data_25263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25263 _Entry.Title ; NMR assignments of the CUS-3 phage coat protein insertion domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-02 _Entry.Accession_date 2014-10-02 _Entry.Last_release_date 2015-08-07 _Entry.Original_release_date 2015-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Therese Tripler . N. . . 25263 2 Mark Maciejewski . W. . . 25263 3 Carolyn Teschke . M. . . 25263 4 Andrei Alexandrescu . T. . . 25263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 25263 '15N chemical shifts' 119 25263 '1H chemical shifts' 742 25263 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 . . 2016-09-13 2014-10-02 update BMRB 'update entry citation' 25263 1 . . 2015-08-07 2014-10-02 original author 'original release' 25263 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25694158 _Citation.Full_citation . _Citation.Title ; NMR assignments for the insertion domain of bacteriophage CUS-3 coat protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 333 _Citation.Page_last 336 _Citation.Year 2015 _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 Therese Tripler . N. . . 25263 1 2 Mark Maciejewski . W. . . 25263 1 3 Carolyn Teschke . M. . . 25263 1 4 Andrei Alexandrescu . T. . . 25263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25263 _Assembly.ID 1 _Assembly.Name CUS-3id _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'CUS-3id, chain 1' 1 $entity A . yes native no no . . . 25263 1 2 'CUS-3id, chain 2' 1 $entity B . yes native no no . . . 25263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CUS-3id _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASGSTESLTVSGQPEHKVE AKDSNGMPVDNRQGTITVSA SGLQVGDAFTIAGVNSVHQI TKDTTGQPQVFRVLAVSGTT VTISPKILPVENTDVASRPY ANVDAKPAESAAITILNKLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'fragment begins residue 220 to 337, does not include cloning artifacts: N-term: MAS; Cterm: LEHHHHHH' _Entity.Polymer_author_seq_details 'contains C-terminal 6x his-tag; additional residues: at N-terminus: MAS from vector design and C-terminus: LE' _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25263 1 2 . ALA . 25263 1 3 . SER . 25263 1 4 1 GLY . 25263 1 5 2 SER . 25263 1 6 3 THR . 25263 1 7 4 GLU . 25263 1 8 5 SER . 25263 1 9 6 LEU . 25263 1 10 7 THR . 25263 1 11 8 VAL . 25263 1 12 9 SER . 25263 1 13 10 GLY . 25263 1 14 11 GLN . 25263 1 15 12 PRO . 25263 1 16 13 GLU . 25263 1 17 14 HIS . 25263 1 18 15 LYS . 25263 1 19 16 VAL . 25263 1 20 17 GLU . 25263 1 21 18 ALA . 25263 1 22 19 LYS . 25263 1 23 20 ASP . 25263 1 24 21 SER . 25263 1 25 22 ASN . 25263 1 26 23 GLY . 25263 1 27 24 MET . 25263 1 28 25 PRO . 25263 1 29 26 VAL . 25263 1 30 27 ASP . 25263 1 31 28 ASN . 25263 1 32 29 ARG . 25263 1 33 30 GLN . 25263 1 34 31 GLY . 25263 1 35 32 THR . 25263 1 36 33 ILE . 25263 1 37 34 THR . 25263 1 38 35 VAL . 25263 1 39 36 SER . 25263 1 40 37 ALA . 25263 1 41 38 SER . 25263 1 42 39 GLY . 25263 1 43 40 LEU . 25263 1 44 41 GLN . 25263 1 45 42 VAL . 25263 1 46 43 GLY . 25263 1 47 44 ASP . 25263 1 48 45 ALA . 25263 1 49 46 PHE . 25263 1 50 47 THR . 25263 1 51 48 ILE . 25263 1 52 49 ALA . 25263 1 53 50 GLY . 25263 1 54 51 VAL . 25263 1 55 52 ASN . 25263 1 56 53 SER . 25263 1 57 54 VAL . 25263 1 58 55 HIS . 25263 1 59 56 GLN . 25263 1 60 57 ILE . 25263 1 61 58 THR . 25263 1 62 59 LYS . 25263 1 63 60 ASP . 25263 1 64 61 THR . 25263 1 65 62 THR . 25263 1 66 63 GLY . 25263 1 67 64 GLN . 25263 1 68 65 PRO . 25263 1 69 66 GLN . 25263 1 70 67 VAL . 25263 1 71 68 PHE . 25263 1 72 69 ARG . 25263 1 73 70 VAL . 25263 1 74 71 LEU . 25263 1 75 72 ALA . 25263 1 76 73 VAL . 25263 1 77 74 SER . 25263 1 78 75 GLY . 25263 1 79 76 THR . 25263 1 80 77 THR . 25263 1 81 78 VAL . 25263 1 82 79 THR . 25263 1 83 80 ILE . 25263 1 84 81 SER . 25263 1 85 82 PRO . 25263 1 86 83 LYS . 25263 1 87 84 ILE . 25263 1 88 85 LEU . 25263 1 89 86 PRO . 25263 1 90 87 VAL . 25263 1 91 88 GLU . 25263 1 92 89 ASN . 25263 1 93 90 THR . 25263 1 94 91 ASP . 25263 1 95 92 VAL . 25263 1 96 93 ALA . 25263 1 97 94 SER . 25263 1 98 95 ARG . 25263 1 99 96 PRO . 25263 1 100 97 TYR . 25263 1 101 98 ALA . 25263 1 102 99 ASN . 25263 1 103 100 VAL . 25263 1 104 101 ASP . 25263 1 105 102 ALA . 25263 1 106 103 LYS . 25263 1 107 104 PRO . 25263 1 108 105 ALA . 25263 1 109 106 GLU . 25263 1 110 107 SER . 25263 1 111 108 ALA . 25263 1 112 109 ALA . 25263 1 113 110 ILE . 25263 1 114 111 THR . 25263 1 115 112 ILE . 25263 1 116 113 LEU . 25263 1 117 114 ASN . 25263 1 118 115 LYS . 25263 1 119 . LEU . 25263 1 120 . GLU . 25263 1 121 . HIS . 25263 1 122 . HIS . 25263 1 123 . HIS . 25263 1 124 . HIS . 25263 1 125 . HIS . 25263 1 126 . HIS . 25263 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25263 1 . ALA 2 2 25263 1 . SER 3 3 25263 1 . GLY 4 4 25263 1 . SER 5 5 25263 1 . THR 6 6 25263 1 . GLU 7 7 25263 1 . SER 8 8 25263 1 . LEU 9 9 25263 1 . THR 10 10 25263 1 . VAL 11 11 25263 1 . SER 12 12 25263 1 . GLY 13 13 25263 1 . GLN 14 14 25263 1 . PRO 15 15 25263 1 . GLU 16 16 25263 1 . HIS 17 17 25263 1 . LYS 18 18 25263 1 . VAL 19 19 25263 1 . GLU 20 20 25263 1 . ALA 21 21 25263 1 . LYS 22 22 25263 1 . ASP 23 23 25263 1 . SER 24 24 25263 1 . ASN 25 25 25263 1 . GLY 26 26 25263 1 . MET 27 27 25263 1 . PRO 28 28 25263 1 . VAL 29 29 25263 1 . ASP 30 30 25263 1 . ASN 31 31 25263 1 . ARG 32 32 25263 1 . GLN 33 33 25263 1 . GLY 34 34 25263 1 . THR 35 35 25263 1 . ILE 36 36 25263 1 . THR 37 37 25263 1 . VAL 38 38 25263 1 . SER 39 39 25263 1 . ALA 40 40 25263 1 . SER 41 41 25263 1 . GLY 42 42 25263 1 . LEU 43 43 25263 1 . GLN 44 44 25263 1 . VAL 45 45 25263 1 . GLY 46 46 25263 1 . ASP 47 47 25263 1 . ALA 48 48 25263 1 . PHE 49 49 25263 1 . THR 50 50 25263 1 . ILE 51 51 25263 1 . ALA 52 52 25263 1 . GLY 53 53 25263 1 . VAL 54 54 25263 1 . ASN 55 55 25263 1 . SER 56 56 25263 1 . VAL 57 57 25263 1 . HIS 58 58 25263 1 . GLN 59 59 25263 1 . ILE 60 60 25263 1 . THR 61 61 25263 1 . LYS 62 62 25263 1 . ASP 63 63 25263 1 . THR 64 64 25263 1 . THR 65 65 25263 1 . GLY 66 66 25263 1 . GLN 67 67 25263 1 . PRO 68 68 25263 1 . GLN 69 69 25263 1 . VAL 70 70 25263 1 . PHE 71 71 25263 1 . ARG 72 72 25263 1 . VAL 73 73 25263 1 . LEU 74 74 25263 1 . ALA 75 75 25263 1 . VAL 76 76 25263 1 . SER 77 77 25263 1 . GLY 78 78 25263 1 . THR 79 79 25263 1 . THR 80 80 25263 1 . VAL 81 81 25263 1 . THR 82 82 25263 1 . ILE 83 83 25263 1 . SER 84 84 25263 1 . PRO 85 85 25263 1 . LYS 86 86 25263 1 . ILE 87 87 25263 1 . LEU 88 88 25263 1 . PRO 89 89 25263 1 . VAL 90 90 25263 1 . GLU 91 91 25263 1 . ASN 92 92 25263 1 . THR 93 93 25263 1 . ASP 94 94 25263 1 . VAL 95 95 25263 1 . ALA 96 96 25263 1 . SER 97 97 25263 1 . ARG 98 98 25263 1 . PRO 99 99 25263 1 . TYR 100 100 25263 1 . ALA 101 101 25263 1 . ASN 102 102 25263 1 . VAL 103 103 25263 1 . ASP 104 104 25263 1 . ALA 105 105 25263 1 . LYS 106 106 25263 1 . PRO 107 107 25263 1 . ALA 108 108 25263 1 . GLU 109 109 25263 1 . SER 110 110 25263 1 . ALA 111 111 25263 1 . ALA 112 112 25263 1 . ILE 113 113 25263 1 . THR 114 114 25263 1 . ILE 115 115 25263 1 . LEU 116 116 25263 1 . ASN 117 117 25263 1 . LYS 118 118 25263 1 . LEU 119 119 25263 1 . GLU 120 120 25263 1 . HIS 121 121 25263 1 . HIS 122 122 25263 1 . HIS 123 123 25263 1 . HIS 124 124 25263 1 . HIS 125 125 25263 1 . HIS 126 126 25263 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 25263 _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 . 38018 virus . 'CUS-3 Bacteriophage' Viruses . . Viruses . CUS-3 Bacteriophage . . . . . . . . . . . . . 25263 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 25263 _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 . . . . . . pET-21a . . . 25263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'insertion domain' '[U-100% 15N]' . . 1 $entity . . 1.9 . . mM . . . . 25263 1 2 'insertion domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.9 . . mM . . . . 25263 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25263 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25263 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25263 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'insertion domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.9 . . mM . . . . 25263 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25263 2 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 25263 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25263 1 pH 6 . pH 25263 1 pressure 1 . atm 25263 1 temperature 273 . K 25263 1 stop_ save_ ############################ # Computer software used # ############################ save_Ccpnmr_analysis _Software.Sf_category software _Software.Sf_framecode Ccpnmr_analysis _Software.Entry_ID 25263 _Software.ID 1 _Software.Name Ccpnmr_analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25263 1 'peak picking' 25263 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25263 _Software.ID 2 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25263 2 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 25263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25263 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25263 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 25263 1 2 spectrometer_2 Varian INOVA . 600 . . . 25263 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 25263 _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 . . . . . . . . . . . . . . . . 25263 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25263 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25263 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25263 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25263 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25263 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25263 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25263 1 9 '2D 1H-C13 HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25263 1 10 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25263 1 11 '2D TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25263 1 12 '2D NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25263 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25263 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 25263 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 25263 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25263 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25263 1 2 '3D HNCACB' . . . 25263 1 3 '3D HN(CO)CA' . . . 25263 1 4 '3D HBHA(CO)NH' . . . 25263 1 5 '3D HNCO' . . . 25263 1 6 '3D HNCACO' . . . 25263 1 7 '3D HCCH-TOCSY' . . . 25263 1 8 '3D CCH-TOCSY' . . . 25263 1 9 '2D 1H-C13 HSQC' . . . 25263 1 10 '2D DQF-COSY' . . . 25263 1 11 '2D TOCSY' . . . 25263 1 12 '2D NOESY' . . . 25263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLY H H 1 8.581 0.008 . 1 . . . . 1 Gly H . 25263 1 2 . 1 1 4 4 GLY HA2 H 1 4.032 0.008 . 2 . . . . 1 Gly HA2 . 25263 1 3 . 1 1 4 4 GLY HA3 H 1 3.897 0.008 . 2 . . . . 1 Gly HA3 . 25263 1 4 . 1 1 4 4 GLY C C 13 172.149 0.16 . 1 . . . . 1 Gly C . 25263 1 5 . 1 1 4 4 GLY CA C 13 44.936 0.16 . 1 . . . . 1 Gly CA . 25263 1 6 . 1 1 4 4 GLY N N 15 110.848 0.055 . 1 . . . . 1 Gly N . 25263 1 7 . 1 1 5 5 SER H H 1 8.289 0.008 . 1 . . . . 2 Ser H . 25263 1 8 . 1 1 5 5 SER HA H 1 4.629 0.008 . 1 . . . . 2 Ser HA . 25263 1 9 . 1 1 5 5 SER HB2 H 1 3.950 0.008 . 2 . . . . 2 Ser HB2 . 25263 1 10 . 1 1 5 5 SER HB3 H 1 3.952 0.008 . 2 . . . . 2 Ser HB3 . 25263 1 11 . 1 1 5 5 SER C C 13 173.068 0.16 . 1 . . . . 2 Ser C . 25263 1 12 . 1 1 5 5 SER CA C 13 57.651 0.16 . 1 . . . . 2 Ser CA . 25263 1 13 . 1 1 5 5 SER CB C 13 63.542 0.16 . 1 . . . . 2 Ser CB . 25263 1 14 . 1 1 5 5 SER N N 15 115.298 0.055 . 1 . . . . 2 Ser N . 25263 1 15 . 1 1 6 6 THR H H 1 8.322 0.008 . 1 . . . . 3 Thr H . 25263 1 16 . 1 1 6 6 THR HA H 1 4.415 0.008 . 1 . . . . 3 Thr HA . 25263 1 17 . 1 1 6 6 THR HB H 1 4.346 0.008 . 1 . . . . 3 Thr HB . 25263 1 18 . 1 1 6 6 THR HG21 H 1 1.226 0.008 . 1 . . . . 3 Thr HG21 . 25263 1 19 . 1 1 6 6 THR HG22 H 1 1.226 0.008 . 1 . . . . 3 Thr HG22 . 25263 1 20 . 1 1 6 6 THR HG23 H 1 1.226 0.008 . 1 . . . . 3 Thr HG23 . 25263 1 21 . 1 1 6 6 THR C C 13 172.552 0.16 . 1 . . . . 3 Thr C . 25263 1 22 . 1 1 6 6 THR CA C 13 61.573 0.16 . 1 . . . . 3 Thr CA . 25263 1 23 . 1 1 6 6 THR CB C 13 69.043 0.16 . 1 . . . . 3 Thr CB . 25263 1 24 . 1 1 6 6 THR CG2 C 13 20.827 0.16 . 1 . . . . 3 Thr CG2 . 25263 1 25 . 1 1 6 6 THR N N 15 115.320 0.055 . 1 . . . . 3 Thr N . 25263 1 26 . 1 1 7 7 GLU H H 1 8.405 0.008 . 1 . . . . 4 Glu H . 25263 1 27 . 1 1 7 7 GLU HA H 1 4.413 0.008 . 1 . . . . 4 Glu HA . 25263 1 28 . 1 1 7 7 GLU HB2 H 1 1.972 0.008 . 2 . . . . 4 Glu HB2 . 25263 1 29 . 1 1 7 7 GLU HB3 H 1 1.955 0.008 . 2 . . . . 4 Glu HB3 . 25263 1 30 . 1 1 7 7 GLU HG2 H 1 2.323 0.008 . 2 . . . . 4 Glu HG2 . 25263 1 31 . 1 1 7 7 GLU HG3 H 1 2.338 0.008 . 2 . . . . 4 Glu HG3 . 25263 1 32 . 1 1 7 7 GLU C C 13 174.288 0.16 . 1 . . . . 4 Glu C . 25263 1 33 . 1 1 7 7 GLU CA C 13 56.074 0.16 . 1 . . . . 4 Glu CA . 25263 1 34 . 1 1 7 7 GLU CB C 13 29.918 0.16 . 1 . . . . 4 Glu CB . 25263 1 35 . 1 1 7 7 GLU CG C 13 35.557 0.16 . 1 . . . . 4 Glu CG . 25263 1 36 . 1 1 7 7 GLU N N 15 122.674 0.055 . 1 . . . . 4 Glu N . 25263 1 37 . 1 1 8 8 SER H H 1 8.305 0.008 . 1 . . . . 5 Ser H . 25263 1 38 . 1 1 8 8 SER HA H 1 4.563 0.008 . 1 . . . . 5 Ser HA . 25263 1 39 . 1 1 8 8 SER HB2 H 1 3.932 0.008 . 2 . . . . 5 Ser HB2 . 25263 1 40 . 1 1 8 8 SER HB3 H 1 3.944 0.008 . 