 1358 . 1 1 149 149 ASN C C 13 176.071 0.003 . 1 . . . . . 157 ASN C . 16379 1 1359 . 1 1 149 149 ASN CA C 13 54.66 0.003 . 1 . . . . . 157 ASN CA . 16379 1 1360 . 1 1 149 149 ASN CB C 13 39.2 0.003 . 1 . . . . . 157 ASN CB . 16379 1 1361 . 1 1 149 149 ASN N N 15 118.9 0.003 . 1 . . . . . 157 ASN N . 16379 1 1362 . 1 1 150 150 GLN H H 1 8.535 0.003 . 1 . . . . . 158 GLN H . 16379 1 1363 . 1 1 150 150 GLN HA H 1 4.138 0.003 . 1 . . . . . 158 GLN HA . 16379 1 1364 . 1 1 150 150 GLN HB2 H 1 1.875 0.003 . 2 . . . . . 158 GLN HB2 . 16379 1 1365 . 1 1 150 150 GLN HB3 H 1 2.061 0.003 . 2 . . . . . 158 GLN HB3 . 16379 1 1366 . 1 1 150 150 GLN HG2 H 1 2.229 0.003 . 2 . . . . . 158 GLN HG . 16379 1 1367 . 1 1 150 150 GLN HG3 H 1 2.229 0.003 . 2 . . . . . 158 GLN HG . 16379 1 1368 . 1 1 150 150 GLN C C 13 175.659 0.003 . 1 . . . . . 158 GLN C . 16379 1 1369 . 1 1 150 150 GLN CA C 13 56.81 0.003 . 1 . . . . . 158 GLN CA . 16379 1 1370 . 1 1 150 150 GLN CB C 13 29.32 0.003 . 1 . . . . . 158 GLN CB . 16379 1 1371 . 1 1 150 150 GLN CG C 13 34.26 0.003 . 1 . . . . . 158 GLN CG . 16379 1 1372 . 1 1 150 150 GLN N N 15 120.0 0.003 . 1 . . . . . 158 GLN N . 16379 1 1373 . 1 1 151 151 ALA H H 1 8.059 0.003 . 1 . . . . . 159 ALA H . 16379 1 1374 . 1 1 151 151 ALA HA H 1 4.158 0.003 . 1 . . . . . 159 ALA HA . 16379 1 1375 . 1 1 151 151 ALA HB1 H 1 1.282 0.003 . 1 . . . . . 159 ALA HB . 16379 1 1376 . 1 1 151 151 ALA HB2 H 1 1.282 0.003 . 1 . . . . . 159 ALA HB . 16379 1 1377 . 1 1 151 151 ALA HB3 H 1 1.282 0.003 . 1 . . . . . 159 ALA HB . 16379 1 1378 . 1 1 151 151 ALA C C 13 177.42 0.003 . 1 . . . . . 159 ALA C . 16379 1 1379 . 1 1 151 151 ALA CA C 13 53.11 0.003 . 1 . . . . . 159 ALA CA . 16379 1 1380 . 1 1 151 151 ALA CB C 13 19.41 0.003 . 1 . . . . . 159 ALA CB . 16379 1 1381 . 1 1 151 151 ALA N N 15 122.7 0.003 . 1 . . . . . 159 ALA N . 16379 1 stop_ save_