2 . . . . 5 Ser HB3 . 25263 1 41 . 1 1 8 8 SER C C 13 171.754 0.16 . 1 . . . . 5 Ser C . 25263 1 42 . 1 1 8 8 SER CA C 13 57.726 0.16 . 1 . . . . 5 Ser CA . 25263 1 43 . 1 1 8 8 SER CB C 13 63.382 0.16 . 1 . . . . 5 Ser CB . 25263 1 44 . 1 1 8 8 SER N N 15 116.754 0.055 . 1 . . . . 5 Ser N . 25263 1 45 . 1 1 9 9 LEU H H 1 8.679 0.008 . 1 . . . . 6 Leu H . 25263 1 46 . 1 1 9 9 LEU HA H 1 4.360 0.008 . 1 . . . . 6 Leu HA . 25263 1 47 . 1 1 9 9 LEU HB2 H 1 1.640 0.008 . 2 . . . . 6 Leu HB2 . 25263 1 48 . 1 1 9 9 LEU HB3 H 1 1.492 0.008 . 2 . . . . 6 Leu HB3 . 25263 1 49 . 1 1 9 9 LEU HG H 1 1.639 0.008 . 1 . . . . 6 Leu HG . 25263 1 50 . 1 1 9 9 LEU HD11 H 1 0.817 0.008 . 2 . . . . 6 Leu HD11 . 25263 1 51 . 1 1 9 9 LEU HD12 H 1 0.817 0.008 . 2 . . . . 6 Leu HD12 . 25263 1 52 . 1 1 9 9 LEU HD13 H 1 0.817 0.008 . 2 . . . . 6 Leu HD13 . 25263 1 53 . 1 1 9 9 LEU HD21 H 1 0.788 0.008 . 2 . . . . 6 Leu HD21 . 25263 1 54 . 1 1 9 9 LEU HD22 H 1 0.788 0.008 . 2 . . . . 6 Leu HD22 . 25263 1 55 . 1 1 9 9 LEU HD23 H 1 0.788 0.008 . 2 . . . . 6 Leu HD23 . 25263 1 56 . 1 1 9 9 LEU C C 13 174.102 0.16 . 1 . . . . 6 Leu C . 25263 1 57 . 1 1 9 9 LEU CA C 13 54.706 0.16 . 1 . . . . 6 Leu CA . 25263 1 58 . 1 1 9 9 LEU CB C 13 43.328 0.16 . 1 . . . . 6 Leu CB . 25263 1 59 . 1 1 9 9 LEU CG C 13 26.770 0.16 . 1 . . . . 6 Leu CG . 25263 1 60 . 1 1 9 9 LEU CD1 C 13 24.353 0.16 . 2 . . . . 6 Leu CD1 . 25263 1 61 . 1 1 9 9 LEU CD2 C 13 22.905 0.16 . 2 . . . . 6 Leu CD2 . 25263 1 62 . 1 1 9 9 LEU N N 15 125.354 0.055 . 1 . . . . 6 Leu N . 25263 1 63 . 1 1 10 10 THR H H 1 8.784 0.008 . 1 . . . . 7 Thr H . 25263 1 64 . 1 1 10 10 THR HA H 1 5.186 0.008 . 1 . . . . 7 Thr HA . 25263 1 65 . 1 1 10 10 THR HB H 1 3.760 0.008 . 1 . . . . 7 Thr HB . 25263 1 66 . 1 1 10 10 THR HG21 H 1 0.998 0.008 . 1 . . . . 7 Thr HG21 . 25263 1 67 . 1 1 10 10 THR HG22 H 1 0.998 0.008 . 1 . . . . 7 Thr HG22 . 25263 1 68 . 1 1 10 10 THR HG23 H 1 0.998 0.008 . 1 . . . . 7 Thr HG23 . 25263 1 69 . 1 1 10 10 THR C C 13 171.243 0.16 . 1 . . . . 7 Thr C . 25263 1 70 . 1 1 10 10 THR CA C 13 58.809 0.16 . 1 . . . . 7 Thr CA . 25263 1 71 . 1 1 10 10 THR CB C 13 72.375 0.16 . 1 . . . . 7 Thr CB . 25263 1 72 . 1 1 10 10 THR CG2 C 13 20.905 0.16 . 1 . . . . 7 Thr CG2 . 25263 1 73 . 1 1 10 10 THR N N 15 114.189 0.055 . 1 . . . . 7 Thr N . 25263 1 74 . 1 1 11 11 VAL H H 1 8.716 0.008 . 1 . . . . 8 Val H . 25263 1 75 . 1 1 11 11 VAL HA H 1 4.514 0.008 . 1 . . . . 8 Val HA . 25263 1 76 . 1 1 11 11 VAL HB H 1 2.024 0.008 . 1 . . . . 8 Val HB . 25263 1 77 . 1 1 11 11 VAL HG11 H 1 0.852 0.008 . 2 . . . . 8 Val HG11 . 25263 1 78 . 1 1 11 11 VAL HG12 H 1 0.852 0.008 . 2 . . . . 8 Val HG12 . 25263 1 79 . 1 1 11 11 VAL HG13 H 1 0.852 0.008 . 2 . . . . 8 Val HG13 . 25263 1 80 . 1 1 11 11 VAL HG21 H 1 1.081 0.008 . 2 . . . . 8 Val HG21 . 25263 1 81 . 1 1 11 11 VAL HG22 H 1 1.081 0.008 . 2 . . . . 8 Val HG22 . 25263 1 82 . 1 1 11 11 VAL HG23 H 1 1.081 0.008 . 2 . . . . 8 Val HG23 . 25263 1 83 . 1 1 11 11 VAL C C 13 174.104 0.16 . 1 . . . . 8 Val C . 25263 1 84 . 1 1 11 11 VAL CA C 13 60.793 0.16 . 1 . . . . 8 Val CA . 25263 1 85 . 1 1 11 11 VAL CB C 13 33.002 0.16 . 1 . . . . 8 Val CB . 25263 1 86 . 1 1 11 11 VAL CG1 C 13 21.647 0.16 . 2 . . . . 8 Val CG1 . 25263 1 87 . 1 1 11 11 VAL CG2 C 13 22.785 0.16 . 2 . . . . 8 Val CG2 . 25263 1 88 . 1 1 11 11 VAL N N 15 117.800 0.055 . 1 . . . . 8 Val N . 25263 1 89 . 1 1 12 12 SER H H 1 8.662 0.008 . 1 . . . . 9 Ser H . 25263 1 90 . 1 1 12 12 SER HA H 1 5.033 0.008 . 1 . . . . 9 Ser HA . 25263 1 91 . 1 1 12 12 SER HB2 H 1 3.734 0.008 . 2 . . . . 9 Ser HB2 . 25263 1 92 . 1 1 12 12 SER HB3 H 1 3.525 0.008 . 2 . . . . 9 Ser HB3 . 25263 1 93 . 1 1 12 12 SER C C 13 172.982 0.16 . 1 . . . . 9 Ser C . 25263 1 94 . 1 1 12 12 SER CA C 13 56.369 0.16 . 1 . . . . 9 Ser CA . 25263 1 95 . 1 1 12 12 SER CB C 13 63.960 0.16 . 1 . . . . 9 Ser CB . 25263 1 96 . 1 1 12 12 SER N N 15 125.116 0.055 . 1 . . . . 9 Ser N . 25263 1 97 . 1 1 13 13 GLY H H 1 10.150 0.008 . 1 . . . . 10 Gly H . 25263 1 98 . 1 1 13 13 GLY HA2 H 1 3.827 0.008 . 2 . . . . 10 Gly HA2 . 25263 1 99 . 1 1 13 13 GLY HA3 H 1 3.991 0.008 . 2 . . . . 10 Gly HA3 . 25263 1 100 . 1 1 13 13 GLY C C 13 172.590 0.16 . 1 . . . . 10 Gly C . 25263 1 101 . 1 1 13 13 GLY CA C 13 45.559 0.16 . 1 . . . . 10 Gly CA . 25263 1 102 . 1 1 13 13 GLY N N 15 113.190 0.055 . 1 . . . . 10 Gly N . 25263 1 103 . 1 1 14 14 GLN H H 1 9.062 0.008 . 1 . . . . 11 Gln H . 25263 1 104 . 1 1 14 14 GLN HA H 1 3.914 0.008 . 1 . . . . 11 Gln HA . 25263 1 105 . 1 1 14 14 GLN HB2 H 1 1.810 0.008 . 2 . . . . 11 Gln HB2 . 25263 1 106 . 1 1 14 14 GLN HB3 H 1 1.854 0.008 . 2 . . . . 11 Gln HB3 . 25263 1 107 . 1 1 14 14 GLN HG2 H 1 2.068 0.008 . 2 . . . . 11 Gln HG2 . 25263 1 108 . 1 1 14 14 GLN HG3 H 1 2.060 0.008 . 2 . . . . 11 Gln HG3 . 25263 1 109 . 1 1 14 14 GLN HE21 H 1 6.687 0.008 . 1 . . . . 11 Gln HE21 . 25263 1 110 . 1 1 14 14 GLN HE22 H 1 6.856 0.008 . 1 . . . . 11 Gln HE22 . 25263 1 111 . 1 1 14 14 GLN C C 13 169.702 0.16 . 1 . . . . 11 Gln C . 25263 1 112 . 1 1 14 14 GLN CA C 13 55.461 0.16 . 1 . . . . 11 Gln CA . 25263 1 113 . 1 1 14 14 GLN CB C 13 29.278 0.16 . 1 . . . . 11 Gln CB . 25263 1 114 . 1 1 14 14 GLN CG C 13 34.115 0.16 . 1 . . . . 11 Gln CG . 25263 1 115 . 1 1 14 14 GLN N N 15 115.657 0.055 . 1 . . . . 11 Gln N . 25263 1 116 . 1 1 14 14 GLN NE2 N 15 113.170 0.055 . 1 . . . . 11 Gln NE2 . 25263 1 117 . 1 1 15 15 PRO HA H 1 4.200 0.008 . 1 . . . . 12 Pro HA . 25263 1 118 . 1 1 15 15 PRO HB2 H 1 1.341 0.008 . 1 . . . . 12 Pro HB2 . 25263 1 119 . 1 1 15 15 PRO HB3 H 1 1.341 0.008 . 1 . . . . 12 Pro HB3 . 25263 1 120 . 1 1 15 15 PRO HG2 H 1 1.779 0.008 . 2 . . . . 12 Pro HG2 . 25263 1 121 . 1 1 15 15 PRO HG3 H 1 1.783 0.008 . 2 . . . . 12 Pro HG3 . 25263 1 122 . 1 1 15 15 PRO HD2 H 1 3.984 0.008 . 1 . . . . 12 Pro HD2 . 25263 1 123 . 1 1 15 15 PRO HD3 H 1 3.984 0.008 . 1 . . . . 12 Pro HD3 . 25263 1 124 . 1 1 15 15 PRO C C 13 172.373 0.16 . 1 . . . . 12 Pro C . 25263 1 125 . 1 1 15 15 PRO CA C 13 62.921 0.16 . 1 . . . . 12 Pro CA . 25263 1 126 . 1 1 15 15 PRO CB C 13 31.922 0.16 . 1 . . . . 12 Pro CB . 25263 1 127 . 1 1 15 15 PRO CG C 13 27.457 0.16 . 1 . . . . 12 Pro CG . 25263 1 128 . 1 1 15 15 PRO CD C 13 49.973 0.16 . 1 . . . . 12 Pro CD . 25263 1 129 . 1 1 16 16 GLU H H 1 7.256 0.008 . 1 . . . . 13 Glu H . 25263 1 130 . 1 1 16 16 GLU HA H 1 4.145 0.008 . 1 . . . . 13 Glu HA . 25263 1 131 . 1 1 16 16 GLU HB2 H 1 2.034 0.008 . 2 . . . . 13 Glu HB2 . 25263 1 132 . 1 1 16 16 GLU HB3 H 1 2.022 0.008 . 2 . . . . 13 Glu HB3 . 25263 1 133 . 1 1 16 16 GLU HG2 H 1 2.217 0.008 . 2 . . . . 13 Glu HG2 . 25263 1 134 . 1 1 16 16 GLU HG3 H 1 2.220 0.008 . 2 . . . . 13 Glu HG3 . 25263 1 135 . 1 1 16 16 GLU C C 13 173.474 0.16 . 1 . . . . 13 Glu C . 25263 1 136 . 1 1 16 16 GLU CA C 13 54.488 0.16 . 1 . . . . 13 Glu CA . 25263 1 137 . 1 1 16 16 GLU CB C 13 32.134 0.16 . 1 . . . . 13 Glu CB . 25263 1 138 . 1 1 16 16 GLU CG C 13 34.612 0.16 . 1 . . . . 13 Glu CG . 25263 1 139 . 1 1 16 16 GLU N N 15 111.818 0.055 . 1 . . . . 13 Glu N . 25263 1 140 . 1 1 17 17 HIS H H 1 8.822 0.008 . 1 . . . . 14 His H . 25263 1 141 . 1 1 17 17 HIS HA H 1 5.055 0.008 . 1 . . . . 14 His HA . 25263 1 142 . 1 1 17 17 HIS HB2 H 1 3.428 0.008 . 2 . . . . 14 His HB2 . 25263 1 143 . 1 1 17 17 HIS HB3 H 1 3.420 0.008 . 2 . . . . 14 His HB3 . 25263 1 144 . 1 1 17 17 HIS HD1 H 1 7.167 0.008 . 1 . . . . 14 His HD1 . 25263 1 145 . 1 1 17 17 HIS HD2 H 1 7.167 0.008 . 1 . . . . 14 His HD2 . 25263 1 146 . 1 1 17 17 HIS HE1 H 1 8.002 0.008 . 1 . . . . 14 His HE1 . 25263 1 147 . 1 1 17 17 HIS HE2 H 1 8.002 0.008 . 1 . . . . 14 His HE2 . 25263 1 148 . 1 1 17 17 HIS C C 13 169.571 0.16 . 1 . . . . 14 His C . 25263 1 149 . 1 1 17 17 HIS CA C 13 55.920 0.16 . 1 . . . . 14 His CA . 25263 1 150 . 1 1 17 17 HIS CB C 13 33.473 0.16 . 1 . . . . 14 His CB . 25263 1 151 . 1 1 17 17 HIS N N 15 124.024 0.055 . 1 . . . . 14 His N . 25263 1 152 . 1 1 18 18 LYS H H 1 8.484 0.008 . 1 . . . . 15 Lys H . 25263 1 153 . 1 1 18 18 LYS HA H 1 4.831 0.008 . 1 . . . . 15 Lys HA . 25263 1 154 . 1 1 18 18 LYS HB2 H 1 1.691 0.008 . 1 . . . . 15 Lys HB2 . 25263 1 155 . 1 1 18 18 LYS HB3 H 1 1.691 0.008 . 1 . . . . 15 Lys HB3 . 25263 1 156 . 1 1 18 18 LYS HG2 H 1 1.207 0.008 . 1 . . . . 15 Lys HG2 . 25263 1 157 . 1 1 18 18 LYS HG3 H 1 1.207 0.008 . 1 . . . . 15 Lys HG3 . 25263 1 158 . 1 1 18 18 LYS HD2 H 1 1.640 0.008 . 1 . . . . 15 Lys HD2 . 25263 1 159 . 1 1 18 18 LYS HD3 H 1 1.640 0.008 . 1 . . . . 15 Lys HD3 . 25263 1 160 . 1 1 18 18 LYS HE2 H 1 2.971 0.008 . 1 . . . . 15 Lys HE2 . 25263 1 161 . 1 1 18 18 LYS HE3 H 1 2.971 0.008 . 1 . . . . 15 Lys HE3 . 25263 1 162 . 1 1 18 18 LYS C C 13 173.558 0.16 . 1 . . . . 15 Lys C . 25263 1 163 . 1 1 18 18 LYS CA C 13 53.907 0.16 . 1 . . . . 15 Lys CA . 25263 1 164 . 1 1 18 18 LYS CB C 13 35.320 0.16 . 1 . . . . 15 Lys CB . 25263 1 165 . 1 1 18 18 LYS CG C 13 23.320 0.16 . 1 . . . . 15 Lys CG . 25263 1 166 . 1 1 18 18 LYS CD C 13 28.835 0.16 . 1 . . . . 15 Lys CD . 25263 1 167 . 1 1 18 18 LYS CE C 13 41.539 0.16 . 1 . . . . 15 Lys CE . 25263 1 168 . 1 1 18 18 LYS N N 15 113.993 0.055 . 1 . . . . 15 Lys N . 25263 1 169 . 1 1 19 19 VAL H H 1 8.702 0.008 . 1 . . . . 16 Val H . 25263 1 170 . 1 1 19 19 VAL HA H 1 3.911 0.008 . 1 . . . . 16 Val HA . 25263 1 171 . 1 1 19 19 VAL HB H 1 1.763 0.008 . 1 . . . . 16 Val HB . 25263 1 172 . 1 1 19 19 VAL HG11 H 1 0.465 0.008 . 2 . . . . 16 Val HG11 . 25263 1 173 . 1 1 19 19 VAL HG12 H 1 0.465 0.008 . 2 . . . . 16 Val HG12 . 25263 1 174 . 1 1 19 19 VAL HG13 H 1 0.465 0.008 . 2 . . . . 16 Val HG13 . 25263 1 175 . 1 1 19 19 VAL HG21 H 1 0.793 0.008 . 2 . . . . 16 Val HG21 . 25263 1 176 . 1 1 19 19 VAL HG22 H 1 0.793 0.008 . 2 . . . . 16 Val HG22 . 25263 1 177 . 1 1 19 19 VAL HG23 H 1 0.793 0.008 . 2 . . . . 16 Val HG23 . 25263 1 178 . 1 1 19 19 VAL C C 13 173.523 0.16 . 1 . . . . 16 Val C . 25263 1 179 . 1 1 19 19 VAL CA C 13 62.454 0.16 . 1 . . . . 16 Val CA . 25263 1 180 . 1 1 19 19 VAL CB C 13 31.449 0.16 . 1 . . . . 16 Val CB . 25263 1 181 . 1 1 19 19 VAL CG1 C 13 20.503 0.16 . 2 . . . . 16 Val CG1 . 25263 1 182 . 1 1 19 19 VAL CG2 C 13 21.260 0.16 . 2 . . . . 16 Val CG2 . 25263 1 183 . 1 1 19 19 VAL N N 15 120.375 0.055 . 1 . . . . 16 Val N . 25263 1 184 . 1 1 20 20 GLU H H 1 8.431 0.008 . 1 . . . . 17 Glu H . 25263 1 185 . 1 1 20 20 GLU HA H 1 4.537 0.008 . 1 . . . . 17 Glu HA . 25263 1 186 . 1 1 20 20 GLU HB2 H 1 1.878 0.008 . 2 . . . . 17 Glu HB2 . 25263 1 187 . 1 1 20 20 GLU HB3 H 1 1.851 0.008 . 2 . . . . 17 Glu HB3 . 25263 1 188 . 1 1 20 20 GLU HG2 H 1 2.181 0.008 . 2 . . . . 17 Glu HG2 . 25263 1 189 . 1 1 20 20 GLU HG3 H 1 2.185 0.008 . 2 . . . . 17 Glu HG3 . 25263 1 190 . 1 1 20 20 GLU C C 13 173.275 0.16 . 1 . . . . 17 Glu C . 25263 1 191 . 1 1 20 20 GLU CA C 13 54.848 0.16 . 1 . . . . 17 Glu CA . 25263 1 192 . 1 1 20 20 GLU CB C 13 31.795 0.16 . 1 . . . . 17 Glu CB . 25263 1 193 . 1 1 20 20 GLU CG C 13 36.251 0.16 . 1 . . . . 17 Glu CG . 25263 1 194 . 1 1 20 20 GLU N N 15 125.742 0.055 . 1 . . . . 17 Glu N . 25263 1 195 . 1 1 21 21 ALA H H 1 8.537 0.008 . 1 . . . . 18 Ala H . 25263 1 196 . 1 1 21 21 ALA HA H 1 4.415 0.008 . 1 . . . . 18 Ala HA . 25263 1 197 . 1 1 21 21 ALA HB1 H 1 1.401 0.008 . 1 . . . . 18 Ala HB1 . 25263 1 198 . 1 1 21 21 ALA HB2 H 1 1.401 0.008 . 1 . . . . 18 Ala HB2 . 25263 1 199 . 1 1 21 21 ALA HB3 H 1 1.401 0.008 . 1 . . . . 18 Ala HB3 . 25263 1 200 . 1 1 21 21 ALA C C 13 175.255 0.16 . 1 . . . . 18 Ala C . 25263 1 201 . 1 1 21 21 ALA CA C 13 52.508 0.16 . 1 . . . . 18 Ala CA . 25263 1 202 . 1 1 21 21 ALA CB C 13 19.414 0.16 . 1 . . . . 18 Ala CB . 25263 1 203 . 1 1 21 21 ALA N N 15 123.043 0.055 . 1 . . . . 18 Ala N . 25263 1 204 . 1 1 22 22 LYS H H 1 8.012 0.008 . 1 . . . . 19 Lys H . 25263 1 205 . 1 1 22 22 LYS HA H 1 4.879 0.008 . 1 . . . . 19 Lys HA . 25263 1 206 . 1 1 22 22 LYS HB2 H 1 1.721 0.008 . 1 . . . . 19 Lys HB2 . 25263 1 207 . 1 1 22 22 LYS HB3 H 1 1.721 0.008 . 1 . . . . 19 Lys HB3 . 25263 1 208 . 1 1 22 22 LYS HG2 H 1 1.392 0.008 . 1 . . . . 19 Lys HG2 . 25263 1 209 . 1 1 22 22 LYS HG3 H 1 1.392 0.008 . 1 . . . . 19 Lys HG3 . 25263 1 210 . 1 1 22 22 LYS HD2 H 1 1.580 0.008 . 1 . . . . 19 Lys HD2 . 25263 1 211 . 1 1 22 22 LYS HD3 H 1 1.580 0.008 . 1 . . . . 19 Lys HD3 . 25263 1 212 . 1 1 22 22 LYS HE2 H 1 2.995 0.008 . 1 . . . . 19 Lys HE2 . 25263 1 213 . 1 1 22 22 LYS HE3 H 1 2.995 0.008 . 1 . . . . 19 Lys HE3 . 25263 1 214 . 1 1 22 22 LYS C C 13 173.727 0.16 . 1 . . . . 19 Lys C . 25263 1 215 . 1 1 22 22 LYS CA C 13 54.467 0.16 . 1 . . . . 19 Lys CA . 25263 1 216 . 1 1 22 22 LYS CB C 13 35.321 0.16 . 1 . . . . 19 Lys CB . 25263 1 217 . 1 1 22 22 LYS CG C 13 24.206 0.16 . 1 . . . . 19 Lys CG . 25263 1 218 . 1 1 22 22 LYS CD C 13 28.648 0.16 . 1 . . . . 19 Lys CD . 25263 1 219 . 1 1 22 22 LYS CE C 13 41.435 0.16 . 1 . . . . 19 Lys CE . 25263 1 220 . 1 1 22 22 LYS N N 15 117.064 0.055 . 1 . . . . 19 Lys N . 25263 1 221 . 1 1 23 23 ASP H H 1 8.679 0.008 . 1 . . . . 20 Asp H . 25263 1 222 . 1 1 23 23 ASP HA H 1 4.726 0.008 . 1 . . . . 20 Asp HA . 25263 1 223 . 1 1 23 23 ASP HB2 H 1 3.243 0.008 . 2 . . . . 20 Asp HB2 . 25263 1 224 . 1 1 23 23 ASP HB3 H 1 3.259 0.008 . 2 . . . . 20 Asp HB3 . 25263 1 225 . 1 1 23 23 ASP C C 13 176.403 0.16 . 1 . . . . 20 Asp C . 25263 1 226 . 1 1 23 23 ASP CA C 13 52.203 0.16 . 1 . . . . 20 Asp CA . 25263 1 227 . 1 1 23 23 ASP CB C 13 40.947 0.16 . 1 . . . . 20 Asp CB . 25263 1 228 . 1 1 23 23 ASP N N 15 121.408 0.055 . 1 . . . . 20 Asp N . 25263 1 229 . 1 1 24 24 SER H H 1 8.486 0.008 . 1 . . . . 21 Ser H . 25263 1 230 . 1 1 24 24 SER HA H 1 4.283 0.008 . 1 . . . . 21 Ser HA . 25263 1 231 . 1 1 24 24 SER HB2 H 1 3.960 0.008 . 1 . . . . 21 Ser HB2 . 25263 1 232 . 1 1 24 24 SER HB3 H 1 3.960 0.008 . 1 . . . . 21 Ser HB3 . 25263 1 233 . 1 1 24 24 SER C C 13 173.082 0.16 . 1 . . . . 21 Ser C . 25263 1 234 . 1 1 24 24 SER CA C 13 60.216 0.16 . 1 . . . . 21 Ser CA . 25263 1 235 . 1 1 24 24 SER CB C 13 62.516 0.16 . 1 . . . . 21 Ser CB . 25263 1 236 . 1 1 24 24 SER N N 15 113.799 0.055 . 1 . . . . 21 Ser N . 25263 1 237 . 1 1 25 25 ASN H H 1 8.381 0.008 . 1 . . . . 22 Asn H . 25263 1 238 . 1 1 25 25 ASN HA H 1 4.956 0.008 . 1 . . . . 22 Asn HA . 25263 1 239 . 1 1 25 25 ASN HB2 H 1 2.876 0.008 . 2 . . . . 22 Asn HB2 . 25263 1 240 . 1 1 25 25 ASN HB3 H 1 2.880 0.008 . 2 . . . . 22 Asn HB3 . 25263 1 241 . 1 1 25 25 ASN HD21 H 1 7.032 0.008 . 1 . . . . 22 Asn HD21 . 25263 1 242 . 1 1 25 25 ASN HD22 H 1 7.617 0.008 . 1 . . . . 22 Asn HD22 . 25263 1 243 . 1 1 25 25 ASN C C 13 173.414 0.16 . 1 . . . . 22 Asn C . 25263 1 244 . 1 1 25 25 ASN CA C 13 52.672 0.16 . 1 . . . . 22 Asn CA . 25263 1 245 . 1 1 25 25 ASN CB C 13 38.918 0.16 . 1 . . . . 22 Asn CB . 25263 1 246 . 1 1 25 25 ASN N N 15 118.927 0.055 . 1 . . . . 22 Asn N . 25263 1 247 . 1 1 25 25 ASN ND2 N 15 111.191 0.055 . 1 . . . . 22 Asn ND2 . 25263 1 248 . 1 1 26 26 GLY H H 1 8.274 0.008 . 1 . . . . 23 Gly H . 25263 1 249 . 1 1 26 26 GLY HA2 H 1 4.472 0.008 . 1 . . . . 23 Gly HA2 . 25263 1 250 . 1 1 26 26 GLY HA3 H 1 4.472 0.008 . 1 . . . . 23 Gly HA3 . 25263 1 251 . 1 1 26 26 GLY C C 13 172.016 0.16 . 1 . . . . 23 Gly C . 25263 1 252 . 1 1 26 26 GLY CA C 13 45.365 0.16 . 1 . . . . 23 Gly CA . 25263 1 253 . 1 1 26 26 GLY N N 15 107.879 0.055 . 1 . . . . 23 Gly N . 25263 1 254 . 1 1 27 27 MET H H 1 8.370 0.008 . 1 . . . . 24 Met H . 25263 1 255 . 1 1 27 27 MET HA H 1 4.970 0.008 . 1 . . . . 24 Met HA . 25263 1 256 . 1 1 27 27 MET HB2 H 1 2.280 0.008 . 2 . . . . 24 Met HB2 . 25263 1 257 . 1 1 27 27 MET HB3 H 1 2.288 0.008 . 2 . . . . 24 Met HB3 . 25263 1 258 . 1 1 27 27 MET HG2 H 1 2.493 0.008 . 2 . . . . 24 Met HG2 . 25263 1 259 . 1 1 27 27 MET HG3 H 1 2.485 0.008 . 2 . . . . 24 Met HG3 . 25263 1 260 . 1 1 27 27 MET C C 13 171.949 0.16 . 1 . . . . 24 Met C . 25263 1 261 . 1 1 27 27 MET CA C 13 52.268 0.16 . 1 . . . . 24 Met CA . 25263 1 262 . 1 1 27 27 MET CB C 13 30.956 0.16 . 1 . . . . 24 Met CB . 25263 1 263 . 1 1 27 27 MET CG C 13 31.892 0.16 . 1 . . . . 24 Met CG . 25263 1 264 . 1 1 27 27 MET N N 15 121.310 0.055 . 1 . . . . 24 Met N . 25263 1 265 . 1 1 28 28 PRO HA H 1 4.590 0.008 . 1 . . . . 25 Pro HA . 25263 1 266 . 1 1 28 28 PRO HB2 H 1 2.247 0.008 . 2 . . . . 25 Pro HB2 . 25263 1 267 . 1 1 28 28 PRO HB3 H 1 2.244 0.008 . 2 . . . . 25 Pro HB3 . 25263 1 268 . 1 1 28 28 PRO HG2 H 1 1.941 0.008 . 1 . . . . 25 Pro HG2 . 25263 1 269 . 1 1 28 28 PRO HG3 H 1 1.941 0.008 . 1 . . . . 25 Pro HG3 . 25263 1 270 . 1 1 28 28 PRO HD2 H 1 3.733 0.008 . 1 . . . . 25 Pro HD2 . 25263 1 271 . 1 1 28 28 PRO HD3 H 1 3.733 0.008 . 1 . . . . 25 Pro HD3 . 25263 1 272 . 1 1 28 28 PRO C C 13 174.892 0.16 . 1 . . . . 25 Pro C . 25263 1 273 . 1 1 28 28 PRO CA C 13 62.780 0.16 . 1 . . . . 25 Pro CA . 25263 1 274 . 1 1 28 28 PRO CB C 13 31.677 0.16 . 1 . . . . 25 Pro CB . 25263 1 275 . 1 1 28 28 PRO CG C 13 27.354 0.16 . 1 . . . . 25 Pro CG . 25263 1 276 . 1 1 28 28 PRO CD C 13 50.125 0.16 . 1 . . . . 25 Pro CD . 25263 1 277 . 1 1 29 29 VAL H H 1 7.865 0.008 . 1 . . . . 26 Val H . 25263 1 278 . 1 1 29 29 VAL HA H 1 4.134 0.008 . 1 . . . . 26 Val HA . 25263 1 279 . 1 1 29 29 VAL HB H 1 1.874 0.008 . 1 . . . . 26 Val HB . 25263 1 280 . 1 1 29 29 VAL HG11 H 1 0.843 0.008 . 2 . . . . 26 Val HG11 . 25263 1 281 . 1 1 29 29 VAL HG12 H 1 0.843 0.008 . 2 . . . . 26 Val HG12 . 25263 1 282 . 1 1 29 29 VAL HG13 H 1 0.843 0.008 . 2 . . . . 26 Val HG13 . 25263 1 283 . 1 1 29 29 VAL HG21 H 1 0.896 0.008 . 2 . . . . 26 Val HG21 . 25263 1 284 . 1 1 29 29 VAL HG22 H 1 0.896 0.008 . 2 . . . . 26 Val HG22 . 25263 1 285 . 1 1 29 29 VAL HG23 H 1 0.896 0.008 . 2 . . . . 26 Val HG23 . 25263 1 286 . 1 1 29 29 VAL C C 13 173.086 0.16 . 1 . . . . 26 Val C . 25263 1 287 . 1 1 29 29 VAL CA C 13 61.038 0.16 . 1 . . . . 26 Val CA . 25263 1 288 . 1 1 29 29 VAL CB C 13 33.375 0.16 . 1 . . . . 26 Val CB . 25263 1 289 . 1 1 29 29 VAL CG1 C 13 20.741 0.16 . 2 . . . . 26 Val CG1 . 25263 1 290 . 1 1 29 29 VAL CG2 C 13 21.696 0.16 . 2 . . . . 26 Val CG2 . 25263 1 291 . 1 1 29 29 VAL N N 15 122.197 0.055 . 1 . . . . 26 Val N . 25263 1 292 . 1 1 30 30 ASP H H 1 8.682 0.008 . 1 . . . . 27 Asp H . 25263 1 293 . 1 1 30 30 ASP HA H 1 4.762 0.008 . 1 . . . . 27 Asp HA . 25263 1 294 . 1 1 30 30 ASP HB2 H 1 2.755 0.008 . 2 . . . . 27 Asp HB2 . 25263 1 295 . 1 1 30 30 ASP HB3 H 1 2.767 0.008 . 2 . . . . 27 Asp HB3 . 25263 1 296 . 1 1 30 30 ASP C C 13 174.295 0.16 . 1 . . . . 27 Asp C . 25263 1 297 . 1 1 30 30 ASP CA C 13 52.787 0.16 . 1 . . . . 27 Asp CA . 25263 1 298 . 1 1 30 30 ASP CB C 13 40.608 0.16 . 1 . . . . 27 Asp CB . 25263 1 299 . 1 1 30 30 ASP N N 15 125.447 0.055 . 1 . . . . 27 Asp N . 25263 1 300 . 1 1 31 31 ASN H H 1 8.616 0.008 . 1 . . . . 28 Asn H . 25263 1 301 . 1 1 31 31 ASN HA H 1 4.685 0.008 . 1 . . . . 28 Asn HA . 25263 1 302 . 1 1 31 31 ASN HB2 H 1 2.894 0.008 . 1 . . . . 28 Asn HB2 . 25263 1 303 . 1 1 31 31 ASN HB3 H 1 2.894 0.008 . 1 . . . . 28 Asn HB3 . 25263 1 304 . 1 1 31 31 ASN HD21 H 1 7.787 0.008 . 1 . . . . 28 Asn HD21 . 25263 1 305 . 1 1 31 31 ASN HD22 H 1 7.911 0.008 . 1 . . . . 28 Asn HD22 . 25263 1 306 . 1 1 31 31 ASN C C 13 172.847 0.16 . 1 . . . . 28 Asn C . 25263 1 307 . 1 1 31 31 ASN CA C 13 54.099 0.16 . 1 . . . . 28 Asn CA . 25263 1 308 . 1 1 31 31 ASN CB C 13 38.426 0.16 . 1 . . . . 28 Asn CB . 25263 1 309 . 1 1 31 31 ASN N N 15 120.731 0.055 . 1 . . . . 28 Asn N . 25263 1 310 . 1 1 31 31 ASN ND2 N 15 110.895 0.055 . 1 . . . . 28 Asn ND2 . 25263 1 311 . 1 1 32 32 ARG H H 1 8.401 0.008 . 1 . . . . 29 Arg H . 25263 1 312 . 1 1 32 32 ARG HA H 1 4.338 0.008 . 1 . . . . 29 Arg HA . 25263 1 313 . 1 1 32 32 ARG HB2 H 1 1.943 0.008 . 1 . . . . 29 Arg HB2 . 25263 1 314 . 1 1 32 32 ARG HB3 H 1 1.943 0.008 . 1 . . . . 29 Arg HB3 . 25263 1 315 . 1 1 32 32 ARG HG2 H 1 1.663 0.008 . 1 . . . . 29 Arg HG2 . 25263 1 316 . 1 1 32 32 ARG HG3 H 1 1.663 0.008 . 1 . . . . 29 Arg HG3 . 25263 1 317 . 1 1 32 32 ARG HD2 H 1 3.259 0.008 . 1 . . . . 29 Arg HD2 . 25263 1 318 . 1 1 32 32 ARG HD3 H 1 3.259 0.008 . 1 . . . . 29 Arg HD3 . 25263 1 319 . 1 1 32 32 ARG C C 13 173.165 0.16 . 1 . . . . 29 Arg C . 25263 1 320 . 1 1 32 32 ARG CA C 13 57.040 0.16 . 1 . . . . 29 Arg CA . 25263 1 321 . 1 1 32 32 ARG CB C 13 30.105 0.16 . 1 . . . . 29 Arg CB . 25263 1 322 . 1 1 32 32 ARG CG C 13 26.466 0.16 . 1 . . . . 29 Arg CG . 25263 1 323 . 1 1 32 32 ARG CD C 13 42.751 0.16 . 1 . . . . 29 Arg CD . 25263 1 324 . 1 1 32 32 ARG N N 15 120.815 0.055 . 1 . . . . 29 Arg N . 25263 1 325 . 1 1 33 33 GLN H H 1 7.491 0.008 . 1 . . . . 30 Gln H . 25263 1 326 . 1 1 33 33 GLN HA H 1 5.708 0.008 . 1 . . . . 30 Gln HA . 25263 1 327 . 1 1 33 33 GLN HB2 H 1 1.757 0.008 . 2 . . . . 30 Gln HB2 . 25263 1 328 . 1 1 33 33 GLN HB3 H 1 1.746 0.008 . 2 . . . . 30 Gln HB3 . 25263 1 329 . 1 1 33 33 GLN HG2 H 1 2.111 0.008 . 2 . . . . 30 Gln HG2 . 25263 1 330 . 1 1 33 33 GLN HG3 H 1 2.139 0.008 . 2 . . . . 30 Gln HG3 . 25263 1 331 . 1 1 33 33 GLN HE21 H 1 6.619 0.008 . 1 . . . . 30 Gln HE21 . 25263 1 332 . 1 1 33 33 GLN HE22 H 1 7.427 0.008 . 1 . . . . 30 Gln HE22 . 25263 1 333 . 1 1 33 33 GLN C C 13 171.906 0.16 . 1 . . . . 30 Gln C . 25263 1 334 . 1 1 33 33 GLN CA C 13 52.802 0.16 . 1 . . . . 30 Gln CA . 25263 1 335 . 1 1 33 33 GLN CB C 13 32.050 0.16 . 1 . . . . 30 Gln CB . 25263 1 336 . 1 1 33 33 GLN CG C 13 33.026 0.16 . 1 . . . . 30 Gln CG . 25263 1 337 . 1 1 33 33 GLN N N 15 112.820 0.055 . 1 . . . . 30 Gln N . 25263 1 338 . 1 1 33 33 GLN NE2 N 15 110.540 0.055 . 1 . . . . 30 Gln NE2 . 25263 1 339 . 1 1 34 34 GLY H H 1 8.581 0.008 . 1 . . . . 31 Gly H . 25263 1 340 . 1 1 34 34 GLY HA2 H 1 3.908 0.008 . 2 . . . . 31 Gly HA2 . 25263 1 341 . 1 1 34 34 GLY HA3 H 1 4.042 0.008 . 2 . . . . 31 Gly HA3 . 25263 1 342 . 1 1 34 34 GLY C C 13 169.545 0.16 . 1 . . . . 31 Gly C . 25263 1 343 . 1 1 34 34 GLY CA C 13 43.299 0.16 . 1 . . . . 31 Gly CA . 25263 1 344 . 1 1 34 34 GLY N N 15 105.834 0.055 . 1 . . . . 31 Gly N . 25263 1 345 . 1 1 35 35 THR H H 1 8.393 0.008 . 1 . . . . 32 Thr H . 25263 1 346 . 1 1 35 35 THR HA H 1 5.727 0.008 . 1 . . . . 32 Thr HA . 25263 1 347 . 1 1 35 35 THR HB H 1 4.029 0.008 . 1 . . . . 32 Thr HB . 25263 1 348 . 1 1 35 35 THR C C 13 174.249 0.16 . 1 . . . . 32 Thr C . 25263 1 349 . 1 1 35 35 THR CA C 13 60.375 0.16 . 1 . . . . 32 Thr CA . 25263 1 350 . 1 1 35 35 THR CB C 13 70.908 0.16 . 1 . . . . 32 Thr CB . 25263 1 351 . 1 1 35 35 THR CG2 C 13 21.523 0.16 . 1 . . . . 32 Thr CG2 . 25263 1 352 . 1 1 35 35 THR N N 15 111.476 0.055 . 1 . . . . 32 Thr N . 25263 1 353 . 1 1 36 36 ILE H H 1 9.344 0.008 . 1 . . . . 33 Ile H . 25263 1 354 . 1 1 36 36 ILE HA H 1 4.802 0.008 . 1 . . . . 33 Ile HA . 25263 1 355 . 1 1 36 36 ILE HB H 1 2.046 0.008 . 1 . . . . 33 Ile HB . 25263 1 356 . 1 1 36 36 ILE HG12 H 1 1.411 0.008 . 2 . . . . 33 Ile HG12 . 25263 1 357 . 1 1 36 36 ILE HG13 H 1 1.403 0.008 . 2 . . . . 33 Ile HG13 . 25263 1 358 . 1 1 36 36 ILE HG21 H 1 0.925 0.008 . 1 . . . . 33 Ile HG21 . 25263 1 359 . 1 1 36 36 ILE HG22 H 1 0.925 0.008 . 1 . . . . 33 Ile HG22 . 25263 1 360 . 1 1 36 36 ILE HG23 H 1 0.925 0.008 . 1 . . . . 33 Ile HG23 . 25263 1 361 . 1 1 36 36 ILE HD11 H 1 0.734 0.008 . 1 . . . . 33 Ile HD11 . 25263 1 362 . 1 1 36 36 ILE HD12 H 1 0.734 0.008 . 1 . . . . 33 Ile HD12 . 25263 1 363 . 1 1 36 36 ILE HD13 H 1 0.734 0.008 . 1 . . . . 33 Ile HD13 . 25263 1 364 . 1 1 36 36 ILE C C 13 171.098 0.16 . 1 . . . . 33 Ile C . 25263 1 365 . 1 1 36 36 ILE CA C 13 59.785 0.16 . 1 . . . . 33 Ile CA . 25263 1 366 . 1 1 36 36 ILE CB C 13 42.242 0.16 . 1 . . . . 33 Ile CB . 25263 1 367 . 1 1 36 36 ILE CG1 C 13 25.157 0.16 . 1 . . . . 33 Ile CG1 . 25263 1 368 . 1 1 36 36 ILE CG2 C 13 18.349 0.16 . 1 . . . . 33 Ile CG2 . 25263 1 369 . 1 1 36 36 ILE CD1 C 13 13.266 0.16 . 1 . . . . 33 Ile CD1 . 25263 1 370 . 1 1 36 36 ILE N N 15 118.025 0.055 . 1 . . . . 33 Ile N . 25263 1 371 . 1 1 37 37 THR H H 1 9.916 0.008 . 1 . . . . 34 Thr H . 25263 1 372 . 1 1 37 37 THR HA H 1 5.307 0.008 . 1 . . . . 34 Thr HA . 25263 1 373 . 1 1 37 37 THR HB H 1 3.985 0.008 . 1 . . . . 34 Thr HB . 25263 1 374 . 1 1 37 37 THR HG21 H 1 1.248 0.008 . 1 . . . . 34 Thr HG21 . 25263 1 375 . 1 1 37 37 THR HG22 H 1 1.248 0.008 . 1 . . . . 34 Thr HG22 . 25263 1 376 . 1 1 37 37 THR HG23 H 1 1.248 0.008 . 1 . . . . 34 Thr HG23 . 25263 1 377 . 1 1 37 37 THR C C 13 172.084 0.16 . 1 . . . . 34 Thr C . 25263 1 378 . 1 1 37 37 THR CA C 13 61.209 0.16 . 1 . . . . 34 Thr CA . 25263 1 379 . 1 1 37 37 THR CB C 13 70.008 0.16 . 1 . . . . 34 Thr CB . 25263 1 380 . 1 1 37 37 THR CG2 C 13 21.263 0.16 . 1 . . . . 34 Thr CG2 . 25263 1 381 . 1 1 37 37 THR N N 15 119.270 0.055 . 1 . . . . 34 Thr N . 25263 1 382 . 1 1 38 38 VAL H H 1 8.614 0.008 . 1 . . . . 35 Val H . 25263 1 383 . 1 1 38 38 VAL HA H 1 5.286 0.008 . 1 . . . . 35 Val HA . 25263 1 384 . 1 1 38 38 VAL HB H 1 2.227 0.008 . 1 . . . . 35 Val HB . 25263 1 385 . 1 1 38 38 VAL HG11 H 1 0.759 0.008 . 2 . . . . 35 Val HG11 . 25263 1 386 . 1 1 38 38 VAL HG12 H 1 0.759 0.008 . 2 . . . . 35 Val HG12 . 25263 1 387 . 1 1 38 38 VAL HG13 H 1 0.759 0.008 . 2 . . . . 35 Val HG13 . 25263 1 388 . 1 1 38 38 VAL HG21 H 1 0.933 0.008 . 2 . . . . 35 Val HG21 . 25263 1 389 . 1 1 38 38 VAL HG22 H 1 0.933 0.008 . 2 . . . . 35 Val HG22 . 25263 1 390 . 1 1 38 38 VAL HG23 H 1 0.933 0.008 . 2 . . . . 35 Val HG23 . 25263 1 391 . 1 1 38 38 VAL C C 13 175.031 0.16 . 1 . . . . 35 Val C . 25263 1 392 . 1 1 38 38 VAL CA C 13 58.499 0.16 . 1 . . . . 35 Val CA . 25263 1 393 . 1 1 38 38 VAL CB C 13 34.154 0.16 . 1 . . . . 35 Val CB . 25263 1 394 . 1 1 38 38 VAL CG2 C 13 21.630 0.16 . 1 . . . . 35 Val CG2 . 25263 1 395 . 1 1 38 38 VAL N N 15 117.412 0.055 . 1 . . . . 35 Val N . 25263 1 396 . 1 1 39 39 SER H H 1 8.742 0.008 . 1 . . . . 36 Ser H . 25263 1 397 . 1 1 39 39 SER HA H 1 3.966 0.008 . 1 . . . . 36 Ser HA . 25263 1 398 . 1 1 39 39 SER HB2 H 1 3.926 0.008 . 1 . . . . 36 Ser HB2 . 25263 1 399 . 1 1 39 39 SER HB3 H 1 3.926 0.008 . 1 . . . . 36 Ser HB3 . 25263 1 400 . 1 1 39 39 SER C C 13 172.536 0.16 . 1 . . . . 36 Ser C . 25263 1 401 . 1 1 39 39 SER CA C 13 60.119 0.16 . 1 . . . . 36 Ser CA . 25263 1 402 . 1 1 39 39 SER CB C 13 62.954 0.16 . 1 . . . . 36 Ser CB . 25263 1 403 . 1 1 39 39 SER N N 15 112.706 0.055 . 1 . . . . 36 Ser N . 25263 1 404 . 1 1 40 40 ALA H H 1 7.365 0.008 . 1 . . . . 37 Ala H . 25263 1 405 . 1 1 40 40 ALA HA H 1 4.467 0.008 . 1 . . . . 37 Ala HA . 25263 1 406 . 1 1 40 40 ALA HB1 H 1 1.404 0.008 . 1 . . . . 37 Ala HB1 . 25263 1 407 . 1 1 40 40 ALA HB2 H 1 1.404 0.008 . 1 . . . . 37 Ala HB2 . 25263 1 408 . 1 1 40 40 ALA HB3 H 1 1.404 0.008 . 1 . . . . 37 Ala HB3 . 25263 1 409 . 1 1 40 40 ALA C C 13 173.155 0.16 . 1 . . . . 37 Ala C . 25263 1 410 . 1 1 40 40 ALA CA C 13 50.757 0.16 . 1 . . . . 37 Ala CA . 25263 1 411 . 1 1 40 40 ALA CB C 13 21.667 0.16 . 1 . . . . 37 Ala CB . 25263 1 412 . 1 1 40 40 ALA N N 15 121.280 0.055 . 1 . . . . 37 Ala N . 25263 1 413 . 1 1 41 41 SER H H 1 8.169 0.008 . 1 . . . . 38 Ser H . 25263 1 414 . 1 1 41 41 SER HA H 1 4.579 0.008 . 1 . . . . 38 Ser HA . 25263 1 415 . 1 1 41 41 SER HB2 H 1 3.964 0.008 . 2 . . . . 38 Ser HB2 . 25263 1 416 . 1 1 41 41 SER HB3 H 1 3.932 0.008 . 2 . . . . 38 Ser HB3 . 25263 1 417 . 1 1 41 41 SER C C 13 171.520 0.16 . 1 . . . . 38 Ser C . 25263 1 418 . 1 1 41 41 SER CA C 13 58.247 0.16 . 1 . . . . 38 Ser CA . 25263 1 419 . 1 1 41 41 SER CB C 13 63.136 0.16 . 1 . . . . 38 Ser CB . 25263 1 420 . 1 1 41 41 SER N N 15 112.431 0.055 . 1 . . . . 38 Ser N . 25263 1 421 . 1 1 42 42 GLY H H 1 8.723 0.008 . 1 . . . . 39 Gly H . 25263 1 422 . 1 1 42 42 GLY HA2 H 1 3.593 0.008 . 1 . . . . 39 Gly HA2 . 25263 1 423 . 1 1 42 42 GLY HA3 H 1 3.593 0.008 . 1 . . . . 39 Gly HA3 . 25263 1 424 . 1 1 42 42 GLY C C 13 172.900 0.16 . 1 . . . . 39 Gly C . 25263 1 425 . 1 1 42 42 GLY CA C 13 45.614 0.16 . 1 . . . . 39 Gly CA . 25263 1 426 . 1 1 42 42 GLY N N 15 108.700 0.055 . 1 . . . . 39 Gly N . 25263 1 427 . 1 1 43 43 LEU H H 1 8.754 0.008 . 1 . . . . 40 Leu H . 25263 1 428 . 1 1 43 43 LEU HA H 1 4.444 0.008 . 1 . . . . 40 Leu HA . 25263 1 429 . 1 1 43 43 LEU HB2 H 1 1.739 0.008 . 1 . . . . 40 Leu HB2 . 25263 1 430 . 1 1 43 43 LEU HB3 H 1 1.739 0.008 . 1 . . . . 40 Leu HB3 . 25263 1 431 . 1 1 43 43 LEU HG H 1 1.479 0.008 . 1 . . . . 40 Leu HG . 25263 1 432 . 1 1 43 43 LEU HD11 H 1 0.631 0.008 . 2 . . . . 40 Leu HD11 . 25263 1 433 . 1 1 43 43 LEU HD12 H 1 0.631 0.008 . 2 . . . . 40 Leu HD12 . 25263 1 434 . 1 1 43 43 LEU HD13 H 1 0.631 0.008 . 2 . . . . 40 Leu HD13 . 25263 1 435 . 1 1 43 43 LEU HD21 H 1 0.444 0.008 . 2 . . . . 40 Leu HD21 . 25263 1 436 . 1 1 43 43 LEU HD22 H 1 0.444 0.008 . 2 . . . . 40 Leu HD22 . 25263 1 437 . 1 1 43 43 LEU HD23 H 1 0.444 0.008 . 2 . . . . 40 Leu HD23 . 25263 1 438 . 1 1 43 43 LEU C C 13 174.169 0.16 . 1 . . . . 40 Leu C . 25263 1 439 . 1 1 43 43 LEU CA C 13 55.306 0.16 . 1 . . . . 40 Leu CA . 25263 1 440 . 1 1 43 43 LEU CB C 13 42.296 0.16 . 1 . . . . 40 Leu CB . 25263 1 441 . 1 1 43 43 LEU CG C 13 26.837 0.16 . 1 . . . . 40 Leu CG . 25263 1 442 . 1 1 43 43 LEU CD1 C 13 22.837 0.16 . 2 . . . . 40 Leu CD1 . 25263 1 443 . 1 1 43 43 LEU CD2 C 13 25.641 0.16 . 2 . . . . 40 Leu CD2 . 25263 1 444 . 1 1 43 43 LEU N N 15 122.492 0.055 . 1 . . . . 40 Leu N . 25263 1 445 . 1 1 44 44 GLN H H 1 9.097 0.008 . 1 . . . . 41 Gln H . 25263 1 446 . 1 1 44 44 GLN HA H 1 4.699 0.008 . 1 . . . . 41 Gln HA . 25263 1 447 . 1 1 44 44 GLN HB2 H 1 2.071 0.008 . 2 . . . . 41 Gln HB2 . 25263 1 448 . 1 1 44 44 GLN HB3 H 1 2.096 0.008 . 2 . . . . 41 Gln HB3 . 25263 1 449 . 1 1 44 44 GLN HG2 H 1 2.344 0.008 . 2 . . . . 41 Gln HG2 . 25263 1 450 . 1 1 44 44 GLN HG3 H 1 2.382 0.008 . 2 . . . . 41 Gln HG3 . 25263 1 451 . 1 1 44 44 GLN HE21 H 1 6.789 0.008 . 1 . . . . 41 Gln HE21 . 25263 1 452 . 1 1 44 44 GLN HE22 H 1 7.602 0.008 . 1 . . . . 41 Gln HE22 . 25263 1 453 . 1 1 44 44 GLN C C 13 173.386 0.16 . 1 . . . . 41 Gln C . 25263 1 454 . 1 1 44 44 GLN CA C 13 52.948 0.16 . 1 . . . . 41 Gln CA . 25263 1 455 . 1 1 44 44 GLN CB C 13 31.957 0.16 . 1 . . . . 41 Gln CB . 25263 1 456 . 1 1 44 44 GLN CG C 13 33.217 0.16 . 1 . . . . 41 Gln CG . 25263 1 457 . 1 1 44 44 GLN N N 15 119.367 0.055 . 1 . . . . 41 Gln N . 25263 1 458 . 1 1 44 44 GLN NE2 N 15 112.236 0.055 . 1 . . . . 41 Gln NE2 . 25263 1 459 . 1 1 45 45 VAL H H 1 8.602 0.008 . 1 . . . . 42 Val H . 25263 1 460 . 1 1 45 45 VAL HA H 1 3.204 0.008 . 1 . . . . 42 Val HA . 25263 1 461 . 1 1 45 45 VAL HB H 1 1.911 0.008 . 1 . . . . 42 Val HB . 25263 1 462 . 1 1 45 45 VAL HG21 H 1 1.063 0.008 . 1 . . . . 42 Val HG21 . 25263 1 463 . 1 1 45 45 VAL HG22 H 1 1.063 0.008 . 1 . . . . 42 Val HG22 . 25263 1 464 . 1 1 45 45 VAL HG23 H 1 1.063 0.008 . 1 . . . . 42 Val HG23 . 25263 1 465 . 1 1 45 45 VAL C C 13 175.386 0.16 . 1 . . . . 42 Val C . 25263 1 466 . 1 1 45 45 VAL CA C 13 65.814 0.16 . 1 . . . . 42 Val CA . 25263 1 467 . 1 1 45 45 VAL CB C 13 30.813 0.16 . 1 . . . . 42 Val CB . 25263 1 468 . 1 1 45 45 VAL CG1 C 13 20.657 0.16 . 2 . . . . 42 Val CG1 . 25263 1 469 . 1 1 45 45 VAL CG2 C 13 22.576 0.16 . 2 . . . . 42 Val CG2 . 25263 1 470 . 1 1 45 45 VAL N N 15 121.229 0.055 . 1 . . . . 42 Val N . 25263 1 471 . 1 1 46 46 GLY H H 1 8.804 0.008 . 1 . . . . 43 Gly H . 25263 1 472 . 1 1 46 46 GLY HA2 H 1 4.341 0.008 . 1 . . . . 43 Gly HA2 . 25263 1 473 . 1 1 46 46 GLY HA3 H 1 4.341 0.008 . 1 . . . . 43 Gly HA3 . 25263 1 474 . 1 1 46 46 GLY C C 13 173.006 0.16 . 1 . . . . 43 Gly C . 25263 1 475 . 1 1 46 46 GLY CA C 13 44.330 0.16 . 1 . . . . 43 Gly CA . 25263 1 476 . 1 1 46 46 GLY N N 15 116.232 0.055 . 1 . . . . 43 Gly N . 25263 1 477 . 1 1 47 47 ASP H H 1 8.459 0.008 . 1 . . . . 44 Asp H . 25263 1 478 . 1 1 47 47 ASP HA H 1 4.673 0.008 . 1 . . . . 44 Asp HA . 25263 1 479 . 1 1 47 47 ASP HB2 H 1 2.532 0.008 . 2 . . . . 44 Asp HB2 . 25263 1 480 . 1 1 47 47 ASP HB3 H 1 2.967 0.008 . 2 . . . . 44 Asp HB3 . 25263 1 481 . 1 1 47 47 ASP C C 13 174.100 0.16 . 1 . . . . 44 Asp C . 25263 1 482 . 1 1 47 47 ASP CA C 13 55.475 0.16 . 1 . . . . 44 Asp CA . 25263 1 483 . 1 1 47 47 ASP CB C 13 41.406 0.16 . 1 . . . . 44 Asp CB . 25263 1 484 . 1 1 47 47 ASP N N 15 122.891 0.055 . 1 . . . . 44 Asp N . 25263 1 485 . 1 1 48 48 ALA H H 1 8.843 0.008 . 1 . . . . 45 Ala H . 25263 1 486 . 1 1 48 48 ALA HA H 1 5.766 0.008 . 1 . . . . 45 Ala HA . 25263 1 487 . 1 1 48 48 ALA HB1 H 1 1.317 0.008 . 1 . . . . 45 Ala HB1 . 25263 1 488 . 1 1 48 48 ALA HB2 H 1 1.317 0.008 . 1 . . . . 45 Ala HB2 . 25263 1 489 . 1 1 48 48 ALA HB3 H 1 1.317 0.008 . 1 . . . . 45 Ala HB3 . 25263 1 490 . 1 1 48 48 ALA C C 13 174.422 0.16 . 1 . . . . 45 Ala C . 25263 1 491 . 1 1 48 48 ALA CA C 13 49.163 0.16 . 1 . . . . 45 Ala CA . 25263 1 492 . 1 1 48 48 ALA CB C 13 20.948 0.16 . 1 . . . . 45 Ala CB . 25263 1 493 . 1 1 48 48 ALA N N 15 123.105 0.055 . 1 . . . . 45 Ala N . 25263 1 494 . 1 1 49 49 PHE H H 1 9.520 0.008 . 1 . . . . 46 Phe H . 25263 1 495 . 1 1 49 49 PHE HA H 1 5.899 0.008 . 1 . . . . 46 Phe HA . 25263 1 496 . 1 1 49 49 PHE HB2 H 1 2.778 0.008 . 2 . . . . 46 Phe HB2 . 25263 1 497 . 1 1 49 49 PHE HB3 H 1 2.806 0.008 . 2 . . . . 46 Phe HB3 . 25263 1 498 . 1 1 49 49 PHE HD1 H 1 6.997 0.008 . 3 . . . . 46 Phe HD1 . 25263 1 499 . 1 1 49 49 PHE HD2 H 1 6.997 0.008 . 3 . . . . 46 Phe HD2 . 25263 1 500 . 1 1 49 49 PHE HE1 H 1 6.822 0.008 . 3 . . . . 46 Phe HE1 . 25263 1 501 . 1 1 49 49 PHE HE2 H 1 6.822 0.008 . 3 . . . . 46 Phe HE2 . 25263 1 502 . 1 1 49 49 PHE HZ H 1 6.908 0.008 . 1 . . . . 46 Phe HZ . 25263 1 503 . 1 1 49 49 PHE C C 13 170.156 0.16 . 1 . . . . 46 Phe C . 25263 1 504 . 1 1 49 49 PHE CA C 13 55.455 0.16 . 1 . . . . 46 Phe CA . 25263 1 505 . 1 1 49 49 PHE CB C 13 42.726 0.16 . 1 . . . . 46 Phe CB . 25263 1 506 . 1 1 49 49 PHE N N 15 117.929 0.055 . 1 . . . . 46 Phe N . 25263 1 507 . 1 1 50 50 THR H H 1 9.192 0.008 . 1 . . . . 47 Thr H . 25263 1 508 . 1 1 50 50 THR HA H 1 5.092 0.008 . 1 . . . . 47 Thr HA . 25263 1 509 . 1 1 50 50 THR HB H 1 4.506 0.008 . 1 . . . . 47 Thr HB . 25263 1 510 . 1 1 50 50 THR C C 13 171.313 0.16 . 1 . . . . 47 Thr C . 25263 1 511 . 1 1 50 50 THR CA C 13 58.787 0.16 . 1 . . . . 47 Thr CA . 25263 1 512 . 1 1 50 50 THR CB C 13 70.932 0.16 . 1 . . . . 47 Thr CB . 25263 1 513 . 1 1 50 50 THR CG2 C 13 21.344 0.16 . 1 . . . . 47 Thr CG2 . 25263 1 514 . 1 1 50 50 THR N N 15 108.998 0.055 . 1 . . . . 47 Thr N . 25263 1 515 . 1 1 51 51 ILE H H 1 10.983 0.008 . 1 . . . . 48 Ile H . 25263 1 516 . 1 1 51 51 ILE HA H 1 4.624 0.008 . 1 . . . . 48 Ile HA . 25263 1 517 . 1 1 51 51 ILE HB H 1 1.660 0.008 . 1 . . . . 48 Ile HB . 25263 1 518 . 1 1 51 51 ILE HG12 H 1 0.929 0.008 . 2 . . . . 48 Ile HG12 . 25263 1 519 . 1 1 51 51 ILE HG13 H 1 0.878 0.008 . 2 . . . . 48 Ile HG13 . 25263 1 520 . 1 1 51 51 ILE HG21 H 1 0.979 0.008 . 1 . . . . 48 Ile HG21 . 25263 1 521 . 1 1 51 51 ILE HG22 H 1 0.979 0.008 . 1 . . . . 48 Ile HG22 . 25263 1 522 . 1 1 51 51 ILE HG23 H 1 0.979 0.008 . 1 . . . . 48 Ile HG23 . 25263 1 523 . 1 1 51 51 ILE HD11 H 1 0.574 0.008 . 1 . . . . 48 Ile HD11 . 25263 1 524 . 1 1 51 51 ILE HD12 H 1 0.574 0.008 . 1 . . . . 48 Ile HD12 . 25263 1 525 . 1 1 51 51 ILE HD13 H 1 0.574 0.008 . 1 . . . . 48 Ile HD13 . 25263 1 526 . 1 1 51 51 ILE C C 13 173.958 0.16 . 1 . . . . 48 Ile C . 25263 1 527 . 1 1 51 51 ILE CA C 13 60.015 0.16 . 1 . . . . 48 Ile CA . 25263 1 528 . 1 1 51 51 ILE CB C 13 40.234 0.16 . 1 . . . . 48 Ile CB . 25263 1 529 . 1 1 51 51 ILE CG1 C 13 26.766 0.16 . 1 . . . . 48 Ile CG1 . 25263 1 530 . 1 1 51 51 ILE CG2 C 13 18.673 0.16 . 1 . . . . 48 Ile CG2 . 25263 1 531 . 1 1 51 51 ILE CD1 C 13 13.339 0.16 . 1 . . . . 48 Ile CD1 . 25263 1 532 . 1 1 51 51 ILE N N 15 122.678 0.055 . 1 . . . . 48 Ile N . 25263 1 533 . 1 1 52 52 ALA H H 1 8.672 0.008 . 1 . . . . 49 Ala H . 25263 1 534 . 1 1 52 52 ALA HA H 1 4.127 0.008 . 1 . . . . 49 Ala HA . 25263 1 535 . 1 1 52 52 ALA HB1 H 1 1.508 0.008 . 1 . . . . 49 Ala HB1 . 25263 1 536 . 1 1 52 52 ALA HB2 H 1 1.508 0.008 . 1 . . . . 49 Ala HB2 . 25263 1 537 . 1 1 52 52 ALA HB3 H 1 1.508 0.008 . 1 . . . . 49 Ala HB3 . 25263 1 538 . 1 1 52 52 ALA C C 13 176.283 0.16 . 1 . . . . 49 Ala C . 25263 1 539 . 1 1 52 52 ALA CA C 13 53.555 0.16 . 1 . . . . 49 Ala CA . 25263 1 540 . 1 1 52 52 ALA CB C 13 18.779 0.16 . 1 . . . . 49 Ala CB . 25263 1 541 . 1 1 52 52 ALA N N 15 130.176 0.055 . 1 . . . . 49 Ala N . 25263 1 542 . 1 1 53 53 GLY H H 1 8.464 0.008 . 1 . . . . 50 Gly H . 25263 1 543 . 1 1 53 53 GLY HA2 H 1 4.490 0.008 . 2 . . . . 50 Gly HA2 . 25263 1 544 . 1 1 53 53 GLY HA3 H 1 4.533 0.008 . 2 . . . . 50 Gly HA3 . 25263 1 545 . 1 1 53 53 GLY C C 13 172.056 0.16 . 1 . . . . 50 Gly C . 25263 1 546 . 1 1 53 53 GLY CA C 13 45.638 0.16 . 1 . . . . 50 Gly CA . 25263 1 547 . 1 1 53 53 GLY N N 15 108.375 0.055 . 1 . . . . 50 Gly N . 25263 1 548 . 1 1 54 54 VAL H H 1 7.852 0.008 . 1 . . . . 51 Val H . 25263 1 549 . 1 1 54 54 VAL HA H 1 4.594 0.008 . 1 . . . . 51 Val HA . 25263 1 550 . 1 1 54 54 VAL HB H 1 2.503 0.008 . 1 . . . . 51 Val HB . 25263 1 551 . 1 1 54 54 VAL HG11 H 1 1.214 0.008 . 2 . . . . 51 Val HG11 . 25263 1 552 . 1 1 54 54 VAL HG12 H 1 1.214 0.008 . 2 . . . . 51 Val HG12 . 25263 1 553 . 1 1 54 54 VAL HG13 H 1 1.214 0.008 . 2 . . . . 51 Val HG13 . 25263 1 554 . 1 1 54 54 VAL HG21 H 1 0.794 0.008 . 2 . . . . 51 Val HG21 . 25263 1 555 . 1 1 54 54 VAL HG22 H 1 0.794 0.008 . 2 . . . . 51 Val HG22 . 25263 1 556 . 1 1 54 54 VAL HG23 H 1 0.794 0.008 . 2 . . . . 51 Val HG23 . 25263 1 557 . 1 1 54 54 VAL C C 13 173.030 0.16 . 1 . . . . 51 Val C . 25263 1 558 . 1 1 54 54 VAL CA C 13 61.655 0.16 . 1 . . . . 51 Val CA . 25263 1 559 . 1 1 54 54 VAL CB C 13 31.157 0.16 . 1 . . . . 51 Val CB . 25263 1 560 . 1 1 54 54 VAL CG1 C 13 19.972 0.16 . 2 . . . . 51 Val CG1 . 25263 1 561 . 1 1 54 54 VAL CG2 C 13 20.579 0.16 . 2 . . . . 51 Val CG2 . 25263 1 562 . 1 1 54 54 VAL N N 15 122.762 0.055 . 1 . . . . 51 Val N . 25263 1 563 . 1 1 55 55 ASN H H 1 9.581 0.008 . 1 . . . . 52 Asn H . 25263 1 564 . 1 1 55 55 ASN HA H 1 5.406 0.008 . 1 . . . . 52 Asn HA . 25263 1 565 . 1 1 55 55 ASN HB2 H 1 2.669 0.008 . 1 . . . . 52 Asn HB2 . 25263 1 566 . 1 1 55 55 ASN HB3 H 1 2.669 0.008 . 1 . . . . 52 Asn HB3 . 25263 1 567 . 1 1 55 55 ASN HD21 H 1 6.506 0.008 . 1 . . . . 52 Asn HD21 . 25263 1 568 . 1 1 55 55 ASN HD22 H 1 7.853 0.008 . 1 . . . . 52 Asn HD22 . 25263 1 569 . 1 1 55 55 ASN C C 13 173.020 0.16 . 1 . . . . 52 Asn C . 25263 1 570 . 1 1 55 55 ASN CA C 13 51.647 0.16 . 1 . . . . 52 Asn CA . 25263 1 571 . 1 1 55 55 ASN CB C 13 39.734 0.16 . 1 . . . . 52 Asn CB . 25263 1 572 . 1 1 55 55 ASN N N 15 128.010 0.055 . 1 . . . . 52 Asn N . 25263 1 573 . 1 1 55 55 ASN ND2 N 15 112.911 0.055 . 1 . . . . 52 Asn ND2 . 25263 1 574 . 1 1 56 56 SER H H 1 8.552 0.008 . 1 . . . . 53 Ser H . 25263 1 575 . 1 1 56 56 SER HA H 1 4.927 0.008 . 1 . . . . 53 Ser HA . 25263 1 576 . 1 1 56 56 SER HB2 H 1 3.939 0.008 . 2 . . . . 53 Ser HB2 . 25263 1 577 . 1 1 56 56 SER HB3 H 1 3.965 0.008 . 2 . . . . 53 Ser HB3 . 25263 1 578 . 1 1 56 56 SER C C 13 172.588 0.16 . 1 . . . . 53 Ser C . 25263 1 579 . 1 1 56 56 SER CA C 13 57.849 0.16 . 1 . . . . 53 Ser CA . 25263 1 580 . 1 1 56 56 SER CB C 13 64.329 0.16 . 1 . . . . 53 Ser CB . 25263 1 581 . 1 1 56 56 SER N N 15 113.734 0.055 . 1 . . . . 53 Ser N . 25263 1 582 . 1 1 57 57 VAL H H 1 7.177 0.008 . 1 . . . . 54 Val H . 25263 1 583 . 1 1 57 57 VAL HA H 1 5.023 0.008 . 1 . . . . 54 Val HA . 25263 1 584 . 1 1 57 57 VAL HB H 1 1.674 0.008 . 1 . . . . 54 Val HB . 25263 1 585 . 1 1 57 57 VAL HG11 H 1 0.611 0.008 . 2 . . . . 54 Val HG11 . 25263 1 586 . 1 1 57 57 VAL HG12 H 1 0.611 0.008 . 2 . . . . 54 Val HG12 . 25263 1 587 . 1 1 57 57 VAL HG13 H 1 0.611 0.008 . 2 . . . . 54 Val HG13 . 25263 1 588 . 1 1 57 57 VAL HG21 H 1 0.347 0.008 . 2 . . . . 54 Val HG21 . 25263 1 589 . 1 1 57 57 VAL HG22 H 1 0.347 0.008 . 2 . . . . 54 Val HG22 . 25263 1 590 . 1 1 57 57 VAL HG23 H 1 0.347 0.008 . 2 . . . . 54 Val HG23 . 25263 1 591 . 1 1 57 57 VAL C C 13 173.867 0.16 . 1 . . . . 54 Val C . 25263 1 592 . 1 1 57 57 VAL CA C 13 57.842 0.16 . 1 . . . . 54 Val CA . 25263 1 593 . 1 1 57 57 VAL CB C 13 33.781 0.16 . 1 . . . . 54 Val CB . 25263 1 594 . 1 1 57 57 VAL CG1 C 13 20.118 0.16 . 2 . . . . 54 Val CG1 . 25263 1 595 . 1 1 57 57 VAL CG2 C 13 17.089 0.16 . 2 . . . . 54 Val CG2 . 25263 1 596 . 1 1 57 57 VAL N N 15 110.904 0.055 . 1 . . . . 54 Val N . 25263 1 597 . 1 1 58 58 HIS H H 1 8.740 0.008 . 1 . . . . 55 His H . 25263 1 598 . 1 1 58 58 HIS HA H 1 4.260 0.008 . 1 . . . . 55 His HA . 25263 1 599 . 1 1 58 58 HIS HB2 H 1 3.423 0.008 . 2 . . . . 55 His HB2 . 25263 1 600 . 1 1 58 58 HIS HB3 H 1 3.406 0.008 . 2 . . . . 55 His HB3 . 25263 1 601 . 1 1 58 58 HIS HD1 H 1 7.244 0.008 . 1 . . . . 55 His HD1 . 25263 1 602 . 1 1 58 58 HIS HD2 H 1 7.240 0.008 . 1 . . . . 55 His HD2 . 25263 1 603 . 1 1 58 58 HIS HE1 H 1 8.487 0.008 . 1 . . . . 55 His HE1 . 25263 1 604 . 1 1 58 58 HIS HE2 H 1 8.387 0.008 . 1 . . . . 55 His HE2 . 25263 1 605 . 1 1 58 58 HIS C C 13 175.611 0.16 . 1 . . . . 55 His C . 25263 1 606 . 1 1 58 58 HIS CA C 13 57.296 0.16 . 1 . . . . 55 His CA . 25263 1 607 . 1 1 58 58 HIS CB C 13 30.362 0.16 . 1 . . . . 55 His CB . 25263 1 608 . 1 1 58 58 HIS N N 15 122.508 0.055 . 1 . . . . 55 His N . 25263 1 609 . 1 1 59 59 GLN H H 1 8.783 0.008 . 1 . . . . 56 Gln H . 25263 1 610 . 1 1 59 59 GLN HA H 1 4.075 0.008 . 1 . . . . 56 Gln HA . 25263 1 611 . 1 1 59 59 GLN HB2 H 1 2.137 0.008 . 1 . . . . 56 Gln HB2 . 25263 1 612 . 1 1 59 59 GLN HB3 H 1 2.137 0.008 . 1 . . . . 56 Gln HB3 . 25263 1 613 . 1 1 59 59 GLN HG2 H 1 2.500 0.008 . 2 . . . . 56 Gln HG2 . 25263 1 614 . 1 1 59 59 GLN HG3 H 1 2.503 0.008 . 2 . . . . 56 Gln HG3 . 25263 1 615 . 1 1 59 59 GLN HE21 H 1 6.821 0.008 . 1 . . . . 56 Gln HE21 . 25263 1 616 . 1 1 59 59 GLN HE22 H 1 7.610 0.008 . 1 . . . . 56 Gln HE22 . 25263 1 617 . 1 1 59 59 GLN C C 13 175.255 0.16 . 1 . . . . 56 Gln C . 25263 1 618 . 1 1 59 59 GLN CA C 13 58.686 0.16 . 1 . . . . 56 Gln CA . 25263 1 619 . 1 1 59 59 GLN CB C 13 28.737 0.16 . 1 . . . . 56 Gln CB . 25263 1 620 . 1 1 59 59 GLN CG C 13 33.305 0.16 . 1 . . . . 56 Gln CG . 25263 1 621 . 1 1 59 59 GLN N N 15 124.414 0.055 . 1 . . . . 56 Gln N . 25263 1 622 . 1 1 59 59 GLN NE2 N 15 111.633 0.055 . 1 . . . . 56 Gln NE2 . 25263 1 623 . 1 1 60 60 ILE H H 1 9.172 0.008 . 1 . . . . 57 Ile H . 25263 1 624 . 1 1 60 60 ILE HA H 1 4.205 0.008 . 1 . . . . 57 Ile HA . 25263 1 625 . 1 1 60 60 ILE HB H 1 2.228 0.008 . 1 . . . . 57 Ile HB . 25263 1 626 . 1 1 60 60 ILE HG12 H 1 1.374 0.008 . 2 . . . . 57 Ile HG12 . 25263 1 627 . 1 1 60 60 ILE HG13 H 1 1.384 0.008 . 2 . . . . 57 Ile HG13 . 25263 1 628 . 1 1 60 60 ILE HG21 H 1 0.986 0.008 . 1 . . . . 57 Ile HG21 . 25263 1 629 . 1 1 60 60 ILE HG22 H 1 0.986 0.008 . 1 . . . . 57 Ile HG22 . 25263 1 630 . 1 1 60 60 ILE HG23 H 1 0.986 0.008 . 1 . . . . 57 Ile HG23 . 25263 1 631 . 1 1 60 60 ILE HD11 H 1 0.948 0.008 . 1 . . . . 57 Ile HD11 . 25263 1 632 . 1 1 60 60 ILE HD12 H 1 0.948 0.008 . 1 . . . . 57 Ile HD12 . 25263 1 633 . 1 1 60 60 ILE HD13 H 1 0.948 0.008 . 1 . . . . 57 Ile HD13 . 25263 1 634 . 1 1 60 60 ILE C C 13 176.045 0.16 . 1 . . . . 57 Ile C . 25263 1 635 . 1 1 60 60 ILE CA C 13 62.486 0.16 . 1 . . . . 57 Ile CA . 25263 1 636 . 1 1 60 60 ILE CB C 13 37.504 0.16 . 1 . . . . 57 Ile CB . 25263 1 637 . 1 1 60 60 ILE CG1 C 13 26.992 0.16 . 1 . . . . 57 Ile CG1 . 25263 1 638 . 1 1 60 60 ILE CG2 C 13 16.744 0.16 . 1 . . . . 57 Ile CG2 . 25263 1 639 . 1 1 60 60 ILE CD1 C 13 10.990 0.16 . 1 . . . . 57 Ile CD1 . 25263 1 640 . 1 1 60 60 ILE N N 15 117.869 0.055 . 1 . . . . 57 Ile N . 25263 1 641 . 1 1 61 61 THR H H 1 8.297 0.008 . 1 . . . . 58 Thr H . 25263 1 642 . 1 1 61 61 THR HA H 1 4.099 0.008 . 1 . . . . 58 Thr HA . 25263 1 643 . 1 1 61 61 THR HB H 1 4.291 0.008 . 1 . . . . 58 Thr HB . 25263 1 644 . 1 1 61 61 THR HG21 H 1 1.159 0.008 . 1 . . . . 58 Thr HG21 . 25263 1 645 . 1 1 61 61 THR HG22 H 1 1.159 0.008 . 1 . . . . 58 Thr HG22 . 25263 1 646 . 1 1 61 61 THR HG23 H 1 1.159 0.008 . 1 . . . . 58 Thr HG23 . 25263 1 647 . 1 1 61 61 THR C C 13 173.954 0.16 . 1 . . . . 58 Thr C . 25263 1 648 . 1 1 61 61 THR CA C 13 62.528 0.16 . 1 . . . . 58 Thr CA . 25263 1 649 . 1 1 61 61 THR CB C 13 69.029 0.16 . 1 . . . . 58 Thr CB . 25263 1 650 . 1 1 61 61 THR CG2 C 13 20.436 0.16 . 1 . . . . 58 Thr CG2 . 25263 1 651 . 1 1 61 61 THR N N 15 109.967 0.055 . 1 . . . . 58 Thr N . 25263 1 652 . 1 1 62 62 LYS H H 1 7.935 0.008 . 1 . . . . 59 Lys H . 25263 1 653 . 1 1 62 62 LYS HA H 1 3.964 0.008 . 1 . . . . 59 Lys HA . 25263 1 654 . 1 1 62 62 LYS HB2 H 1 1.980 0.008 . 2 . . . . 59 Lys HB2 . 25263 1 655 . 1 1 62 62 LYS HB3 H 1 2.303 0.008 . 2 . . . . 59 Lys HB3 . 25263 1 656 . 1 1 62 62 LYS HG2 H 1 1.523 0.008 . 1 . . . . 59 Lys HG2 . 25263 1 657 . 1 1 62 62 LYS HG3 H 1 1.523 0.008 . 1 . . . . 59 Lys HG3 . 25263 1 658 . 1 1 62 62 LYS HD2 H 1 1.778 0.008 . 1 . . . . 59 Lys HD2 . 25263 1 659 . 1 1 62 62 LYS HD3 H 1 1.778 0.008 . 1 . . . . 59 Lys HD3 . 25263 1 660 . 1 1 62 62 LYS HE2 H 1 2.972 0.008 . 1 . . . . 59 Lys HE2 . 25263 1 661 . 1 1 62 62 LYS HE3 H 1 2.972 0.008 . 1 . . . . 59 Lys HE3 . 25263 1 662 . 1 1 62 62 LYS C C 13 172.662 0.16 . 1 . . . . 59 Lys C . 25263 1 663 . 1 1 62 62 LYS CA C 13 55.909 0.16 . 1 . . . . 59 Lys CA . 25263 1 664 . 1 1 62 62 LYS CB C 13 28.591 0.16 . 1 . . . . 59 Lys CB . 25263 1 665 . 1 1 62 62 LYS CG C 13 23.709 0.16 . 1 . . . . 59 Lys CG . 25263 1 666 . 1 1 62 62 LYS CD C 13 27.600 0.16 . 1 . . . . 59 Lys CD . 25263 1 667 . 1 1 62 62 LYS CE C 13 42.640 0.16 . 1 . . . . 59 Lys CE . 25263 1 668 . 1 1 62 62 LYS N N 15 112.062 0.055 . 1 . . . . 59 Lys N . 25263 1 669 . 1 1 63 63 ASP H H 1 8.065 0.008 . 1 . . . . 60 Asp H . 25263 1 670 . 1 1 63 63 ASP HA H 1 4.756 0.008 . 1 . . . . 60 Asp HA . 25263 1 671 . 1 1 63 63 ASP HB2 H 1 2.542 0.008 . 1 . . . . 60 Asp HB2 . 25263 1 672 . 1 1 63 63 ASP HB3 H 1 2.542 0.008 . 1 . . . . 60 Asp HB3 . 25263 1 673 . 1 1 63 63 ASP C C 13 175.051 0.16 . 1 . . . . 60 Asp C . 25263 1 674 . 1 1 63 63 ASP CA C 13 53.133 0.16 . 1 . . . . 60 Asp CA . 25263 1 675 . 1 1 63 63 ASP CB C 13 40.683 0.16 . 1 . . . . 60 Asp CB . 25263 1 676 . 1 1 63 63 ASP N N 15 117.089 0.055 . 1 . . . . 60 Asp N . 25263 1 677 . 1 1 64 64 THR H H 1 8.644 0.008 . 1 . . . . 61 Thr H . 25263 1 678 . 1 1 64 64 THR HA H 1 4.486 0.008 . 1 . . . . 61 Thr HA . 25263 1 679 . 1 1 64 64 THR HB H 1 4.032 0.008 . 1 . . . . 61 Thr HB . 25263 1 680 . 1 1 64 64 THR HG21 H 1 1.095 0.008 . 1 . . . . 61 Thr HG21 . 25263 1 681 . 1 1 64 64 THR HG22 H 1 1.095 0.008 . 1 . . . . 61 Thr HG22 . 25263 1 682 . 1 1 64 64 THR HG23 H 1 1.095 0.008 . 1 . . . . 61 Thr HG23 . 25263 1 683 . 1 1 64 64 THR C C 13 172.537 0.16 . 1 . . . . 61 Thr C . 25263 1 684 . 1 1 64 64 THR CA C 13 61.681 0.16 . 1 . . . . 61 Thr CA . 25263 1 685 . 1 1 64 64 THR CB C 13 68.591 0.16 . 1 . . . . 61 Thr CB . 25263 1 686 . 1 1 64 64 THR CG2 C 13 20.897 0.16 . 1 . . . . 61 Thr CG2 . 25263 1 687 . 1 1 64 64 THR N N 15 115.682 0.055 . 1 . . . . 61 Thr N . 25263 1 688 . 1 1 65 65 THR H H 1 8.511 0.008 . 1 . . . . 62 Thr H . 25263 1 689 . 1 1 65 65 THR HA H 1 4.569 0.008 . 1 . . . . 62 Thr HA . 25263 1 690 . 1 1 65 65 THR HB H 1 4.325 0.008 . 1 . . . . 62 Thr HB . 25263 1 691 . 1 1 65 65 THR HG21 H 1 1.226 0.008 . 1 . . . . 62 Thr HG21 . 25263 1 692 . 1 1 65 65 THR HG22 H 1 1.226 0.008 . 1 . . . . 62 Thr HG22 . 25263 1 693 . 1 1 65 65 THR HG23 H 1 1.226 0.008 . 1 . . . . 62 Thr HG23 . 25263 1 694 . 1 1 65 65 THR C C 13 175.107 0.16 . 1 . . . . 62 Thr C . 25263 1 695 . 1 1 65 65 THR CA C 13 61.560 0.16 . 1 . . . . 62 Thr CA . 25263 1 696 . 1 1 65 65 THR CB C 13 69.973 0.16 . 1 . . . . 62 Thr CB . 25263 1 697 . 1 1 65 65 THR CG2 C 13 19.970 0.16 . 1 . . . . 62 Thr CG2 . 25263 1 698 . 1 1 65 65 THR N N 15 115.071 0.055 . 1 . . . . 62 Thr N . 25263 1 699 . 1 1 66 66 GLY H H 1 8.705 0.008 . 1 . . . . 63 Gly H . 25263 1 700 . 1 1 66 66 GLY HA2 H 1 3.780 0.008 . 2 . . . . 63 Gly HA2 . 25263 1 701 . 1 1 66 66 GLY HA3 H 1 3.910 0.008 . 2 . . . . 63 Gly HA3 . 25263 1 702 . 1 1 66 66 GLY C C 13 170.651 0.16 . 1 . . . . 63 Gly C . 25263 1 703 . 1 1 66 66 GLY CA C 13 44.995 0.16 . 1 . . . . 63 Gly CA . 25263 1 704 . 1 1 66 66 GLY N N 15 109.881 0.055 . 1 . . . . 63 Gly N . 25263 1 705 . 1 1 67 67 GLN H H 1 8.154 0.008 . 1 . . . . 64 Gln H . 25263 1 706 . 1 1 67 67 GLN HA H 1 4.888 0.008 . 1 . . . . 64 Gln HA . 25263 1 707 . 1 1 67 67 GLN HB2 H 1 2.019 0.008 . 1 . . . . 64 Gln HB2 . 25263 1 708 . 1 1 67 67 GLN HB3 H 1 2.019 0.008 . 1 . . . . 64 Gln HB3 . 25263 1 709 . 1 1 67 67 GLN HG2 H 1 2.322 0.008 . 1 . . . . 64 Gln HG2 . 25263 1 710 . 1 1 67 67 GLN HG3 H 1 2.322 0.008 . 1 . . . . 64 Gln HG3 . 25263 1 711 . 1 1 67 67 GLN HE21 H 1 6.843 0.008 . 1 . . . . 64 Gln HE21 . 25263 1 712 . 1 1 67 67 GLN HE22 H 1 7.481 0.008 . 1 . . . . 64 Gln HE22 . 25263 1 713 . 1 1 67 67 GLN C C 13 170.592 0.16 . 1 . . . . 64 Gln C . 25263 1 714 . 1 1 67 67 GLN CA C 13 51.459 0.16 . 1 . . . . 64 Gln CA . 25263 1 715 . 1 1 67 67 GLN CB C 13 29.434 0.16 . 1 . . . . 64 Gln CB . 25263 1 716 . 1 1 67 67 GLN CG C 13 32.444 0.16 . 1 . . . . 64 Gln CG . 25263 1 717 . 1 1 67 67 GLN N N 15 119.182 0.055 . 1 . . . . 64 Gln N . 25263 1 718 . 1 1 67 67 GLN NE2 N 15 112.268 0.055 . 1 . . . . 64 Gln NE2 . 25263 1 719 . 1 1 68 68 PRO HA H 1 4.587 0.008 . 1 . . . . 65 Pro HA . 25263 1 720 . 1 1 68 68 PRO HB2 H 1 1.892 0.008 . 1 . . . . 65 Pro HB2 . 25263 1 721 . 1 1 68 68 PRO HB3 H 1 1.892 0.008 . 1 . . . . 65 Pro HB3 . 25263 1 722 . 1 1 68 68 PRO HD2 H 1 3.981 0.008 . 2 . . . . 65 Pro HD2 . 25263 1 723 . 1 1 68 68 PRO HD3 H 1 3.964 0.008 . 2 . . . . 65 Pro HD3 . 25263 1 724 . 1 1 68 68 PRO C C 13 175.756 0.16 . 1 . . . . 65 Pro C . 25263 1 725 . 1 1 68 68 PRO CA C 13 62.490 0.16 . 1 . . . . 65 Pro CA . 25263 1 726 . 1 1 68 68 PRO CB C 13 32.013 0.16 . 1 . . . . 65 Pro CB . 25263 1 727 . 1 1 68 68 PRO CG C 13 27.309 0.16 . 1 . . . . 65 Pro CG . 25263 1 728 . 1 1 68 68 PRO CD C 13 50.139 0.16 . 1 . . . . 65 Pro CD . 25263 1 729 . 1 1 69 69 GLN H H 1 8.073 0.008 . 1 . . . . 66 Gln H . 25263 1 730 . 1 1 69 69 GLN HA H 1 3.990 0.008 . 1 . . . . 66 Gln HA . 25263 1 731 . 1 1 69 69 GLN HB2 H 1 1.765 0.008 . 1 . . . . 66 Gln HB2 . 25263 1 732 . 1 1 69 69 GLN HB3 H 1 1.765 0.008 . 1 . . . . 66 Gln HB3 . 25263 1 733 . 1 1 69 69 GLN HG2 H 1 1.770 0.008 . 1 . . . . 66 Gln HG2 . 25263 1 734 . 1 1 69 69 GLN HG3 H 1 1.770 0.008 . 1 . . . . 66 Gln HG3 . 25263 1 735 . 1 1 69 69 GLN HE21 H 1 6.946 0.008 . 1 . . . . 66 Gln HE21 . 25263 1 736 . 1 1 69 69 GLN HE22 H 1 7.928 0.008 . 1 . . . . 66 Gln HE22 . 25263 1 737 . 1 1 69 69 GLN C C 13 171.988 0.16 . 1 . . . . 66 Gln C . 25263 1 738 . 1 1 69 69 GLN CA C 13 54.168 0.16 . 1 . . . . 66 Gln CA . 25263 1 739 . 1 1 69 69 GLN CB C 13 28.307 0.16 . 1 . . . . 66 Gln CB . 25263 1 740 . 1 1 69 69 GLN CG C 13 32.400 0.16 . 1 . . . . 66 Gln CG . 25263 1 741 . 1 1 69 69 GLN N N 15 124.341 0.055 . 1 . . . . 66 Gln N . 25263 1 742 . 1 1 69 69 GLN NE2 N 15 112.077 0.055 . 1 . . . . 66 Gln NE2 . 25263 1 743 . 1 1 70 70 VAL H H 1 8.046 0.008 . 1 . . . . 67 Val H . 25263 1 744 . 1 1 70 70 VAL HA H 1 4.304 0.008 . 1 . . . . 67 Val HA . 25263 1 745 . 1 1 70 70 VAL HB H 1 1.752 0.008 . 1 . . . . 67 Val HB . 25263 1 746 . 1 1 70 70 VAL HG21 H 1 0.465 0.008 . 1 . . . . 67 Val HG21 . 25263 1 747 . 1 1 70 70 VAL HG22 H 1 0.465 0.008 . 1 . . . . 67 Val HG22 . 25263 1 748 . 1 1 70 70 VAL HG23 H 1 0.465 0.008 . 1 . . . . 67 Val HG23 . 25263 1 749 . 1 1 70 70 VAL C C 13 173.700 0.16 . 1 . . . . 67 Val C . 25263 1 750 . 1 1 70 70 VAL CA C 13 62.095 0.16 . 1 . . . . 67 Val CA . 25263 1 751 . 1 1 70 70 VAL CB C 13 31.530 0.16 . 1 . . . . 67 Val CB . 25263 1 752 . 1 1 70 70 VAL CG1 C 13 20.483 0.16 . 2 . . . . 67 Val CG1 . 25263 1 753 . 1 1 70 70 VAL CG2 C 13 21.255 0.16 . 2 . . . . 67 Val CG2 . 25263 1 754 . 1 1 70 70 VAL N N 15 126.903 0.055 . 1 . . . . 67 Val N . 25263 1 755 . 1 1 71 71 PHE H H 1 9.182 0.008 . 1 . . . . 68 Phe H . 25263 1 756 . 1 1 71 71 PHE HA H 1 5.055 0.008 . 1 . . . . 68 Phe HA . 25263 1 757 . 1 1 71 71 PHE HB3 H 1 2.269 0.008 . 1 . . . . 68 Phe HB3 . 25263 1 758 . 1 1 71 71 PHE HD1 H 1 7.026 0.008 . 3 . . . . 68 Phe HD1 . 25263 1 759 . 1 1 71 71 PHE HD2 H 1 7.026 0.008 . 3 . . . . 68 Phe HD2 . 25263 1 760 . 1 1 71 71 PHE HE1 H 1 7.186 0.008 . 3 . . . . 68 Phe HE1 . 25263 1 761 . 1 1 71 71 PHE HE2 H 1 7.186 0.008 . 3 . . . . 68 Phe HE2 . 25263 1 762 . 1 1 71 71 PHE HZ H 1 6.759 0.008 . 1 . . . . 68 Phe HZ . 25263 1 763 . 1 1 71 71 PHE C C 13 171.983 0.16 . 1 . . . . 68 Phe C . 25263 1 764 . 1 1 71 71 PHE CA C 13 56.087 0.16 . 1 . . . . 68 Phe CA . 25263 1 765 . 1 1 71 71 PHE CB C 13 42.203 0.16 . 1 . . . . 68 Phe CB . 25263 1 766 . 1 1 71 71 PHE N N 15 128.903 0.055 . 1 . . . . 68 Phe N . 25263 1 767 . 1 1 72 72 ARG H H 1 9.010 0.008 . 1 . . . . 69 Arg H . 25263 1 768 . 1 1 72 72 ARG HA H 1 5.505 0.008 . 1 . . . . 69 Arg HA . 25263 1 769 . 1 1 72 72 ARG HB2 H 1 1.751 0.008 . 1 . . . . 69 Arg HB2 . 25263 1 770 . 1 1 72 72 ARG HB3 H 1 1.751 0.008 . 1 . . . . 69 Arg HB3 . 25263 1 771 . 1 1 72 72 ARG HG2 H 1 1.668 0.008 . 1 . . . . 69 Arg HG2 . 25263 1 772 . 1 1 72 72 ARG HG3 H 1 1.668 0.008 . 1 . . . . 69 Arg HG3 . 25263 1 773 . 1 1 72 72 ARG HD2 H 1 3.214 0.008 . 1 . . . . 69 Arg HD2 . 25263 1 774 . 1 1 72 72 ARG HD3 H 1 3.214 0.008 . 1 . . . . 69 Arg HD3 . 25263 1 775 . 1 1 72 72 ARG C C 13 174.368 0.16 . 1 . . . . 69 Arg C . 25263 1 776 . 1 1 72 72 ARG CA C 13 53.100 0.16 . 1 . . . . 69 Arg CA . 25263 1 777 . 1 1 72 72 ARG CB C 13 32.877 0.16 . 1 . . . . 69 Arg CB . 25263 1 778 . 1 1 72 72 ARG CG C 13 27.126 0.16 . 1 . . . . 69 Arg CG . 25263 1 779 . 1 1 72 72 ARG CD C 13 41.931 0.16 . 1 . . . . 69 Arg CD . 25263 1 780 . 1 1 72 72 ARG N N 15 117.709 0.055 . 1 . . . . 69 Arg N . 25263 1 781 . 1 1 73 73 VAL H H 1 8.711 0.008 . 1 . . . . 70 Val H . 25263 1 782 . 1 1 73 73 VAL HA H 1 4.227 0.008 . 1 . . . . 70 Val HA . 25263 1 783 . 1 1 73 73 VAL HB H 1 2.429 0.008 . 1 . . . . 70 Val HB . 25263 1 784 . 1 1 73 73 VAL HG11 H 1 0.761 0.008 . 2 . . . . 70 Val HG11 . 25263 1 785 . 1 1 73 73 VAL HG12 H 1 0.761 0.008 . 2 . . . . 70 Val HG12 . 25263 1 786 . 1 1 73 73 VAL HG13 H 1 0.761 0.008 . 2 . . . . 70 Val HG13 . 25263 1 787 . 1 1 73 73 VAL HG21 H 1 1.221 0.008 . 2 . . . . 70 Val HG21 . 25263 1 788 . 1 1 73 73 VAL HG22 H 1 1.221 0.008 . 2 . . . . 70 Val HG22 . 25263 1 789 . 1 1 73 73 VAL HG23 H 1 1.221 0.008 . 2 . . . . 70 Val HG23 . 25263 1 790 . 1 1 73 73 VAL C C 13 174.971 0.16 . 1 . . . . 70 Val C . 25263 1 791 . 1 1 73 73 VAL CA C 13 62.507 0.16 . 1 . . . . 70 Val CA . 25263 1 792 . 1 1 73 73 VAL CB C 13 31.542 0.16 . 1 . . . . 70 Val CB . 25263 1 793 . 1 1 73 73 VAL CG1 C 13 22.797 0.16 . 2 . . . . 70 Val CG1 . 25263 1 794 . 1 1 73 73 VAL CG2 C 13 23.438 0.16 . 2 . . . . 70 Val CG2 . 25263 1 795 . 1 1 73 73 VAL N N 15 121.141 0.055 . 1 . . . . 70 Val N . 25263 1 796 . 1 1 74 74 LEU H H 1 9.510 0.008 . 1 . . . . 71 Leu H . 25263 1 797 . 1 1 74 74 LEU HA H 1 4.354 0.008 . 1 . . . . 71 Leu HA . 25263 1 798 . 1 1 74 74 LEU HB2 H 1 1.644 0.008 . 1 . . . . 71 Leu HB2 . 25263 1 799 . 1 1 74 74 LEU HB3 H 1 1.644 0.008 . 1 . . . . 71 Leu HB3 . 25263 1 800 . 1 1 74 74 LEU HG H 1 1.568 0.008 . 1 . . . . 71 Leu HG . 25263 1 801 . 1 1 74 74 LEU HD11 H 1 0.759 0.008 . 2 . . . . 71 Leu HD11 . 25263 1 802 . 1 1 74 74 LEU HD12 H 1 0.759 0.008 . 2 . . . . 71 Leu HD12 . 25263 1 803 . 1 1 74 74 LEU HD13 H 1 0.759 0.008 . 2 . . . . 71 Leu HD13 . 25263 1 804 . 1 1 74 74 LEU HD21 H 1 0.766 0.008 . 2 . . . . 71 Leu HD21 . 25263 1 805 . 1 1 74 74 LEU HD22 H 1 0.766 0.008 . 2 . . . . 71 Leu HD22 . 25263 1 806 . 1 1 74 74 LEU HD23 H 1 0.766 0.008 . 2 . . . . 71 Leu HD23 . 25263 1 807 . 1 1 74 74 LEU C C 13 174.744 0.16 . 1 . . . . 71 Leu C . 25263 1 808 . 1 1 74 74 LEU CA C 13 54.982 0.16 . 1 . . . . 71 Leu CA . 25263 1 809 . 1 1 74 74 LEU CB C 13 42.749 0.16 . 1 . . . . 71 Leu CB . 25263 1 810 . 1 1 74 74 LEU CG C 13 26.750 0.16 . 1 . . . . 71 Leu CG . 25263 1 811 . 1 1 74 74 LEU CD1 C 13 24.386 0.16 . 2 . . . . 71 Leu CD1 . 25263 1 812 . 1 1 74 74 LEU CD2 C 13 22.934 0.16 . 2 . . . . 71 Leu CD2 . 25263 1 813 . 1 1 74 74 LEU N N 15 130.160 0.055 . 1 . . . . 71 Leu N . 25263 1 814 . 1 1 75 75 ALA H H 1 7.814 0.008 . 1 . . . . 72 Ala H . 25263 1 815 . 1 1 75 75 ALA HA H 1 4.466 0.008 . 1 . . . . 72 Ala HA . 25263 1 816 . 1 1 75 75 ALA HB1 H 1 1.345 0.008 . 1 . . . . 72 Ala HB1 . 25263 1 817 . 1 1 75 75 ALA HB2 H 1 1.345 0.008 . 1 . . . . 72 Ala HB2 . 25263 1 818 . 1 1 75 75 ALA HB3 H 1 1.345 0.008 . 1 . . . . 72 Ala HB3 . 25263 1 819 . 1 1 75 75 ALA C C 13 172.275 0.16 . 1 . . . . 72 Ala C . 25263 1 820 . 1 1 75 75 ALA CA C 13 51.864 0.16 . 1 . . . . 72 Ala CA . 25263 1 821 . 1 1 75 75 ALA CB C 13 20.392 0.16 . 1 . . . . 72 Ala CB . 25263 1 822 . 1 1 75 75 ALA N N 15 118.816 0.055 . 1 . . . . 72 Ala N . 25263 1 823 . 1 1 76 76 VAL H H 1 8.653 0.008 . 1 . . . . 73 Val H . 25263 1 824 . 1 1 76 76 VAL HA H 1 4.600 0.008 . 1 . . . . 73 Val HA . 25263 1 825 . 1 1 76 76 VAL HB H 1 2.000 0.008 . 1 . . . . 73 Val HB . 25263 1 826 . 1 1 76 76 VAL HG11 H 1 0.892 0.008 . 2 . . . . 73 Val HG11 . 25263 1 827 . 1 1 76 76 VAL HG12 H 1 0.892 0.008 . 2 . . . . 73 Val HG12 . 25263 1 828 . 1 1 76 76 VAL HG13 H 1 0.892 0.008 . 2 . . . . 73 Val HG13 . 25263 1 829 . 1 1 76 76 VAL HG21 H 1 0.923 0.008 . 2 . . . . 73 Val HG21 . 25263 1 830 . 1 1 76 76 VAL HG22 H 1 0.923 0.008 . 2 . . . . 73 Val HG22 . 25263 1 831 . 1 1 76 76 VAL HG23 H 1 0.923 0.008 . 2 . . . . 73 Val HG23 . 25263 1 832 . 1 1 76 76 VAL C C 13 172.306 0.16 . 1 . . . . 73 Val C . 25263 1 833 . 1 1 76 76 VAL CA C 13 61.240 0.16 . 1 . . . . 73 Val CA . 25263 1 834 . 1 1 76 76 VAL CB C 13 35.011 0.16 . 1 . . . . 73 Val CB . 25263 1 835 . 1 1 76 76 VAL CG1 C 13 20.571 0.16 . 2 . . . . 73 Val CG1 . 25263 1 836 . 1 1 76 76 VAL CG2 C 13 20.938 0.16 . 2 . . . . 73 Val CG2 . 25263 1 837 . 1 1 76 76 VAL N N 15 118.278 0.055 . 1 . . . . 73 Val N . 25263 1 838 . 1 1 77 77 SER H H 1 8.387 0.008 . 1 . . . . 74 Ser H . 25263 1 839 . 1 1 77 77 SER HA H 1 4.610 0.008 . 1 . . . . 74 Ser HA . 25263 1 840 . 1 1 77 77 SER HB2 H 1 3.978 0.008 . 2 . . . . 74 Ser HB2 . 25263 1 841 . 1 1 77 77 SER HB3 H 1 4.012 0.008 . 2 . . . . 74 Ser HB3 . 25263 1 842 . 1 1 77 77 SER C C 13 172.799 0.16 . 1 . . . . 74 Ser C . 25263 1 843 . 1 1 77 77 SER CA C 13 56.021 0.16 . 1 . . . . 74 Ser CA . 25263 1 844 . 1 1 77 77 SER CB C 13 62.883 0.16 . 1 . . . . 74 Ser CB . 25263 1 845 . 1 1 77 77 SER N N 15 122.326 0.055 . 1 . . . . 74 Ser N . 25263 1 846 . 1 1 78 78 GLY H H 1 9.203 0.008 . 1 . . . . 75 Gly H . 25263 1 847 . 1 1 78 78 GLY HA3 H 1 4.209 0.008 . 1 . . . . 75 Gly HA3 . 25263 1 848 . 1 1 78 78 GLY C C 13 172.765 0.16 . 1 . . . . 75 Gly C . 25263 1 849 . 1 1 78 78 GLY CA C 13 46.997 0.16 . 1 . . . . 75 Gly CA . 25263 1 850 . 1 1 78 78 GLY N N 15 118.362 0.055 . 1 . . . . 75 Gly N . 25263 1 851 . 1 1 79 79 THR H H 1 8.503 0.008 . 1 . . . . 76 Thr H . 25263 1 852 . 1 1 79 79 THR HA H 1 4.079 0.008 . 1 . . . . 76 Thr HA . 25263 1 853 . 1 1 79 79 THR HB H 1 5.091 0.008 . 1 . . . . 76 Thr HB . 25263 1 854 . 1 1 79 79 THR C C 13 171.390 0.16 . 1 . . . . 76 Thr C . 25263 1 855 . 1 1 79 79 THR CA C 13 61.015 0.16 . 1 . . . . 76 Thr CA . 25263 1 856 . 1 1 79 79 THR CB C 13 67.819 0.16 . 1 . . . . 76 Thr CB . 25263 1 857 . 1 1 79 79 THR CG2 C 13 20.537 0.16 . 1 . . . . 76 Thr CG2 . 25263 1 858 . 1 1 79 79 THR N N 15 116.527 0.055 . 1 . . . . 76 Thr N . 25263 1 859 . 1 1 80 80 THR H H 1 8.328 0.008 . 1 . . . . 77 Thr H . 25263 1 860 . 1 1 80 80 THR HA H 1 4.913 0.008 . 1 . . . . 77 Thr HA . 25263 1 861 . 1 1 80 80 THR HB H 1 4.383 0.008 . 1 . . . . 77 Thr HB . 25263 1 862 . 1 1 80 80 THR C C 13 172.050 0.16 . 1 . . . . 77 Thr C . 25263 1 863 . 1 1 80 80 THR CA C 13 62.377 0.16 . 1 . . . . 77 Thr CA . 25263 1 864 . 1 1 80 80 THR CB C 13 68.523 0.16 . 1 . . . . 77 Thr CB . 25263 1 865 . 1 1 80 80 THR CG2 C 13 20.935 0.16 . 1 . . . . 77 Thr CG2 . 25263 1 866 . 1 1 80 80 THR N N 15 118.369 0.055 . 1 . . . . 77 Thr N . 25263 1 867 . 1 1 81 81 VAL H H 1 9.486 0.008 . 1 . . . . 78 Val H . 25263 1 868 . 1 1 81 81 VAL HA H 1 4.545 0.008 . 1 . . . . 78 Val HA . 25263 1 869 . 1 1 81 81 VAL HB H 1 1.913 0.008 . 1 . . . . 78 Val HB . 25263 1 870 . 1 1 81 81 VAL HG21 H 1 1.015 0.008 . 1 . . . . 78 Val HG21 . 25263 1 871 . 1 1 81 81 VAL HG22 H 1 1.015 0.008 . 1 . . . . 78 Val HG22 . 25263 1 872 . 1 1 81 81 VAL HG23 H 1 1.015 0.008 . 1 . . . . 78 Val HG23 . 25263 1 873 . 1 1 81 81 VAL C C 13 172.729 0.16 . 1 . . . . 78 Val C . 25263 1 874 . 1 1 81 81 VAL CA C 13 60.552 0.16 . 1 . . . . 78 Val CA . 25263 1 875 . 1 1 81 81 VAL CB C 13 34.118 0.16 . 1 . . . . 78 Val CB . 25263 1 876 . 1 1 81 81 VAL CG1 C 13 21.480 0.16 . 2 . . . . 78 Val CG1 . 25263 1 877 . 1 1 81 81 VAL CG2 C 13 23.012 0.16 . 2 . . . . 78 Val CG2 . 25263 1 878 . 1 1 81 81 VAL N N 15 129.307 0.055 . 1 . . . . 78 Val N . 25263 1 879 . 1 1 82 82 THR H H 1 9.055 0.008 . 1 . . . . 79 Thr H . 25263 1 880 . 1 1 82 82 THR HA H 1 4.867 0.008 . 1 . . . . 79 Thr HA . 25263 1 881 . 1 1 82 82 THR HB H 1 4.346 0.008 . 1 . . . . 79 Thr HB . 25263 1 882 . 1 1 82 82 THR C C 13 172.252 0.16 . 1 . . . . 79 Thr C . 25263 1 883 . 1 1 82 82 THR CA C 13 62.075 0.16 . 1 . . . . 79 Thr CA . 25263 1 884 . 1 1 82 82 THR CB C 13 67.947 0.16 . 1 . . . . 79 Thr CB . 25263 1 885 . 1 1 82 82 THR CG2 C 13 20.987 0.16 . 1 . . . . 79 Thr CG2 . 25263 1 886 . 1 1 82 82 THR N N 15 124.448 0.055 . 1 . . . . 79 Thr N . 25263 1 887 . 1 1 83 83 ILE H H 1 9.505 0.008 . 1 . . . . 80 Ile H . 25263 1 888 . 1 1 83 83 ILE HA H 1 5.913 0.008 . 1 . . . . 80 Ile HA . 25263 1 889 . 1 1 83 83 ILE HB H 1 1.968 0.008 . 1 . . . . 80 Ile HB . 25263 1 890 . 1 1 83 83 ILE HG12 H 1 1.685 0.008 . 1 . . . . 80 Ile HG12 . 25263 1 891 . 1 1 83 83 ILE HG21 H 1 1.065 0.008 . 1 . . . . 80 Ile HG21 . 25263 1 892 . 1 1 83 83 ILE HG22 H 1 1.065 0.008 . 1 . . . . 80 Ile HG22 . 25263 1 893 . 1 1 83 83 ILE HG23 H 1 1.065 0.008 . 1 . . . . 80 Ile HG23 . 25263 1 894 . 1 1 83 83 ILE HD11 H 1 0.654 0.008 . 1 . . . . 80 Ile HD11 . 25263 1 895 . 1 1 83 83 ILE HD12 H 1 0.654 0.008 . 1 . . . . 80 Ile HD12 . 25263 1 896 . 1 1 83 83 ILE HD13 H 1 0.654 0.008 . 1 . . . . 80 Ile HD13 . 25263 1 897 . 1 1 83 83 ILE C C 13 171.620 0.16 . 1 . . . . 80 Ile C . 25263 1 898 . 1 1 83 83 ILE CA C 13 58.363 0.16 . 1 . . . . 80 Ile CA . 25263 1 899 . 1 1 83 83 ILE CB C 13 42.732 0.16 . 1 . . . . 80 Ile CB . 25263 1 900 . 1 1 83 83 ILE CG1 C 13 23.398 0.16 . 1 . . . . 80 Ile CG1 . 25263 1 901 . 1 1 83 83 ILE CG2 C 13 18.008 0.16 . 1 . . . . 80 Ile CG2 . 25263 1 902 . 1 1 83 83 ILE CD1 C 13 14.222 0.16 . 1 . . . . 80 Ile CD1 . 25263 1 903 . 1 1 83 83 ILE N N 15 122.260 0.055 . 1 . . . . 80 Ile N . 25263 1 904 . 1 1 84 84 SER H H 1 8.431 0.008 . 1 . . . . 81 Ser H . 25263 1 905 . 1 1 84 84 SER HA H 1 5.143 0.008 . 1 . . . . 81 Ser HA . 25263 1 906 . 1 1 84 84 SER HB2 H 1 3.888 0.008 . 2 . . . . 81 Ser HB2 . 25263 1 907 . 1 1 84 84 SER HB3 H 1 3.894 0.008 . 2 . . . . 81 Ser HB3 . 25263 1 908 . 1 1 84 84 SER C C 13 172.515 0.16 . 1 . . . . 81 Ser C . 25263 1 909 . 1 1 84 84 SER CA C 13 54.413 0.16 . 1 . . . . 81 Ser CA . 25263 1 910 . 1 1 84 84 SER CB C 13 66.742 0.16 . 1 . . . . 81 Ser CB . 25263 1 911 . 1 1 84 84 SER N N 15 111.102 0.055 . 1 . . . . 81 Ser N . 25263 1 912 . 1 1 85 85 PRO HA H 1 4.967 0.008 . 1 . . . . 82 Pro HA . 25263 1 913 . 1 1 85 85 PRO HB2 H 1 2.336 0.008 . 1 . . . . 82 Pro HB2 . 25263 1 914 . 1 1 85 85 PRO HB3 H 1 2.336 0.008 . 1 . . . . 82 Pro HB3 . 25263 1 915 . 1 1 85 85 PRO HG2 H 1 1.696 0.008 . 1 . . . . 82 Pro HG2 . 25263 1 916 . 1 1 85 85 PRO HG3 H 1 1.696 0.008 . 1 . . . . 82 Pro HG3 . 25263 1 917 . 1 1 85 85 PRO HD2 H 1 3.742 0.008 . 1 . . . . 82 Pro HD2 . 25263 1 918 . 1 1 85 85 PRO HD3 H 1 3.742 0.008 . 1 . . . . 82 Pro HD3 . 25263 1 919 . 1 1 85 85 PRO C C 13 172.533 0.16 . 1 . . . . 82 Pro C . 25263 1 920 . 1 1 85 85 PRO CA C 13 62.721 0.16 . 1 . . . . 82 Pro CA . 25263 1 921 . 1 1 85 85 PRO CB C 13 34.810 0.16 . 1 . . . . 82 Pro CB . 25263 1 922 . 1 1 85 85 PRO CG C 13 23.730 0.16 . 1 . . . . 82 Pro CG . 25263 1 923 . 1 1 85 85 PRO CD C 13 49.467 0.16 . 1 . . . . 82 Pro CD . 25263 1 924 . 1 1 86 86 LYS H H 1 7.678 0.008 . 1 . . . . 83 Lys H . 25263 1 925 . 1 1 86 86 LYS HA H 1 4.021 0.008 . 1 . . . . 83 Lys HA . 25263 1 926 . 1 1 86 86 LYS HB2 H 1 1.639 0.008 . 1 . . . . 83 Lys HB2 . 25263 1 927 . 1 1 86 86 LYS HB3 H 1 1.639 0.008 . 1 . . . . 83 Lys HB3 . 25263 1 928 . 1 1 86 86 LYS HG2 H 1 1.185 0.008 . 1 . . . . 83 Lys HG2 . 25263 1 929 . 1 1 86 86 LYS HG3 H 1 1.185 0.008 . 1 . . . . 83 Lys HG3 . 25263 1 930 . 1 1 86 86 LYS HD2 H 1 1.392 0.008 . 1 . . . . 83 Lys HD2 . 25263 1 931 . 1 1 86 86 LYS HD3 H 1 1.392 0.008 . 1 . . . . 83 Lys HD3 . 25263 1 932 . 1 1 86 86 LYS HE2 H 1 3.250 0.008 . 1 . . . . 83 Lys HE2 . 25263 1 933 . 1 1 86 86 LYS HE3 H 1 3.250 0.008 . 1 . . . . 83 Lys HE3 . 25263 1 934 . 1 1 86 86 LYS C C 13 174.002 0.16 . 1 . . . . 83 Lys C . 25263 1 935 . 1 1 86 86 LYS CA C 13 56.884 0.16 . 1 . . . . 83 Lys CA . 25263 1 936 . 1 1 86 86 LYS CB C 13 35.176 0.16 . 1 . . . . 83 Lys CB . 25263 1 937 . 1 1 86 86 LYS CG C 13 27.131 0.16 . 1 . . . . 83 Lys CG . 25263 1 938 . 1 1 86 86 LYS CD C 13 30.055 0.16 . 1 . . . . 83 Lys CD . 25263 1 939 . 1 1 86 86 LYS CE C 13 42.388 0.16 . 1 . . . . 83 Lys CE . 25263 1 940 . 1 1 86 86 LYS N N 15 109.775 0.055 . 1 . . . . 83 Lys N . 25263 1 941 . 1 1 87 87 ILE H H 1 11.096 0.008 . 1 . . . . 84 Ile H . 25263 1 942 . 1 1 87 87 ILE HA H 1 3.976 0.008 . 1 . . . . 84 Ile HA . 25263 1 943 . 1 1 87 87 ILE HB H 1 1.626 0.008 . 1 . . . . 84 Ile HB . 25263 1 944 . 1 1 87 87 ILE HG12 H 1 0.820 0.008 . 2 . . . . 84 Ile HG12 . 25263 1 945 . 1 1 87 87 ILE HG13 H 1 0.781 0.008 . 2 . . . . 84 Ile HG13 . 25263 1 946 . 1 1 87 87 ILE HG21 H 1 0.658 0.008 . 1 . . . . 84 Ile HG21 . 25263 1 947 . 1 1 87 87 ILE HG22 H 1 0.658 0.008 . 1 . . . . 84 Ile HG22 . 25263 1 948 . 1 1 87 87 ILE HG23 H 1 0.658 0.008 . 1 . . . . 84 Ile HG23 . 25263 1 949 . 1 1 87 87 ILE HD11 H 1 0.456 0.008 . 1 . . . . 84 Ile HD11 . 25263 1 950 . 1 1 87 87 ILE HD12 H 1 0.456 0.008 . 1 . . . . 84 Ile HD12 . 25263 1 951 . 1 1 87 87 ILE HD13 H 1 0.456 0.008 . 1 . . . . 84 Ile HD13 . 25263 1 952 . 1 1 87 87 ILE C C 13 172.716 0.16 . 1 . . . . 84 Ile C . 25263 1 953 . 1 1 87 87 ILE CA C 13 61.550 0.16 . 1 . . . . 84 Ile CA . 25263 1 954 . 1 1 87 87 ILE CB C 13 37.184 0.16 . 1 . . . . 84 Ile CB . 25263 1 955 . 1 1 87 87 ILE CG1 C 13 28.165 0.16 . 1 . . . . 84 Ile CG1 . 25263 1 956 . 1 1 87 87 ILE CG2 C 13 17.853 0.16 . 1 . . . . 84 Ile CG2 . 25263 1 957 . 1 1 87 87 ILE CD1 C 13 13.094 0.16 . 1 . . . . 84 Ile CD1 . 25263 1 958 . 1 1 87 87 ILE N N 15 121.645 0.055 . 1 . . . . 84 Ile N . 25263 1 959 . 1 1 88 88 LEU H H 1 8.430 0.008 . 1 . . . . 85 Leu H . 25263 1 960 . 1 1 88 88 LEU HA H 1 5.085 0.008 . 1 . . . . 85 Leu HA . 25263 1 961 . 1 1 88 88 LEU HB2 H 1 1.699 0.008 . 2 . . . . 85 Leu HB2 . 25263 1 962 . 1 1 88 88 LEU HB3 H 1 1.696 0.008 . 2 . . . . 85 Leu HB3 . 25263 1 963 . 1 1 88 88 LEU HG H 1 0.915 0.008 . 1 . . . . 85 Leu HG . 25263 1 964 . 1 1 88 88 LEU HD11 H 1 0.743 0.008 . 1 . . . . 85 Leu HD11 . 25263 1 965 . 1 1 88 88 LEU HD12 H 1 0.743 0.008 . 1 . . . . 85 Leu HD12 . 25263 1 966 . 1 1 88 88 LEU HD13 H 1 0.743 0.008 . 1 . . . . 85 Leu HD13 . 25263 1 967 . 1 1 88 88 LEU C C 13 171.807 0.16 . 1 . . . . 85 Leu C . 25263 1 968 . 1 1 88 88 LEU CA C 13 50.635 0.16 . 1 . . . . 85 Leu CA . 25263 1 969 . 1 1 88 88 LEU CB C 13 41.185 0.16 . 1 . . . . 85 Leu CB . 25263 1 970 . 1 1 88 88 LEU CG C 13 25.881 0.16 . 1 . . . . 85 Leu CG . 25263 1 971 . 1 1 88 88 LEU CD1 C 13 23.384 0.16 . 2 . . . . 85 Leu CD1 . 25263 1 972 . 1 1 88 88 LEU CD2 C 13 23.288 0.16 . 2 . . . . 85 Leu CD2 . 25263 1 973 . 1 1 88 88 LEU N N 15 128.344 0.055 . 1 . . . . 85 Leu N . 25263 1 974 . 1 1 89 89 PRO HA H 1 5.063 0.008 . 1 . . . . 86 Pro HA . 25263 1 975 . 1 1 89 89 PRO HB2 H 1 2.198 0.008 . 1 . . . . 86 Pro HB2 . 25263 1 976 . 1 1 89 89 PRO HB3 H 1 2.198 0.008 . 1 . . . . 86 Pro HB3 . 25263 1 977 . 1 1 89 89 PRO HG2 H 1 1.524 0.008 . 1 . . . . 86 Pro HG2 . 25263 1 978 . 1 1 89 89 PRO HG3 H 1 1.524 0.008 . 1 . . . . 86 Pro HG3 . 25263 1 979 . 1 1 89 89 PRO HD2 H 1 4.211 0.008 . 1 . . . . 86 Pro HD2 . 25263 1 980 . 1 1 89 89 PRO HD3 H 1 4.211 0.008 . 1 . . . . 86 Pro HD3 . 25263 1 981 . 1 1 89 89 PRO C C 13 177.763 0.16 . 1 . . . . 86 Pro C . 25263 1 982 . 1 1 89 89 PRO CB C 13 33.127 0.16 . 1 . . . . 86 Pro CB . 25263 1 983 . 1 1 89 89 PRO CG C 13 28.224 0.16 . 1 . . . . 86 Pro CG . 25263 1 984 . 1 1 89 89 PRO CD C 13 50.676 0.16 . 1 . . . . 86 Pro CD . 25263 1 985 . 1 1 90 90 VAL H H 1 7.751 0.008 . 1 . . . . 87 Val H . 25263 1 986 . 1 1 90 90 VAL HA H 1 3.795 0.008 . 1 . . . . 87 Val HA . 25263 1 987 . 1 1 90 90 VAL HB H 1 2.189 0.008 . 1 . . . . 87 Val HB . 25263 1 988 . 1 1 90 90 VAL HG11 H 1 1.344 0.008 . 2 . . . . 87 Val HG11 . 25263 1 989 . 1 1 90 90 VAL HG12 H 1 1.344 0.008 . 2 . . . . 87 Val HG12 . 25263 1 990 . 1 1 90 90 VAL HG13 H 1 1.344 0.008 . 2 . . . . 87 Val HG13 . 25263 1 991 . 1 1 90 90 VAL HG21 H 1 1.137 0.008 . 2 . . . . 87 Val HG21 . 25263 1 992 . 1 1 90 90 VAL HG22 H 1 1.137 0.008 . 2 . . . . 87 Val HG22 . 25263 1 993 . 1 1 90 90 VAL HG23 H 1 1.137 0.008 . 2 . . . . 87 Val HG23 . 25263 1 994 . 1 1 90 90 VAL C C 13 174.937 0.16 . 1 . . . . 87 Val C . 25263 1 995 . 1 1 90 90 VAL CA C 13 66.207 0.16 . 1 . . . . 87 Val CA . 25263 1 996 . 1 1 90 90 VAL CB C 13 31.991 0.16 . 1 . . . . 87 Val CB . 25263 1 997 . 1 1 90 90 VAL CG1 C 13 20.970 0.16 . 2 . . . . 87 Val CG1 . 25263 1 998 . 1 1 90 90 VAL CG2 C 13 22.853 0.16 . 2 . . . . 87 Val CG2 . 25263 1 999 . 1 1 90 90 VAL N N 15 122.910 0.055 . 1 . . . . 87 Val N . 25263 1 1000 . 1 1 91 91 GLU H H 1 8.586 0.008 . 1 . . . . 88 Glu H . 25263 1 1001 . 1 1 91 91 GLU HA H 1 4.647 0.008 . 1 . . . . 88 Glu HA . 25263 1 1002 . 1 1 91 91 GLU HB2 H 1 2.218 0.008 . 2 . . . . 88 Glu HB2 . 25263 1 1003 . 1 1 91 91 GLU HB3 H 1 2.230 0.008 . 2 . . . . 88 Glu HB3 . 25263 1 1004 . 1 1 91 91 GLU HG2 H 1 2.290 0.008 . 2 . . . . 88 Glu HG2 . 25263 1 1005 . 1 1 91 91 GLU HG3 H 1 2.311 0.008 . 2 . . . . 88 Glu HG3 . 25263 1 1006 . 1 1 91 91 GLU C C 13 174.109 0.16 . 1 . . . . 88 Glu C . 25263 1 1007 . 1 1 91 91 GLU CA C 13 53.130 0.16 . 1 . . . . 88 Glu CA . 25263 1 1008 . 1 1 91 91 GLU CB C 13 27.249 0.16 . 1 . . . . 88 Glu CB . 25263 1 1009 . 1 1 91 91 GLU CG C 13 36.013 0.16 . 1 . . . . 88 Glu CG . 25263 1 1010 . 1 1 91 91 GLU N N 15 116.639 0.055 . 1 . . . . 88 Glu N . 25263 1 1011 . 1 1 92 92 ASN H H 1 6.454 0.008 . 1 . . . . 89 Asn H . 25263 1 1012 . 1 1 92 92 ASN HA H 1 4.617 0.008 . 1 . . . . 89 Asn HA . 25263 1 1013 . 1 1 92 92 ASN HB2 H 1 2.890 0.008 . 2 . . . . 89 Asn HB2 . 25263 1 1014 . 1 1 92 92 ASN HB3 H 1 2.912 0.008 . 2 . . . . 89 Asn HB3 . 25263 1 1015 . 1 1 92 92 ASN HD21 H 1 7.092 0.008 . 1 . . . . 89 Asn HD21 . 25263 1 1016 . 1 1 92 92 ASN HD22 H 1 7.687 0.008 . 1 . . . . 89 Asn HD22 . 25263 1 1017 . 1 1 92 92 ASN C C 13 174.561 0.16 . 1 . . . . 89 Asn C . 25263 1 1018 . 1 1 92 92 ASN CA C 13 53.188 0.16 . 1 . . . . 89 Asn CA . 25263 1 1019 . 1 1 92 92 ASN CB C 13 37.668 0.16 . 1 . . . . 89 Asn CB . 25263 1 1020 . 1 1 92 92 ASN N N 15 118.861 0.055 . 1 . . . . 89 Asn N . 25263 1 1021 . 1 1 92 92 ASN ND2 N 15 112.569 0.055 . 1 . . . . 89 Asn ND2 . 25263 1 1022 . 1 1 93 93 THR H H 1 9.004 0.008 . 1 . . . . 90 Thr H . 25263 1 1023 . 1 1 93 93 THR HA H 1 3.975 0.008 . 1 . . . . 90 Thr HA . 25263 1 1024 . 1 1 93 93 THR HB H 1 4.135 0.008 . 1 . . . . 90 Thr HB . 25263 1 1025 . 1 1 93 93 THR C C 13 173.689 0.16 . 1 . . . . 90 Thr C . 25263 1 1026 . 1 1 93 93 THR CA C 13 65.987 0.16 . 1 . . . . 90 Thr CA . 25263 1 1027 . 1 1 93 93 THR CB C 13 68.364 0.16 . 1 . . . . 90 Thr CB . 25263 1 1028 . 1 1 93 93 THR CG2 C 13 21.658 0.16 . 1 . . . . 90 Thr CG2 . 25263 1 1029 . 1 1 93 93 THR N N 15 125.939 0.055 . 1 . . . . 90 Thr N . 25263 1 1030 . 1 1 94 94 ASP H H 1 8.880 0.008 . 1 . . . . 91 Asp H . 25263 1 1031 . 1 1 94 94 ASP HA H 1 4.836 0.008 . 1 . . . . 91 Asp HA . 25263 1 1032 . 1 1 94 94 ASP HB2 H 1 2.679 0.008 . 2 . . . . 91 Asp HB2 . 25263 1 1033 . 1 1 94 94 ASP HB3 H 1 2.672 0.008 . 2 . . . . 91 Asp HB3 . 25263 1 1034 . 1 1 94 94 ASP C C 13 173.402 0.16 . 1 . . . . 91 Asp C . 25263 1 1035 . 1 1 94 94 ASP CA C 13 53.272 0.16 . 1 . . . . 91 Asp CA . 25263 1 1036 . 1 1 94 94 ASP CB C 13 41.874 0.16 . 1 . . . . 91 Asp CB . 25263 1 1037 . 1 1 94 94 ASP N N 15 119.407 0.055 . 1 . . . . 91 Asp N . 25263 1 1038 . 1 1 95 95 VAL H H 1 8.430 0.008 . 1 . . . . 92 Val H . 25263 1 1039 . 1 1 95 95 VAL HA H 1 3.473 0.008 . 1 . . . . 92 Val HA . 25263 1 1040 . 1 1 95 95 VAL HB H 1 2.153 0.008 . 1 . . . . 92 Val HB . 25263 1 1041 . 1 1 95 95 VAL HG11 H 1 1.025 0.008 . 2 . . . . 92 Val HG11 . 25263 1 1042 . 1 1 95 95 VAL HG12 H 1 1.025 0.008 . 2 . . . . 92 Val HG12 . 25263 1 1043 . 1 1 95 95 VAL HG13 H 1 1.025 0.008 . 2 . . . . 92 Val HG13 . 25263 1 1044 . 1 1 95 95 VAL HG21 H 1 1.104 0.008 . 2 . . . . 92 Val HG21 . 25263 1 1045 . 1 1 95 95 VAL HG22 H 1 1.104 0.008 . 2 . . . . 92 Val HG22 . 25263 1 1046 . 1 1 95 95 VAL HG23 H 1 1.104 0.008 . 2 . . . . 92 Val HG23 . 25263 1 1047 . 1 1 95 95 VAL C C 13 177.642 0.16 . 1 . . . . 92 Val C . 25263 1 1048 . 1 1 95 95 VAL CA C 13 66.712 0.16 . 1 . . . . 92 Val CA . 25263 1 1049 . 1 1 95 95 VAL CB C 13 31.050 0.16 . 1 . . . . 92 Val CB . 25263 1 1050 . 1 1 95 95 VAL CG1 C 13 21.599 0.16 . 2 . . . . 92 Val CG1 . 25263 1 1051 . 1 1 95 95 VAL CG2 C 13 20.628 0.16 . 2 . . . . 92 Val CG2 . 25263 1 1052 . 1 1 95 95 VAL N N 15 130.147 0.055 . 1 . . . . 92 Val N . 25263 1 1053 . 1 1 96 96 ALA H H 1 8.536 0.008 . 1 . . . . 93 Ala H . 25263 1 1054 . 1 1 96 96 ALA HA H 1 4.284 0.008 . 1 . . . . 93 Ala HA . 25263 1 1055 . 1 1 96 96 ALA HB1 H 1 1.609 0.008 . 1 . . . . 93 Ala HB1 . 25263 1 1056 . 1 1 96 96 ALA HB2 H 1 1.609 0.008 . 1 . . . . 93 Ala HB2 . 25263 1 1057 . 1 1 96 96 ALA HB3 H 1 1.609 0.008 . 1 . . . . 93 Ala HB3 . 25263 1 1058 . 1 1 96 96 ALA C C 13 176.949 0.16 . 1 . . . . 93 Ala C . 25263 1 1059 . 1 1 96 96 ALA CA C 13 54.021 0.16 . 1 . . . . 93 Ala CA . 25263 1 1060 . 1 1 96 96 ALA CB C 13 18.051 0.16 . 1 . . . . 93 Ala CB . 25263 1 1061 . 1 1 96 96 ALA N N 15 123.109 0.055 . 1 . . . . 93 Ala N . 25263 1 1062 . 1 1 97 97 SER H H 1 7.761 0.008 . 1 . . . . 94 Ser H . 25263 1 1063 . 1 1 97 97 SER HA H 1 4.794 0.008 . 1 . . . . 94 Ser HA . 25263 1 1064 . 1 1 97 97 SER HB3 H 1 4.299 0.008 . 1 . . . . 94 Ser HB3 . 25263 1 1065 . 1 1 97 97 SER C C 13 175.362 0.16 . 1 . . . . 94 Ser C . 25263 1 1066 . 1 1 97 97 SER CA C 13 60.605 0.16 . 1 . . . . 94 Ser CA . 25263 1 1067 . 1 1 97 97 SER CB C 13 64.341 0.16 . 1 . . . . 94 Ser CB . 25263 1 1068 . 1 1 97 97 SER N N 15 110.701 0.055 . 1 . . . . 94 Ser N . 25263 1 1069 . 1 1 98 98 ARG H H 1 8.300 0.008 . 1 . . . . 95 Arg H . 25263 1 1070 . 1 1 98 98 ARG HA H 1 4.049 0.008 . 1 . . . . 95 Arg HA . 25263 1 1071 . 1 1 98 98 ARG HB2 H 1 2.160 0.008 . 1 . . . . 95 Arg HB2 . 25263 1 1072 . 1 1 98 98 ARG HB3 H 1 2.160 0.008 . 1 . . . . 95 Arg HB3 . 25263 1 1073 . 1 1 98 98 ARG HG2 H 1 2.209 0.008 . 1 . . . . 95 Arg HG2 . 25263 1 1074 . 1 1 98 98 ARG HG3 H 1 2.209 0.008 . 1 . . . . 95 Arg HG3 . 25263 1 1075 . 1 1 98 98 ARG HD2 H 1 3.551 0.008 . 1 . . . . 95 Arg HD2 . 25263 1 1076 . 1 1 98 98 ARG HD3 H 1 3.551 0.008 . 1 . . . . 95 Arg HD3 . 25263 1 1077 . 1 1 98 98 ARG C C 13 173.802 0.16 . 1 . . . . 95 Arg C . 25263 1 1078 . 1 1 98 98 ARG CA C 13 62.505 0.16 . 1 . . . . 95 Arg CA . 25263 1 1079 . 1 1 98 98 ARG CB C 13 27.240 0.16 . 1 . . . . 95 Arg CB . 25263 1 1080 . 1 1 98 98 ARG CG C 13 29.427 0.16 . 1 . . . . 95 Arg CG . 25263 1 1081 . 1 1 98 98 ARG CD C 13 43.278 0.16 . 1 . . . . 95 Arg CD . 25263 1 1082 . 1 1 98 98 ARG N N 15 125.013 0.055 . 1 . . . . 95 Arg N . 25263 1 1083 . 1 1 99 99 PRO HA H 1 4.427 0.008 . 1 . . . . 96 Pro HA . 25263 1 1084 . 1 1 99 99 PRO HB2 H 1 2.229 0.008 . 2 . . . . 96 Pro HB2 . 25263 1 1085 . 1 1 99 99 PRO HB3 H 1 2.264 0.008 . 2 . . . . 96 Pro HB3 . 25263 1 1086 . 1 1 99 99 PRO HG2 H 1 1.968 0.008 . 2 . . . . 96 Pro HG2 . 25263 1 1087 . 1 1 99 99 PRO HG3 H 1 1.951 0.008 . 2 . . . . 96 Pro HG3 . 25263 1 1088 . 1 1 99 99 PRO HD2 H 1 3.632 0.008 . 2 . . . . 96 Pro HD2 . 25263 1 1089 . 1 1 99 99 PRO HD3 H 1 3.591 0.008 . 2 . . . . 96 Pro HD3 . 25263 1 1090 . 1 1 99 99 PRO C C 13 174.459 0.16 . 1 . . . . 96 Pro C . 25263 1 1091 . 1 1 99 99 PRO CA C 13 64.948 0.16 . 1 . . . . 96 Pro CA . 25263 1 1092 . 1 1 99 99 PRO CB C 13 30.548 0.16 . 1 . . . . 96 Pro CB . 25263 1 1093 . 1 1 99 99 PRO CG C 13 27.694 0.16 . 1 . . . . 96 Pro CG . 25263 1 1094 . 1 1 99 99 PRO CD C 13 50.794 0.16 . 1 . . . . 96 Pro CD . 25263 1 1095 . 1 1 100 100 TYR H H 1 7.065 0.008 . 1 . . . . 97 Tyr H . 25263 1 1096 . 1 1 100 100 TYR HA H 1 4.676 0.008 . 1 . . . . 97 Tyr HA . 25263 1 1097 . 1 1 100 100 TYR HB2 H 1 2.748 0.008 . 2 . . . . 97 Tyr HB2 . 25263 1 1098 . 1 1 100 100 TYR HB3 H 1 2.718 0.008 . 2 . . . . 97 Tyr HB3 . 25263 1 1099 . 1 1 100 100 TYR HD1 H 1 7.173 0.008 . 3 . . . . 97 Tyr HD1 . 25263 1 1100 . 1 1 100 100 TYR HD2 H 1 7.173 0.008 . 3 . . . . 97 Tyr HD2 . 25263 1 1101 . 1 1 100 100 TYR HE1 H 1 6.992 0.008 . 3 . . . . 97 Tyr HE1 . 25263 1 1102 . 1 1 100 100 TYR HE2 H 1 6.992 0.008 . 3 . . . . 97 Tyr HE2 . 25263 1 1103 . 1 1 100 100 TYR C C 13 172.553 0.16 . 1 . . . . 97 Tyr C . 25263 1 1104 . 1 1 100 100 TYR CA C 13 55.812 0.16 . 1 . . . . 97 Tyr CA . 25263 1 1105 . 1 1 100 100 TYR CB C 13 38.107 0.16 . 1 . . . . 97 Tyr CB . 25263 1 1106 . 1 1 100 100 TYR N N 15 114.698 0.055 . 1 . . . . 97 Tyr N . 25263 1 1107 . 1 1 101 101 ALA H H 1 7.340 0.008 . 1 . . . . 98 Ala H . 25263 1 1108 . 1 1 101 101 ALA HA H 1 4.250 0.008 . 1 . . . . 98 Ala HA . 25263 1 1109 . 1 1 101 101 ALA HB1 H 1 1.418 0.008 . 1 . . . . 98 Ala HB1 . 25263 1 1110 . 1 1 101 101 ALA HB2 H 1 1.418 0.008 . 1 . . . . 98 Ala HB2 . 25263 1 1111 . 1 1 101 101 ALA HB3 H 1 1.418 0.008 . 1 . . . . 98 Ala HB3 . 25263 1 1112 . 1 1 101 101 ALA C C 13 175.411 0.16 . 1 . . . . 98 Ala C . 25263 1 1113 . 1 1 101 101 ALA CA C 13 53.018 0.16 . 1 . . . . 98 Ala CA . 25263 1 1114 . 1 1 101 101 ALA CB C 13 20.186 0.16 . 1 . . . . 98 Ala CB . 25263 1 1115 . 1 1 101 101 ALA N N 15 118.506 0.055 . 1 . . . . 98 Ala N . 25263 1 1116 . 1 1 102 102 ASN H H 1 10.017 0.008 . 1 . . . . 99 Asn H . 25263 1 1117 . 1 1 102 102 ASN HA H 1 4.736 0.008 . 1 . . . . 99 Asn HA . 25263 1 1118 . 1 1 102 102 ASN HB2 H 1 2.780 0.008 . 2 . . . . 99 Asn HB2 . 25263 1 1119 . 1 1 102 102 ASN HB3 H 1 2.802 0.008 . 2 . . . . 99 Asn HB3 . 25263 1 1120 . 1 1 102 102 ASN HD21 H 1 7.259 0.008 . 1 . . . . 99 Asn HD21 . 25263 1 1121 . 1 1 102 102 ASN HD22 H 1 8.114 0.008 . 1 . . . . 99 Asn HD22 . 25263 1 1122 . 1 1 102 102 ASN C C 13 173.945 0.16 . 1 . . . . 99 Asn C . 25263 1 1123 . 1 1 102 102 ASN CA C 13 51.703 0.16 . 1 . . . . 99 Asn CA . 25263 1 1124 . 1 1 102 102 ASN CB C 13 39.123 0.16 . 1 . . . . 99 Asn CB . 25263 1 1125 . 1 1 102 102 ASN N N 15 118.137 0.055 . 1 . . . . 99 Asn N . 25263 1 1126 . 1 1 102 102 ASN ND2 N 15 107.095 0.055 . 1 . . . . 99 Asn ND2 . 25263 1 1127 . 1 1 103 103 VAL H H 1 7.734 0.008 . 1 . . . . 100 Val H . 25263 1 1128 . 1 1 103 103 VAL HA H 1 5.757 0.008 . 1 . . . . 100 Val HA . 25263 1 1129 . 1 1 103 103 VAL HB H 1 2.433 0.008 . 1 . . . . 100 Val HB . 25263 1 1130 . 1 1 103 103 VAL HG11 H 1 0.906 0.008 . 2 . . . . 100 Val HG11 . 25263 1 1131 . 1 1 103 103 VAL HG12 H 1 0.906 0.008 . 2 . . . . 100 Val HG12 . 25263 1 1132 . 1 1 103 103 VAL HG13 H 1 0.906 0.008 . 2 . . . . 100 Val HG13 . 25263 1 1133 . 1 1 103 103 VAL HG21 H 1 0.882 0.008 . 2 . . . . 100 Val HG21 . 25263 1 1134 . 1 1 103 103 VAL HG22 H 1 0.882 0.008 . 2 . . . . 100 Val HG22 . 25263 1 1135 . 1 1 103 103 VAL HG23 H 1 0.882 0.008 . 2 . . . . 100 Val HG23 . 25263 1 1136 . 1 1 103 103 VAL C C 13 173.326 0.16 . 1 . . . . 100 Val C . 25263 1 1137 . 1 1 103 103 VAL CA C 13 57.958 0.16 . 1 . . . . 100 Val CA . 25263 1 1138 . 1 1 103 103 VAL CB C 13 36.619 0.16 . 1 . . . . 100 Val CB . 25263 1 1139 . 1 1 103 103 VAL CG1 C 13 17.554 0.16 . 2 . . . . 100 Val CG1 . 25263 1 1140 . 1 1 103 103 VAL CG2 C 13 21.259 0.16 . 2 . . . . 100 Val CG2 . 25263 1 1141 . 1 1 103 103 VAL N N 15 115.175 0.055 . 1 . . . . 100 Val N . 25263 1 1142 . 1 1 104 104 ASP H H 1 9.473 0.008 . 1 . . . . 101 Asp H . 25263 1 1143 . 1 1 104 104 ASP HA H 1 4.180 0.008 . 1 . . . . 101 Asp HA . 25263 1 1144 . 1 1 104 104 ASP HB2 H 1 2.892 0.008 . 2 . . . . 101 Asp HB2 . 25263 1 1145 . 1 1 104 104 ASP HB3 H 1 2.884 0.008 . 2 . . . . 101 Asp HB3 . 25263 1 1146 . 1 1 104 104 ASP C C 13 175.342 0.16 . 1 . . . . 101 Asp C . 25263 1 1147 . 1 1 104 104 ASP CA C 13 55.497 0.16 . 1 . . . . 101 Asp CA . 25263 1 1148 . 1 1 104 104 ASP CB C 13 38.860 0.16 . 1 . . . . 101 Asp CB . 25263 1 1149 . 1 1 104 104 ASP N N 15 120.681 0.055 . 1 . . . . 101 Asp N . 25263 1 1150 . 1 1 105 105 ALA H H 1 8.214 0.008 . 1 . . . . 102 Ala H . 25263 1 1151 . 1 1 105 105 ALA HA H 1 4.556 0.008 . 1 . . . . 102 Ala HA . 25263 1 1152 . 1 1 105 105 ALA HB1 H 1 1.383 0.008 . 1 . . . . 102 Ala HB1 . 25263 1 1153 . 1 1 105 105 ALA HB2 H 1 1.383 0.008 . 1 . . . . 102 Ala HB2 . 25263 1 1154 . 1 1 105 105 ALA HB3 H 1 1.383 0.008 . 1 . . . . 102 Ala HB3 . 25263 1 1155 . 1 1 105 105 ALA C C 13 171.945 0.16 . 1 . . . . 102 Ala C . 25263 1 1156 . 1 1 105 105 ALA CA C 13 51.262 0.16 . 1 . . . . 102 Ala CA . 25263 1 1157 . 1 1 105 105 ALA CB C 13 21.606 0.16 . 1 . . . . 102 Ala CB . 25263 1 1158 . 1 1 105 105 ALA N N 15 125.676 0.055 . 1 . . . . 102 Ala N . 25263 1 1159 . 1 1 106 106 LYS H H 1 7.984 0.008 . 1 . . . . 103 Lys H . 25263 1 1160 . 1 1 106 106 LYS HA H 1 4.329 0.008 . 1 . . . . 103 Lys HA . 25263 1 1161 . 1 1 106 106 LYS HB2 H 1 2.208 0.008 . 1 . . . . 103 Lys HB2 . 25263 1 1162 . 1 1 106 106 LYS HB3 H 1 2.208 0.008 . 1 . . . . 103 Lys HB3 . 25263 1 1163 . 1 1 106 106 LYS HG2 H 1 1.283 0.008 . 1 . . . . 103 Lys HG2 . 25263 1 1164 . 1 1 106 106 LYS HG3 H 1 1.283 0.008 . 1 . . . . 103 Lys HG3 . 25263 1 1165 . 1 1 106 106 LYS HD2 H 1 1.668 0.008 . 1 . . . . 103 Lys HD2 . 25263 1 1166 . 1 1 106 106 LYS HD3 H 1 1.668 0.008 . 1 . . . . 103 Lys HD3 . 25263 1 1167 . 1 1 106 106 LYS HE2 H 1 2.939 0.008 . 1 . . . . 103 Lys HE2 . 25263 1 1168 . 1 1 106 106 LYS HE3 H 1 2.939 0.008 . 1 . . . . 103 Lys HE3 . 25263 1 1169 . 1 1 106 106 LYS C C 13 171.443 0.16 . 1 . . . . 103 Lys C . 25263 1 1170 . 1 1 106 106 LYS CA C 13 53.030 0.16 . 1 . . . . 103 Lys CA . 25263 1 1171 . 1 1 106 106 LYS CB C 13 30.489 0.16 . 1 . . . . 103 Lys CB . 25263 1 1172 . 1 1 106 106 LYS CG C 13 23.040 0.16 . 1 . . . . 103 Lys CG . 25263 1 1173 . 1 1 106 106 LYS CD C 13 29.265 0.16 . 1 . . . . 103 Lys CD . 25263 1 1174 . 1 1 106 106 LYS CE C 13 41.631 0.16 . 1 . . . . 103 Lys CE . 25263 1 1175 . 1 1 106 106 LYS N N 15 115.672 0.055 . 1 . . . . 103 Lys N . 25263 1 1176 . 1 1 107 107 PRO HA H 1 4.924 0.008 . 1 . . . . 104 Pro HA . 25263 1 1177 . 1 1 107 107 PRO HB2 H 1 2.249 0.008 . 1 . . . . 104 Pro HB2 . 25263 1 1178 . 1 1 107 107 PRO HB3 H 1 2.249 0.008 . 1 . . . . 104 Pro HB3 . 25263 1 1179 . 1 1 107 107 PRO HG2 H 1 2.136 0.008 . 1 . . . . 104 Pro HG2 . 25263 1 1180 . 1 1 107 107 PRO HG3 H 1 2.136 0.008 . 1 . . . . 104 Pro HG3 . 25263 1 1181 . 1 1 107 107 PRO HD2 H 1 3.727 0.008 . 1 . . . . 104 Pro HD2 . 25263 1 1182 . 1 1 107 107 PRO HD3 H 1 3.727 0.008 . 1 . . . . 104 Pro HD3 . 25263 1 1183 . 1 1 107 107 PRO C C 13 174.169 0.16 . 1 . . . . 104 Pro C . 25263 1 1184 . 1 1 107 107 PRO CA C 13 62.462 0.16 . 1 . . . . 104 Pro CA . 25263 1 1185 . 1 1 107 107 PRO CB C 13 31.556 0.16 . 1 . . . . 104 Pro CB . 25263 1 1186 . 1 1 107 107 PRO CG C 13 27.116 0.16 . 1 . . . . 104 Pro CG . 25263 1 1187 . 1 1 107 107 PRO CD C 13 50.383 0.16 . 1 . . . . 104 Pro CD . 25263 1 1188 . 1 1 108 108 ALA H H 1 8.620 0.008 . 1 . . . . 105 Ala H . 25263 1 1189 . 1 1 108 108 ALA HA H 1 4.210 0.008 . 1 . . . . 105 Ala HA . 25263 1 1190 . 1 1 108 108 ALA HB1 H 1 1.623 0.008 . 1 . . . . 105 Ala HB1 . 25263 1 1191 . 1 1 108 108 ALA HB2 H 1 1.623 0.008 . 1 . . . . 105 Ala HB2 . 25263 1 1192 . 1 1 108 108 ALA HB3 H 1 1.623 0.008 . 1 . . . . 105 Ala HB3 . 25263 1 1193 . 1 1 108 108 ALA C C 13 176.138 0.16 . 1 . . . . 105 Ala C . 25263 1 1194 . 1 1 108 108 ALA CA C 13 51.022 0.16 . 1 . . . . 105 Ala CA . 25263 1 1195 . 1 1 108 108 ALA CB C 13 18.853 0.16 . 1 . . . . 105 Ala CB . 25263 1 1196 . 1 1 108 108 ALA N N 15 124.170 0.055 . 1 . . . . 105 Ala N . 25263 1 1197 . 1 1 109 109 GLU H H 1 8.881 0.008 . 1 . . . . 106 Glu H . 25263 1 1198 . 1 1 109 109 GLU HA H 1 4.281 0.008 . 1 . . . . 106 Glu HA . 25263 1 1199 . 1 1 109 109 GLU HB2 H 1 2.009 0.008 . 2 . . . . 106 Glu HB2 . 25263 1 1200 . 1 1 109 109 GLU HB3 H 1 1.987 0.008 . 2 . . . . 106 Glu HB3 . 25263 1 1201 . 1 1 109 109 GLU HG2 H 1 2.390 0.008 . 2 . . . . 106 Glu HG2 . 25263 1 1202 . 1 1 109 109 GLU HG3 H 1 2.427 0.008 . 2 . . . . 106 Glu HG3 . 25263 1 1203 . 1 1 109 109 GLU C C 13 175.116 0.16 . 1 . . . . 106 Glu C . 25263 1 1204 . 1 1 109 109 GLU CA C 13 57.205 0.16 . 1 . . . . 106 Glu CA . 25263 1 1205 . 1 1 109 109 GLU CB C 13 28.819 0.16 . 1 . . . . 106 Glu CB . 25263 1 1206 . 1 1 109 109 GLU CG C 13 35.562 0.16 . 1 . . . . 106 Glu CG . 25263 1 1207 . 1 1 109 109 GLU N N 15 122.433 0.055 . 1 . . . . 106 Glu N . 25263 1 1208 . 1 1 110 110 SER H H 1 8.301 0.008 . 1 . . . . 107 Ser H . 25263 1 1209 . 1 1 110 110 SER HA H 1 4.157 0.008 . 1 . . . . 107 Ser HA . 25263 1 1210 . 1 1 110 110 SER HB2 H 1 4.093 0.008 . 1 . . . . 107 Ser HB2 . 25263 1 1211 . 1 1 110 110 SER HB3 H 1 4.093 0.008 . 1 . . . . 107 Ser HB3 . 25263 1 1212 . 1 1 110 110 SER C C 13 171.237 0.16 . 1 . . . . 107 Ser C . 25263 1 1213 . 1 1 110 110 SER CA C 13 58.269 0.16 . 1 . . . . 107 Ser CA . 25263 1 1214 . 1 1 110 110 SER CB C 13 61.029 0.16 . 1 . . . . 107 Ser CB . 25263 1 1215 . 1 1 110 110 SER N N 15 117.973 0.055 . 1 . . . . 107 Ser N . 25263 1 1216 . 1 1 111 111 ALA H H 1 7.083 0.008 . 1 . . . . 108 Ala H . 25263 1 1217 . 1 1 111 111 ALA HA H 1 4.230 0.008 . 1 . . . . 108 Ala HA . 25263 1 1218 . 1 1 111 111 ALA HB1 H 1 1.552 0.008 . 1 . . . . 108 Ala HB1 . 25263 1 1219 . 1 1 111 111 ALA HB2 H 1 1.552 0.008 . 1 . . . . 108 Ala HB2 . 25263 1 1220 . 1 1 111 111 ALA HB3 H 1 1.552 0.008 . 1 . . . . 108 Ala HB3 . 25263 1 1221 . 1 1 111 111 ALA C C 13 175.663 0.16 . 1 . . . . 108 Ala C . 25263 1 1222 . 1 1 111 111 ALA CA C 13 52.216 0.16 . 1 . . . . 108 Ala CA . 25263 1 1223 . 1 1 111 111 ALA CB C 13 19.792 0.16 . 1 . . . . 108 Ala CB . 25263 1 1224 . 1 1 111 111 ALA N N 15 120.815 0.055 . 1 . . . . 108 Ala N . 25263 1 1225 . 1 1 112 112 ALA H H 1 8.505 0.008 . 1 . . . . 109 Ala H . 25263 1 1226 . 1 1 112 112 ALA HA H 1 4.399 0.008 . 1 . . . . 109 Ala HA . 25263 1 1227 . 1 1 112 112 ALA HB1 H 1 1.479 0.008 . 1 . . . . 109 Ala HB1 . 25263 1 1228 . 1 1 112 112 ALA HB2 H 1 1.479 0.008 . 1 . . . . 109 Ala HB2 . 25263 1 1229 . 1 1 112 112 ALA HB3 H 1 1.479 0.008 . 1 . . . . 109 Ala HB3 . 25263 1 1230 . 1 1 112 112 ALA C C 13 176.283 0.16 . 1 . . . . 109 Ala C . 25263 1 1231 . 1 1 112 112 ALA CA C 13 53.200 0.16 . 1 . . . . 109 Ala CA . 25263 1 1232 . 1 1 112 112 ALA CB C 13 19.396 0.16 . 1 . . . . 109 Ala CB . 25263 1 1233 . 1 1 112 112 ALA N N 15 124.187 0.055 . 1 . . . . 109 Ala N . 25263 1 1234 . 1 1 113 113 ILE H H 1 8.281 0.008 . 1 . . . . 110 Ile H . 25263 1 1235 . 1 1 113 113 ILE HA H 1 4.973 0.008 . 1 . . . . 110 Ile HA . 25263 1 1236 . 1 1 113 113 ILE HB H 1 1.471 0.008 . 1 . . . . 110 Ile HB . 25263 1 1237 . 1 1 113 113 ILE HG12 H 1 0.850 0.008 . 1 . . . . 110 Ile HG12 . 25263 1 1238 . 1 1 113 113 ILE HG13 H 1 0.850 0.008 . 1 . . . . 110 Ile HG13 . 25263 1 1239 . 1 1 113 113 ILE HG21 H 1 0.611 0.008 . 1 . . . . 110 Ile HG21 . 25263 1 1240 . 1 1 113 113 ILE HG22 H 1 0.611 0.008 . 1 . . . . 110 Ile HG22 . 25263 1 1241 . 1 1 113 113 ILE HG23 H 1 0.611 0.008 . 1 . . . . 110 Ile HG23 . 25263 1 1242 . 1 1 113 113 ILE HD11 H 1 0.355 0.008 . 1 . . . . 110 Ile HD11 . 25263 1 1243 . 1 1 113 113 ILE HD12 H 1 0.355 0.008 . 1 . . . . 110 Ile HD12 . 25263 1 1244 . 1 1 113 113 ILE HD13 H 1 0.355 0.008 . 1 . . . . 110 Ile HD13 . 25263 1 1245 . 1 1 113 113 ILE C C 13 174.354 0.16 . 1 . . . . 110 Ile C . 25263 1 1246 . 1 1 113 113 ILE CA C 13 59.963 0.16 . 1 . . . . 110 Ile CA . 25263 1 1247 . 1 1 113 113 ILE CB C 13 39.506 0.16 . 1 . . . . 110 Ile CB . 25263 1 1248 . 1 1 113 113 ILE CG1 C 13 28.155 0.16 . 1 . . . . 110 Ile CG1 . 25263 1 1249 . 1 1 113 113 ILE CG2 C 13 16.874 0.16 . 1 . . . . 110 Ile CG2 . 25263 1 1250 . 1 1 113 113 ILE CD1 C 13 13.645 0.16 . 1 . . . . 110 Ile CD1 . 25263 1 1251 . 1 1 113 113 ILE N N 15 123.926 0.055 . 1 . . . . 110 Ile N . 25263 1 1252 . 1 1 114 114 THR H H 1 8.977 0.008 . 1 . . . . 111 Thr H . 25263 1 1253 . 1 1 114 114 THR HA H 1 4.546 0.008 . 1 . . . . 111 Thr HA . 25263 1 1254 . 1 1 114 114 THR HB H 1 4.155 0.008 . 1 . . . . 111 Thr HB . 25263 1 1255 . 1 1 114 114 THR C C 13 171.262 0.16 . 1 . . . . 111 Thr C . 25263 1 1256 . 1 1 114 114 THR CA C 13 61.662 0.16 . 1 . . . . 111 Thr CA . 25263 1 1257 . 1 1 114 114 THR CB C 13 69.950 0.16 . 1 . . . . 111 Thr CB . 25263 1 1258 . 1 1 114 114 THR CG2 C 13 20.774 0.16 . 1 . . . . 111 Thr CG2 . 25263 1 1259 . 1 1 114 114 THR N N 15 124.950 0.055 . 1 . . . . 111 Thr N . 25263 1 1260 . 1 1 115 115 ILE H H 1 8.975 0.008 . 1 . . . . 112 Ile H . 25263 1 1261 . 1 1 115 115 ILE HA H 1 4.035 0.008 . 1 . . . . 112 Ile HA . 25263 1 1262 . 1 1 115 115 ILE HB H 1 1.715 0.008 . 1 . . . . 112 Ile HB . 25263 1 1263 . 1 1 115 115 ILE HG12 H 1 1.767 0.008 . 2 . . . . 112 Ile HG12 . 25263 1 1264 . 1 1 115 115 ILE HG13 H 1 1.791 0.008 . 2 . . . . 112 Ile HG13 . 25263 1 1265 . 1 1 115 115 ILE HG21 H 1 1.094 0.008 . 1 . . . . 112 Ile HG21 . 25263 1 1266 . 1 1 115 115 ILE HG22 H 1 1.094 0.008 . 1 . . . . 112 Ile HG22 . 25263 1 1267 . 1 1 115 115 ILE HG23 H 1 1.094 0.008 . 1 . . . . 112 Ile HG23 . 25263 1 1268 . 1 1 115 115 ILE HD11 H 1 0.894 0.008 . 1 . . . . 112 Ile HD11 . 25263 1 1269 . 1 1 115 115 ILE HD12 H 1 0.894 0.008 . 1 . . . . 112 Ile HD12 . 25263 1 1270 . 1 1 115 115 ILE HD13 H 1 0.894 0.008 . 1 . . . . 112 Ile HD13 . 25263 1 1271 . 1 1 115 115 ILE C C 13 174.565 0.16 . 1 . . . . 112 Ile C . 25263 1 1272 . 1 1 115 115 ILE CA C 13 61.572 0.16 . 1 . . . . 112 Ile CA . 25263 1 1273 . 1 1 115 115 ILE CB C 13 37.606 0.16 . 1 . . . . 112 Ile CB . 25263 1 1274 . 1 1 115 115 ILE CG1 C 13 28.470 0.16 . 1 . . . . 112 Ile CG1 . 25263 1 1275 . 1 1 115 115 ILE CG2 C 13 17.189 0.16 . 1 . . . . 112 Ile CG2 . 25263 1 1276 . 1 1 115 115 ILE CD1 C 13 13.260 0.16 . 1 . . . . 112 Ile CD1 . 25263 1 1277 . 1 1 115 115 ILE N N 15 127.807 0.055 . 1 . . . . 112 Ile N . 25263 1 1278 . 1 1 116 116 LEU H H 1 9.145 0.008 . 1 . . . . 113 Leu H . 25263 1 1279 . 1 1 116 116 LEU HA H 1 4.375 0.008 . 1 . . . . 113 Leu HA . 25263 1 1280 . 1 1 116 116 LEU HB2 H 1 1.631 0.008 . 1 . . . . 113 Leu HB2 . 25263 1 1281 . 1 1 116 116 LEU HB3 H 1 1.631 0.008 . 1 . . . . 113 Leu HB3 . 25263 1 1282 . 1 1 116 116 LEU HG H 1 1.614 0.008 . 1 . . . . 113 Leu HG . 25263 1 1283 . 1 1 116 116 LEU HD11 H 1 0.849 0.008 . 1 . . . . 113 Leu HD11 . 25263 1 1284 . 1 1 116 116 LEU HD12 H 1 0.849 0.008 . 1 . . . . 113 Leu HD12 . 25263 1 1285 . 1 1 116 116 LEU HD13 H 1 0.849 0.008 . 1 . . . . 113 Leu HD13 . 25263 1 1286 . 1 1 116 116 LEU HD21 H 1 0.849 0.008 . 1 . . . . 113 Leu HD21 . 25263 1 1287 . 1 1 116 116 LEU HD22 H 1 0.849 0.008 . 1 . . . . 113 Leu HD22 . 25263 1 1288 . 1 1 116 116 LEU HD23 H 1 0.849 0.008 . 1 . . . . 113 Leu HD23 . 25263 1 1289 . 1 1 116 116 LEU C C 13 175.394 0.16 . 1 . . . . 113 Leu C . 25263 1 1290 . 1 1 116 116 LEU CA C 13 55.017 0.16 . 1 . . . . 113 Leu CA . 25263 1 1291 . 1 1 116 116 LEU CB C 13 41.519 0.16 . 1 . . . . 113 Leu CB . 25263 1 1292 . 1 1 116 116 LEU CG C 13 25.538 0.16 . 1 . . . . 113 Leu CG . 25263 1 1293 . 1 1 116 116 LEU CD1 C 13 22.005 0.16 . 1 . . . . 113 Leu CD1 . 25263 1 1294 . 1 1 116 116 LEU CD2 C 13 22.005 0.16 . 1 . . . . 113 Leu CD2 . 25263 1 1295 . 1 1 116 116 LEU N N 15 128.953 0.055 . 1 . . . . 113 Leu N . 25263 1 1296 . 1 1 117 117 ASN H H 1 8.583 0.008 . 1 . . . . 114 Asn H . 25263 1 1297 . 1 1 117 117 ASN HA H 1 4.771 0.008 . 1 . . . . 114 Asn HA . 25263 1 1298 . 1 1 117 117 ASN HB2 H 1 2.905 0.008 . 1 . . . . 114 Asn HB2 . 25263 1 1299 . 1 1 117 117 ASN HB3 H 1 2.905 0.008 . 1 . . . . 114 Asn HB3 . 25263 1 1300 . 1 1 117 117 ASN HD21 H 1 6.930 0.008 . 1 . . . . 114 Asn HD21 . 25263 1 1301 . 1 1 117 117 ASN HD22 H 1 7.824 0.008 . 1 . . . . 114 Asn HD22 . 25263 1 1302 . 1 1 117 117 ASN C C 13 173.223 0.16 . 1 . . . . 114 Asn C . 25263 1 1303 . 1 1 117 117 ASN CA C 13 53.110 0.16 . 1 . . . . 114 Asn CA . 25263 1 1304 . 1 1 117 117 ASN CB C 13 38.236 0.16 . 1 . . . . 114 Asn CB . 25263 1 1305 . 1 1 117 117 ASN N N 15 117.662 0.055 . 1 . . . . 114 Asn N . 25263 1 1306 . 1 1 117 117 ASN ND2 N 15 113.983 0.055 . 1 . . . . 114 Asn ND2 . 25263 1 1307 . 1 1 118 118 LYS H H 1 8.248 0.008 . 1 . . . . 115 Lys H . 25263 1 1308 . 1 1 118 118 LYS HA H 1 4.387 0.008 . 1 . . . . 115 Lys HA . 25263 1 1309 . 1 1 118 118 LYS HB2 H 1 1.913 0.008 . 1 . . . . 115 Lys HB2 . 25263 1 1310 . 1 1 118 118 LYS HB3 H 1 1.913 0.008 . 1 . . . . 115 Lys HB3 . 25263 1 1311 . 1 1 118 118 LYS HG2 H 1 1.499 0.008 . 1 . . . . 115 Lys HG2 . 25263 1 1312 . 1 1 118 118 LYS HG3 H 1 1.499 0.008 . 1 . . . . 115 Lys HG3 . 25263 1 1313 . 1 1 118 118 LYS HD2 H 1 1.769 0.008 . 1 . . . . 115 Lys HD2 . 25263 1 1314 . 1 1 118 118 LYS HD3 H 1 1.769 0.008 . 1 . . . . 115 Lys HD3 . 25263 1 1315 . 1 1 118 118 LYS HE2 H 1 3.073 0.008 . 1 . . . . 115 Lys HE2 . 25263 1 1316 . 1 1 118 118 LYS HE3 H 1 3.073 0.008 . 1 . . . . 115 Lys HE3 . 25263 1 1317 . 1 1 118 118 LYS C C 13 174.563 0.16 . 1 . . . . 115 Lys C . 25263 1 1318 . 1 1 118 118 LYS CA C 13 55.979 0.16 . 1 . . . . 115 Lys CA . 25263 1 1319 . 1 1 118 118 LYS CB C 13 32.550 0.16 . 1 . . . . 115 Lys CB . 25263 1 1320 . 1 1 118 118 LYS CG C 13 24.212 0.16 . 1 . . . . 115 Lys CG . 25263 1 1321 . 1 1 118 118 LYS CD C 13 28.468 0.16 . 1 . . . . 115 Lys CD . 25263 1 1322 . 1 1 118 118 LYS CE C 13 41.328 0.16 . 1 . . . . 115 Lys CE . 25263 1 stop_ save_